smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CN1CC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081420 185091338 /nfs/dbraw/zinc/09/13/38/185091338.db2.gz GPKRRLPYRMJJOB-CABCVRRESA-N 1 1 288.395 0.581 10 0 CCAEMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093344628 349540370 /nfs/dbraw/zinc/54/03/70/349540370.db2.gz MARNBIKVWBFKLO-SRVKXCTJSA-N 1 1 258.362 0.230 10 0 CCAEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1C[C@@H]1COCCO1 ZINC000094433730 349567708 /nfs/dbraw/zinc/56/77/08/349567708.db2.gz LJYADTFWEUKXKP-MGPQQGTHSA-N 1 1 254.374 0.960 10 0 CCAEMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H]1COCCO1 ZINC000094433730 349567710 /nfs/dbraw/zinc/56/77/10/349567710.db2.gz LJYADTFWEUKXKP-MGPQQGTHSA-N 1 1 254.374 0.960 10 0 CCAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C[C@@H]1COCCO1 ZINC000094433730 349567715 /nfs/dbraw/zinc/56/77/15/349567715.db2.gz LJYADTFWEUKXKP-MGPQQGTHSA-N 1 1 254.374 0.960 10 0 CCAEMO OC1(C[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)CCCC1 ZINC000408034442 137825664 /nfs/dbraw/zinc/82/56/64/137825664.db2.gz TYIXMGLBXIGAIY-CQSZACIVSA-N 1 1 280.372 0.410 10 0 CCAEMO CC(=O)NCCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105139610 349720548 /nfs/dbraw/zinc/72/05/48/349720548.db2.gz BOPIGVFGFFZEPV-CYBMUJFWSA-N 1 1 282.388 0.392 10 0 CCAEMO CNS(=O)(=O)CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000104100858 349708579 /nfs/dbraw/zinc/70/85/79/349708579.db2.gz DXTLWUWWQFQQHK-RYUDHWBXSA-N 1 1 276.402 0.569 10 0 CCAEMO CNS(=O)(=O)CCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000104100858 349708580 /nfs/dbraw/zinc/70/85/80/349708580.db2.gz DXTLWUWWQFQQHK-RYUDHWBXSA-N 1 1 276.402 0.569 10 0 CCAEMO Cc1nnc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)o1 ZINC000105822456 349724918 /nfs/dbraw/zinc/72/49/18/349724918.db2.gz RICOHCHLMRIRKV-NXEZZACHSA-N 1 1 254.334 0.265 10 0 CCAEMO CC[C@@H]1CN(Cc2nncn2C)CC[N@H+]1C[C@@H](C)O ZINC000105827915 349725380 /nfs/dbraw/zinc/72/53/80/349725380.db2.gz MGFZXVJFCPFRCZ-VXGBXAGGSA-N 1 1 267.377 0.092 10 0 CCAEMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882841 349726538 /nfs/dbraw/zinc/72/65/38/349726538.db2.gz VSISDFPJULVHRB-CYBMUJFWSA-N 1 1 279.388 0.859 10 0 CCAEMO O=C(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)NC1CC1 ZINC000105883084 349726772 /nfs/dbraw/zinc/72/67/72/349726772.db2.gz BFOQFOPYHTXJLM-LLVKDONJSA-N 1 1 263.345 0.269 10 0 CCAEMO CNC(=O)C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105909816 349727616 /nfs/dbraw/zinc/72/76/16/349727616.db2.gz RMZCBKBUEJFYRZ-LLVKDONJSA-N 1 1 263.345 0.123 10 0 CCAEMO CCOCC[N@@H+](CC)C[C@@H](O)CN1CCCC1=O ZINC000111691145 349774772 /nfs/dbraw/zinc/77/47/72/349774772.db2.gz HAJWRYAUEUWLST-GFCCVEGCSA-N 1 1 258.362 0.328 10 0 CCAEMO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C(N)=O ZINC000408059376 137830578 /nfs/dbraw/zinc/83/05/78/137830578.db2.gz CDNGPWKJSHSMBB-NOOOWODRSA-N 1 1 267.373 0.297 10 0 CCAEMO COC(=O)c1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)nc1 ZINC000113033987 349800346 /nfs/dbraw/zinc/80/03/46/349800346.db2.gz RJNQZOCXWJQOJN-GFCCVEGCSA-N 1 1 276.340 0.938 10 0 CCAEMO CCS(=O)(=O)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113227033 349805082 /nfs/dbraw/zinc/80/50/82/349805082.db2.gz DXBUWACLBOHIRJ-WDEREUQCSA-N 1 1 274.386 0.116 10 0 CCAEMO CCS(=O)(=O)CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113227033 349805085 /nfs/dbraw/zinc/80/50/85/349805085.db2.gz DXBUWACLBOHIRJ-WDEREUQCSA-N 1 1 274.386 0.116 10 0 CCAEMO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000113230082 349806157 /nfs/dbraw/zinc/80/61/57/349806157.db2.gz BFIYNOZSRCTZNO-ONGXEEELSA-N 1 1 292.339 0.617 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N(C)C ZINC000113596364 349816945 /nfs/dbraw/zinc/81/69/45/349816945.db2.gz QPGDEGLDEJZBTP-NWDGAFQWSA-N 1 1 282.388 0.343 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCn1cccn1 ZINC000114971296 349848388 /nfs/dbraw/zinc/84/83/88/349848388.db2.gz MYWLHHIWLVDMOZ-QWHCGFSZSA-N 1 1 277.372 0.761 10 0 CCAEMO COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321286 349867736 /nfs/dbraw/zinc/86/77/36/349867736.db2.gz RDMWLHHFLVZNPU-OLZOCXBDSA-N 1 1 294.399 0.751 10 0 CCAEMO C[C@H]1CN(C(=O)NCC2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175649639 290705806 /nfs/dbraw/zinc/70/58/06/290705806.db2.gz ZRQXBUYXBPPKQB-AAEUAGOBSA-N 1 1 267.373 0.759 10 0 CCAEMO CCOCCN1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000117280547 349882615 /nfs/dbraw/zinc/88/26/15/349882615.db2.gz YJXXZPJDBHFMDE-CQSZACIVSA-N 1 1 285.432 0.896 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCOC2)C[C@H]1C ZINC000117277266 349882735 /nfs/dbraw/zinc/88/27/35/349882735.db2.gz LVGZKIPLQARGHO-CHWSQXEVSA-N 1 1 270.373 0.592 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCOC2)C[C@H]1C ZINC000117277266 349882737 /nfs/dbraw/zinc/88/27/37/349882737.db2.gz LVGZKIPLQARGHO-CHWSQXEVSA-N 1 1 270.373 0.592 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)c2cccn2C)C[C@@H]1C ZINC000117292874 349883326 /nfs/dbraw/zinc/88/33/26/349883326.db2.gz VRMRFADDULIUCB-LBPRGKRZSA-N 1 1 265.357 0.818 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)c2cccn2C)C[C@@H]1C ZINC000117292874 349883329 /nfs/dbraw/zinc/88/33/29/349883329.db2.gz VRMRFADDULIUCB-LBPRGKRZSA-N 1 1 265.357 0.818 10 0 CCAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(C1CC1)C1CC1 ZINC000328500469 334946409 /nfs/dbraw/zinc/94/64/09/334946409.db2.gz WZUBWLPPPRTTHY-RNCFNFMXSA-N 1 1 252.358 0.916 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)NCc2cnn(C)c2)C[C@H]1C ZINC000117484401 349886820 /nfs/dbraw/zinc/88/68/20/349886820.db2.gz KDCPNNBHXSYFPF-GFCCVEGCSA-N 1 1 295.387 0.282 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)NCc2cnn(C)c2)C[C@H]1C ZINC000117484401 349886821 /nfs/dbraw/zinc/88/68/21/349886821.db2.gz KDCPNNBHXSYFPF-GFCCVEGCSA-N 1 1 295.387 0.282 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)C[C@H]1C ZINC000246044302 290105449 /nfs/dbraw/zinc/10/54/49/290105449.db2.gz PINZBKQBLSJISW-VOAKCMCISA-N 1 1 270.373 0.467 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)C[C@H]1C ZINC000246044302 290105450 /nfs/dbraw/zinc/10/54/50/290105450.db2.gz PINZBKQBLSJISW-VOAKCMCISA-N 1 1 270.373 0.467 10 0 CCAEMO C[C@H]1C[N@@H+](Cc2cccnc2N)C[C@@H]1N1CCOCC1 ZINC000295119127 199355384 /nfs/dbraw/zinc/35/53/84/199355384.db2.gz WNUUQKGROHQLDA-JSGCOSHPSA-N 1 1 276.384 0.816 10 0 CCAEMO C[N@@H+](CCCO)C1CCN([C@H]2CCCCNC2=O)CC1 ZINC000120226393 349975230 /nfs/dbraw/zinc/97/52/30/349975230.db2.gz MFYDJOXLVFZTRP-AWEZNQCLSA-N 1 1 283.416 0.434 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNC(N)=O ZINC000246462656 136979781 /nfs/dbraw/zinc/97/97/81/136979781.db2.gz AISBTRKPSDRYJR-QWRGUYRKSA-N 1 1 268.361 0.130 10 0 CCAEMO COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC000249744719 137000526 /nfs/dbraw/zinc/00/05/26/137000526.db2.gz ZASWBIDRSVKAGK-WDEREUQCSA-N 1 1 261.362 0.903 10 0 CCAEMO CCO[C@@H]1C[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C12CCC2 ZINC000262650954 137049048 /nfs/dbraw/zinc/04/90/48/137049048.db2.gz WXXIVRCCCLADHS-IJLUTSLNSA-N 1 1 268.357 0.439 10 0 CCAEMO NC(=O)[C@]1(O)CCC[N@@H+](CCOc2ccccc2F)C1 ZINC000312648871 137077395 /nfs/dbraw/zinc/07/73/95/137077395.db2.gz KOXNKPRSHINPPR-AWEZNQCLSA-N 1 1 282.315 0.517 10 0 CCAEMO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)n1cncn1 ZINC000332783785 137081043 /nfs/dbraw/zinc/08/10/43/137081043.db2.gz LWTHBBCOODPAMT-RYUDHWBXSA-N 1 1 277.372 0.972 10 0 CCAEMO C[C@H](Cn1cncn1)NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000332841521 137081323 /nfs/dbraw/zinc/08/13/23/137081323.db2.gz NIIGYKSRHGVLSI-UPJWGTAASA-N 1 1 292.387 0.402 10 0 CCAEMO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000034938686 348152916 /nfs/dbraw/zinc/15/29/16/348152916.db2.gz SQZIVLSOPCINKS-UWVGGRQHSA-N 1 1 276.402 0.456 10 0 CCAEMO CC[C@@H]1CN(C[C@](C)(NC)C(=O)OC)CC[N@H+]1C ZINC000104136051 185905176 /nfs/dbraw/zinc/90/51/76/185905176.db2.gz RAZRQRNTPQZJLO-YPMHNXCESA-N 1 1 257.378 0.164 10 0 CCAEMO Cc1cc(C[C@H](C)NC(=O)CN2CCC[N@@H+](C)CC2)[nH]n1 ZINC000065385408 348712691 /nfs/dbraw/zinc/71/26/91/348712691.db2.gz GMKVXMZUPHERHB-LBPRGKRZSA-N 1 1 293.415 0.403 10 0 CCAEMO Cc1cc(C[C@H](C)NC(=O)CN2CCC[N@H+](C)CC2)n[nH]1 ZINC000065385408 348712696 /nfs/dbraw/zinc/71/26/96/348712696.db2.gz GMKVXMZUPHERHB-LBPRGKRZSA-N 1 1 293.415 0.403 10 0 CCAEMO Cc1cc(C[C@H](C)NC(=O)CN2CCC[N@@H+](C)CC2)n[nH]1 ZINC000065385408 348712700 /nfs/dbraw/zinc/71/27/00/348712700.db2.gz GMKVXMZUPHERHB-LBPRGKRZSA-N 1 1 293.415 0.403 10 0 CCAEMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC1 ZINC000067457169 348774811 /nfs/dbraw/zinc/77/48/11/348774811.db2.gz CDUJOECPFWDSRS-LLVKDONJSA-N 1 1 253.346 0.160 10 0 CCAEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N(C)C1CC1 ZINC000067457169 348774815 /nfs/dbraw/zinc/77/48/15/348774815.db2.gz CDUJOECPFWDSRS-LLVKDONJSA-N 1 1 253.346 0.160 10 0 CCAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c[nH]cn2)C1 ZINC000070417220 348887457 /nfs/dbraw/zinc/88/74/57/348887457.db2.gz DSBDHGIQYOEKAV-SECBINFHSA-N 1 1 258.347 0.172 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c[nH]cn2)C1 ZINC000070417220 348887458 /nfs/dbraw/zinc/88/74/58/348887458.db2.gz DSBDHGIQYOEKAV-SECBINFHSA-N 1 1 258.347 0.172 10 0 CCAEMO OCCC[C@H]1CCC[N@H+]1CCCN1CCOCC1 ZINC000075684618 349046767 /nfs/dbraw/zinc/04/67/67/349046767.db2.gz AVVDLEOYAMJWEV-CQSZACIVSA-N 1 1 256.390 0.946 10 0 CCAEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CCOCCO ZINC000076007919 349063441 /nfs/dbraw/zinc/06/34/41/349063441.db2.gz OENPRUQFPLHVGF-LBPRGKRZSA-N 1 1 288.388 0.984 10 0 CCAEMO CC[C@H](NC(=O)[C@H]1COCC[NH2+]1)c1nccs1 ZINC000088372636 349364619 /nfs/dbraw/zinc/36/46/19/349364619.db2.gz KUGKIMVJGJIMNO-DTWKUNHWSA-N 1 1 255.343 0.699 10 0 CCAEMO CC[C@H](NC(=O)[C@@H]1COCC[NH2+]1)c1nccs1 ZINC000088372634 349364947 /nfs/dbraw/zinc/36/49/47/349364947.db2.gz KUGKIMVJGJIMNO-IUCAKERBSA-N 1 1 255.343 0.699 10 0 CCAEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCC(=O)N1CCOCC1 ZINC000120963186 350015032 /nfs/dbraw/zinc/01/50/32/350015032.db2.gz ZUSBKTSPDYIQJV-TXEJJXNPSA-N 1 1 256.346 0.345 10 0 CCAEMO COc1c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(C)nn1C ZINC000121036061 350018753 /nfs/dbraw/zinc/01/87/53/350018753.db2.gz ATWOZAYSCMGKJR-ZDUSSCGKSA-N 1 1 294.399 0.644 10 0 CCAEMO Cc1nc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000123659481 350080015 /nfs/dbraw/zinc/08/00/15/350080015.db2.gz SFYACYNAJZJLHL-WPRPVWTQSA-N 1 1 250.302 0.687 10 0 CCAEMO C[C@H]1CN(C(=O)Nc2ccnn2C)C[C@H]1[NH+]1CCOCC1 ZINC000125672627 350127474 /nfs/dbraw/zinc/12/74/74/350127474.db2.gz MHHZEZRQHZCKCE-NWDGAFQWSA-N 1 1 293.371 0.605 10 0 CCAEMO Cn1ncnc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128429398 350192935 /nfs/dbraw/zinc/19/29/35/350192935.db2.gz FQWSSNPFHYGUPQ-YPMHNXCESA-N 1 1 250.346 0.942 10 0 CCAEMO Cn1ncnc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128429398 350192937 /nfs/dbraw/zinc/19/29/37/350192937.db2.gz FQWSSNPFHYGUPQ-YPMHNXCESA-N 1 1 250.346 0.942 10 0 CCAEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC(=O)NC1CC1 ZINC000128523756 350194785 /nfs/dbraw/zinc/19/47/85/350194785.db2.gz WZRKTVJLMJYHGQ-XHDPSFHLSA-N 1 1 295.383 0.602 10 0 CCAEMO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000129597507 350217767 /nfs/dbraw/zinc/21/77/67/350217767.db2.gz OOQGCFMMVVNUIC-JQWIXIFHSA-N 1 1 253.346 0.653 10 0 CCAEMO C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1N1CCOCC1 ZINC000130254495 350233236 /nfs/dbraw/zinc/23/32/36/350233236.db2.gz ZJEINLYCXAKRKD-OCCSQVGLSA-N 1 1 264.373 0.573 10 0 CCAEMO CC[N@@H+]1CCO[C@H](CNc2cncc(C(=O)OC)n2)C1 ZINC000130318900 350234854 /nfs/dbraw/zinc/23/48/54/350234854.db2.gz PLXPXPHUJZOXEJ-SNVBAGLBSA-N 1 1 280.328 0.396 10 0 CCAEMO CC[N@H+]1CCO[C@H](CNc2cncc(C(=O)OC)n2)C1 ZINC000130318900 350234857 /nfs/dbraw/zinc/23/48/57/350234857.db2.gz PLXPXPHUJZOXEJ-SNVBAGLBSA-N 1 1 280.328 0.396 10 0 CCAEMO Cc1ccc([C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CCO2)o1 ZINC000134166528 350356080 /nfs/dbraw/zinc/35/60/80/350356080.db2.gz LSACIMMHPVHTTG-ZIAGYGMSSA-N 1 1 294.351 0.819 10 0 CCAEMO Cc1ccc([C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CCO2)o1 ZINC000134166528 350356081 /nfs/dbraw/zinc/35/60/81/350356081.db2.gz LSACIMMHPVHTTG-ZIAGYGMSSA-N 1 1 294.351 0.819 10 0 CCAEMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NCC(F)(F)F ZINC000134270067 350359070 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ZINC000194535415 351874130 /nfs/dbraw/zinc/87/41/30/351874130.db2.gz LJJHUWIEKLEOKQ-TXEJJXNPSA-N 1 1 264.373 0.731 10 0 CCAEMO NC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515676 351916240 /nfs/dbraw/zinc/91/62/40/351916240.db2.gz GOTKMNZHVLIHHY-SNVBAGLBSA-N 1 1 277.328 0.010 10 0 CCAEMO CN(C)C(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515678 351916467 /nfs/dbraw/zinc/91/64/67/351916467.db2.gz LZHQHPFRZIJIQZ-LBPRGKRZSA-N 1 1 262.357 0.904 10 0 CCAEMO NC1=NC(=O)[C@]2(CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000228587098 352077615 /nfs/dbraw/zinc/07/76/15/352077615.db2.gz SDLBPMYGFOLOOW-CQSZACIVSA-N 1 1 259.309 0.893 10 0 CCAEMO NC1=NC(=O)[C@]2(CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000228587098 352077617 /nfs/dbraw/zinc/07/76/17/352077617.db2.gz SDLBPMYGFOLOOW-CQSZACIVSA-N 1 1 259.309 0.893 10 0 CCAEMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1COCCN1 ZINC000237078697 352242447 /nfs/dbraw/zinc/24/24/47/352242447.db2.gz XNJJZUSDQLUODS-STQMWFEESA-N 1 1 269.389 0.308 10 0 CCAEMO CCO[C@H](CCNC(=O)[C@@H]1COCC[NH2+]1)C(C)C ZINC000236942488 352230800 /nfs/dbraw/zinc/23/08/00/352230800.db2.gz WMLAOFDQHXAQMN-NWDGAFQWSA-N 1 1 258.362 0.542 10 0 CCAEMO C[C@@H]1CN(C2CCN(C(=O)C3([NH3+])CCCC3)CC2)CCO1 ZINC000237397797 352263093 /nfs/dbraw/zinc/26/30/93/352263093.db2.gz PULBUXMYAABWGP-CYBMUJFWSA-N 1 1 295.427 0.970 10 0 CCAEMO C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)c1nc(C(C)(C)C)no1 ZINC000237462797 352266332 /nfs/dbraw/zinc/26/63/32/352266332.db2.gz XZECGBFRZDVKLA-IUCAKERBSA-N 1 1 282.344 0.533 10 0 CCAEMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2COCCN2)C1 ZINC000237508983 352268768 /nfs/dbraw/zinc/26/87/68/352268768.db2.gz DVIIWZKOHWSWKH-ZNMIVQPWSA-N 1 1 297.443 0.849 10 0 CCAEMO C[C@H](C(N)=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245385378 352318266 /nfs/dbraw/zinc/31/82/66/352318266.db2.gz CGWKHCIUZFUMJK-FRRDWIJNSA-N 1 1 283.416 0.681 10 0 CCAEMO C[C@H](C(N)=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245385378 352318268 /nfs/dbraw/zinc/31/82/68/352318268.db2.gz CGWKHCIUZFUMJK-FRRDWIJNSA-N 1 1 283.416 0.681 10 0 CCAEMO CCS(=O)(=O)NCCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000245506027 352326054 /nfs/dbraw/zinc/32/60/54/352326054.db2.gz GSTPTMXXQJTJLH-ZDUSSCGKSA-N 1 1 289.445 0.486 10 0 CCAEMO C[C@@H](CN1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245998101 352343580 /nfs/dbraw/zinc/34/35/80/352343580.db2.gz ITUIJMZFOFQEHF-GJZGRUSLSA-N 1 1 267.417 0.877 10 0 CCAEMO CC(C)NC(=O)NC(=O)[C@H](C)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246157788 352350867 /nfs/dbraw/zinc/35/08/67/352350867.db2.gz HJDRVZMIABVEQM-STQMWFEESA-N 1 1 296.415 0.779 10 0 CCAEMO CC(C)NC(=O)CC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246328503 352360709 /nfs/dbraw/zinc/36/07/09/352360709.db2.gz DLXUVWQOJRJFES-UONOGXRCSA-N 1 1 283.416 0.554 10 0 CCAEMO Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](CO)C3)C2=O)n(C)n1 ZINC000246325674 352361038 /nfs/dbraw/zinc/36/10/38/352361038.db2.gz KUKTUFRSUVEIQT-VXGBXAGGSA-N 1 1 278.356 0.148 10 0 CCAEMO Cc1cc(N2CC[C@@H]([N@H+]3CC[C@@H](CO)C3)C2=O)n(C)n1 ZINC000246325674 352361042 /nfs/dbraw/zinc/36/10/42/352361042.db2.gz KUKTUFRSUVEIQT-VXGBXAGGSA-N 1 1 278.356 0.148 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246449736 352367664 /nfs/dbraw/zinc/36/76/64/352367664.db2.gz ONDONLHCKSROFE-OLZOCXBDSA-N 1 1 284.404 0.101 10 0 CCAEMO CCC[C@@H](NC(N)=O)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246459410 352367845 /nfs/dbraw/zinc/36/78/45/352367845.db2.gz LZSQWCZEKNXWDC-IJLUTSLNSA-N 1 1 282.388 0.519 10 0 CCAEMO CSCCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246616956 352375358 /nfs/dbraw/zinc/37/53/58/352375358.db2.gz CRLGAIOMKHJMKP-MNOVXSKESA-N 1 1 260.403 0.653 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC000246653268 352377388 /nfs/dbraw/zinc/37/73/88/352377388.db2.gz GMKQQQKNTYHEQL-MNOVXSKESA-N 1 1 251.330 0.542 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC000246653268 352377392 /nfs/dbraw/zinc/37/73/92/352377392.db2.gz GMKQQQKNTYHEQL-MNOVXSKESA-N 1 1 251.330 0.542 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1cnn(C)c1 ZINC000247123814 352400589 /nfs/dbraw/zinc/40/05/89/352400589.db2.gz JDVYLZJJRSBYFP-AAEUAGOBSA-N 1 1 262.357 0.658 10 0 CCAEMO COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246887104 352386842 /nfs/dbraw/zinc/38/68/42/352386842.db2.gz VCYAEPDVERBRMX-RYUDHWBXSA-N 1 1 284.356 0.167 10 0 CCAEMO CCCN(C)S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246938447 352389558 /nfs/dbraw/zinc/38/95/58/352389558.db2.gz JYQGSTWUOBDKNO-NSHDSACASA-N 1 1 261.391 0.353 10 0 CCAEMO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247033778 352394758 /nfs/dbraw/zinc/39/47/58/352394758.db2.gz DGSVBIZTXOPTPZ-NEPJUHHUSA-N 1 1 282.388 0.389 10 0 CCAEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000247032967 352395447 /nfs/dbraw/zinc/39/54/47/352395447.db2.gz ZWNLIFBICHIQAC-GWCFXTLKSA-N 1 1 290.367 0.670 10 0 CCAEMO NC(=O)[C@H](c1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246265166 352357937 /nfs/dbraw/zinc/35/79/37/352357937.db2.gz GTFYOYQSAURSPY-KBPBESRZSA-N 1 1 259.353 0.993 10 0 CCAEMO CCOCC[N@@H+]1CCN(CC(=O)N(CC)CC)C[C@@H]1C ZINC000247370934 352411297 /nfs/dbraw/zinc/41/12/97/352411297.db2.gz USGGGJLDUDFZBC-AWEZNQCLSA-N 1 1 285.432 0.897 10 0 CCAEMO CCOCC[N@H+]1CCN(CC(=O)N(CC)CC)C[C@@H]1C ZINC000247370934 352411302 /nfs/dbraw/zinc/41/13/02/352411302.db2.gz USGGGJLDUDFZBC-AWEZNQCLSA-N 1 1 285.432 0.897 10 0 CCAEMO Cc1nn(C)c(C)c1CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247383763 352412286 /nfs/dbraw/zinc/41/22/86/352412286.db2.gz WGBMPIBUJRXTSD-RYUDHWBXSA-N 1 1 280.416 0.924 10 0 CCAEMO CC(=O)NCCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247405965 352413080 /nfs/dbraw/zinc/41/30/80/352413080.db2.gz PSJOZSKDJOJDFR-YPMHNXCESA-N 1 1 282.388 0.391 10 0 CCAEMO CCOC(=O)[C@H](C)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000247397294 352413207 /nfs/dbraw/zinc/41/32/07/352413207.db2.gz XYAIWCOHQUWIRQ-RYUDHWBXSA-N 1 1 258.362 0.591 10 0 CCAEMO CC[C@@H]1CN(Cc2ncc[nH]2)CC[N@H+]1C[C@H](C)O ZINC000247478583 352416870 /nfs/dbraw/zinc/41/68/70/352416870.db2.gz FGLLJZVNRSKRLY-NWDGAFQWSA-N 1 1 252.362 0.687 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(C)COC1 ZINC000247524569 352419038 /nfs/dbraw/zinc/41/90/38/352419038.db2.gz WZAVUXZIIVTICW-RYUDHWBXSA-N 1 1 267.373 0.901 10 0 CCAEMO Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)no1 ZINC000247539943 352420483 /nfs/dbraw/zinc/42/04/83/352420483.db2.gz PAKICSFNEGNYGD-ZJUUUORDSA-N 1 1 282.344 0.902 10 0 CCAEMO Cc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)no1 ZINC000247539943 352420486 /nfs/dbraw/zinc/42/04/86/352420486.db2.gz PAKICSFNEGNYGD-ZJUUUORDSA-N 1 1 282.344 0.902 10 0 CCAEMO Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@](C)(O)C3)C2=O)n1 ZINC000248332034 352434865 /nfs/dbraw/zinc/43/48/65/352434865.db2.gz FEHKWLYPYYJSJJ-FZMZJTMJSA-N 1 1 278.356 0.372 10 0 CCAEMO O=C1O[C@H](C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CN1c1ccccc1 ZINC000248401171 352439026 /nfs/dbraw/zinc/43/90/26/352439026.db2.gz YXPBKIPMNQCQLO-HZSPNIEDSA-N 1 1 292.335 0.439 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC000247177551 352402249 /nfs/dbraw/zinc/40/22/49/352402249.db2.gz KVYDBJFOFDAQSI-NEPJUHHUSA-N 1 1 293.367 0.221 10 0 CCAEMO COCCN1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1C ZINC000247207009 352403596 /nfs/dbraw/zinc/40/35/96/352403596.db2.gz PKVUKXHPEPHNQJ-UONOGXRCSA-N 1 1 288.432 0.815 10 0 CCAEMO COCC[N@@H+]1CCN(C[C@@H](O)COC(C)(C)C)C[C@@H]1C ZINC000247207009 352403601 /nfs/dbraw/zinc/40/36/01/352403601.db2.gz PKVUKXHPEPHNQJ-UONOGXRCSA-N 1 1 288.432 0.815 10 0 CCAEMO COCC[N@H+]1CCN(C[C@@H](O)COC(C)(C)C)C[C@@H]1C ZINC000247207009 352403602 /nfs/dbraw/zinc/40/36/02/352403602.db2.gz PKVUKXHPEPHNQJ-UONOGXRCSA-N 1 1 288.432 0.815 10 0 CCAEMO CCCCNC(=O)[C@H](C)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247190796 352404110 /nfs/dbraw/zinc/40/41/10/352404110.db2.gz ODMRMBAFTFYKRC-MJBXVCDLSA-N 1 1 285.432 0.678 10 0 CCAEMO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247221644 352404702 /nfs/dbraw/zinc/40/47/02/352404702.db2.gz QOJFYQNCFRVRHK-OLZOCXBDSA-N 1 1 296.415 0.637 10 0 CCAEMO CCNC(=O)CCN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247248885 352405965 /nfs/dbraw/zinc/40/59/65/352405965.db2.gz TVLISGAGHMDVGS-STQMWFEESA-N 1 1 271.405 0.290 10 0 CCAEMO CCNC(=O)CC[N@@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247248885 352405969 /nfs/dbraw/zinc/40/59/69/352405969.db2.gz TVLISGAGHMDVGS-STQMWFEESA-N 1 1 271.405 0.290 10 0 CCAEMO CCNC(=O)CC[N@H+]1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000247248885 352405972 /nfs/dbraw/zinc/40/59/72/352405972.db2.gz TVLISGAGHMDVGS-STQMWFEESA-N 1 1 271.405 0.290 10 0 CCAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000247241080 352406330 /nfs/dbraw/zinc/40/63/30/352406330.db2.gz ZYJFBMGOWPYXRF-LSDHHAIUSA-N 1 1 289.383 0.914 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nccn(C)c1=O ZINC000248585030 352446742 /nfs/dbraw/zinc/44/67/42/352446742.db2.gz FYZCDFPYHLOGBY-QWRGUYRKSA-N 1 1 291.355 0.481 10 0 CCAEMO 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256.346 0.079 10 0 CCAEMO Cc1[nH+]ccn1-c1cncc(NC[C@@H]2COCCO2)n1 ZINC000329144289 202204147 /nfs/dbraw/zinc/20/41/47/202204147.db2.gz MVEWFIZHQOFEKN-LLVKDONJSA-N 1 1 275.312 0.798 10 0 CCAEMO C[C@@H](C[N@H+]1CCCC[C@@H](CO)C1)CS(C)(=O)=O ZINC000365947668 357177369 /nfs/dbraw/zinc/17/73/69/357177369.db2.gz RLZMYYIYYFTTEE-NWDGAFQWSA-N 1 1 263.403 0.762 10 0 CCAEMO CC(C)[C@]1(CO)CC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000368002081 357305340 /nfs/dbraw/zinc/30/53/40/357305340.db2.gz ZXHSUDARVPHYKC-OAHLLOKOSA-N 1 1 283.416 0.101 10 0 CCAEMO Cc1c[nH]nc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000377407998 357571724 /nfs/dbraw/zinc/57/17/24/357571724.db2.gz CYMHQEYMRQGHPE-OAHLLOKOSA-N 1 1 294.399 0.689 10 0 CCAEMO COC(=O)[C@@H]1CCCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000382289463 357712759 /nfs/dbraw/zinc/71/27/59/357712759.db2.gz IMCBJKVREFJGMK-OLZOCXBDSA-N 1 1 272.389 0.715 10 0 CCAEMO CC[N@H+]1CC[C@H](Nc2cnc(C(=O)OC)cn2)C1 ZINC000389283056 357735983 /nfs/dbraw/zinc/73/59/83/357735983.db2.gz 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ZINC000317520928 260245217 /nfs/dbraw/zinc/24/52/17/260245217.db2.gz VTQWDZARMQXSGX-NHYWBVRUSA-N 1 1 275.352 0.841 10 0 CCAEMO CC[N@@H+](C)CCNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408155803 276071425 /nfs/dbraw/zinc/07/14/25/276071425.db2.gz WMXJKRARSGXCDW-TXEJJXNPSA-N 1 1 277.434 0.750 10 0 CCAEMO CC[N@@H+](CC(=O)N1CCO[C@H](Cn2cccn2)C1)C1CC1 ZINC000152476305 276081445 /nfs/dbraw/zinc/08/14/45/276081445.db2.gz SQPQWUSVPXVGLS-AWEZNQCLSA-N 1 1 292.383 0.595 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@]12CCOC2=O ZINC000187259432 276171753 /nfs/dbraw/zinc/17/17/53/276171753.db2.gz KIFCZVXOAVEHFV-DOMZBBRYSA-N 1 1 295.383 0.962 10 0 CCAEMO CCOc1nnc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)s1 ZINC000408038007 276386691 /nfs/dbraw/zinc/38/66/91/276386691.db2.gz JGAGTGJVFDNSST-GHMZBOCLSA-N 1 1 298.412 0.842 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC2(C)CCOCC2)[N@@H+](C)C1 ZINC000408050713 277346961 /nfs/dbraw/zinc/34/69/61/277346961.db2.gz FOEZZOFRYBAZNH-QWRGUYRKSA-N 1 1 256.346 0.391 10 0 CCAEMO C[C@H](C(=O)N1CCCCC1)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247117459 278137162 /nfs/dbraw/zinc/13/71/62/278137162.db2.gz JJXZNVYVBSTFHU-QLFBSQMISA-N 1 1 297.443 0.774 10 0 CCAEMO CSC[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000135470763 278139700 /nfs/dbraw/zinc/13/97/00/278139700.db2.gz YDIJPEABRFHFDW-NWDGAFQWSA-N 1 1 299.440 0.538 10 0 CCAEMO C[C@@H](C(=O)N1CCCC[C@@H]1c1nnc[nH]1)[C@H](C)[NH3+] ZINC000192127061 278189398 /nfs/dbraw/zinc/18/93/98/278189398.db2.gz UWQSDMMKISYTDU-KXUCPTDWSA-N 1 1 251.334 0.842 10 0 CCAEMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCNC(=O)CC2)C1 ZINC000105127636 278342079 /nfs/dbraw/zinc/34/20/79/278342079.db2.gz CWKXAINFQPJWBV-LBPRGKRZSA-N 1 1 282.388 0.250 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)N2CCSCC2)[C@@H](C)C1 ZINC000335071806 278397295 /nfs/dbraw/zinc/39/72/95/278397295.db2.gz ZKOJHXNBVRERBC-NWDGAFQWSA-N 1 1 287.429 0.542 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)N2CCSCC2)[C@@H](C)C1 ZINC000335071806 278397296 /nfs/dbraw/zinc/39/72/96/278397296.db2.gz ZKOJHXNBVRERBC-NWDGAFQWSA-N 1 1 287.429 0.542 10 0 CCAEMO C[C@H]1CN(C(=O)NC2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000177233023 278399387 /nfs/dbraw/zinc/39/93/87/278399387.db2.gz OTDGPVWMFZTRMG-CMPLNLGQSA-N 1 1 253.346 0.511 10 0 CCAEMO CC[N@@H+](CC(=O)N1CCNC[C@@H]1c1cnn(C)c1)C1CC1 ZINC000181440993 279051057 /nfs/dbraw/zinc/05/10/57/279051057.db2.gz HHHBRPQLPWFAHL-CQSZACIVSA-N 1 1 291.399 0.377 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCOCCOC ZINC000176981044 279324554 /nfs/dbraw/zinc/32/45/54/279324554.db2.gz BLIWZOCOHFEKDR-ZDUSSCGKSA-N 1 1 272.389 0.982 10 0 CCAEMO Cc1c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nnn1C ZINC000329703649 280212486 /nfs/dbraw/zinc/21/24/86/280212486.db2.gz ILFHRWCDMROQCO-KOLCDFICSA-N 1 1 263.345 0.432 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCCS(C)(=O)=O ZINC000246471289 281199875 /nfs/dbraw/zinc/19/98/75/281199875.db2.gz KKUVIEWJYSSAMQ-STQMWFEESA-N 1 1 274.430 0.980 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCCC1 ZINC000113518302 288305065 /nfs/dbraw/zinc/30/50/65/288305065.db2.gz DLMNKNCHCJBLAY-CHWSQXEVSA-N 1 1 251.374 0.777 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCN1C(=O)NC(C)(C)C1=O ZINC000113268012 288305515 /nfs/dbraw/zinc/30/55/15/288305515.db2.gz HYQIYCCELNZMOO-VXGBXAGGSA-N 1 1 294.399 0.485 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)CC ZINC000173362046 288311682 /nfs/dbraw/zinc/31/16/82/288311682.db2.gz FMAKRAVFCSYNND-NWDGAFQWSA-N 1 1 275.418 0.742 10 0 CCAEMO C[C@@H]1CNCCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333919014 288317951 /nfs/dbraw/zinc/31/79/51/288317951.db2.gz ORGOIPUJECLTHJ-FDYHWXHSSA-N 1 1 266.389 0.378 10 0 CCAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000329241812 289038686 /nfs/dbraw/zinc/03/86/86/289038686.db2.gz RZMZYQIKHPZQPC-YIYPIFLZSA-N 1 1 296.411 0.905 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2(C)CCCO2)C[C@@H]1C ZINC000408110720 290106971 /nfs/dbraw/zinc/10/69/71/290106971.db2.gz UNUHKPDBBWWWPD-SGMGOOAPSA-N 1 1 270.373 0.469 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2(C)CCCO2)C[C@@H]1C ZINC000408110720 290106974 /nfs/dbraw/zinc/10/69/74/290106974.db2.gz UNUHKPDBBWWWPD-SGMGOOAPSA-N 1 1 270.373 0.469 10 0 CCAEMO NC(=O)NC(=O)CCC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178690786 295069157 /nfs/dbraw/zinc/06/91/57/295069157.db2.gz KCMXVUQTWOBLFJ-FZMZJTMJSA-N 1 1 283.372 0.589 10 0 CCAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401798636 545090523 /nfs/dbraw/zinc/09/05/23/545090523.db2.gz LBVLQQQIKQLLKS-UONOGXRCSA-N 1 1 275.389 0.637 10 0 CCAEMO C[C@H]1CC[C@@H](O)C[N@H+]1CCCS(=O)(=O)N(C)C ZINC000420999464 300043336 /nfs/dbraw/zinc/04/33/36/300043336.db2.gz ANECWWAFXDWXIS-WDEREUQCSA-N 1 1 264.391 0.113 10 0 CCAEMO NC(=O)[C@]1(O)CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403729868 545091026 /nfs/dbraw/zinc/09/10/26/545091026.db2.gz KCZJRDLFXHWTKM-NMKXLXIOSA-N 1 1 252.358 0.735 10 0 CCAEMO CN1CCN([C@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959976 330384058 /nfs/dbraw/zinc/38/40/58/330384058.db2.gz NCMJAQJSNOPTFI-CHWSQXEVSA-N 1 1 283.416 0.554 10 0 CCAEMO CC(=O)NCCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177224696 335368631 /nfs/dbraw/zinc/36/86/31/335368631.db2.gz BTWJPUUIUHCBFK-JSGCOSHPSA-N 1 1 269.389 0.165 10 0 CCAEMO CCOC(=O)C[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061645453 520869189 /nfs/dbraw/zinc/86/91/89/520869189.db2.gz CXZWDBNSTDBDPL-ZDUSSCGKSA-N 1 1 271.405 0.507 10 0 CCAEMO CCNCc1cn(CCOC2CC[NH+](C)CC2)nn1 ZINC000052596721 520012560 /nfs/dbraw/zinc/01/25/60/520012560.db2.gz WLUAAWNQXICJMZ-UHFFFAOYSA-N 1 1 267.377 0.498 10 0 CCAEMO CCOC(=O)[C@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156644873 521198523 /nfs/dbraw/zinc/19/85/23/521198523.db2.gz IOGQWESWRATSIN-JTQLQIEISA-N 1 1 252.318 0.867 10 0 CCAEMO COC(=O)[C@H]([NH3+])CCSc1ncnc2[nH]cnc21 ZINC000062602603 523912671 /nfs/dbraw/zinc/91/26/71/523912671.db2.gz QFCPXSBPFMKDKS-ZCFIWIBFSA-N 1 1 267.314 0.335 10 0 CCAEMO Cc1cc(N2CC[NH+](CCO)CC2)nc(Cl)n1 ZINC000052814353 525079758 /nfs/dbraw/zinc/07/97/58/525079758.db2.gz FGKCAXFRGZVFCF-UHFFFAOYSA-N 1 1 256.737 0.553 10 0 CCAEMO CCN1CCO[C@@H](C[NH2+]Cc2cc(C)n(C)n2)C1 ZINC000666264949 545118095 /nfs/dbraw/zinc/11/80/95/545118095.db2.gz FHNJAMGLTPHTTO-ZDUSSCGKSA-N 1 1 252.362 0.539 10 0 CCAEMO CC[N@@H+]1CCO[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC000666264949 545118096 /nfs/dbraw/zinc/11/80/96/545118096.db2.gz FHNJAMGLTPHTTO-ZDUSSCGKSA-N 1 1 252.362 0.539 10 0 CCAEMO CC[N@H+]1CCO[C@@H](CNCc2cc(C)n(C)n2)C1 ZINC000666264949 545118097 /nfs/dbraw/zinc/11/80/97/545118097.db2.gz FHNJAMGLTPHTTO-ZDUSSCGKSA-N 1 1 252.362 0.539 10 0 CCAEMO NC(=O)[C@@H](N)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000062437042 526954541 /nfs/dbraw/zinc/95/45/41/526954541.db2.gz MHPUGPLNABVYAU-ZDUSSCGKSA-N 1 1 262.357 0.011 10 0 CCAEMO CCOC(=O)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000675075308 545321027 /nfs/dbraw/zinc/32/10/27/545321027.db2.gz LPKUCZLPXFSDHU-UHFFFAOYSA-N 1 1 253.302 0.686 10 0 CCAEMO CCOC(=O)N1CCC(O)(C(F)(F)C[NH3+])CC1 ZINC000675074295 545321035 /nfs/dbraw/zinc/32/10/35/545321035.db2.gz SUJKANOPYCEZDG-UHFFFAOYSA-N 1 1 252.261 0.564 10 0 CCAEMO Cc1cc(CN[C@@H]2CCC[N@H+](CCO)C2)nn1C ZINC000676038744 545333882 /nfs/dbraw/zinc/33/38/82/545333882.db2.gz DDJNMZNMAUFKLS-GFCCVEGCSA-N 1 1 252.362 0.275 10 0 CCAEMO Cc1cc(CN[C@@H]2CCC[N@@H+](CCO)C2)nn1C ZINC000676038744 545333883 /nfs/dbraw/zinc/33/38/83/545333883.db2.gz DDJNMZNMAUFKLS-GFCCVEGCSA-N 1 1 252.362 0.275 10 0 CCAEMO COc1ccc(C[NH2+][C@@H]2CCNC2=O)c(OC)c1OC ZINC000676234940 545337668 /nfs/dbraw/zinc/33/76/68/545337668.db2.gz VEHIBILXMJVCCK-SNVBAGLBSA-N 1 1 280.324 0.691 10 0 CCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)C2CCC(O)CC2)CC1 ZINC000408285116 535986986 /nfs/dbraw/zinc/98/69/86/535986986.db2.gz CPYQVTGLOBCKDM-MOKVOYLWSA-N 1 1 284.400 0.453 10 0 CCAEMO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CN(C)CCO2)n1 ZINC000678256301 545387550 /nfs/dbraw/zinc/38/75/50/545387550.db2.gz HMLCYVNZNQPZPO-GFCCVEGCSA-N 1 1 265.357 0.858 10 0 CCAEMO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@](O)(C(N)=O)C1 ZINC000311850548 536358034 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0.067 10 0 CCAEMO COc1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2CO)nn1 ZINC000311078684 137073807 /nfs/dbraw/zinc/07/38/07/137073807.db2.gz FKYDMYIJIAZCAY-GHMZBOCLSA-N 1 1 253.302 0.067 10 0 CCAEMO CCOc1ccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000312269734 137076718 /nfs/dbraw/zinc/07/67/18/137076718.db2.gz IIAHYVDGECQUJP-OAHLLOKOSA-N 1 1 278.352 0.898 10 0 CCAEMO CCOc1ccccc1C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000312440133 137076748 /nfs/dbraw/zinc/07/67/48/137076748.db2.gz IXOFVLZZZWWBQI-HNNXBMFYSA-N 1 1 278.352 0.898 10 0 CCAEMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H](OC)C[C@H]1CO ZINC000312609140 137077491 /nfs/dbraw/zinc/07/74/91/137077491.db2.gz ZFYIYIOYSWVGQD-HZSPNIEDSA-N 1 1 284.400 0.859 10 0 CCAEMO CCN(CC)C(=O)C[N@H+]1C[C@H](OC)C[C@H]1COC ZINC000344377997 137191431 /nfs/dbraw/zinc/19/14/31/137191431.db2.gz YMOHAUCRTZQDMV-NWDGAFQWSA-N 1 1 258.362 0.591 10 0 CCAEMO CO[C@H]1C[C@H](CO)[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000344728709 137209944 /nfs/dbraw/zinc/20/99/44/137209944.db2.gz UNBFIKRWVFBFNK-OLZOCXBDSA-N 1 1 264.325 0.707 10 0 CCAEMO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000344728709 137209945 /nfs/dbraw/zinc/20/99/45/137209945.db2.gz UNBFIKRWVFBFNK-OLZOCXBDSA-N 1 1 264.325 0.707 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(N)nc2OC)C1 ZINC000033886075 348148167 /nfs/dbraw/zinc/14/81/67/348148167.db2.gz BTBPYLFRILOQDK-SECBINFHSA-N 1 1 279.344 0.282 10 0 CCAEMO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)NC(C)(C)C ZINC000034937537 348152640 /nfs/dbraw/zinc/15/26/40/348152640.db2.gz PXLCLEPXTNYNJW-IUCAKERBSA-N 1 1 262.375 0.066 10 0 CCAEMO CO[C@H]1C[C@H](CO)[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000344895135 137220448 /nfs/dbraw/zinc/22/04/48/137220448.db2.gz NEILYGLQJHDPNU-MNOVXSKESA-N 1 1 295.364 0.338 10 0 CCAEMO CO[C@H]1C[C@H](CO)[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000344895135 137220449 /nfs/dbraw/zinc/22/04/49/137220449.db2.gz NEILYGLQJHDPNU-MNOVXSKESA-N 1 1 295.364 0.338 10 0 CCAEMO CC(C)[C@@H](C)[NH+](CC(=O)NC1CC1)CC(=O)NC1CC1 ZINC000037176816 348185301 /nfs/dbraw/zinc/18/53/01/348185301.db2.gz ZELJYQWAEJTOAN-LLVKDONJSA-N 1 1 281.400 0.890 10 0 CCAEMO C[NH+](C)CCNCC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@@H]23 ZINC000039287497 348229154 /nfs/dbraw/zinc/22/91/54/348229154.db2.gz OWFOLSYZOUPZGY-IUODEOHRSA-N 1 1 273.380 0.791 10 0 CCAEMO O=C(C[N@H+]1CCC[C@H]1CCCO)NCC(F)(F)F ZINC000052761922 348513647 /nfs/dbraw/zinc/51/36/47/348513647.db2.gz DGBIZYSGQARAAQ-VIFPVBQESA-N 1 1 268.279 0.902 10 0 CCAEMO O=C(C[N@@H+]1CCC[C@H]1CCCO)NCC(F)(F)F ZINC000052761922 348513649 /nfs/dbraw/zinc/51/36/49/348513649.db2.gz DGBIZYSGQARAAQ-VIFPVBQESA-N 1 1 268.279 0.902 10 0 CCAEMO O=C(CN1CCC[N@H+](C2CC2)CC1)NCC(F)(F)F ZINC000061041010 348650714 /nfs/dbraw/zinc/65/07/14/348650714.db2.gz PCTBEKQSBNTZCC-UHFFFAOYSA-N 1 1 279.306 0.835 10 0 CCAEMO Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000061759336 348659038 /nfs/dbraw/zinc/65/90/38/348659038.db2.gz HXVFLPOJRSZEHY-SECBINFHSA-N 1 1 266.301 0.261 10 0 CCAEMO CC[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000071936876 348913598 /nfs/dbraw/zinc/91/35/98/348913598.db2.gz OCOKQOJLJMQJKN-NEPJUHHUSA-N 1 1 255.362 0.901 10 0 CCAEMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000121546065 350044575 /nfs/dbraw/zinc/04/45/75/350044575.db2.gz XCXDRARMYFLYJD-VXGBXAGGSA-N 1 1 293.367 0.856 10 0 CCAEMO COC(=O)C[C@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000127330111 350166556 /nfs/dbraw/zinc/16/65/56/350166556.db2.gz FRKOHENZVYYMGM-NWDGAFQWSA-N 1 1 268.357 0.882 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H](O)COC1CCOCC1 ZINC000127535629 350171736 /nfs/dbraw/zinc/17/17/36/350171736.db2.gz CLOHKBUFWOTKHA-KFWWJZLASA-N 1 1 298.427 0.711 10 0 CCAEMO Nc1nc(N)nc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)n1 ZINC000128433225 350192952 /nfs/dbraw/zinc/19/29/52/350192952.db2.gz QNIWCGFRGXLTKJ-VHSXEESVSA-N 1 1 288.359 0.506 10 0 CCAEMO CSC[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000128170747 350186436 /nfs/dbraw/zinc/18/64/36/350186436.db2.gz DACQMUDGJKNCQI-RYUDHWBXSA-N 1 1 272.414 0.797 10 0 CCAEMO CC(C)NC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000104866867 186029928 /nfs/dbraw/zinc/02/99/28/186029928.db2.gz UXZKCZZTXJVBDQ-LBPRGKRZSA-N 1 1 269.389 0.892 10 0 CCAEMO CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129636251 350218339 /nfs/dbraw/zinc/21/83/39/350218339.db2.gz DKFDQGRXLKBRTK-CYBMUJFWSA-N 1 1 282.432 0.128 10 0 CCAEMO O=C(NCCn1ccnc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105064577 186039985 /nfs/dbraw/zinc/03/99/85/186039985.db2.gz MCKAQJHPIUZOLP-ZDUSSCGKSA-N 1 1 277.372 0.763 10 0 CCAEMO O=C(NCC[NH2+]C1CCCCCC1)c1ncn[nH]1 ZINC000130116958 350230056 /nfs/dbraw/zinc/23/00/56/350230056.db2.gz QETYLVJREBCBDP-UHFFFAOYSA-N 1 1 251.334 0.847 10 0 CCAEMO O=C(NCC[NH2+]C1CCCCCC1)c1nc[nH]n1 ZINC000130116958 350230060 /nfs/dbraw/zinc/23/00/60/350230060.db2.gz QETYLVJREBCBDP-UHFFFAOYSA-N 1 1 251.334 0.847 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)C(=O)NC ZINC000130593106 350241806 /nfs/dbraw/zinc/24/18/06/350241806.db2.gz UWPHDNUOIBHHJD-LBPRGKRZSA-N 1 1 298.431 0.884 10 0 CCAEMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000130939303 350255349 /nfs/dbraw/zinc/25/53/49/350255349.db2.gz GYLOWDKTVBVOGB-NEPJUHHUSA-N 1 1 258.362 0.638 10 0 CCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccnn3C)CC2)CCO1 ZINC000132699613 350314956 /nfs/dbraw/zinc/31/49/56/350314956.db2.gz FBVSJNGZSJNKJD-GFCCVEGCSA-N 1 1 292.383 0.745 10 0 CCAEMO Cc1ccc(N2CCC[N@@H+](CCOCCO)CC2)nn1 ZINC000132945779 350320285 /nfs/dbraw/zinc/32/02/85/350320285.db2.gz OKDHMENTBCAPJZ-UHFFFAOYSA-N 1 1 280.372 0.306 10 0 CCAEMO CC[N@@H+](CC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)C1CC1 ZINC000132965633 350321285 /nfs/dbraw/zinc/32/12/85/350321285.db2.gz VWSAFSGZTSARFB-GFCCVEGCSA-N 1 1 293.371 0.497 10 0 CCAEMO CC[N@H+](CC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)C1CC1 ZINC000132965633 350321290 /nfs/dbraw/zinc/32/12/90/350321290.db2.gz VWSAFSGZTSARFB-GFCCVEGCSA-N 1 1 293.371 0.497 10 0 CCAEMO CC[N@@H+](CC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1)C1CC1 ZINC000132965633 350321295 /nfs/dbraw/zinc/32/12/95/350321295.db2.gz VWSAFSGZTSARFB-GFCCVEGCSA-N 1 1 293.371 0.497 10 0 CCAEMO CC[N@@H+]1CCO[C@H](CNC(=O)c2cc(OC)ccc2O)C1 ZINC000134687883 350372785 /nfs/dbraw/zinc/37/27/85/350372785.db2.gz PKMUBZSPCKTNSZ-GFCCVEGCSA-N 1 1 294.351 0.851 10 0 CCAEMO CC[N@H+]1CCO[C@H](CNC(=O)c2cc(OC)ccc2O)C1 ZINC000134687883 350372786 /nfs/dbraw/zinc/37/27/86/350372786.db2.gz PKMUBZSPCKTNSZ-GFCCVEGCSA-N 1 1 294.351 0.851 10 0 CCAEMO CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccccc2O)C1 ZINC000134705864 350373813 /nfs/dbraw/zinc/37/38/13/350373813.db2.gz LESOXYJOKKBBIE-ZDUSSCGKSA-N 1 1 278.352 0.772 10 0 CCAEMO CC[N@H+]1CCO[C@@H](CNC(=O)Cc2ccccc2O)C1 ZINC000134705864 350373815 /nfs/dbraw/zinc/37/38/15/350373815.db2.gz LESOXYJOKKBBIE-ZDUSSCGKSA-N 1 1 278.352 0.772 10 0 CCAEMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798253 186071730 /nfs/dbraw/zinc/07/17/30/186071730.db2.gz WPGOFYWKILFIBD-UHFFFAOYSA-N 1 1 291.399 0.857 10 0 CCAEMO CCN(CC)C(=O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798253 186071732 /nfs/dbraw/zinc/07/17/32/186071732.db2.gz WPGOFYWKILFIBD-UHFFFAOYSA-N 1 1 291.399 0.857 10 0 CCAEMO CC[N@H+]1CCC[C@H](Nc2ncnc(N)c2OC)C1 ZINC000134847700 350377757 /nfs/dbraw/zinc/37/77/57/350377757.db2.gz GFFXOQDPWXTCAR-VIFPVBQESA-N 1 1 251.334 0.964 10 0 CCAEMO CC(C)NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806200 186072200 /nfs/dbraw/zinc/07/22/00/186072200.db2.gz XGZHHJRTWBLLHY-UHFFFAOYSA-N 1 1 291.399 0.902 10 0 CCAEMO CC[C@H](C(N)=O)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105870084 186081197 /nfs/dbraw/zinc/08/11/97/186081197.db2.gz MFVWSJOPPUXNFZ-CYBMUJFWSA-N 1 1 279.388 0.192 10 0 CCAEMO CCOC(=O)CCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890795 186084245 /nfs/dbraw/zinc/08/42/45/186084245.db2.gz RXQLOAFEMSMGTP-ZDUSSCGKSA-N 1 1 281.356 0.927 10 0 CCAEMO CCOC(=O)CCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105890795 186084247 /nfs/dbraw/zinc/08/42/47/186084247.db2.gz RXQLOAFEMSMGTP-ZDUSSCGKSA-N 1 1 281.356 0.927 10 0 CCAEMO CCCCNC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000105833410 186076203 /nfs/dbraw/zinc/07/62/03/186076203.db2.gz MHWFLOFEDWAUCG-ZIAGYGMSSA-N 1 1 285.432 0.944 10 0 CCAEMO CCCCNC(=O)[C@@H](C)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000105833410 186076205 /nfs/dbraw/zinc/07/62/05/186076205.db2.gz MHWFLOFEDWAUCG-ZIAGYGMSSA-N 1 1 285.432 0.944 10 0 CCAEMO COCC[N@@H+]1CCN(CC(=O)N2CCCCC2)C[C@H]1C ZINC000105832281 186076371 /nfs/dbraw/zinc/07/63/71/186076371.db2.gz ZKANVNLDBZBLJG-CQSZACIVSA-N 1 1 283.416 0.651 10 0 CCAEMO COCC[N@H+]1CCN(CC(=O)N2CCCCC2)C[C@H]1C ZINC000105832281 186076372 /nfs/dbraw/zinc/07/63/72/186076372.db2.gz ZKANVNLDBZBLJG-CQSZACIVSA-N 1 1 283.416 0.651 10 0 CCAEMO CC[C@H]1CN(CCCNC(C)=O)CC[N@H+]1CCOC ZINC000105837293 186076559 /nfs/dbraw/zinc/07/65/59/186076559.db2.gz MMRGXARQXGTKNL-AWEZNQCLSA-N 1 1 271.405 0.555 10 0 CCAEMO CC[C@H]1C[N@H+](CCCNC(C)=O)CCN1CCOC ZINC000105837293 186076560 /nfs/dbraw/zinc/07/65/60/186076560.db2.gz MMRGXARQXGTKNL-AWEZNQCLSA-N 1 1 271.405 0.555 10 0 CCAEMO CC[C@H]1C[N@@H+](CCCNC(C)=O)CCN1CCOC ZINC000105837293 186076562 /nfs/dbraw/zinc/07/65/62/186076562.db2.gz MMRGXARQXGTKNL-AWEZNQCLSA-N 1 1 271.405 0.555 10 0 CCAEMO C[C@H]1C[N@@H+](C2CCN(C(=O)C3CC(=O)C3)CC2)CCO1 ZINC000137002629 350431748 /nfs/dbraw/zinc/43/17/48/350431748.db2.gz BYBHBOJGTTWFPW-NSHDSACASA-N 1 1 280.368 0.677 10 0 CCAEMO C[C@H]1C[N@H+](C2CCN(C(=O)C3CC(=O)C3)CC2)CCO1 ZINC000137002629 350431752 /nfs/dbraw/zinc/43/17/52/350431752.db2.gz BYBHBOJGTTWFPW-NSHDSACASA-N 1 1 280.368 0.677 10 0 CCAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000105904156 186087244 /nfs/dbraw/zinc/08/72/44/186087244.db2.gz KUGZMQKXYMLHCA-LLVKDONJSA-N 1 1 293.371 0.667 10 0 CCAEMO CNC(=O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922321 186091522 /nfs/dbraw/zinc/09/15/22/186091522.db2.gz XXKLNNCIMMOFON-NSHDSACASA-N 1 1 250.346 0.920 10 0 CCAEMO CNC(=O)C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105922321 186091523 /nfs/dbraw/zinc/09/15/23/186091523.db2.gz XXKLNNCIMMOFON-NSHDSACASA-N 1 1 250.346 0.920 10 0 CCAEMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000110345569 186293358 /nfs/dbraw/zinc/29/33/58/186293358.db2.gz WOPHEWBXRMATMN-KGLIPLIRSA-N 1 1 287.363 0.513 10 0 CCAEMO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000167399359 350809460 /nfs/dbraw/zinc/80/94/60/350809460.db2.gz KTMGLEJSTYDNPC-HUUCEWRRSA-N 1 1 295.427 0.699 10 0 CCAEMO O=c1[nH]nc2n1CC[N@@H+](Cc1ccccc1F)CC2 ZINC000169783076 350839825 /nfs/dbraw/zinc/83/98/25/350839825.db2.gz VQULPURXFTVXAW-UHFFFAOYSA-N 1 1 262.288 0.769 10 0 CCAEMO O=c1[nH]nc2n1CC[N@H+](Cc1ccccc1F)CC2 ZINC000169783076 350839828 /nfs/dbraw/zinc/83/98/28/350839828.db2.gz VQULPURXFTVXAW-UHFFFAOYSA-N 1 1 262.288 0.769 10 0 CCAEMO COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000170758382 350858088 /nfs/dbraw/zinc/85/80/88/350858088.db2.gz WPJAXMFNMHZOSN-RYUDHWBXSA-N 1 1 266.341 0.492 10 0 CCAEMO NS(=O)(=O)c1cccnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171880155 350939855 /nfs/dbraw/zinc/93/98/55/350939855.db2.gz NXRXUXCONXIXLA-SNVBAGLBSA-N 1 1 282.369 0.013 10 0 CCAEMO O=C1CCCN1CC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171619182 350921434 /nfs/dbraw/zinc/92/14/34/350921434.db2.gz WYMYLQNMHYFYJU-LBPRGKRZSA-N 1 1 263.345 0.537 10 0 CCAEMO NS(=O)(=O)CCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000170914535 350873091 /nfs/dbraw/zinc/87/30/91/350873091.db2.gz BPCRLSHDAAYTSE-GFCCVEGCSA-N 1 1 298.412 0.494 10 0 CCAEMO Cn1cnnc1SCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171027259 350878917 /nfs/dbraw/zinc/87/89/17/350878917.db2.gz AMYGKZPLQOVZRD-LLVKDONJSA-N 1 1 295.412 0.604 10 0 CCAEMO Cn1cnnc1SCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171027259 350878921 /nfs/dbraw/zinc/87/89/21/350878921.db2.gz AMYGKZPLQOVZRD-LLVKDONJSA-N 1 1 295.412 0.604 10 0 CCAEMO COCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000171197916 350893500 /nfs/dbraw/zinc/89/35/00/350893500.db2.gz ICACEROTMOFXHV-NWDGAFQWSA-N 1 1 273.377 0.431 10 0 CCAEMO CN(C)[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000172166660 350963029 /nfs/dbraw/zinc/96/30/29/350963029.db2.gz CPQFVFASPUFOQO-CQSZACIVSA-N 1 1 263.385 0.837 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)COC)C[C@H]1C ZINC000172488659 350987725 /nfs/dbraw/zinc/98/77/25/350987725.db2.gz JNYMNYLVINNHFE-CHWSQXEVSA-N 1 1 287.404 0.631 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)NC[C@@H](C)COC)C[C@H]1C ZINC000172488659 350987726 /nfs/dbraw/zinc/98/77/26/350987726.db2.gz JNYMNYLVINNHFE-CHWSQXEVSA-N 1 1 287.404 0.631 10 0 CCAEMO COC[C@@H](O)C[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171973121 350948360 /nfs/dbraw/zinc/94/83/60/350948360.db2.gz ONFTVTAQUAQSPW-NEPJUHHUSA-N 1 1 269.345 0.640 10 0 CCAEMO CSCC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000173280055 351033930 /nfs/dbraw/zinc/03/39/30/351033930.db2.gz LPBXTCQOFFJOMW-CYBMUJFWSA-N 1 1 285.457 0.978 10 0 CCAEMO CCc1nnc(CN2CCC[C@@H]2C[NH+]2CCOCC2)n1C ZINC000174016444 351066548 /nfs/dbraw/zinc/06/65/48/351066548.db2.gz JVDJZSKOMTWSDT-CYBMUJFWSA-N 1 1 293.415 0.674 10 0 CCAEMO Cn1cc([C@H]2CC[N@@H+](CCCN3CCOCC3)C2)cn1 ZINC000173653477 351048930 /nfs/dbraw/zinc/04/89/30/351048930.db2.gz JWYSBCZCNZPJMW-AWEZNQCLSA-N 1 1 278.400 0.932 10 0 CCAEMO COCCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173818643 351056724 /nfs/dbraw/zinc/05/67/24/351056724.db2.gz BZIMVWRECRZIHU-NWDGAFQWSA-N 1 1 256.346 0.202 10 0 CCAEMO CCCC(=O)NCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173854019 351057679 /nfs/dbraw/zinc/05/76/79/351057679.db2.gz KBOCFKQZFQROGU-OLZOCXBDSA-N 1 1 297.399 0.082 10 0 CCAEMO CCCS(=O)(=O)CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173926808 351062181 /nfs/dbraw/zinc/06/21/81/351062181.db2.gz AJDIIUJYEZYEHG-ZDUSSCGKSA-N 1 1 290.429 0.218 10 0 CCAEMO CCCS(=O)(=O)CC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173926808 351062183 /nfs/dbraw/zinc/06/21/83/351062183.db2.gz AJDIIUJYEZYEHG-ZDUSSCGKSA-N 1 1 290.429 0.218 10 0 CCAEMO c1cnn(CC[N@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173926778 351062557 /nfs/dbraw/zinc/06/25/57/351062557.db2.gz QANGDYAMCJPGHT-ZDUSSCGKSA-N 1 1 250.346 0.290 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1CCCC1=O ZINC000174981735 351113082 /nfs/dbraw/zinc/11/30/82/351113082.db2.gz PWKZVHLGSYMBBU-CHWSQXEVSA-N 1 1 279.384 0.694 10 0 CCAEMO CC(C)[N@H+](C)CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174288767 351078096 /nfs/dbraw/zinc/07/80/96/351078096.db2.gz BDZAQLCLAJCRJV-QWHCGFSZSA-N 1 1 271.405 0.240 10 0 CCAEMO CC[C@H]1CN(C(=O)CCCOC)CC[N@H+]1C[C@@H](C)O ZINC000174593669 351094158 /nfs/dbraw/zinc/09/41/58/351094158.db2.gz MOHSKENAEZLVTJ-OLZOCXBDSA-N 1 1 272.389 0.717 10 0 CCAEMO CCOCCNC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000175966701 351152245 /nfs/dbraw/zinc/15/22/45/351152245.db2.gz JLHLMKVJJBBLPL-CYBMUJFWSA-N 1 1 295.387 0.143 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000177038214 351192492 /nfs/dbraw/zinc/19/24/92/351192492.db2.gz XRYCKWQVDJFSDI-NEPJUHHUSA-N 1 1 267.373 0.407 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1COCCO1 ZINC000176980360 351190484 /nfs/dbraw/zinc/19/04/84/351190484.db2.gz XUIFIWUKTSYULN-RYUDHWBXSA-N 1 1 256.346 0.345 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)NC1CCOCC1 ZINC000175360491 351127274 /nfs/dbraw/zinc/12/72/74/351127274.db2.gz OIHGUPGMMIFLJO-CQSZACIVSA-N 1 1 283.416 0.698 10 0 CCAEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCCN2)C1 ZINC000178834407 351248788 /nfs/dbraw/zinc/24/87/88/351248788.db2.gz CRRCSGYOGNPDQZ-STQMWFEESA-N 1 1 269.389 0.165 10 0 CCAEMO CCn1c(C)nnc1CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177252467 351199485 /nfs/dbraw/zinc/19/94/85/351199485.db2.gz VAXOQUULCACESB-TZMCWYRMSA-N 1 1 293.415 0.759 10 0 CCAEMO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181336929 351313827 /nfs/dbraw/zinc/31/38/27/351313827.db2.gz QNWDUYWPGHFXNC-YNEHKIRRSA-N 1 1 278.356 0.318 10 0 CCAEMO CCCOCC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181412152 351317365 /nfs/dbraw/zinc/31/73/65/351317365.db2.gz UFJIRRPZWFWYEG-GFCCVEGCSA-N 1 1 266.345 0.320 10 0 CCAEMO CCN1CC[NH+]([C@@H]2CCN(CC(=O)OCC(C)C)C2)CC1 ZINC000181454204 351321424 /nfs/dbraw/zinc/32/14/24/351321424.db2.gz VRSWKSQMKRQUOI-OAHLLOKOSA-N 1 1 297.443 0.897 10 0 CCAEMO COCCCOCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000180051319 351279698 /nfs/dbraw/zinc/27/96/98/351279698.db2.gz LRJIVVKSHBJFGY-CYBMUJFWSA-N 1 1 270.373 0.736 10 0 CCAEMO COCCCOCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000180051336 351280230 /nfs/dbraw/zinc/28/02/30/351280230.db2.gz LRJIVVKSHBJFGY-ZDUSSCGKSA-N 1 1 270.373 0.736 10 0 CCAEMO COCc1nc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)no1 ZINC000182440990 351362578 /nfs/dbraw/zinc/36/25/78/351362578.db2.gz RAYQDYOEQQZRBA-GHMZBOCLSA-N 1 1 284.360 0.103 10 0 CCAEMO Cc1ccc2nc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)cn2c1 ZINC000185147876 351433533 /nfs/dbraw/zinc/43/35/33/351433533.db2.gz DFORJMBJTPFQIQ-CHWSQXEVSA-N 1 1 261.325 0.570 10 0 CCAEMO Cc1ccc2nc(C[N@H+]3C[C@H](O)C[C@@H]3CO)cn2c1 ZINC000185147876 351433539 /nfs/dbraw/zinc/43/35/39/351433539.db2.gz DFORJMBJTPFQIQ-CHWSQXEVSA-N 1 1 261.325 0.570 10 0 CCAEMO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000185351724 351443972 /nfs/dbraw/zinc/44/39/72/351443972.db2.gz XDYLUJLEIOKWNQ-ZDUSSCGKSA-N 1 1 284.404 0.053 10 0 CCAEMO CCOCCCNC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000184693915 351418718 /nfs/dbraw/zinc/41/87/18/351418718.db2.gz IVWDMKSOBHLQRY-CYBMUJFWSA-N 1 1 287.404 0.511 10 0 CCAEMO CCOCCNC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000184803652 351423768 /nfs/dbraw/zinc/42/37/68/351423768.db2.gz GFXFMFCPZNDHGB-GFCCVEGCSA-N 1 1 273.377 0.121 10 0 CCAEMO O=C(Nc1cnns1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000192354875 351786896 /nfs/dbraw/zinc/78/68/96/351786896.db2.gz MVGLOTVBVABBBO-QMMMGPOBSA-N 1 1 253.331 0.850 10 0 CCAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191385674 351756228 /nfs/dbraw/zinc/75/62/28/351756228.db2.gz JZLRUEIPIRYNQG-QWHCGFSZSA-N 1 1 296.415 0.781 10 0 CCAEMO C[C@@H]1CN(CCN2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000192979441 351806524 /nfs/dbraw/zinc/80/65/24/351806524.db2.gz LXCSKUNCHUSAKG-ZIAGYGMSSA-N 1 1 253.390 0.487 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](C)C2)C1 ZINC000194178559 351858945 /nfs/dbraw/zinc/85/89/45/351858945.db2.gz CZQFLTDKBMUDPJ-VXGBXAGGSA-N 1 1 255.362 0.901 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCC(=O)NC)C1 ZINC000122571932 187038950 /nfs/dbraw/zinc/03/89/50/187038950.db2.gz HPIQWBZGOLKNOR-GFCCVEGCSA-N 1 1 284.404 0.638 10 0 CCAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CNC(=O)C3)CC[C@@H]21 ZINC000122941916 187061214 /nfs/dbraw/zinc/06/12/14/187061214.db2.gz CSJQICANBGGTNC-UTUOFQBUSA-N 1 1 265.357 0.065 10 0 CCAEMO C[C@@H]1CN(C(=O)CN2CCC[N@H+](C3CC3)CC2)C[C@H](C)O1 ZINC000195340696 351911082 /nfs/dbraw/zinc/91/10/82/351911082.db2.gz XOJSGRQEBWGTME-OKILXGFUSA-N 1 1 295.427 0.792 10 0 CCAEMO CC[C@@H](C(=O)OC)[NH+]1CCC(n2cncn2)CC1 ZINC000195436732 351912937 /nfs/dbraw/zinc/91/29/37/351912937.db2.gz MHFVAYLTARZVLY-NSHDSACASA-N 1 1 252.318 0.867 10 0 CCAEMO C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515605 351915788 /nfs/dbraw/zinc/91/57/88/351915788.db2.gz AATYQHITAXZGJK-WDEREUQCSA-N 1 1 291.355 0.399 10 0 CCAEMO CCn1cc(C2CC[NH+](CC(=O)NC)CC2)cn1 ZINC000195513084 351915885 /nfs/dbraw/zinc/91/58/85/351915885.db2.gz MOSDAVPLMPLBHO-UHFFFAOYSA-N 1 1 250.346 0.828 10 0 CCAEMO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000227576035 352055250 /nfs/dbraw/zinc/05/52/50/352055250.db2.gz DPMLKYLNDLBHMZ-ZDUSSCGKSA-N 1 1 299.415 0.064 10 0 CCAEMO CC(C)([NH3+])C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000236777140 352212802 /nfs/dbraw/zinc/21/28/02/352212802.db2.gz UMLXPCPEBXNJSP-GFCCVEGCSA-N 1 1 269.389 0.295 10 0 CCAEMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3COCCN3)sc2C1 ZINC000236828663 352218764 /nfs/dbraw/zinc/21/87/64/352218764.db2.gz JDUATYRHXKUBEC-JTQLQIEISA-N 1 1 296.396 0.448 10 0 CCAEMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3COCCN3)sc2C1 ZINC000236828663 352218768 /nfs/dbraw/zinc/21/87/68/352218768.db2.gz JDUATYRHXKUBEC-JTQLQIEISA-N 1 1 296.396 0.448 10 0 CCAEMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2COCCN2)C1 ZINC000237536472 352269744 /nfs/dbraw/zinc/26/97/44/352269744.db2.gz DQDZDJRYMDQNEL-KGLIPLIRSA-N 1 1 283.416 0.603 10 0 CCAEMO CC[C@H]1CN([C@H](C)CN2CCOCC2)CC[N@H+]1CCOC ZINC000246196416 352353748 /nfs/dbraw/zinc/35/37/48/352353748.db2.gz XKZTXDSFPUGDHI-CVEARBPZSA-N 1 1 299.459 0.750 10 0 CCAEMO CC[C@H]1C[N@@H+]([C@H](C)CN2CCOCC2)CCN1CCOC ZINC000246196416 352353751 /nfs/dbraw/zinc/35/37/51/352353751.db2.gz XKZTXDSFPUGDHI-CVEARBPZSA-N 1 1 299.459 0.750 10 0 CCAEMO CC[C@H]1C[N@H+]([C@H](C)CN2CCOCC2)CCN1CCOC ZINC000246196416 352353753 /nfs/dbraw/zinc/35/37/53/352353753.db2.gz XKZTXDSFPUGDHI-CVEARBPZSA-N 1 1 299.459 0.750 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC000245424202 352321265 /nfs/dbraw/zinc/32/12/65/352321265.db2.gz CDCQXUKYSNNMPW-QWHCGFSZSA-N 1 1 269.389 0.260 10 0 CCAEMO CC(C)N1CC[C@@H]([N@H+]2CCC[C@@H](n3cncn3)C2)C1=O ZINC000245466584 352323905 /nfs/dbraw/zinc/32/39/05/352323905.db2.gz JIEPIIJADPWVTK-CHWSQXEVSA-N 1 1 277.372 0.924 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(CCn2ccnc2)C[C@@H]1C ZINC000245624914 352331892 /nfs/dbraw/zinc/33/18/92/352331892.db2.gz ORFPGBUNHMRHPY-STQMWFEESA-N 1 1 252.362 0.270 10 0 CCAEMO C[C@H](O)CN1CC[N@H+](CCn2ccnc2)C[C@@H]1C ZINC000245624914 352331894 /nfs/dbraw/zinc/33/18/94/352331894.db2.gz ORFPGBUNHMRHPY-STQMWFEESA-N 1 1 252.362 0.270 10 0 CCAEMO C[C@H](O)CN1CC[N@@H+](CCn2ccnc2)C[C@@H]1C ZINC000245624914 352331896 /nfs/dbraw/zinc/33/18/96/352331896.db2.gz ORFPGBUNHMRHPY-STQMWFEESA-N 1 1 252.362 0.270 10 0 CCAEMO C[C@@H]1CN(Cc2csnn2)C[C@H]1[NH+]1CCOCC1 ZINC000245716119 352335440 /nfs/dbraw/zinc/33/54/40/352335440.db2.gz GYOXGWGKVOCXPB-ZYHUDNBSSA-N 1 1 268.386 0.691 10 0 CCAEMO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000246387543 352364568 /nfs/dbraw/zinc/36/45/68/352364568.db2.gz IHCBYDRFKIRPRB-STQMWFEESA-N 1 1 286.420 0.347 10 0 CCAEMO COc1ccnc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246707517 352379622 /nfs/dbraw/zinc/37/96/22/352379622.db2.gz KLWICRPJYHJSTP-RYUDHWBXSA-N 1 1 293.367 0.617 10 0 CCAEMO COc1ccnc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000246707517 352379624 /nfs/dbraw/zinc/37/96/24/352379624.db2.gz KLWICRPJYHJSTP-RYUDHWBXSA-N 1 1 293.367 0.617 10 0 CCAEMO O[C@H](CN1CCOCC1)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000247129723 352400605 /nfs/dbraw/zinc/40/06/05/352400605.db2.gz ARMCVVYWTFZPHQ-BZUAXINKSA-N 1 1 298.427 0.307 10 0 CCAEMO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246883132 352386917 /nfs/dbraw/zinc/38/69/17/352386917.db2.gz GRKNYHSBVQEMCJ-UONOGXRCSA-N 1 1 283.416 0.554 10 0 CCAEMO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246883132 352386921 /nfs/dbraw/zinc/38/69/21/352386921.db2.gz GRKNYHSBVQEMCJ-UONOGXRCSA-N 1 1 283.416 0.554 10 0 CCAEMO CCOC(=O)NCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246986669 352391966 /nfs/dbraw/zinc/39/19/66/352391966.db2.gz FBTJSPGBJHCPLD-GHMZBOCLSA-N 1 1 269.345 0.428 10 0 CCAEMO CCN(C)S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246983221 352392167 /nfs/dbraw/zinc/39/21/67/352392167.db2.gz MTQHAQMIGGGRTN-NSHDSACASA-N 1 1 261.391 0.353 10 0 CCAEMO CCN(C)S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246983221 352392169 /nfs/dbraw/zinc/39/21/69/352392169.db2.gz MTQHAQMIGGGRTN-NSHDSACASA-N 1 1 261.391 0.353 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000247012189 352393183 /nfs/dbraw/zinc/39/31/83/352393183.db2.gz HEDQNVGTTGYACA-HZSPNIEDSA-N 1 1 298.431 0.345 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN1CCOCC1 ZINC000247068953 352395956 /nfs/dbraw/zinc/39/59/56/352395956.db2.gz HLGXANJUUOFAFY-KGLIPLIRSA-N 1 1 296.415 0.197 10 0 CCAEMO Cc1nc(CN2CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)no1 ZINC000247068003 352395967 /nfs/dbraw/zinc/39/59/67/352395967.db2.gz GHVFIDSPAUQLOL-LLVKDONJSA-N 1 1 295.387 0.362 10 0 CCAEMO Cc1nc(CN2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)no1 ZINC000247068003 352395970 /nfs/dbraw/zinc/39/59/70/352395970.db2.gz GHVFIDSPAUQLOL-LLVKDONJSA-N 1 1 295.387 0.362 10 0 CCAEMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247556131 352420304 /nfs/dbraw/zinc/42/03/04/352420304.db2.gz 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CC[N@@H+](CCO)CCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000248627807 352448896 /nfs/dbraw/zinc/44/88/96/352448896.db2.gz FQUOGZQAQFQGHJ-WFASDCNBSA-N 1 1 292.379 0.982 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C(=O)NCC[C@H]2C)C1 ZINC000249466304 352492462 /nfs/dbraw/zinc/49/24/62/352492462.db2.gz GWYGENPVOYYTIK-WOPDTQHZSA-N 1 1 282.388 0.295 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000249190814 352481963 /nfs/dbraw/zinc/48/19/63/352481963.db2.gz PFKLSJZFUWZULG-MNOVXSKESA-N 1 1 291.355 0.054 10 0 CCAEMO CCOCCONC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000249209202 352482027 /nfs/dbraw/zinc/48/20/27/352482027.db2.gz ABCSNRDHUGDFOE-VXGBXAGGSA-N 1 1 271.361 0.833 10 0 CCAEMO CCO[C@@H]1C[C@H]1C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000248463298 352443334 /nfs/dbraw/zinc/44/33/34/352443334.db2.gz QNWDUYWPGHFXNC-FRRDWIJNSA-N 1 1 278.356 0.318 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(N)nc1 ZINC000251868018 352512405 /nfs/dbraw/zinc/51/24/05/352512405.db2.gz 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CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000408002573 357861653 /nfs/dbraw/zinc/86/16/53/357861653.db2.gz DXDJOBABHBDMLF-GARJFASQSA-N 1 1 271.361 0.313 10 0 CCAEMO Cc1cc(=O)[nH]c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000408015775 357868605 /nfs/dbraw/zinc/86/86/05/357868605.db2.gz DLPMGCSLOKXHLL-VXGBXAGGSA-N 1 1 293.367 0.623 10 0 CCAEMO Cc1cc(=O)[nH]c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000408015775 357868606 /nfs/dbraw/zinc/86/86/06/357868606.db2.gz DLPMGCSLOKXHLL-VXGBXAGGSA-N 1 1 293.367 0.623 10 0 CCAEMO COCCc1nsc(N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000408030656 357875587 /nfs/dbraw/zinc/87/55/87/357875587.db2.gz MMGUNGMKFRCASS-QWRGUYRKSA-N 1 1 298.412 0.636 10 0 CCAEMO COCCc1nsc(N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000408030655 357875649 /nfs/dbraw/zinc/87/56/49/357875649.db2.gz MMGUNGMKFRCASS-MNOVXSKESA-N 1 1 298.412 0.636 10 0 CCAEMO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000408036478 357879078 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CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329014479 202152734 /nfs/dbraw/zinc/15/27/34/202152734.db2.gz JLGLVWZGTOKSNU-QWRGUYRKSA-N 1 1 277.372 0.320 10 0 CCAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329014479 202152736 /nfs/dbraw/zinc/15/27/36/202152736.db2.gz JLGLVWZGTOKSNU-QWRGUYRKSA-N 1 1 277.372 0.320 10 0 CCAEMO CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329014479 202152739 /nfs/dbraw/zinc/15/27/39/202152739.db2.gz JLGLVWZGTOKSNU-QWRGUYRKSA-N 1 1 277.372 0.320 10 0 CCAEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329014479 202152742 /nfs/dbraw/zinc/15/27/42/202152742.db2.gz JLGLVWZGTOKSNU-QWRGUYRKSA-N 1 1 277.372 0.320 10 0 CCAEMO C[N@@H+]1C[C@H]2CN(C[C@](C)(O)C(F)(F)F)C[C@H]2C1 ZINC000375998623 283212274 /nfs/dbraw/zinc/21/22/74/283212274.db2.gz HFGSFEYFCURDTN-AEJSXWLSSA-N 1 1 252.280 0.793 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2ncc[nH]2)[N@@H+](C)C1 ZINC000329067654 202175881 /nfs/dbraw/zinc/17/58/81/202175881.db2.gz XDKBLQSEYYXVPO-TUAOUCFPSA-N 1 1 278.356 0.792 10 0 CCAEMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ncncc1Cl ZINC000329078292 202179991 /nfs/dbraw/zinc/17/99/91/202179991.db2.gz BMCHKJDCBWYITI-SECBINFHSA-N 1 1 283.763 0.106 10 0 CCAEMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ncncc1Cl ZINC000329078292 202179994 /nfs/dbraw/zinc/17/99/94/202179994.db2.gz BMCHKJDCBWYITI-SECBINFHSA-N 1 1 283.763 0.106 10 0 CCAEMO Cc1nnc(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)o1 ZINC000329116235 202194374 /nfs/dbraw/zinc/19/43/74/202194374.db2.gz NHLYBGWYZNQOKL-NSHDSACASA-N 1 1 264.329 0.617 10 0 CCAEMO [NH3+]C1CCC(C(=O)NCCN2CC=CCC2)CC1 ZINC000392918697 357749250 /nfs/dbraw/zinc/74/92/50/357749250.db2.gz ILDZNSUZFHSQRY-UHFFFAOYSA-N 1 1 251.374 0.882 10 0 CCAEMO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000401914164 357807548 /nfs/dbraw/zinc/80/75/48/357807548.db2.gz RNUNMERGRLUYML-NXEZZACHSA-N 1 1 271.361 0.313 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCO2)C[C@H]1C ZINC000407995812 357857352 /nfs/dbraw/zinc/85/73/52/357857352.db2.gz MJMGFRFAVDKNOY-IJLUTSLNSA-N 1 1 256.346 0.079 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCO2)C[C@H]1C ZINC000407995812 357857354 /nfs/dbraw/zinc/85/73/54/357857354.db2.gz MJMGFRFAVDKNOY-IJLUTSLNSA-N 1 1 256.346 0.079 10 0 CCAEMO CNS(=O)(=O)CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000407948008 357830163 /nfs/dbraw/zinc/83/01/63/357830163.db2.gz DXTLWUWWQFQQHK-VXGBXAGGSA-N 1 1 276.402 0.569 10 0 CCAEMO CNS(=O)(=O)CCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000407948008 357830169 /nfs/dbraw/zinc/83/01/69/357830169.db2.gz DXTLWUWWQFQQHK-VXGBXAGGSA-N 1 1 276.402 0.569 10 0 CCAEMO CNS(=O)(=O)CCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000407949606 357832549 /nfs/dbraw/zinc/83/25/49/357832549.db2.gz ULMKRPXEBHANJK-NEPJUHHUSA-N 1 1 275.418 0.094 10 0 CCAEMO OC1(C[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CCCC1 ZINC000408034441 357877336 /nfs/dbraw/zinc/87/73/36/357877336.db2.gz TYIXMGLBXIGAIY-AWEZNQCLSA-N 1 1 280.372 0.410 10 0 CCAEMO COC[C@H](C)[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408034571 357878465 /nfs/dbraw/zinc/87/84/65/357878465.db2.gz GCVBBGCCEFWDFU-ONGXEEELSA-N 1 1 254.334 0.701 10 0 CCAEMO COC[C@H](C)[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408034571 357878467 /nfs/dbraw/zinc/87/84/67/357878467.db2.gz GCVBBGCCEFWDFU-ONGXEEELSA-N 1 1 254.334 0.701 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCO[C@H](C)C2)[N@H+](C)C1 ZINC000408044054 357884106 /nfs/dbraw/zinc/88/41/06/357884106.db2.gz MJVDSYGZEPZXEU-NDBYEHHHSA-N 1 1 270.373 0.637 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCO[C@H](C)C2)[N@@H+](C)C1 ZINC000408044054 357884110 /nfs/dbraw/zinc/88/41/10/357884110.db2.gz MJVDSYGZEPZXEU-NDBYEHHHSA-N 1 1 270.373 0.637 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC[C@@]2(C)CCCO2)[N@H+](C)C1 ZINC000408044956 357885808 /nfs/dbraw/zinc/88/58/08/357885808.db2.gz XCKGWMOWYDSRNQ-GMXVVIOVSA-N 1 1 256.346 0.391 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC[C@@]2(C)CCCO2)[N@@H+](C)C1 ZINC000408044956 357885809 /nfs/dbraw/zinc/88/58/09/357885809.db2.gz XCKGWMOWYDSRNQ-GMXVVIOVSA-N 1 1 256.346 0.391 10 0 CCAEMO CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1(C)C ZINC000408047159 357887621 /nfs/dbraw/zinc/88/76/21/357887621.db2.gz OJLIOHFKGGKDAR-KSSYENDESA-N 1 1 284.400 0.881 10 0 CCAEMO CO[C@@H]1[C@H](C)[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1(C)C ZINC000408047159 357887624 /nfs/dbraw/zinc/88/76/24/357887624.db2.gz OJLIOHFKGGKDAR-KSSYENDESA-N 1 1 284.400 0.881 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC(C)(C)C(C)(C)O)[N@H+](C)C1 ZINC000408052599 357890816 /nfs/dbraw/zinc/89/08/16/357890816.db2.gz BZNWNXBIHGQZKV-UWVGGRQHSA-N 1 1 258.362 0.371 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC(C)(C)C(C)(C)O)[N@@H+](C)C1 ZINC000408052599 357890821 /nfs/dbraw/zinc/89/08/21/357890821.db2.gz BZNWNXBIHGQZKV-UWVGGRQHSA-N 1 1 258.362 0.371 10 0 CCAEMO CNC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cn1 ZINC000408113491 357924143 /nfs/dbraw/zinc/92/41/43/357924143.db2.gz SQGFLBSZTPAACM-SNVBAGLBSA-N 1 1 276.340 0.217 10 0 CCAEMO CNC(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000408113491 357924144 /nfs/dbraw/zinc/92/41/44/357924144.db2.gz SQGFLBSZTPAACM-SNVBAGLBSA-N 1 1 276.340 0.217 10 0 CCAEMO C[C@H]1CCCC[N@H+]1CCC(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000408065490 357898154 /nfs/dbraw/zinc/89/81/54/357898154.db2.gz OULMCUZIAZYILN-TUAOUCFPSA-N 1 1 285.363 0.675 10 0 CCAEMO C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)CCO1 ZINC000408145930 357939055 /nfs/dbraw/zinc/93/90/55/357939055.db2.gz VZNWJSAXWUGLHI-DDHJBXDOSA-N 1 1 256.346 0.376 10 0 CCAEMO CCNC(=O)NC(=O)CN1[C@H](C)C[N@H+](CC)C[C@@H]1C ZINC000408200100 357966161 /nfs/dbraw/zinc/96/61/61/357966161.db2.gz ZMHJSHWWTUJNMR-PHIMTYICSA-N 1 1 270.377 0.247 10 0 CCAEMO CC[C@H](F)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000408240762 357986972 /nfs/dbraw/zinc/98/69/72/357986972.db2.gz FOKIUYQWYCZIPC-VIFPVBQESA-N 1 1 267.370 0.253 10 0 CCAEMO O=C([C@@H]1CCCO1)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000408253229 357994177 /nfs/dbraw/zinc/99/41/77/357994177.db2.gz FSPMEIAKNWUYKA-LBPRGKRZSA-N 1 1 268.357 0.225 10 0 CCAEMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000408258630 357996512 /nfs/dbraw/zinc/99/65/12/357996512.db2.gz ZDGAGNHQWNKZNJ-CHWSQXEVSA-N 1 1 296.415 0.781 10 0 CCAEMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000408258630 357996514 /nfs/dbraw/zinc/99/65/14/357996514.db2.gz ZDGAGNHQWNKZNJ-CHWSQXEVSA-N 1 1 296.415 0.781 10 0 CCAEMO CC[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1[NH+]1CCOCC1 ZINC000408287727 358011125 /nfs/dbraw/zinc/01/11/25/358011125.db2.gz SLFICYSHZNGWGE-QWHCGFSZSA-N 1 1 284.400 0.717 10 0 CCAEMO CC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000408290014 358012330 /nfs/dbraw/zinc/01/23/30/358012330.db2.gz HFLCJSPORNKXDG-KGYLQXTDSA-N 1 1 294.399 0.532 10 0 CCAEMO CC(C)N(C)C(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000408338607 358041973 /nfs/dbraw/zinc/04/19/73/358041973.db2.gz LKLVJNRKNFBVFK-UHFFFAOYSA-N 1 1 264.329 0.407 10 0 CCAEMO CC(C)N(C)C(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000408338607 358041976 /nfs/dbraw/zinc/04/19/76/358041976.db2.gz LKLVJNRKNFBVFK-UHFFFAOYSA-N 1 1 264.329 0.407 10 0 CCAEMO C[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000408358424 358050075 /nfs/dbraw/zinc/05/00/75/358050075.db2.gz FRDOURDQKKFQEX-NWDGAFQWSA-N 1 1 270.373 0.469 10 0 CCAEMO C[C@H]1COC(C)(C)C[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000408358424 358050076 /nfs/dbraw/zinc/05/00/76/358050076.db2.gz FRDOURDQKKFQEX-NWDGAFQWSA-N 1 1 270.373 0.469 10 0 CCAEMO CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000408388341 358067939 /nfs/dbraw/zinc/06/79/39/358067939.db2.gz USUCVWCNVXXWOK-RDBSUJKOSA-N 1 1 284.400 0.717 10 0 CCAEMO Cc1cc(O)cc(=O)n1CCC(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408416977 358082076 /nfs/dbraw/zinc/08/20/76/358082076.db2.gz RYAAYUOWAHLARQ-GFCCVEGCSA-N 1 1 293.367 0.415 10 0 CCAEMO Cc1cc(O)cc(=O)n1CCC(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408416977 358082080 /nfs/dbraw/zinc/08/20/80/358082080.db2.gz RYAAYUOWAHLARQ-GFCCVEGCSA-N 1 1 293.367 0.415 10 0 CCAEMO CC(C)n1cc(-c2noc(C[NH3+])n2)c(=O)[nH]c1=O ZINC000409443487 358114301 /nfs/dbraw/zinc/11/43/01/358114301.db2.gz NUNBYXCNMMXENL-UHFFFAOYSA-N 1 1 251.246 0.039 10 0 CCAEMO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000329231944 202246686 /nfs/dbraw/zinc/24/66/86/202246686.db2.gz FPPDYSVASSAGHE-STQMWFEESA-N 1 1 280.372 0.240 10 0 CCAEMO O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000329231944 202246687 /nfs/dbraw/zinc/24/66/87/202246687.db2.gz FPPDYSVASSAGHE-STQMWFEESA-N 1 1 280.372 0.240 10 0 CCAEMO NC(=[NH2+])NCCN1CCN(CCc2ccccc2)CC1 ZINC000584604950 359178936 /nfs/dbraw/zinc/17/89/36/359178936.db2.gz OIJPZWMPGBCROG-UHFFFAOYSA-N 1 1 275.400 0.330 10 0 CCAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@H](C(N)=O)CC1 ZINC000616665604 365418771 /nfs/dbraw/zinc/41/87/71/365418771.db2.gz NYCXJDLKAQOEBL-JTQLQIEISA-N 1 1 287.360 0.087 10 0 CCAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](C(N)=O)CC1 ZINC000616665604 365418783 /nfs/dbraw/zinc/41/87/83/365418783.db2.gz NYCXJDLKAQOEBL-JTQLQIEISA-N 1 1 287.360 0.087 10 0 CCAEMO OCC[N@H+]1CCCOC[C@@H]1c1ccccc1CO ZINC000616647315 365405838 /nfs/dbraw/zinc/40/58/38/365405838.db2.gz XUJHDGALMLACGK-CQSZACIVSA-N 1 1 251.326 0.935 10 0 CCAEMO OCC[N@H+]1CCCO[C@H](c2cccc(CO)c2)C1 ZINC000616648857 365407101 /nfs/dbraw/zinc/40/71/01/365407101.db2.gz FZQRJLCERODCKP-AWEZNQCLSA-N 1 1 251.326 0.935 10 0 CCAEMO OCC[N@H+]1CCOCC[C@H]1c1ccccc1CO ZINC000616596972 365379438 /nfs/dbraw/zinc/37/94/38/365379438.db2.gz BONGCNYXOGGNOV-AWEZNQCLSA-N 1 1 251.326 0.935 10 0 CCAEMO NC(=O)c1cccc([C@H]2COCCC[N@@H+]2CCO)c1 ZINC000616598524 365379814 /nfs/dbraw/zinc/37/98/14/365379814.db2.gz DEBASGQEVISLKB-CYBMUJFWSA-N 1 1 264.325 0.541 10 0 CCAEMO NC(=O)c1cccc([C@H]2COCCC[N@H+]2CCO)c1 ZINC000616598524 365379822 /nfs/dbraw/zinc/37/98/22/365379822.db2.gz DEBASGQEVISLKB-CYBMUJFWSA-N 1 1 264.325 0.541 10 0 CCAEMO CO[C@H](C)CS(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000192918142 294293498 /nfs/dbraw/zinc/29/34/98/294293498.db2.gz KJNFUCATVUCWRI-QJPTWQEYSA-N 1 1 276.402 0.520 10 0 CCAEMO C[C@]1(CNC(=O)[C@@H]2COCC[NH2+]2)CCCC[C@@H]1O ZINC000262623624 291387110 /nfs/dbraw/zinc/38/71/10/291387110.db2.gz JXNUSUAFVFKYBV-GMXVVIOVSA-N 1 1 256.346 0.032 10 0 CCAEMO COc1cncc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000625220982 368103976 /nfs/dbraw/zinc/10/39/76/368103976.db2.gz OMCARSOFPUXOQI-GXTWGEPZSA-N 1 1 292.383 0.638 10 0 CCAEMO COc1cncc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000625220982 368103988 /nfs/dbraw/zinc/10/39/88/368103988.db2.gz OMCARSOFPUXOQI-GXTWGEPZSA-N 1 1 292.383 0.638 10 0 CCAEMO CO[C@H](C)c1nsc(NCC2([NH3+])CCOCC2)n1 ZINC000630524893 370145648 /nfs/dbraw/zinc/14/56/48/370145648.db2.gz ZEFMZCPGNKGMPM-MRVPVSSYSA-N 1 1 272.374 0.587 10 0 CCAEMO O=C(N[C@H]1CCc2n[nH]cc2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246941153 284223784 /nfs/dbraw/zinc/22/37/84/284223784.db2.gz NPESTOUNABQNDC-STQMWFEESA-N 1 1 289.383 0.757 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C ZINC000333077205 205012100 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CCc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)[nH]n1 ZINC000285275455 196238720 /nfs/dbraw/zinc/23/87/20/196238720.db2.gz AWRMBDOKZLENRC-STQMWFEESA-N 1 1 278.356 0.517 10 0 CCAEMO CCc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n[nH]1 ZINC000285275455 196238722 /nfs/dbraw/zinc/23/87/22/196238722.db2.gz AWRMBDOKZLENRC-STQMWFEESA-N 1 1 278.356 0.517 10 0 CCAEMO CCc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n[nH]1 ZINC000285275455 196238723 /nfs/dbraw/zinc/23/87/23/196238723.db2.gz AWRMBDOKZLENRC-STQMWFEESA-N 1 1 278.356 0.517 10 0 CCAEMO C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccco1 ZINC000035738674 172392728 /nfs/dbraw/zinc/39/27/28/172392728.db2.gz VMWSXQSOAVZGBG-VIFPVBQESA-N 1 1 263.297 0.528 10 0 CCAEMO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCCNS(C)(=O)=O)C1 ZINC000037221744 173042493 /nfs/dbraw/zinc/04/24/93/173042493.db2.gz WIQUDLOLLNVAEC-CHWSQXEVSA-N 1 1 291.461 0.636 10 0 CCAEMO CCC[N@H+]1CCC[C@@H]([C@@H](C)NCCNS(C)(=O)=O)C1 ZINC000037221744 173042495 /nfs/dbraw/zinc/04/24/95/173042495.db2.gz WIQUDLOLLNVAEC-CHWSQXEVSA-N 1 1 291.461 0.636 10 0 CCAEMO NC(=O)[C@]1(O)CC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000660388545 414282979 /nfs/dbraw/zinc/28/29/79/414282979.db2.gz VVRGZDTYMALCHE-AWEZNQCLSA-N 1 1 272.308 0.052 10 0 CCAEMO COCCN(CCOC)c1nc[nH+]c(NC(C)C)c1N ZINC000040708071 174379938 /nfs/dbraw/zinc/37/99/38/174379938.db2.gz MAXCWRYDBVKNLN-UHFFFAOYSA-N 1 1 283.376 0.978 10 0 CCAEMO C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1ccccn1 ZINC000662843241 414836245 /nfs/dbraw/zinc/83/62/45/414836245.db2.gz SACGAXXEKJPAGS-WZRBSPASSA-N 1 1 263.341 0.678 10 0 CCAEMO O=C(NCc1cnccc1C(F)(F)F)[C@@H]1COCC[NH2+]1 ZINC000663001740 414941644 /nfs/dbraw/zinc/94/16/44/414941644.db2.gz JBPXUIWHRWJVNO-JTQLQIEISA-N 1 1 289.257 0.705 10 0 CCAEMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(C(N)=O)cc1N ZINC000071188499 176063187 /nfs/dbraw/zinc/06/31/87/176063187.db2.gz NQEYBUDEOBKVOA-SNVBAGLBSA-N 1 1 262.357 0.756 10 0 CCAEMO CN1CC[C@@H](C[N@H+](C)CCCC[C@](C)([NH3+])C(=O)[O-])C1 ZINC000071190887 176069022 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CC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000389574140 545086672 /nfs/dbraw/zinc/08/66/72/545086672.db2.gz WUSWCQWRDHQWBQ-JTQLQIEISA-N 1 1 287.360 0.780 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2nncs2)C[C@H]1C ZINC000173235645 335130038 /nfs/dbraw/zinc/13/00/38/335130038.db2.gz BYKLYJZFLCNKHA-RKDXNWHRSA-N 1 1 285.373 0.457 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2nncs2)C[C@H]1C ZINC000173235645 335130039 /nfs/dbraw/zinc/13/00/39/335130039.db2.gz BYKLYJZFLCNKHA-RKDXNWHRSA-N 1 1 285.373 0.457 10 0 CCAEMO COCC[NH+]1CCN(Cc2nnc(C(C)C)n2C)CC1 ZINC000195045096 336043541 /nfs/dbraw/zinc/04/35/41/336043541.db2.gz VADGEOHMMIRXPI-UHFFFAOYSA-N 1 1 281.404 0.703 10 0 CCAEMO CN(C)c1nc(Cl)nc(NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000061538155 522322486 /nfs/dbraw/zinc/32/24/86/522322486.db2.gz GUWGIIVWCHDMOV-MRVPVSSYSA-N 1 1 270.768 0.955 10 0 CCAEMO CC(C)C[C@H](CN(C)C)NS(=O)(=O)CCCC[NH3+] ZINC000049558148 519342227 /nfs/dbraw/zinc/34/22/27/519342227.db2.gz AQVYORGWKHEXSI-GFCCVEGCSA-N 1 1 279.450 0.621 10 0 CCAEMO CCCNC(=O)CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000156407102 519878914 /nfs/dbraw/zinc/87/89/14/519878914.db2.gz VDJBESLQEKOGGK-RYUDHWBXSA-N 1 1 284.404 0.541 10 0 CCAEMO CCNc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)nn1 ZINC000050770122 520289470 /nfs/dbraw/zinc/28/94/70/520289470.db2.gz OBAZNBMHEKFRFO-SNVBAGLBSA-N 1 1 263.345 0.590 10 0 CCAEMO CCO[C@H](CC[NH+]1CCC([NH+](C)C)CC1)C(=O)[O-] ZINC000062752150 520502341 /nfs/dbraw/zinc/50/23/41/520502341.db2.gz ZJPPVSRUEJDFJY-GFCCVEGCSA-N 1 1 258.362 0.892 10 0 CCAEMO CCN1CCC([N@@H+](C)CC[C@@H](NC)C(=O)OC)CC1 ZINC000062463026 521560142 /nfs/dbraw/zinc/56/01/42/521560142.db2.gz QDYILHNNVZDNSG-CYBMUJFWSA-N 1 1 271.405 0.554 10 0 CCAEMO CC[NH+]1CCC(N(C)CC[C@@H](NC)C(=O)OC)CC1 ZINC000062463026 521560146 /nfs/dbraw/zinc/56/01/46/521560146.db2.gz QDYILHNNVZDNSG-CYBMUJFWSA-N 1 1 271.405 0.554 10 0 CCAEMO CN(C)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674861 521827847 /nfs/dbraw/zinc/82/78/47/521827847.db2.gz XVYQPLMXOHNVJX-NSHDSACASA-N 1 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ZBTPEZONIVWBAW-OLZOCXBDSA-N 1 1 287.367 0.622 10 0 CCAEMO O=c1c2ccc[nH]c-2cn1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000248967739 649739392 /nfs/dbraw/zinc/73/93/92/649739392.db2.gz SBBRRCHKLOLFSO-LBPRGKRZSA-N 1 1 272.352 0.775 10 0 CCAEMO CC[C@H]([NH2+]C)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000094506328 649743781 /nfs/dbraw/zinc/74/37/81/649743781.db2.gz QJLBWACUIJDMCI-VHSXEESVSA-N 1 1 251.334 0.412 10 0 CCAEMO COC(=O)[C@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@H]1C ZINC000094996722 649750880 /nfs/dbraw/zinc/75/08/80/649750880.db2.gz NEKPEKZSRSZVSU-PWSUYJOCSA-N 1 1 274.324 0.970 10 0 CCAEMO COC(=O)[C@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@H]1C ZINC000094996722 649750881 /nfs/dbraw/zinc/75/08/81/649750881.db2.gz NEKPEKZSRSZVSU-PWSUYJOCSA-N 1 1 274.324 0.970 10 0 CCAEMO COC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1CNC(=O)O1 ZINC000250301311 649757603 /nfs/dbraw/zinc/75/76/03/649757603.db2.gz CGCHYGHXMIXXHB-VHSXEESVSA-N 1 1 256.302 0.512 10 0 CCAEMO COC(=O)CC[N@H+](CCn1cc[nH+]c1C)CC(=O)[O-] ZINC000715789107 955119626 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C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523537 969047959 /nfs/dbraw/zinc/04/79/59/969047959.db2.gz WBSCSVXWOMVTJL-KGYLQXTDSA-N 1 1 270.373 0.484 10 0 CCAEMO C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523537 969047968 /nfs/dbraw/zinc/04/79/68/969047968.db2.gz WBSCSVXWOMVTJL-KGYLQXTDSA-N 1 1 270.373 0.484 10 0 CCAEMO C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523537 969047989 /nfs/dbraw/zinc/04/79/89/969047989.db2.gz WBSCSVXWOMVTJL-KGYLQXTDSA-N 1 1 270.373 0.484 10 0 CCAEMO C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523537 969047998 /nfs/dbraw/zinc/04/79/98/969047998.db2.gz WBSCSVXWOMVTJL-KGYLQXTDSA-N 1 1 270.373 0.484 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ncn(C)n1 ZINC000092377053 349491672 /nfs/dbraw/zinc/49/16/72/349491672.db2.gz RMHCORABWKBJKM-WDEREUQCSA-N 1 1 278.360 0.193 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ncn(C)n1 ZINC000092377052 349491777 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ZINC000116395798 389133884 /nfs/dbraw/zinc/13/38/84/389133884.db2.gz WXQDPKWIMRRCRT-OLZOCXBDSA-N 1 1 272.389 0.717 10 0 CCAEMO Cc1cnn(CCNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000118072156 389136278 /nfs/dbraw/zinc/13/62/78/389136278.db2.gz SUXCDDQJCIWOCM-LBPRGKRZSA-N 1 1 279.388 0.973 10 0 CCAEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NC1CC1 ZINC000128538957 389177123 /nfs/dbraw/zinc/17/71/23/389177123.db2.gz CSFAGUYLERXMRO-FZMZJTMJSA-N 1 1 252.358 0.892 10 0 CCAEMO C[C@H]1CCCN1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248751850 389250114 /nfs/dbraw/zinc/25/01/14/389250114.db2.gz STLGROMRTBHYNC-STQMWFEESA-N 1 1 287.429 0.886 10 0 CCAEMO C[C@H]1CCCN1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248751850 389250122 /nfs/dbraw/zinc/25/01/22/389250122.db2.gz STLGROMRTBHYNC-STQMWFEESA-N 1 1 287.429 0.886 10 0 CCAEMO CCCCOC[C@@H](O)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000249509916 389255314 /nfs/dbraw/zinc/25/53/14/389255314.db2.gz ICLPCJBICYCWGR-UONOGXRCSA-N 1 1 273.373 0.655 10 0 CCAEMO CCCCOC[C@@H](O)C[N@H+]1CCOC[C@]12CCOC2 ZINC000249509916 389255318 /nfs/dbraw/zinc/25/53/18/389255318.db2.gz ICLPCJBICYCWGR-UONOGXRCSA-N 1 1 273.373 0.655 10 0 CCAEMO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@]12CCOC2=O ZINC000249579641 389256301 /nfs/dbraw/zinc/25/63/01/389256301.db2.gz QMWZFDWIPZGPMD-BXUZGUMPSA-N 1 1 271.357 0.944 10 0 CCAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@]12CCOC2=O ZINC000249579641 389256304 /nfs/dbraw/zinc/25/63/04/389256304.db2.gz QMWZFDWIPZGPMD-BXUZGUMPSA-N 1 1 271.357 0.944 10 0 CCAEMO CC[C@@H]1CN(C(=O)Nc2ncnn2C)CC[N@H+]1C[C@H](C)O ZINC000245602075 389214409 /nfs/dbraw/zinc/21/44/09/389214409.db2.gz PEHZCAYXMJQUFJ-WDEREUQCSA-N 1 1 296.375 0.124 10 0 CCAEMO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245669883 389215788 /nfs/dbraw/zinc/21/57/88/389215788.db2.gz CWCYDUQFBRITEH-MNOVXSKESA-N 1 1 253.346 0.256 10 0 CCAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245669883 389215790 /nfs/dbraw/zinc/21/57/90/389215790.db2.gz CWCYDUQFBRITEH-MNOVXSKESA-N 1 1 253.346 0.256 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)C2CCOCC2)C[C@@H]1C ZINC000245884020 389220089 /nfs/dbraw/zinc/22/00/89/389220089.db2.gz IKCPAOCQISQLMJ-IHRRRGAJSA-N 1 1 298.427 0.963 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)C2CCOCC2)C[C@@H]1C ZINC000245884020 389220091 /nfs/dbraw/zinc/22/00/91/389220091.db2.gz IKCPAOCQISQLMJ-IHRRRGAJSA-N 1 1 298.427 0.963 10 0 CCAEMO C[NH+](C)C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132341450 389223809 /nfs/dbraw/zinc/22/38/09/389223809.db2.gz QUALQCIKXIYSEL-VXGBXAGGSA-N 1 1 287.404 0.508 10 0 CCAEMO CCc1noc([C@@H](C)N2CC[NH+](CCOCCO)CC2)n1 ZINC000132963368 389229727 /nfs/dbraw/zinc/22/97/27/389229727.db2.gz UGXABMOJOXPIDO-GFCCVEGCSA-N 1 1 298.387 0.320 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nccnc1N ZINC000246839020 389232220 /nfs/dbraw/zinc/23/22/20/389232220.db2.gz YKCCRYXRMASCBL-UWVGGRQHSA-N 1 1 261.329 0.368 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000247012225 389235063 /nfs/dbraw/zinc/23/50/63/389235063.db2.gz HEDQNVGTTGYACA-RDBSUJKOSA-N 1 1 298.431 0.345 10 0 CCAEMO CC[C@H](C)NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247064259 389236045 /nfs/dbraw/zinc/23/60/45/389236045.db2.gz GBKUOWDCPHDQQF-MELADBBJSA-N 1 1 285.432 0.678 10 0 CCAEMO CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247236511 389238025 /nfs/dbraw/zinc/23/80/25/389238025.db2.gz XIVSPNSYPZCJLK-ZIAGYGMSSA-N 1 1 283.416 0.554 10 0 CCAEMO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cn1 ZINC000408380288 389343326 /nfs/dbraw/zinc/34/33/26/389343326.db2.gz XBPUMQIUNVDBON-RTXFEEFZSA-N 1 1 275.356 0.944 10 0 CCAEMO Cc1cnc([C@@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)cn1 ZINC000408380288 389343330 /nfs/dbraw/zinc/34/33/30/389343330.db2.gz XBPUMQIUNVDBON-RTXFEEFZSA-N 1 1 275.356 0.944 10 0 CCAEMO Cc1c([C@H](C)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cnn1C ZINC000367103683 389321337 /nfs/dbraw/zinc/32/13/37/389321337.db2.gz QMROGQJNZDWBCN-FZMZJTMJSA-N 1 1 291.399 0.296 10 0 CCAEMO CCOCC[N@H+]1CCN(Cc2nnc(CC)[nH]2)C[C@H]1C ZINC000158350745 389340483 /nfs/dbraw/zinc/34/04/83/389340483.db2.gz GOHZBOITCFANOY-GFCCVEGCSA-N 1 1 281.404 0.910 10 0 CCAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000152907793 389294784 /nfs/dbraw/zinc/29/47/84/389294784.db2.gz SHYDHDZBMKEUBM-XQQFMLRXSA-N 1 1 279.384 0.442 10 0 CCAEMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[C@H](CCO)C1 ZINC000332911757 389391351 /nfs/dbraw/zinc/39/13/51/389391351.db2.gz ZHDYKVXRBKRHIU-CHWSQXEVSA-N 1 1 281.400 0.885 10 0 CCAEMO CC(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000332974100 389398140 /nfs/dbraw/zinc/39/81/40/389398140.db2.gz DVLKEECIQHMNNA-XQQFMLRXSA-N 1 1 270.373 0.494 10 0 CCAEMO CC(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000332974100 389398142 /nfs/dbraw/zinc/39/81/42/389398142.db2.gz DVLKEECIQHMNNA-XQQFMLRXSA-N 1 1 270.373 0.494 10 0 CCAEMO CC(C)C[C@@H](C)S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000158738896 389351176 /nfs/dbraw/zinc/35/11/76/389351176.db2.gz BHYRBXNDNGPRFT-CYBMUJFWSA-N 1 1 292.445 0.751 10 0 CCAEMO CC(C)C[C@@H](C)S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000158738896 389351179 /nfs/dbraw/zinc/35/11/79/389351179.db2.gz BHYRBXNDNGPRFT-CYBMUJFWSA-N 1 1 292.445 0.751 10 0 CCAEMO COCCOCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158857218 389352922 /nfs/dbraw/zinc/35/29/22/389352922.db2.gz WIEYHJHATURMRE-STQMWFEESA-N 1 1 272.389 0.884 10 0 CCAEMO CC[N@H+]1C[C@H](C)N(C(=O)CC[C@H]2CCC(=O)N2)C[C@@H]1C ZINC000333607575 389435607 /nfs/dbraw/zinc/43/56/07/389435607.db2.gz WDFSAIXCYRVWSR-RWMBFGLXSA-N 1 1 281.400 0.986 10 0 CCAEMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000334201484 389460395 /nfs/dbraw/zinc/46/03/95/389460395.db2.gz OGGMJJCUOHKVJJ-QWRGUYRKSA-N 1 1 265.357 0.256 10 0 CCAEMO c1cnn(CC[N@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173926792 389511685 /nfs/dbraw/zinc/51/16/85/389511685.db2.gz QANGDYAMCJPGHT-CYBMUJFWSA-N 1 1 250.346 0.290 10 0 CCAEMO CC[C@H](O)CN1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000174090400 389515298 /nfs/dbraw/zinc/51/52/98/389515298.db2.gz GUWNZPKKUNEJPV-KBPBESRZSA-N 1 1 256.390 0.944 10 0 CCAEMO C[C@H]1CN(CC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CCO1 ZINC000373858194 389522136 /nfs/dbraw/zinc/52/21/36/389522136.db2.gz FOPMXUYFFKKWNW-QWHCGFSZSA-N 1 1 279.388 0.705 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCN1C(=O)CNC1=O ZINC000175043794 389534008 /nfs/dbraw/zinc/53/40/08/389534008.db2.gz JMAQROLQMZODLY-CHWSQXEVSA-N 1 1 294.399 0.487 10 0 CCAEMO C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@@H](CO)C2)C[C@H](C)O1 ZINC000374050998 389540328 /nfs/dbraw/zinc/54/03/28/389540328.db2.gz PNYLBHNYCWXIRS-HZSPNIEDSA-N 1 1 284.400 0.717 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)CC[C@@H]2CCOC2)C[C@H]1C ZINC000176097670 389552650 /nfs/dbraw/zinc/55/26/50/389552650.db2.gz LNKYOWSWMXIOHW-ZIAGYGMSSA-N 1 1 284.400 0.982 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)CC[C@@H]2CCOC2)C[C@H]1C ZINC000176097670 389552657 /nfs/dbraw/zinc/55/26/57/389552657.db2.gz LNKYOWSWMXIOHW-ZIAGYGMSSA-N 1 1 284.400 0.982 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1nnnn1C ZINC000374208425 389557752 /nfs/dbraw/zinc/55/77/52/389557752.db2.gz LRPDUPPOBFTBMC-NEPJUHHUSA-N 1 1 264.377 0.659 10 0 CCAEMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(C(N)=O)cn2)C1 ZINC000374349670 389567854 /nfs/dbraw/zinc/56/78/54/389567854.db2.gz IHBMKUAPFYSYHK-NSHDSACASA-N 1 1 271.324 0.908 10 0 CCAEMO CC[C@@H]1CN(C(=O)N2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000173269785 389500507 /nfs/dbraw/zinc/50/05/07/389500507.db2.gz LOOOFOLJRSSGKW-CHWSQXEVSA-N 1 1 285.388 0.216 10 0 CCAEMO NS(=O)(=O)N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274487801 389504143 /nfs/dbraw/zinc/50/41/43/389504143.db2.gz DRZBXMCBQVTAEI-CHWSQXEVSA-N 1 1 281.381 0.364 10 0 CCAEMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCCC[C@@H](CO)C2)C1 ZINC000374864420 389614753 /nfs/dbraw/zinc/61/47/53/389614753.db2.gz RYSUQOXOTVMQDU-QWHCGFSZSA-N 1 1 290.429 0.362 10 0 CCAEMO C[C@H]1C[N@@H+](CCCS(C)(=O)=O)C[C@@H]1N1CCOCC1 ZINC000177267648 389577641 /nfs/dbraw/zinc/57/76/41/389577641.db2.gz ABRIAMBQAKVVIC-STQMWFEESA-N 1 1 290.429 0.074 10 0 CCAEMO CCOC(=O)NCC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000177423312 389583821 /nfs/dbraw/zinc/58/38/21/389583821.db2.gz OLYVKQOFGUYSOA-NSHDSACASA-N 1 1 271.361 0.675 10 0 CCAEMO CC(C)S(=O)(=O)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000178227064 389600948 /nfs/dbraw/zinc/60/09/48/389600948.db2.gz NOADKZYCAJQHIF-CHWSQXEVSA-N 1 1 274.430 0.978 10 0 CCAEMO COc1ccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)cc1F ZINC000375529930 389684812 /nfs/dbraw/zinc/68/48/12/389684812.db2.gz MZWZTJZMYWQJIS-CQSZACIVSA-N 1 1 282.315 0.647 10 0 CCAEMO C[C@@H](c1cnn(C)c1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000181383127 389685443 /nfs/dbraw/zinc/68/54/43/389685443.db2.gz PCAHKNYTVCOISR-JQWIXIFHSA-N 1 1 266.345 0.270 10 0 CCAEMO C[C@@H](c1cnn(C)c1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000181383127 389685447 /nfs/dbraw/zinc/68/54/47/389685447.db2.gz PCAHKNYTVCOISR-JQWIXIFHSA-N 1 1 266.345 0.270 10 0 CCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCC(=O)NCC2CC2)[C@@H](C)C1 ZINC000181494076 389686986 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285.384 0.928 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnc(N)cn1 ZINC000228577026 352076791 /nfs/dbraw/zinc/07/67/91/352076791.db2.gz ASWKUKOACWLSCZ-VHSXEESVSA-N 1 1 261.329 0.368 10 0 CCAEMO CNc1cnc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC000230105728 352103297 /nfs/dbraw/zinc/10/32/97/352103297.db2.gz LFIDZMGKBGUCGP-JTQLQIEISA-N 1 1 263.345 0.542 10 0 CCAEMO C[NH2+]C[C@@H](C)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000237165249 352248348 /nfs/dbraw/zinc/24/83/48/352248348.db2.gz ZHOYHETZQGDYEQ-OLZOCXBDSA-N 1 1 283.416 0.554 10 0 CCAEMO CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@H+]1CC ZINC000245481574 352325430 /nfs/dbraw/zinc/32/54/30/352325430.db2.gz YKINRRSBHBLFQE-VXGBXAGGSA-N 1 1 284.404 0.637 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ncn(C)n1 ZINC000245565237 352329529 /nfs/dbraw/zinc/32/95/29/352329529.db2.gz RMHCORABWKBJKM-MNOVXSKESA-N 1 1 278.360 0.193 10 0 CCAEMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000246298556 352359649 /nfs/dbraw/zinc/35/96/49/352359649.db2.gz XIOMVHCWNLXSGP-ZIAGYGMSSA-N 1 1 291.351 0.392 10 0 CCAEMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000246298556 352359652 /nfs/dbraw/zinc/35/96/52/352359652.db2.gz XIOMVHCWNLXSGP-ZIAGYGMSSA-N 1 1 291.351 0.392 10 0 CCAEMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246507653 352370850 /nfs/dbraw/zinc/37/08/50/352370850.db2.gz FHQBDZGAGPTJGR-TUAOUCFPSA-N 1 1 284.356 0.165 10 0 CCAEMO COc1cccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000246722285 352380654 /nfs/dbraw/zinc/38/06/54/352380654.db2.gz KLSCPUJCFZNJOC-OLZOCXBDSA-N 1 1 279.384 0.977 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)C1CC1 ZINC000247055295 352395998 /nfs/dbraw/zinc/39/59/98/352395998.db2.gz HDLHWSHTEWZFLI-AAEUAGOBSA-N 1 1 294.399 0.391 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)C(C)(C)C ZINC000247464408 352415926 /nfs/dbraw/zinc/41/59/26/352415926.db2.gz RCTOPBNEBUQPSG-RYUDHWBXSA-N 1 1 281.400 0.844 10 0 CCAEMO C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247682565 352423900 /nfs/dbraw/zinc/42/39/00/352423900.db2.gz RUZVLUWNCQIGJA-MXWKQRLJSA-N 1 1 279.344 0.349 10 0 CCAEMO Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000247701182 352424500 /nfs/dbraw/zinc/42/45/00/352424500.db2.gz XXKXCRGFOQQTMX-QWHCGFSZSA-N 1 1 264.325 0.215 10 0 CCAEMO Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000247701182 352424504 /nfs/dbraw/zinc/42/45/04/352424504.db2.gz XXKXCRGFOQQTMX-QWHCGFSZSA-N 1 1 264.325 0.215 10 0 CCAEMO CC(C)CO[C@H]1CC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000247791819 352426257 /nfs/dbraw/zinc/42/62/57/352426257.db2.gz ZEPSGBJVNNTWQS-KGLIPLIRSA-N 1 1 284.400 0.717 10 0 CCAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247926959 352427286 /nfs/dbraw/zinc/42/72/86/352427286.db2.gz BQSYYKCDCXVCJB-LZWOXQAQSA-N 1 1 296.411 0.597 10 0 CCAEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC[C@H]1CCCO1 ZINC000247981685 352429237 /nfs/dbraw/zinc/42/92/37/352429237.db2.gz MYMAIBGBCFZSKN-SQWLQELKSA-N 1 1 296.411 0.909 10 0 CCAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3nccnc3N)CC[C@H]21 ZINC000248127609 352431451 /nfs/dbraw/zinc/43/14/51/352431451.db2.gz OCEORSAFRUJFGI-GHMZBOCLSA-N 1 1 275.356 0.615 10 0 CCAEMO CC[C@@H]1CN(C(=O)[C@H]2CCOC2)CC[N@H+]1CCOC ZINC000247274705 352407139 /nfs/dbraw/zinc/40/71/39/352407139.db2.gz ZVSCAWFLEIFZQR-QWHCGFSZSA-N 1 1 270.373 0.592 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)[C@H](C)OCC2CC2)C[C@H]1C ZINC000247252221 352407351 /nfs/dbraw/zinc/40/73/51/352407351.db2.gz XUMSVYAYOMUCQO-OLZOCXBDSA-N 1 1 284.400 0.981 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)[C@H](C)OCC2CC2)C[C@H]1C ZINC000247252221 352407354 /nfs/dbraw/zinc/40/73/54/352407354.db2.gz XUMSVYAYOMUCQO-OLZOCXBDSA-N 1 1 284.400 0.981 10 0 CCAEMO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000248950226 352469010 /nfs/dbraw/zinc/46/90/10/352469010.db2.gz AZVGDCPAJNFJPZ-JHJVBQTASA-N 1 1 283.416 0.681 10 0 CCAEMO NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CC12CCOCC2 ZINC000257195238 352550870 /nfs/dbraw/zinc/55/08/70/352550870.db2.gz VRBWUJOHAKPKQY-ZDUSSCGKSA-N 1 1 275.352 0.796 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000253356106 352531512 /nfs/dbraw/zinc/53/15/12/352531512.db2.gz WMKRAOUPSVOTDW-MNOVXSKESA-N 1 1 270.377 0.247 10 0 CCAEMO CN1CCO[C@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)C[C@@H]21 ZINC000284021977 353544255 /nfs/dbraw/zinc/54/42/55/353544255.db2.gz JJFFWLUNIJWEQS-KBPBESRZSA-N 1 1 290.367 0.832 10 0 CCAEMO O=C(NCC[S@@](=O)Cc1ccccc1)[C@H]1CSC[NH2+]1 ZINC000159514956 188428928 /nfs/dbraw/zinc/42/89/28/188428928.db2.gz QPIVSKDSOQRBJY-BLVKFPJESA-N 1 1 298.433 0.714 10 0 CCAEMO Cn1ncc2c1ncnc2N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000284636951 353556646 /nfs/dbraw/zinc/55/66/46/353556646.db2.gz VJDNQYXTQGMJMC-VXGBXAGGSA-N 1 1 288.355 0.273 10 0 CCAEMO NC(=O)[C@@]1(O)CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000286276579 353573929 /nfs/dbraw/zinc/57/39/29/353573929.db2.gz SEOXXXAANSYAOD-OAHLLOKOSA-N 1 1 278.352 0.768 10 0 CCAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)[C@H](O)C2)C[C@@H](C)O1 ZINC000299904317 354055827 /nfs/dbraw/zinc/05/58/27/354055827.db2.gz KSVYVRVECFBRSK-UMSGYPCISA-N 1 1 270.373 0.325 10 0 CCAEMO COC(=O)c1cccnc1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000305931481 354169599 /nfs/dbraw/zinc/16/95/99/354169599.db2.gz JXGZUAKDVSSRCV-CYBMUJFWSA-N 1 1 250.298 0.825 10 0 CCAEMO COC(=O)c1cccnc1C[N@H+]1CC[C@@](C)(O)C1 ZINC000305931481 354169602 /nfs/dbraw/zinc/16/96/02/354169602.db2.gz JXGZUAKDVSSRCV-CYBMUJFWSA-N 1 1 250.298 0.825 10 0 CCAEMO NC(=O)[C@]1(F)C[N@@H+](Cc2ccccc2)CC12COC2 ZINC000306291753 354174441 /nfs/dbraw/zinc/17/44/41/354174441.db2.gz UDPIMJPRZYUPMZ-CQSZACIVSA-N 1 1 264.300 0.712 10 0 CCAEMO O=C1[C@H]([N@H+]2CCC[C@@H](n3cncn3)C2)CCN1C1CC1 ZINC000328688438 202012452 /nfs/dbraw/zinc/01/24/52/202012452.db2.gz ZXYGNRWBIQLLFN-CHWSQXEVSA-N 1 1 275.356 0.678 10 0 CCAEMO O=C1[C@H]([N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CCN1C1CC1 ZINC000328688284 202012772 /nfs/dbraw/zinc/01/27/72/202012772.db2.gz ZTVPXFHIGHZNMR-ZYHUDNBSSA-N 1 1 275.356 0.747 10 0 CCAEMO COC(=O)C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000311853779 354204231 /nfs/dbraw/zinc/20/42/31/354204231.db2.gz SZEUOZGYVJMHHB-FRRDWIJNSA-N 1 1 271.357 0.801 10 0 CCAEMO COC(=O)C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H](O)C2)CCO1 ZINC000311853779 354204234 /nfs/dbraw/zinc/20/42/34/354204234.db2.gz SZEUOZGYVJMHHB-FRRDWIJNSA-N 1 1 271.357 0.801 10 0 CCAEMO CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000328636944 354243257 /nfs/dbraw/zinc/24/32/57/354243257.db2.gz VUPLKAOHZAMJAV-CHWSQXEVSA-N 1 1 292.383 0.235 10 0 CCAEMO CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000328636944 354243261 /nfs/dbraw/zinc/24/32/61/354243261.db2.gz VUPLKAOHZAMJAV-CHWSQXEVSA-N 1 1 292.383 0.235 10 0 CCAEMO Cn1nncc1CN1CCO[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000328641288 354244058 /nfs/dbraw/zinc/24/40/58/354244058.db2.gz QOLWCAGQYWYWTM-CQSZACIVSA-N 1 1 279.388 0.358 10 0 CCAEMO C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCc2nccn2C1 ZINC000328645103 354245619 /nfs/dbraw/zinc/24/56/19/354245619.db2.gz RYOLNQGSRTZUQP-CYBMUJFWSA-N 1 1 276.384 1.000 10 0 CCAEMO CN(C[C@@H]1CCc2[nH+]ccn2C1)S(=O)(=O)C1CC1 ZINC000328619486 354239157 /nfs/dbraw/zinc/23/91/57/354239157.db2.gz FVXFPLOCXGCIKM-JTQLQIEISA-N 1 1 269.370 0.870 10 0 CCAEMO CCN(CC)S(=O)(=O)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000330364987 354326170 /nfs/dbraw/zinc/32/61/70/354326170.db2.gz BXOSUQVUSPBXCA-CHWSQXEVSA-N 1 1 291.461 0.588 10 0 CCAEMO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000330364987 354326176 /nfs/dbraw/zinc/32/61/76/354326176.db2.gz BXOSUQVUSPBXCA-CHWSQXEVSA-N 1 1 291.461 0.588 10 0 CCAEMO C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCS1 ZINC000334515747 354883787 /nfs/dbraw/zinc/88/37/87/354883787.db2.gz SLJXYNHGWQQYBX-NWDGAFQWSA-N 1 1 297.424 0.257 10 0 CCAEMO C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCS1 ZINC000334515746 354884193 /nfs/dbraw/zinc/88/41/93/354884193.db2.gz SLJXYNHGWQQYBX-NEPJUHHUSA-N 1 1 297.424 0.257 10 0 CCAEMO C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)[C@@H]2C1 ZINC000329459230 283071445 /nfs/dbraw/zinc/07/14/45/283071445.db2.gz ROTJKMGOIKHXLW-OUAUKWLOSA-N 1 1 251.330 0.515 10 0 CCAEMO C[C@H]1CN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)CCO1 ZINC000338765185 355415344 /nfs/dbraw/zinc/41/53/44/355415344.db2.gz DBGMOYDJZZFWCL-RYUDHWBXSA-N 1 1 278.356 0.715 10 0 CCAEMO O=C([C@H]1CNCCO1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000363747950 138093030 /nfs/dbraw/zinc/09/30/30/138093030.db2.gz UTGZFTPTSYVYFR-UONOGXRCSA-N 1 1 281.400 0.452 10 0 CCAEMO C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000610001450 363531831 /nfs/dbraw/zinc/53/18/31/363531831.db2.gz HZVPQCMWLGGAGM-NWDGAFQWSA-N 1 1 272.389 0.979 10 0 CCAEMO C[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000610001450 363531836 /nfs/dbraw/zinc/53/18/36/363531836.db2.gz HZVPQCMWLGGAGM-NWDGAFQWSA-N 1 1 272.389 0.979 10 0 CCAEMO CCOC(=O)[C@H](CC)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000610369352 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GZCCEWKMCQOHTD-VHSXEESVSA-N 1 1 252.318 0.667 10 0 CCAEMO CN(C)Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000333153069 205075331 /nfs/dbraw/zinc/07/53/31/205075331.db2.gz GZCCEWKMCQOHTD-VHSXEESVSA-N 1 1 252.318 0.667 10 0 CCAEMO COC(=O)[C@H]1CC[N@H+](CC(=O)NCC(C)C)C[C@H]1C ZINC000191834020 284363470 /nfs/dbraw/zinc/36/34/70/284363470.db2.gz CYTCBDPTGHJTCD-NEPJUHHUSA-N 1 1 270.373 0.890 10 0 CCAEMO COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC(C)C)C[C@H]1C ZINC000191834020 284363474 /nfs/dbraw/zinc/36/34/74/284363474.db2.gz CYTCBDPTGHJTCD-NEPJUHHUSA-N 1 1 270.373 0.890 10 0 CCAEMO Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)[nH]1 ZINC000640866199 376580733 /nfs/dbraw/zinc/58/07/33/376580733.db2.gz KDFILYLCKXZCLC-XQQFMLRXSA-N 1 1 292.383 0.744 10 0 CCAEMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ns1 ZINC000278735389 194129439 /nfs/dbraw/zinc/12/94/39/194129439.db2.gz YOIZQWFIEXUWNR-NXEZZACHSA-N 1 1 283.397 0.979 10 0 CCAEMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ns1 ZINC000278735389 194129440 /nfs/dbraw/zinc/12/94/40/194129440.db2.gz YOIZQWFIEXUWNR-NXEZZACHSA-N 1 1 283.397 0.979 10 0 CCAEMO O=C(C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21)N1CCC1 ZINC000334796957 207092588 /nfs/dbraw/zinc/09/25/88/207092588.db2.gz OMUTVUFTCHLZTA-NWDGAFQWSA-N 1 1 250.342 0.720 10 0 CCAEMO CNC(=O)[C@H](NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000246265202 285012560 /nfs/dbraw/zinc/01/25/60/285012560.db2.gz YCLJGWAMPDQRNF-YNEHKIRRSA-N 1 1 298.431 0.785 10 0 CCAEMO CC(C)c1nnnn1CC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247034914 285041357 /nfs/dbraw/zinc/04/13/57/285041357.db2.gz HWCHYZULMWNUGE-NWDGAFQWSA-N 1 1 294.403 0.641 10 0 CCAEMO CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCN1C[C@H](C)O ZINC000247044252 285041379 /nfs/dbraw/zinc/04/13/79/285041379.db2.gz YDLABRDNUBZQRG-UONOGXRCSA-N 1 1 285.432 0.630 10 0 CCAEMO CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCN1C[C@H](C)O ZINC000247044252 285041382 /nfs/dbraw/zinc/04/13/82/285041382.db2.gz YDLABRDNUBZQRG-UONOGXRCSA-N 1 1 285.432 0.630 10 0 CCAEMO Cc1nnc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)o1 ZINC000247232417 285045569 /nfs/dbraw/zinc/04/55/69/285045569.db2.gz RICOHCHLMRIRKV-ZJUUUORDSA-N 1 1 254.334 0.265 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000247774584 285059541 /nfs/dbraw/zinc/05/95/41/285059541.db2.gz QDYRGQMKLXELMU-GHMZBOCLSA-N 1 1 268.361 0.001 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@]2(C)CCCO2)C[C@@H]1C ZINC000248600278 285071056 /nfs/dbraw/zinc/07/10/56/285071056.db2.gz IYJYCKLMRYGTOM-YDHLFZDLSA-N 1 1 299.415 0.652 10 0 CCAEMO C[C@@H](C(=O)N1CCS[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000335316468 208175796 /nfs/dbraw/zinc/17/57/96/208175796.db2.gz MYXCQKRDPBMYOH-RYUDHWBXSA-N 1 1 271.430 0.586 10 0 CCAEMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CC(F)(F)CN1 ZINC000335323454 208187190 /nfs/dbraw/zinc/18/71/90/208187190.db2.gz XDYUXYOSCREVFN-MNOVXSKESA-N 1 1 275.343 0.784 10 0 CCAEMO CC[C@H]1CN(Cc2cocn2)CC[N@H+]1C[C@H](C)O ZINC000249254332 285107336 /nfs/dbraw/zinc/10/73/36/285107336.db2.gz HHJDKVVZPYEYRQ-AAEUAGOBSA-N 1 1 253.346 0.952 10 0 CCAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000249839983 285140817 /nfs/dbraw/zinc/14/08/17/285140817.db2.gz VUVCKDZZOGMIGB-WOPDTQHZSA-N 1 1 267.373 0.359 10 0 CCAEMO COC[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H](C)O1 ZINC000252007679 285151686 /nfs/dbraw/zinc/15/16/86/285151686.db2.gz XFARVRKVGVRVPP-XQQFMLRXSA-N 1 1 275.389 0.898 10 0 CCAEMO COC[C@@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H](C)O1 ZINC000252007679 285151690 /nfs/dbraw/zinc/15/16/90/285151690.db2.gz XFARVRKVGVRVPP-XQQFMLRXSA-N 1 1 275.389 0.898 10 0 CCAEMO COC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195269270 285247745 /nfs/dbraw/zinc/24/77/45/285247745.db2.gz MKPJFIJMZKNEPR-HOTGVXAUSA-N 1 1 293.411 0.843 10 0 CCAEMO C[N@H+]1CC[C@@]2(C1)C(=O)NC[C@@H]2COc1ccccn1 ZINC000248089886 256691384 /nfs/dbraw/zinc/69/13/84/256691384.db2.gz UVGSMQJYJLHLDS-RISCZKNCSA-N 1 1 261.325 0.528 10 0 CCAEMO CN1CCO[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000284827044 388782743 /nfs/dbraw/zinc/78/27/43/388782743.db2.gz VJBCYIGZANYXEA-PWSUYJOCSA-N 1 1 277.324 0.332 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](c3nn[nH]n3)C[C@H]2C1 ZINC000012506806 388786023 /nfs/dbraw/zinc/78/60/23/388786023.db2.gz KPJGJAMQQDPGGT-UWVGGRQHSA-N 1 1 294.359 0.608 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](c3nn[nH]n3)C[C@H]2C1 ZINC000012506806 388786029 /nfs/dbraw/zinc/78/60/29/388786029.db2.gz KPJGJAMQQDPGGT-UWVGGRQHSA-N 1 1 294.359 0.608 10 0 CCAEMO COc1c(C)cnc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000185142201 388788522 /nfs/dbraw/zinc/78/85/22/388788522.db2.gz OHSAPIDUXUJFFM-VXGBXAGGSA-N 1 1 266.341 0.635 10 0 CCAEMO COc1c(C)c[nH+]c(CN2C[C@H](O)C[C@@H]2CO)c1C ZINC000185142201 388788529 /nfs/dbraw/zinc/78/85/29/388788529.db2.gz OHSAPIDUXUJFFM-VXGBXAGGSA-N 1 1 266.341 0.635 10 0 CCAEMO C[C@H]1CN(C(=O)N2CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000186939670 388860162 /nfs/dbraw/zinc/86/01/62/388860162.db2.gz DMRDZYRMHJVGPK-LBPRGKRZSA-N 1 1 285.388 0.216 10 0 CCAEMO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000187740783 388894026 /nfs/dbraw/zinc/89/40/26/388894026.db2.gz ZRXIITBONOTDCK-SECBINFHSA-N 1 1 259.313 0.734 10 0 CCAEMO C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000049096571 388916545 /nfs/dbraw/zinc/91/65/45/388916545.db2.gz FBXFKENHHBUUSE-GHMZBOCLSA-N 1 1 279.340 0.608 10 0 CCAEMO C[C@@H]1C[C@@H](NC(=O)N2CCCN(C)C(=O)C2)C[N@H+]1C1CC1 ZINC000188313388 388924576 /nfs/dbraw/zinc/92/45/76/388924576.db2.gz DGVGAFTTXWYIQO-VXGBXAGGSA-N 1 1 294.399 0.485 10 0 CCAEMO CC[C@H]1C[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCS1 ZINC000076071990 388985546 /nfs/dbraw/zinc/98/55/46/388985546.db2.gz IJLPNWGRVAYPMR-RYUDHWBXSA-N 1 1 299.440 0.538 10 0 CCAEMO CC(C)[N@@H+](C)CCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191367246 389010559 /nfs/dbraw/zinc/01/05/59/389010559.db2.gz GDWQJAOOUBQICY-LLVKDONJSA-N 1 1 270.377 0.247 10 0 CCAEMO CN(C)c1ccnc(N2CCC([N@@H+](C)CCO)CC2)n1 ZINC000302021504 389062598 /nfs/dbraw/zinc/06/25/98/389062598.db2.gz FNWZGTXCPDUIJW-UHFFFAOYSA-N 1 1 279.388 0.436 10 0 CCAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(=O)N2CCCC2)o1 ZINC000193283314 389065943 /nfs/dbraw/zinc/06/59/43/389065943.db2.gz IUXDDMYGZJDWNV-LBPRGKRZSA-N 1 1 293.367 0.977 10 0 CCAEMO COC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309682867 389093819 /nfs/dbraw/zinc/09/38/19/389093819.db2.gz BFOFOLXIYWKTFJ-LSDHHAIUSA-N 1 1 291.395 0.598 10 0 CCAEMO COC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309682867 389093821 /nfs/dbraw/zinc/09/38/21/389093821.db2.gz BFOFOLXIYWKTFJ-LSDHHAIUSA-N 1 1 291.395 0.598 10 0 CCAEMO O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)C1(O)CCSCC1 ZINC000305702648 389087346 /nfs/dbraw/zinc/08/73/46/389087346.db2.gz DILUVXKFSKOPJT-GFCCVEGCSA-N 1 1 284.425 0.941 10 0 CCAEMO O=C(N1CC[N@H+]2CCCC[C@@H]2C1)C1(O)CCSCC1 ZINC000305702648 389087347 /nfs/dbraw/zinc/08/73/47/389087347.db2.gz DILUVXKFSKOPJT-GFCCVEGCSA-N 1 1 284.425 0.941 10 0 CCAEMO NC(=O)[C@]1(O)CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000310937555 389099986 /nfs/dbraw/zinc/09/99/86/389099986.db2.gz VGMIVTYHCAGOIT-KOLCDFICSA-N 1 1 262.300 0.734 10 0 CCAEMO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000219944792 389138300 /nfs/dbraw/zinc/13/83/00/389138300.db2.gz OQGXWJATPHHLKJ-VXGBXAGGSA-N 1 1 253.390 0.975 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccnn2C)C[C@H]1C ZINC000124930473 389163514 /nfs/dbraw/zinc/16/35/14/389163514.db2.gz XZASBKGKLYHARA-GHMZBOCLSA-N 1 1 281.360 0.339 10 0 CCAEMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125256963 389164662 /nfs/dbraw/zinc/16/46/62/389164662.db2.gz ASJNMDIZYLLQSC-RAIGVLPGSA-N 1 1 279.384 0.726 10 0 CCAEMO CN1C(=O)C[C@H]([N@H+]2CC[C@H]3OCCC[C@@H]3C2)C1=O ZINC000127813942 389175348 /nfs/dbraw/zinc/17/53/48/389175348.db2.gz SADPMDDVGCDCKJ-OUAUKWLOSA-N 1 1 252.314 0.245 10 0 CCAEMO C[C@@H]1C[N@@H+](CCC2OCCO2)C[C@H]1N1CCOCC1 ZINC000248602074 389248051 /nfs/dbraw/zinc/24/80/51/389248051.db2.gz DBTIBYJTDBKYCX-CHWSQXEVSA-N 1 1 270.373 0.402 10 0 CCAEMO C[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000248670690 389248509 /nfs/dbraw/zinc/24/85/09/389248509.db2.gz BBKPDQIJWXYUSA-FRRDWIJNSA-N 1 1 287.429 0.884 10 0 CCAEMO CC(C)N1CC[C@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000245476390 389209985 /nfs/dbraw/zinc/20/99/85/389209985.db2.gz STAQYQGZQALTHJ-KGLIPLIRSA-N 1 1 281.400 0.402 10 0 CCAEMO CC(C)N1CC[C@H](N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1=O ZINC000245477922 389210187 /nfs/dbraw/zinc/21/01/87/389210187.db2.gz UXEUAHROZHSPBL-IHRRRGAJSA-N 1 1 283.416 0.383 10 0 CCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCNC(=O)CC2)[C@@H](C)C1 ZINC000131741430 389217158 /nfs/dbraw/zinc/21/71/58/389217158.db2.gz FJCDGJKQAMOWQG-RYUDHWBXSA-N 1 1 282.388 0.247 10 0 CCAEMO CC[N@H+](C[C@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000245910117 389221268 /nfs/dbraw/zinc/22/12/68/389221268.db2.gz DHTSPDRQMBBWJR-RYUDHWBXSA-N 1 1 293.429 0.671 10 0 CCAEMO CC[N@@H+](C[C@H](O)COC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000245910117 389221271 /nfs/dbraw/zinc/22/12/71/389221271.db2.gz DHTSPDRQMBBWJR-RYUDHWBXSA-N 1 1 293.429 0.671 10 0 CCAEMO C[C@H](NC(=O)C[N@H+]1CC[C@H]2OCCC[C@H]2C1)C(=O)N(C)C ZINC000246633567 389230760 /nfs/dbraw/zinc/23/07/60/389230760.db2.gz KLOPEVCGPHFZLS-RWMBFGLXSA-N 1 1 297.399 0.080 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC(=O)N(C)C)C1 ZINC000246741900 389231967 /nfs/dbraw/zinc/23/19/67/389231967.db2.gz BABCLVZQTKRGDU-GHMZBOCLSA-N 1 1 270.377 0.103 10 0 CCAEMO CC[C@H](O)C[NH+]1CCN(CC[C@@H]2CCCO2)CC1 ZINC000189448941 269732129 /nfs/dbraw/zinc/73/21/29/269732129.db2.gz AHTYJHQGAJULCK-KBPBESRZSA-N 1 1 256.390 0.944 10 0 CCAEMO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000158007974 389334409 /nfs/dbraw/zinc/33/44/09/389334409.db2.gz PQGVMYTUFWAJHE-ZDUSSCGKSA-N 1 1 284.400 0.765 10 0 CCAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C(=O)NC ZINC000158383685 389340990 /nfs/dbraw/zinc/34/09/90/389340990.db2.gz ZWVPGQFCDMYVBF-CHWSQXEVSA-N 1 1 296.415 0.781 10 0 CCAEMO COC(=O)CC[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000152296250 389286548 /nfs/dbraw/zinc/28/65/48/389286548.db2.gz ZUNVWYYRHQSRMI-CQSZACIVSA-N 1 1 283.416 0.651 10 0 CCAEMO C[C@]1(CNC(=O)[C@H]2COCC[NH2+]2)CCCC[C@@H]1O ZINC000262623627 389290301 /nfs/dbraw/zinc/29/03/01/389290301.db2.gz JXNUSUAFVFKYBV-NTZNESFSSA-N 1 1 256.346 0.032 10 0 CCAEMO C[C@H](NC(=O)C[N@H+]1CC[C@H]2OCCC[C@@H]2C1)C(=O)N(C)C ZINC000152855818 389293882 /nfs/dbraw/zinc/29/38/82/389293882.db2.gz KLOPEVCGPHFZLS-YNEHKIRRSA-N 1 1 297.399 0.080 10 0 CCAEMO CCNC(=O)N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000153798617 389308780 /nfs/dbraw/zinc/30/87/80/389308780.db2.gz CWXPTYLHVSUOBN-GFCCVEGCSA-N 1 1 287.404 0.510 10 0 CCAEMO CNC(=O)c1cccnc1N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332767435 389368566 /nfs/dbraw/zinc/36/85/66/389368566.db2.gz FJHNRKNUINPQTA-CHWSQXEVSA-N 1 1 290.367 0.351 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCN1C(=O)CNC1=O ZINC000162107886 389414841 /nfs/dbraw/zinc/41/48/41/389414841.db2.gz 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CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000074660420 348997721 /nfs/dbraw/zinc/99/77/21/348997721.db2.gz RXLGATJRYWIFMQ-HZSPNIEDSA-N 1 1 282.432 0.968 10 0 CCAEMO CCNC(=O)C[NH+](CC(=O)NCC)[C@H](C)C1CC1 ZINC000073787641 348962067 /nfs/dbraw/zinc/96/20/67/348962067.db2.gz ZVXPWVYEWWYZPN-SNVBAGLBSA-N 1 1 255.362 0.359 10 0 CCAEMO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000085369098 349332706 /nfs/dbraw/zinc/33/27/06/349332706.db2.gz CKCPBKSGOIVSPE-GJZGRUSLSA-N 1 1 295.427 0.685 10 0 CCAEMO O=C(NCc1ccc(F)cc1F)[C@@H]1COCC[NH2+]1 ZINC000088372184 349365010 /nfs/dbraw/zinc/36/50/10/349365010.db2.gz FBXDJFNMXUVRMR-NSHDSACASA-N 1 1 256.252 0.569 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ncnn1C ZINC000091185397 180110752 /nfs/dbraw/zinc/11/07/52/180110752.db2.gz VWXOHGRMVWXQDY-NXEZZACHSA-N 1 1 264.333 0.516 10 0 CCAEMO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000130173191 350231579 /nfs/dbraw/zinc/23/15/79/350231579.db2.gz COEJQKKUABMGSE-GFCCVEGCSA-N 1 1 291.351 0.276 10 0 CCAEMO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000130173191 350231580 /nfs/dbraw/zinc/23/15/80/350231580.db2.gz COEJQKKUABMGSE-GFCCVEGCSA-N 1 1 291.351 0.276 10 0 CCAEMO C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000133568028 350339356 /nfs/dbraw/zinc/33/93/56/350339356.db2.gz OKHBUJZSNMSSDK-YPMHNXCESA-N 1 1 291.351 0.168 10 0 CCAEMO COCC[N@H+]1CCN(c2cncc(OCCO)n2)C[C@@H]1C ZINC000133327852 350332896 /nfs/dbraw/zinc/33/28/96/350332896.db2.gz IFOLLBMUPPMUNJ-LBPRGKRZSA-N 1 1 296.371 0.005 10 0 CCAEMO CC[N@@H+]1CCO[C@H](CNC(=O)Cc2ccccc2O)C1 ZINC000134705836 350373846 /nfs/dbraw/zinc/37/38/46/350373846.db2.gz LESOXYJOKKBBIE-CYBMUJFWSA-N 1 1 278.352 0.772 10 0 CCAEMO CC[N@H+]1CCO[C@H](CNC(=O)Cc2ccccc2O)C1 ZINC000134705836 350373848 /nfs/dbraw/zinc/37/38/48/350373848.db2.gz LESOXYJOKKBBIE-CYBMUJFWSA-N 1 1 278.352 0.772 10 0 CCAEMO C[C@@H](C(=O)N(C)C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000136069513 350413465 /nfs/dbraw/zinc/41/34/65/350413465.db2.gz URRIWDZTVKNACI-GJZGRUSLSA-N 1 1 296.459 0.565 10 0 CCAEMO CCNC(=O)CCN1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105827029 186073515 /nfs/dbraw/zinc/07/35/15/186073515.db2.gz TVLISGAGHMDVGS-CHWSQXEVSA-N 1 1 271.405 0.290 10 0 CCAEMO CCNC(=O)CC[N@@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105827029 186073516 /nfs/dbraw/zinc/07/35/16/186073516.db2.gz TVLISGAGHMDVGS-CHWSQXEVSA-N 1 1 271.405 0.290 10 0 CCAEMO CCNC(=O)CC[N@H+]1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000105827029 186073517 /nfs/dbraw/zinc/07/35/17/186073517.db2.gz TVLISGAGHMDVGS-CHWSQXEVSA-N 1 1 271.405 0.290 10 0 CCAEMO CCOC(=O)CCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105824644 186074529 /nfs/dbraw/zinc/07/45/29/186074529.db2.gz QUYHZVJIXMOEEG-CHWSQXEVSA-N 1 1 272.389 0.717 10 0 CCAEMO CCCCNC(=O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000105831853 186075875 /nfs/dbraw/zinc/07/58/75/186075875.db2.gz KQKAGBGZKGGKMZ-CYBMUJFWSA-N 1 1 271.405 0.555 10 0 CCAEMO CCCCNC(=O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000105831853 186075877 /nfs/dbraw/zinc/07/58/77/186075877.db2.gz KQKAGBGZKGGKMZ-CYBMUJFWSA-N 1 1 271.405 0.555 10 0 CCAEMO CCOCC[N@H+]1CCN(CC(=O)OC)C[C@@H]1CC ZINC000105915016 186089006 /nfs/dbraw/zinc/08/90/06/186089006.db2.gz YWMZHKZOTGRONY-LBPRGKRZSA-N 1 1 258.362 0.592 10 0 CCAEMO COC(=O)c1occc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000105933363 186092996 /nfs/dbraw/zinc/09/29/96/186092996.db2.gz FAUSBEHJDGJMAV-NSHDSACASA-N 1 1 268.313 0.486 10 0 CCAEMO COC(=O)c1occc1CNC[C@H]1C[N@H+](C)CCO1 ZINC000105933363 186092997 /nfs/dbraw/zinc/09/29/97/186092997.db2.gz FAUSBEHJDGJMAV-NSHDSACASA-N 1 1 268.313 0.486 10 0 CCAEMO COC(=O)c1occc1CNC[C@H]1C[N@@H+](C)CCO1 ZINC000105933363 186092998 /nfs/dbraw/zinc/09/29/98/186092998.db2.gz FAUSBEHJDGJMAV-NSHDSACASA-N 1 1 268.313 0.486 10 0 CCAEMO C[NH+](C)C[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)CCO1 ZINC000139355539 350446967 /nfs/dbraw/zinc/44/69/67/350446967.db2.gz BNGNTIHYVAOQSI-CYBMUJFWSA-N 1 1 295.387 0.307 10 0 CCAEMO Cc1cnn([C@@H]2CCC[N@H+](CCNS(C)(=O)=O)C2)c1 ZINC000107304858 186169539 /nfs/dbraw/zinc/16/95/39/186169539.db2.gz RVMYJIYFXAZYLI-GFCCVEGCSA-N 1 1 286.401 0.378 10 0 CCAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCNS(C)(=O)=O)C2)c1 ZINC000107304858 186169541 /nfs/dbraw/zinc/16/95/41/186169541.db2.gz RVMYJIYFXAZYLI-GFCCVEGCSA-N 1 1 286.401 0.378 10 0 CCAEMO COCC[N@@H+]1CCN(CC(=O)NCC2CCC2)C[C@@H]1C ZINC000108867431 186232659 /nfs/dbraw/zinc/23/26/59/186232659.db2.gz QYTOCMYSVYKZHK-ZDUSSCGKSA-N 1 1 283.416 0.555 10 0 CCAEMO COCC[N@H+]1CCN(CC(=O)NCC2CCC2)C[C@@H]1C ZINC000108867431 186232661 /nfs/dbraw/zinc/23/26/61/186232661.db2.gz QYTOCMYSVYKZHK-ZDUSSCGKSA-N 1 1 283.416 0.555 10 0 CCAEMO CC(C)c1nnnn1CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155352078 350616726 /nfs/dbraw/zinc/61/67/26/350616726.db2.gz HWCHYZULMWNUGE-RYUDHWBXSA-N 1 1 294.403 0.641 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCNC(=O)C2CC2)C1 ZINC000157734700 350649096 /nfs/dbraw/zinc/64/90/96/350649096.db2.gz HXEAZUPDICCVRP-YPMHNXCESA-N 1 1 296.415 0.541 10 0 CCAEMO CC(C)CO[C@@H]1CCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000163058897 350759402 /nfs/dbraw/zinc/75/94/02/350759402.db2.gz IIYGZHYZQWOVPC-VXGBXAGGSA-N 1 1 256.346 0.248 10 0 CCAEMO CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCOC)N(C)C ZINC000162014662 350733549 /nfs/dbraw/zinc/73/35/49/350733549.db2.gz ILHMAHVAUFXMES-ZIAGYGMSSA-N 1 1 285.432 0.944 10 0 CCAEMO CCC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCOC)N(C)C ZINC000162014662 350733552 /nfs/dbraw/zinc/73/35/52/350733552.db2.gz ILHMAHVAUFXMES-ZIAGYGMSSA-N 1 1 285.432 0.944 10 0 CCAEMO C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CSCN3)CC2)CCO1 ZINC000165907730 350793363 /nfs/dbraw/zinc/79/33/63/350793363.db2.gz KZGDHWGARRBLDX-AAEUAGOBSA-N 1 1 299.440 0.361 10 0 CCAEMO C[N@H+]1CCC[C@H]2CN(C(=O)C3=NNC(=O)CC3)CC[C@@H]21 ZINC000166773888 350801582 /nfs/dbraw/zinc/80/15/82/350801582.db2.gz PUEDTYHOJPIDIX-JQWIXIFHSA-N 1 1 278.356 0.195 10 0 CCAEMO COCC[N@@H+](C)CCNC(=O)N1CCS[C@@H](C)C1 ZINC000171439324 350909644 /nfs/dbraw/zinc/90/96/44/350909644.db2.gz HSNANCPNIKUWBQ-NSHDSACASA-N 1 1 275.418 0.712 10 0 CCAEMO Cc1n[nH]c(C)c1CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171880571 350940309 /nfs/dbraw/zinc/94/03/09/350940309.db2.gz XTZPRMUDHFAVCK-LBPRGKRZSA-N 1 1 262.357 0.876 10 0 CCAEMO O=C1CNC(=O)N1CCCN1CCC[N@H+](C2CC2)CC1 ZINC000170929191 350875384 /nfs/dbraw/zinc/87/53/84/350875384.db2.gz NJXWQLUNHQAUQX-UHFFFAOYSA-N 1 1 280.372 0.098 10 0 CCAEMO O=C1CNC(=O)N1CCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000170929191 350875387 /nfs/dbraw/zinc/87/53/87/350875387.db2.gz NJXWQLUNHQAUQX-UHFFFAOYSA-N 1 1 280.372 0.098 10 0 CCAEMO O=C1CNC(=O)N1CCC[N@H+]1CCCN(C2CC2)CC1 ZINC000170929191 350875391 /nfs/dbraw/zinc/87/53/91/350875391.db2.gz NJXWQLUNHQAUQX-UHFFFAOYSA-N 1 1 280.372 0.098 10 0 CCAEMO COC[C@@H](O)C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000171973401 350948937 /nfs/dbraw/zinc/94/89/37/350948937.db2.gz DUXONJJRGJOEDO-KBPBESRZSA-N 1 1 282.388 0.614 10 0 CCAEMO O=C(NCCn1cccn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172035079 350954231 /nfs/dbraw/zinc/95/42/31/350954231.db2.gz DJJJEXGMMLEPNV-GFCCVEGCSA-N 1 1 263.345 0.373 10 0 CCAEMO Cn1cc([C@@H]2CC[N@@H+](CCCN3CCOCC3)C2)cn1 ZINC000173653461 351048719 /nfs/dbraw/zinc/04/87/19/351048719.db2.gz JWYSBCZCNZPJMW-CQSZACIVSA-N 1 1 278.400 0.932 10 0 CCAEMO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC000174750253 351101911 /nfs/dbraw/zinc/10/19/11/351101911.db2.gz ZMALIEAJUMBBPG-MGPQQGTHSA-N 1 1 298.431 0.441 10 0 CCAEMO Cn1cc[nH+]c1CC1CCN(c2nccn(C)c2=O)CC1 ZINC000174742963 351102119 /nfs/dbraw/zinc/10/21/19/351102119.db2.gz BHEVPGREZJPFOR-UHFFFAOYSA-N 1 1 287.367 0.973 10 0 CCAEMO CC[N@@H+]1CCO[C@H](C(=O)NCCn2cc(C)cn2)C1 ZINC000174961698 351111960 /nfs/dbraw/zinc/11/19/60/351111960.db2.gz FWBVBCRQVYDGBI-LBPRGKRZSA-N 1 1 266.345 0.028 10 0 CCAEMO CC[N@H+]1CCO[C@H](C(=O)NCCn2cc(C)cn2)C1 ZINC000174961698 351111961 /nfs/dbraw/zinc/11/19/61/351111961.db2.gz FWBVBCRQVYDGBI-LBPRGKRZSA-N 1 1 266.345 0.028 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSCC(N)=O ZINC000174978827 351112989 /nfs/dbraw/zinc/11/29/89/351112989.db2.gz BWLPOCPCJGBKER-WDEREUQCSA-N 1 1 285.413 0.290 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCn1cncn1 ZINC000175016181 351114182 /nfs/dbraw/zinc/11/41/82/351114182.db2.gz UJQOINLAUKSDRH-QWHCGFSZSA-N 1 1 277.372 0.753 10 0 CCAEMO Cc1n[nH]cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174308097 351078265 /nfs/dbraw/zinc/07/82/65/351078265.db2.gz ZVOVAUIACJXYRI-VHSXEESVSA-N 1 1 266.345 0.245 10 0 CCAEMO Cc1n[nH]cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174308097 351078267 /nfs/dbraw/zinc/07/82/67/351078267.db2.gz ZVOVAUIACJXYRI-VHSXEESVSA-N 1 1 266.345 0.245 10 0 CCAEMO CCOCCNC(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000175975266 351152116 /nfs/dbraw/zinc/15/21/16/351152116.db2.gz JORJONVUDXONTQ-GFCCVEGCSA-N 1 1 280.372 0.362 10 0 CCAEMO CCOCCNC(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000175975266 351152123 /nfs/dbraw/zinc/15/21/23/351152123.db2.gz JORJONVUDXONTQ-GFCCVEGCSA-N 1 1 280.372 0.362 10 0 CCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cnn(C)c2)[C@@H](C)C1 ZINC000176499790 351177437 /nfs/dbraw/zinc/17/74/37/351177437.db2.gz ZHZJOFCDIGVSGV-AAEUAGOBSA-N 1 1 279.388 0.948 10 0 CCAEMO CCNC(=O)NC(=O)CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000175359569 351127310 /nfs/dbraw/zinc/12/73/10/351127310.db2.gz DUKLCEXKFIYPRF-NSHDSACASA-N 1 1 270.377 0.248 10 0 CCAEMO O=C(CCOC1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000175384923 351127842 /nfs/dbraw/zinc/12/78/42/351127842.db2.gz FISUGZBGNBNCEB-ZDUSSCGKSA-N 1 1 282.384 0.879 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)N(C)CCOC ZINC000175392742 351128311 /nfs/dbraw/zinc/12/83/11/351128311.db2.gz PXDRNDXBNIDGMH-LBPRGKRZSA-N 1 1 293.433 0.226 10 0 CCAEMO CCN(C)S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000175396122 351128386 /nfs/dbraw/zinc/12/83/86/351128386.db2.gz IKWMEFGHGAKOCS-NSHDSACASA-N 1 1 263.407 0.599 10 0 CCAEMO COCCCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175672506 351138634 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DAVQGEFIOYWLLD-GHMZBOCLSA-N 1 1 253.346 0.017 10 0 CCAEMO C[C@@H]1CN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)CC[C@@H]1O ZINC000408406939 278815632 /nfs/dbraw/zinc/81/56/32/278815632.db2.gz VTZPLAADYNZGAR-AGIUHOORSA-N 1 1 292.383 0.697 10 0 CCAEMO C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000336221964 279166630 /nfs/dbraw/zinc/16/66/30/279166630.db2.gz OVDPOIDTDAHYBA-PSASIEDQSA-N 1 1 265.279 0.144 10 0 CCAEMO C[C@H]1OCC[C@H]1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000333534531 280065657 /nfs/dbraw/zinc/06/56/57/280065657.db2.gz IKCDBOFPKNKQEH-FOGDFJRCSA-N 1 1 259.325 0.507 10 0 CCAEMO CC[C@@H]1CN(C(=O)[C@@]2(C)CCCO2)CC[N@H+]1C[C@H](C)O ZINC000408110365 280373313 /nfs/dbraw/zinc/37/33/13/280373313.db2.gz OTXRJPCWRATXIT-GZBFAFLISA-N 1 1 284.400 0.859 10 0 CCAEMO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)n2ncnc2n1 ZINC000301351257 280567891 /nfs/dbraw/zinc/56/78/91/280567891.db2.gz KBGYJCGMKNJEIZ-GFCCVEGCSA-N 1 1 288.355 0.344 10 0 CCAEMO CC[C@H]1CN(CCC(=O)NC(C)C)CC[N@H+]1C[C@@H](C)O ZINC000105827027 281165189 /nfs/dbraw/zinc/16/51/89/281165189.db2.gz LWGXMCFEZFECLD-KGLIPLIRSA-N 1 1 285.432 0.678 10 0 CCAEMO CC[C@H]1C[N@H+](CCC(=O)NC(C)C)CCN1C[C@@H](C)O ZINC000105827027 281165190 /nfs/dbraw/zinc/16/51/90/281165190.db2.gz LWGXMCFEZFECLD-KGLIPLIRSA-N 1 1 285.432 0.678 10 0 CCAEMO CC[C@H]1C[N@@H+](CCC(=O)NC(C)C)CCN1C[C@@H](C)O ZINC000105827027 281165191 /nfs/dbraw/zinc/16/51/91/281165191.db2.gz LWGXMCFEZFECLD-KGLIPLIRSA-N 1 1 285.432 0.678 10 0 CCAEMO CC[C@](C)(O)C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408047509 281291839 /nfs/dbraw/zinc/29/18/39/281291839.db2.gz HBLDYKNMWQOTQA-LSDHHAIUSA-N 1 1 284.400 0.597 10 0 CCAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CC[C@H](C)O1 ZINC000408123603 289039069 /nfs/dbraw/zinc/03/90/69/289039069.db2.gz HZMPDJJFLUNZEO-UMSGYPCISA-N 1 1 270.373 0.467 10 0 CCAEMO C[C@H](O)CN1CCN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1C ZINC000246178550 290091185 /nfs/dbraw/zinc/09/11/85/290091185.db2.gz BXQMQDJSJMJVCY-STQMWFEESA-N 1 1 283.416 0.290 10 0 CCAEMO OCC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000384746805 545085367 /nfs/dbraw/zinc/08/53/67/545085367.db2.gz RPJOIMJRTZETOC-SOUVJXGZSA-N 1 1 267.417 0.660 10 0 CCAEMO OCC[N@H+]1CCC[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000384746805 545085368 /nfs/dbraw/zinc/08/53/68/545085368.db2.gz RPJOIMJRTZETOC-SOUVJXGZSA-N 1 1 267.417 0.660 10 0 CCAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401798638 545090314 /nfs/dbraw/zinc/09/03/14/545090314.db2.gz LBVLQQQIKQLLKS-ZIAGYGMSSA-N 1 1 275.389 0.637 10 0 CCAEMO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000389574143 545086658 /nfs/dbraw/zinc/08/66/58/545086658.db2.gz WUSWCQWRDHQWBQ-SNVBAGLBSA-N 1 1 287.360 0.780 10 0 CCAEMO CC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(N)cc2F)C1 ZINC000389574143 545086659 /nfs/dbraw/zinc/08/66/59/545086659.db2.gz WUSWCQWRDHQWBQ-SNVBAGLBSA-N 1 1 287.360 0.780 10 0 CCAEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N1CCOCC1 ZINC000134760069 300307379 /nfs/dbraw/zinc/30/73/79/300307379.db2.gz BYPBDFHODGWQTG-QWHCGFSZSA-N 1 1 267.373 0.997 10 0 CCAEMO CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177687609 335379014 /nfs/dbraw/zinc/37/90/14/335379014.db2.gz ZZZKJKFSFUCFMH-UONOGXRCSA-N 1 1 281.400 0.986 10 0 CCAEMO COC(=O)c1cccnc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000385022535 336136079 /nfs/dbraw/zinc/13/60/79/336136079.db2.gz WVHVLMCJICCLMI-NXEZZACHSA-N 1 1 250.298 0.823 10 0 CCAEMO COC(=O)c1cccnc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC000385022535 336136081 /nfs/dbraw/zinc/13/60/81/336136081.db2.gz WVHVLMCJICCLMI-NXEZZACHSA-N 1 1 250.298 0.823 10 0 CCAEMO CC(C)C(=O)NCC[N@H+](C)[C@@H]1CCCCNC1=O ZINC000157676433 519490176 /nfs/dbraw/zinc/49/01/76/519490176.db2.gz QORXACWIRZUKFB-LLVKDONJSA-N 1 1 255.362 0.359 10 0 CCAEMO CC(C)C(=O)NCC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000157676433 519490184 /nfs/dbraw/zinc/49/01/84/519490184.db2.gz QORXACWIRZUKFB-LLVKDONJSA-N 1 1 255.362 0.359 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2nccn(C)c2=O)C1 ZINC000183867640 519692234 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O=C(N[C@@H]1CCCC[C@H]1CO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000364976929 526889070 /nfs/dbraw/zinc/88/90/70/526889070.db2.gz GFHRTIOBTQXBFV-MJBXVCDLSA-N 1 1 281.400 0.044 10 0 CCAEMO O[C@H](CN[C@@H]1CO[C@@H](C2CC2)C1)C[NH+]1CCCCC1 ZINC000667797914 545156374 /nfs/dbraw/zinc/15/63/74/545156374.db2.gz AQWSXCAOFIXBPZ-RRFJBIMHSA-N 1 1 268.401 0.990 10 0 CCAEMO OC[C@H]1C[C@@H](O)C[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000184716145 527622578 /nfs/dbraw/zinc/62/25/78/527622578.db2.gz KZIUIJJMVPZSDW-CHWSQXEVSA-N 1 1 289.335 0.707 10 0 CCAEMO O=C(NCCCOC1CCCC1)[C@H]1COCC[NH2+]1 ZINC000153890900 527682412 /nfs/dbraw/zinc/68/24/12/527682412.db2.gz LGYNPUANOJFSSX-GFCCVEGCSA-N 1 1 256.346 0.440 10 0 CCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CC(C)(CO)C2)[C@@H](C)C1 ZINC000333631743 529101848 /nfs/dbraw/zinc/10/18/48/529101848.db2.gz QZOOMAINJSLWNH-RYUDHWBXSA-N 1 1 269.389 0.739 10 0 CCAEMO O=C1NCCC[C@@H]1[NH2+]Cc1nc2c(s1)CCC2 ZINC000678499673 545393217 /nfs/dbraw/zinc/39/32/17/545393217.db2.gz JLBCKQFTCZNQNQ-VIFPVBQESA-N 1 1 251.355 1.000 10 0 CCAEMO C[NH2+][C@H](C(=O)N[C@H](C)c1ccccn1)c1cnn(C)c1 ZINC000262371178 536386356 /nfs/dbraw/zinc/38/63/56/536386356.db2.gz LRWNYCLKDJTZFR-MFKMUULPSA-N 1 1 273.340 0.953 10 0 CCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000252442017 536860679 /nfs/dbraw/zinc/86/06/79/536860679.db2.gz GBGPSXMXHKZTPO-BFHYXJOUSA-N 1 1 299.415 0.964 10 0 CCAEMO COC(=O)CCc1nc([C@@]2([NH3+])CCCOC2)no1 ZINC000757184405 581697633 /nfs/dbraw/zinc/69/76/33/581697633.db2.gz WUTINLYPQKZUFB-LLVKDONJSA-N 1 1 255.274 0.140 10 0 CCAEMO C/C=C\[C@H](O)C(=O)N1CC[N@@H+](CCOCC)[C@H](C)C1 ZINC000900744640 613212818 /nfs/dbraw/zinc/21/28/18/613212818.db2.gz MLUUGDGXBZSFGO-RMKKPPKKSA-N 1 1 270.373 0.493 10 0 CCAEMO C/C=C\[C@H](O)C(=O)N1CC[N@H+](CCOCC)[C@H](C)C1 ZINC000900744640 613212819 /nfs/dbraw/zinc/21/28/19/613212819.db2.gz MLUUGDGXBZSFGO-RMKKPPKKSA-N 1 1 270.373 0.493 10 0 CCAEMO CC(=O)CC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000102674687 613674628 /nfs/dbraw/zinc/67/46/28/613674628.db2.gz FFKNKZGRYJRHRP-UHFFFAOYSA-N 1 1 267.373 0.206 10 0 CCAEMO CCCCOC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000300296655 614452739 /nfs/dbraw/zinc/45/27/39/614452739.db2.gz YQSHIKABFOLQCH-YNEHKIRRSA-N 1 1 273.373 0.905 10 0 CCAEMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](O)c1cnc[nH]1 ZINC000865190605 616196795 /nfs/dbraw/zinc/19/67/95/616196795.db2.gz BPNMQYQNMIQAAV-FRRDWIJNSA-N 1 1 278.356 0.528 10 0 CCAEMO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH]cn1 ZINC000865190605 616196796 /nfs/dbraw/zinc/19/67/96/616196796.db2.gz BPNMQYQNMIQAAV-FRRDWIJNSA-N 1 1 278.356 0.528 10 0 CCAEMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH]cn1 ZINC000865190605 616196797 /nfs/dbraw/zinc/19/67/97/616196797.db2.gz BPNMQYQNMIQAAV-FRRDWIJNSA-N 1 1 278.356 0.528 10 0 CCAEMO COC(=O)/C=C(/C)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930413219 616308575 /nfs/dbraw/zinc/30/85/75/616308575.db2.gz ZEOOZVJBTRPQFF-IXVIMSQCSA-N 1 1 283.368 0.968 10 0 CCAEMO COC(=O)/C=C(/C)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930413219 616308579 /nfs/dbraw/zinc/30/85/79/616308579.db2.gz ZEOOZVJBTRPQFF-IXVIMSQCSA-N 1 1 283.368 0.968 10 0 CCAEMO Cn1ncc(CCC(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC000908332312 616314864 /nfs/dbraw/zinc/31/48/64/616314864.db2.gz ZZIIPMQEFDJEJD-VXGBXAGGSA-N 1 1 277.372 0.158 10 0 CCAEMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccn4nnnc34)C[C@H]2C1 ZINC000897802206 616329091 /nfs/dbraw/zinc/32/90/91/616329091.db2.gz YVCBJOUJRVKQMD-GHMZBOCLSA-N 1 1 286.339 0.148 10 0 CCAEMO COCC[N@H+]1CCN(CN2CCCC2=O)C[C@H]1C ZINC000117321636 616370761 /nfs/dbraw/zinc/37/07/61/616370761.db2.gz PZVHUPBBSRHAPK-GFCCVEGCSA-N 1 1 255.362 0.219 10 0 CCAEMO COC1(OC)CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000911020512 616463533 /nfs/dbraw/zinc/46/35/33/616463533.db2.gz UMPHKICGKPRWSU-RYUDHWBXSA-N 1 1 284.356 0.117 10 0 CCAEMO COC(=O)[C@@H]1CCC[N@H+](CCS(=O)(=O)C(C)C)C1 ZINC000178220184 623622485 /nfs/dbraw/zinc/62/24/85/623622485.db2.gz 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10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccn2C)C[C@H]1C ZINC000174291329 351078203 /nfs/dbraw/zinc/07/82/03/351078203.db2.gz VOOJNBJFQHRCEV-VXGBXAGGSA-N 1 1 265.357 0.552 10 0 CCAEMO O[C@H](COC1CCOCC1)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000176428835 351173485 /nfs/dbraw/zinc/17/34/85/351173485.db2.gz CJFAXHKGRJJOMN-KBPBESRZSA-N 1 1 284.400 0.323 10 0 CCAEMO CCOCCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175655821 351138735 /nfs/dbraw/zinc/13/87/35/351138735.db2.gz DEFYHGVIYBKDOA-QWHCGFSZSA-N 1 1 285.388 0.385 10 0 CCAEMO C[C@@H]1CN(C(=O)NC2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000177232974 351198697 /nfs/dbraw/zinc/19/86/97/351198697.db2.gz OTDGPVWMFZTRMG-PWSUYJOCSA-N 1 1 253.346 0.511 10 0 CCAEMO CCN(CC)CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179189843 351260924 /nfs/dbraw/zinc/26/09/24/351260924.db2.gz BNLYHZCCKKLLDR-HNNXBMFYSA-N 1 1 297.443 0.899 10 0 CCAEMO CCN(CC)CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000179189843 351260925 /nfs/dbraw/zinc/26/09/25/351260925.db2.gz BNLYHZCCKKLLDR-HNNXBMFYSA-N 1 1 297.443 0.899 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC(=O)NC(C)C ZINC000177315709 351201042 /nfs/dbraw/zinc/20/10/42/351201042.db2.gz GRBYGUTXUBDTBN-GFCCVEGCSA-N 1 1 284.404 0.637 10 0 CCAEMO NC(=O)NC(=O)CCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000177769855 351211815 /nfs/dbraw/zinc/21/18/15/351211815.db2.gz ZFRSUNMIZFADNL-NSHDSACASA-N 1 1 268.361 0.132 10 0 CCAEMO NC(=O)NC(=O)CCC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000177769855 351211818 /nfs/dbraw/zinc/21/18/18/351211818.db2.gz ZFRSUNMIZFADNL-NSHDSACASA-N 1 1 268.361 0.132 10 0 CCAEMO NC(=O)NC(=O)CCC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000177769855 351211821 /nfs/dbraw/zinc/21/18/21/351211821.db2.gz ZFRSUNMIZFADNL-NSHDSACASA-N 1 1 268.361 0.132 10 0 CCAEMO CC(C)S(=O)(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178224228 351223702 /nfs/dbraw/zinc/22/37/02/351223702.db2.gz KMMNXKMBFVQDOU-GFCCVEGCSA-N 1 1 260.403 0.590 10 0 CCAEMO CC(C)S(=O)(=O)CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000178224228 351223706 /nfs/dbraw/zinc/22/37/06/351223706.db2.gz KMMNXKMBFVQDOU-GFCCVEGCSA-N 1 1 260.403 0.590 10 0 CCAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC000178324368 351228351 /nfs/dbraw/zinc/22/83/51/351228351.db2.gz DGURWXAVTRKRGS-LBPRGKRZSA-N 1 1 293.371 0.631 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ncnn2C)C1 ZINC000181257687 351309482 /nfs/dbraw/zinc/30/94/82/351309482.db2.gz XFEPEDDKGPYQDP-VIFPVBQESA-N 1 1 252.322 0.421 10 0 CCAEMO Cc1ccc(OC2CC[NH+](CC(=O)NC(N)=O)CC2)nc1 ZINC000181539979 351325361 /nfs/dbraw/zinc/32/53/61/351325361.db2.gz RQQIVRPQXQQFIW-UHFFFAOYSA-N 1 1 292.339 0.428 10 0 CCAEMO C[C@H](C[S@@](C)=O)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000182562977 351365302 /nfs/dbraw/zinc/36/53/02/351365302.db2.gz KTCCMVAJKSQOMB-PJYBLOJUSA-N 1 1 273.402 0.243 10 0 CCAEMO COC(=O)CCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000182785483 351370426 /nfs/dbraw/zinc/37/04/26/351370426.db2.gz YZZWYCOHXVJHDR-VXGBXAGGSA-N 1 1 286.372 0.243 10 0 CCAEMO CO[C@H](C)CCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000183701010 351387383 /nfs/dbraw/zinc/38/73/83/351387383.db2.gz KQJOXCMNTRXTMR-BFHYXJOUSA-N 1 1 284.400 0.981 10 0 CCAEMO CO[C@H](C)CCC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000183700964 351387430 /nfs/dbraw/zinc/38/74/30/351387430.db2.gz KQJOXCMNTRXTMR-MJBXVCDLSA-N 1 1 284.400 0.981 10 0 CCAEMO COc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)on1 ZINC000183761140 351390485 /nfs/dbraw/zinc/39/04/85/351390485.db2.gz PHQCSGPMFUTFHJ-SNVBAGLBSA-N 1 1 265.313 0.994 10 0 CCAEMO COc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)on1 ZINC000183761140 351390490 /nfs/dbraw/zinc/39/04/90/351390490.db2.gz PHQCSGPMFUTFHJ-SNVBAGLBSA-N 1 1 265.313 0.994 10 0 CCAEMO COCc1noc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000182301556 351357402 /nfs/dbraw/zinc/35/74/02/351357402.db2.gz BYZZGJCYMVDSSQ-GHMZBOCLSA-N 1 1 266.345 0.885 10 0 CCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cc(C)no2)CC1 ZINC000184986108 351428417 /nfs/dbraw/zinc/42/84/17/351428417.db2.gz JZXJBIDHNVJGSY-GFCCVEGCSA-N 1 1 296.371 0.581 10 0 CCAEMO C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)N1CCOCC1 ZINC000185137977 351433396 /nfs/dbraw/zinc/43/33/96/351433396.db2.gz KGNGXYMPGUKJKZ-ZDUSSCGKSA-N 1 1 298.431 0.443 10 0 CCAEMO OC[C@H]1C[C@@H](O)C[N@H+]1CCc1ccc(F)c(F)c1 ZINC000185160063 351435704 /nfs/dbraw/zinc/43/57/04/351435704.db2.gz PRMMJHQDEKDFEW-GHMZBOCLSA-N 1 1 257.280 0.935 10 0 CCAEMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184744612 351422439 /nfs/dbraw/zinc/42/24/39/351422439.db2.gz YACWUWAFRUKJMR-REWJHTLYSA-N 1 1 284.400 0.594 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]c(=S)[nH]2)C[C@H]1C ZINC000187140609 351530074 /nfs/dbraw/zinc/53/00/74/351530074.db2.gz RYUJBMSMILUYAB-RKDXNWHRSA-N 1 1 284.385 0.226 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH]c(=S)[nH]2)C[C@H]1C ZINC000187140609 351530077 /nfs/dbraw/zinc/53/00/77/351530077.db2.gz RYUJBMSMILUYAB-RKDXNWHRSA-N 1 1 284.385 0.226 10 0 CCAEMO Cc1cc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)n[nH]1 ZINC000187256997 351535656 /nfs/dbraw/zinc/53/56/56/351535656.db2.gz YDASWKKBUDLOOB-ZDUSSCGKSA-N 1 1 282.388 0.626 10 0 CCAEMO COCCCN(C)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000190718443 351732543 /nfs/dbraw/zinc/73/25/43/351732543.db2.gz BRNVHUQZRPHEDN-AWEZNQCLSA-N 1 1 299.415 0.729 10 0 CCAEMO FC(F)(F)Cn1nnnc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000190869364 351737887 /nfs/dbraw/zinc/73/78/87/351737887.db2.gz IVHDUNLXNRYRTK-VIFPVBQESA-N 1 1 290.293 0.515 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cnc(Cl)cn2)C[C@H]1C ZINC000192802900 351798854 /nfs/dbraw/zinc/79/88/54/351798854.db2.gz WIAXEGSCZGWDQZ-NXEZZACHSA-N 1 1 298.774 0.657 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cnc(Cl)cn2)C[C@H]1C ZINC000192802900 351798857 /nfs/dbraw/zinc/79/88/57/351798857.db2.gz WIAXEGSCZGWDQZ-NXEZZACHSA-N 1 1 298.774 0.657 10 0 CCAEMO Cc1nc([C@@H]2CN(CC[NH2+]C(C)C)CCO2)n[nH]1 ZINC000191516172 351762103 /nfs/dbraw/zinc/76/21/03/351762103.db2.gz ZCJCWERBLXZELB-NSHDSACASA-N 1 1 253.350 0.484 10 0 CCAEMO C[C@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@@H]1N1CCOCC1 ZINC000193376915 351825818 /nfs/dbraw/zinc/82/58/18/351825818.db2.gz JNXIQDQCQILFFY-JSGCOSHPSA-N 1 1 276.384 0.816 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)c2c[nH]c(=S)[nH]2)C[C@@H]1C ZINC000193089793 351810561 /nfs/dbraw/zinc/81/05/61/351810561.db2.gz XSVPAWXBCVVPKY-VIFPVBQESA-N 1 1 284.385 0.491 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)c2c[nH]c(=S)[nH]2)C[C@@H]1C ZINC000193089793 351810563 /nfs/dbraw/zinc/81/05/63/351810563.db2.gz XSVPAWXBCVVPKY-VIFPVBQESA-N 1 1 284.385 0.491 10 0 CCAEMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCC(=O)N2)C[N@H+]1C1CC1 ZINC000194290663 351862798 /nfs/dbraw/zinc/86/27/98/351862798.db2.gz TWIIKCPSLJDRDM-WZRBSPASSA-N 1 1 279.384 0.787 10 0 CCAEMO CC[C@@H](C)NC(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000195317554 351908622 /nfs/dbraw/zinc/90/86/22/351908622.db2.gz BUVNZYZYMKTNSF-LLVKDONJSA-N 1 1 265.361 0.830 10 0 CCAEMO O=C1NC[C@H](C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)O1 ZINC000220385665 351972955 /nfs/dbraw/zinc/97/29/55/351972955.db2.gz BGDVYXKTFFZNTA-WZRBSPASSA-N 1 1 254.330 0.722 10 0 CCAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000227908255 352062896 /nfs/dbraw/zinc/06/28/96/352062896.db2.gz AUDRLRDIQYRNOG-OLZOCXBDSA-N 1 1 272.389 0.622 10 0 CCAEMO CC(C)[C@@](C)(O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000229589653 352092949 /nfs/dbraw/zinc/09/29/49/352092949.db2.gz JKJGFUXWRMYYGK-KGLIPLIRSA-N 1 1 256.390 0.800 10 0 CCAEMO Cc1cnc([C@H](C)[NH2+]C[C@H](O)CN2CCOCC2)o1 ZINC000230643346 352116926 /nfs/dbraw/zinc/11/69/26/352116926.db2.gz BKCVABZJOCSALE-RYUDHWBXSA-N 1 1 269.345 0.327 10 0 CCAEMO CCCO[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000236902025 352226131 /nfs/dbraw/zinc/22/61/31/352226131.db2.gz UCYRAUWKNJVOGI-STQMWFEESA-N 1 1 270.373 0.783 10 0 CCAEMO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1COCC[NH2+]1 ZINC000237721139 352280667 /nfs/dbraw/zinc/28/06/67/352280667.db2.gz SGXDMIJTGIVOQB-NSHDSACASA-N 1 1 278.287 0.307 10 0 CCAEMO COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000246182819 352352867 /nfs/dbraw/zinc/35/28/67/352352867.db2.gz KPQOAEFMTOUDCC-QWHCGFSZSA-N 1 1 287.404 0.415 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000245423559 352321429 /nfs/dbraw/zinc/32/14/29/352321429.db2.gz BMCHLDPMFRQEPA-STQMWFEESA-N 1 1 296.415 0.720 10 0 CCAEMO CNC(=O)NCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245574304 352329928 /nfs/dbraw/zinc/32/99/28/352329928.db2.gz DLMWTFAGPOCHDB-OCCSQVGLSA-N 1 1 290.367 0.477 10 0 CCAEMO CC[C@H]1CN(Cc2c[nH]nc2C)CC[N@H+]1C[C@H](C)O ZINC000245755706 352336481 /nfs/dbraw/zinc/33/64/81/352336481.db2.gz OOKIWSGRKCJQFR-FZMZJTMJSA-N 1 1 266.389 0.995 10 0 CCAEMO CC1(C)NC(=O)N(CCN2CC[N@H+]3CCCC[C@H]3C2)C1=O ZINC000246228299 352355951 /nfs/dbraw/zinc/35/59/51/352355951.db2.gz RRKRWVNRZIDYLQ-LBPRGKRZSA-N 1 1 294.399 0.487 10 0 CCAEMO C[C@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1N1CCOCC1 ZINC000246070946 352347452 /nfs/dbraw/zinc/34/74/52/352347452.db2.gz ZJEINLYCXAKRKD-GXTWGEPZSA-N 1 1 264.373 0.573 10 0 CCAEMO O=C([C@@H]1CNC(=O)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246316078 352361018 /nfs/dbraw/zinc/36/10/18/352361018.db2.gz KCUJNVKSBOOJHQ-MBNYWOFBSA-N 1 1 291.395 0.598 10 0 CCAEMO CCC(=O)N1CC[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000246454795 352367951 /nfs/dbraw/zinc/36/79/51/352367951.db2.gz OSHHTZAUNRCKNF-RDBSUJKOSA-N 1 1 293.411 0.940 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCCN1CCOCC1 ZINC000246786188 352382925 /nfs/dbraw/zinc/38/29/25/352382925.db2.gz ACMXBNYVSNPNME-CABCVRRESA-N 1 1 267.417 0.877 10 0 CCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000246989335 352392047 /nfs/dbraw/zinc/39/20/47/352392047.db2.gz GNCDDGSGOHEDMF-CMPLNLGQSA-N 1 1 250.346 0.879 10 0 CCAEMO CC[C@H](C(=O)OC)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000247013963 352393300 /nfs/dbraw/zinc/39/33/00/352393300.db2.gz CGPYSBAANGPZJK-QWHCGFSZSA-N 1 1 272.389 0.981 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN1CCOCC1 ZINC000247066933 352396458 /nfs/dbraw/zinc/39/64/58/352396458.db2.gz HLGXANJUUOFAFY-KBPBESRZSA-N 1 1 296.415 0.197 10 0 CCAEMO CCOCC[N@H+]1CCN(CCCNC(C)=O)C[C@H]1C ZINC000247101725 352399096 /nfs/dbraw/zinc/39/90/96/352399096.db2.gz IFRIYTLUXSQMOI-CYBMUJFWSA-N 1 1 271.405 0.555 10 0 CCAEMO CCOCCN1CC[N@H+](CCCNC(C)=O)C[C@H]1C ZINC000247101725 352399100 /nfs/dbraw/zinc/39/91/00/352399100.db2.gz IFRIYTLUXSQMOI-CYBMUJFWSA-N 1 1 271.405 0.555 10 0 CCAEMO CCOCCN1CC[N@@H+](CCCNC(C)=O)C[C@H]1C ZINC000247101725 352399103 /nfs/dbraw/zinc/39/91/03/352399103.db2.gz IFRIYTLUXSQMOI-CYBMUJFWSA-N 1 1 271.405 0.555 10 0 CCAEMO NC(=O)[C@@H](c1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246265923 352358075 /nfs/dbraw/zinc/35/80/75/352358075.db2.gz GTFYOYQSAURSPY-UONOGXRCSA-N 1 1 259.353 0.993 10 0 CCAEMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)no1 ZINC000247362703 352410890 /nfs/dbraw/zinc/41/08/90/352410890.db2.gz OQFJRFIEOCYSNJ-KOLCDFICSA-N 1 1 294.355 0.766 10 0 CCAEMO C[C@H](CNC(=O)N[C@H](C)[C@H]1CCCO1)C[NH+]1CCOCC1 ZINC000247406998 352413202 /nfs/dbraw/zinc/41/32/02/352413202.db2.gz SDECCLXWLCIBFD-MGPQQGTHSA-N 1 1 299.415 0.821 10 0 CCAEMO CC(C)NC(=O)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247483013 352417268 /nfs/dbraw/zinc/41/72/68/352417268.db2.gz WHSVTYURUWCVLP-QWHCGFSZSA-N 1 1 298.431 0.929 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCS(C)(=O)=O ZINC000247522133 352419522 /nfs/dbraw/zinc/41/95/22/352419522.db2.gz WWBPVQIHBYLCMZ-RYUDHWBXSA-N 1 1 288.413 0.506 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCOC2)C1 ZINC000247806882 352426307 /nfs/dbraw/zinc/42/63/07/352426307.db2.gz SXLPWVGGIVWSHS-NEPJUHHUSA-N 1 1 255.362 0.949 10 0 CCAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CNC(=O)C3)CC[C@H]21 ZINC000247938450 352427352 /nfs/dbraw/zinc/42/73/52/352427352.db2.gz CSJQICANBGGTNC-IJLUTSLNSA-N 1 1 265.357 0.065 10 0 CCAEMO C[C@H](c1ccccn1)S(=O)(=O)N1CC[NH2+]C[C@H]1C ZINC000248028889 352430317 /nfs/dbraw/zinc/43/03/17/352430317.db2.gz NJUMVDRSBFWDHK-GHMZBOCLSA-N 1 1 269.370 0.766 10 0 CCAEMO Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](CO)C3)C2=O)cn1 ZINC000248370470 352436386 /nfs/dbraw/zinc/43/63/86/352436386.db2.gz XNZMUVTYYVSWTI-DGCLKSJQSA-N 1 1 278.356 0.230 10 0 CCAEMO Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](CO)C3)C2=O)cn1 ZINC000248370470 352436388 /nfs/dbraw/zinc/43/63/88/352436388.db2.gz XNZMUVTYYVSWTI-DGCLKSJQSA-N 1 1 278.356 0.230 10 0 CCAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(C)C1=O ZINC000247140638 352401220 /nfs/dbraw/zinc/40/12/20/352401220.db2.gz SWCCYMIIMUBNBU-STQMWFEESA-N 1 1 262.357 0.887 10 0 CCAEMO CCCCCNC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247230052 352404998 /nfs/dbraw/zinc/40/49/98/352404998.db2.gz RGQJWYRVBMPNLO-KBPBESRZSA-N 1 1 285.432 0.680 10 0 CCAEMO CCNC(=O)CN1CC[N@H+](CCOCC)[C@@H](C)C1 ZINC000247254159 352407367 /nfs/dbraw/zinc/40/73/67/352407367.db2.gz UFRXGPUGWATAFS-LBPRGKRZSA-N 1 1 257.378 0.165 10 0 CCAEMO CCNC(=O)CN1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000247254159 352407370 /nfs/dbraw/zinc/40/73/70/352407370.db2.gz UFRXGPUGWATAFS-LBPRGKRZSA-N 1 1 257.378 0.165 10 0 CCAEMO COCc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)no1 ZINC000248525505 352444645 /nfs/dbraw/zinc/44/46/45/352444645.db2.gz CQDQLEMSSOWAKH-QWRGUYRKSA-N 1 1 266.345 0.885 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccon2)C1 ZINC000248593086 352447133 /nfs/dbraw/zinc/44/71/33/352447133.db2.gz LPCUOFQTGWWKAZ-NXEZZACHSA-N 1 1 280.328 0.458 10 0 CCAEMO CCn1ncnc1CN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000248654599 352452307 /nfs/dbraw/zinc/45/23/07/352452307.db2.gz AOKMAXAAEUIRET-STQMWFEESA-N 1 1 279.388 0.451 10 0 CCAEMO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000248950223 352468915 /nfs/dbraw/zinc/46/89/15/352468915.db2.gz AZVGDCPAJNFJPZ-AGIUHOORSA-N 1 1 283.416 0.681 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccnn1C ZINC000249139106 352480291 /nfs/dbraw/zinc/48/02/91/352480291.db2.gz FHMUXSJTIYTCOF-MNOVXSKESA-N 1 1 291.355 0.054 10 0 CCAEMO C[C@@H]1CN(CCN2CC[N@H+]3CCCC[C@H]3C2)CCO1 ZINC000249303273 352485930 /nfs/dbraw/zinc/48/59/30/352485930.db2.gz SPPFVBGOPXZSPD-CABCVRRESA-N 1 1 267.417 0.877 10 0 CCAEMO C[C@H]1C[N@H+](C2CCN(C(=O)[C@H]3COCCO3)CC2)CCO1 ZINC000249771084 352501223 /nfs/dbraw/zinc/50/12/23/352501223.db2.gz SPCFOUSMDXZLQX-GXTWGEPZSA-N 1 1 298.383 0.114 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ncccc1N ZINC000252834665 352525490 /nfs/dbraw/zinc/52/54/90/352525490.db2.gz RUMPYZKAHZOWQE-QWRGUYRKSA-N 1 1 260.341 0.973 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(C)C(=O)[C@H]2C)C1 ZINC000253146607 352529079 /nfs/dbraw/zinc/52/90/79/352529079.db2.gz YMYVGLQDPQSUDR-UPJWGTAASA-N 1 1 296.415 0.587 10 0 CCAEMO Cc1cncc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000266287417 352695121 /nfs/dbraw/zinc/69/51/21/352695121.db2.gz IPVDLYUFYRCPLG-CHWSQXEVSA-N 1 1 277.368 0.917 10 0 CCAEMO Cc1cncc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000266287417 352695123 /nfs/dbraw/zinc/69/51/23/352695123.db2.gz IPVDLYUFYRCPLG-CHWSQXEVSA-N 1 1 277.368 0.917 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(c2ncnc(N)c2Cl)C[C@H]1C ZINC000273102439 353109870 /nfs/dbraw/zinc/10/98/70/353109870.db2.gz MJGZWTQLTAYRDU-BDAKNGLRSA-N 1 1 285.779 0.604 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(c2ncnc(N)c2Cl)C[C@H]1C ZINC000273102439 353109871 /nfs/dbraw/zinc/10/98/71/353109871.db2.gz MJGZWTQLTAYRDU-BDAKNGLRSA-N 1 1 285.779 0.604 10 0 CCAEMO COc1cc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ncn1 ZINC000274637390 353147896 /nfs/dbraw/zinc/14/78/96/353147896.db2.gz CFROWXRCTGAKHJ-NWDGAFQWSA-N 1 1 278.356 0.642 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000158851721 188397458 /nfs/dbraw/zinc/39/74/58/188397458.db2.gz MEVQRLRXZPTMBJ-BDAKNGLRSA-N 1 1 254.359 0.997 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000158776045 188394063 /nfs/dbraw/zinc/39/40/63/188394063.db2.gz QFALAOJCRZPQGT-PWSUYJOCSA-N 1 1 293.371 0.204 10 0 CCAEMO C[C@@H]1C[C@H](NC(=S)NN)C[N@H+]1Cc1ccccc1 ZINC000306873809 354177545 /nfs/dbraw/zinc/17/75/45/354177545.db2.gz YJIZKLBMNGIWGG-PWSUYJOCSA-N 1 1 264.398 0.987 10 0 CCAEMO c1ncn(C[C@@H]2C[N@@H+](C[C@H]3CCOC3)CCO2)n1 ZINC000328674091 202006638 /nfs/dbraw/zinc/00/66/38/202006638.db2.gz PSTWEOPYOXJWFI-NEPJUHHUSA-N 1 1 252.318 0.015 10 0 CCAEMO C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000305809052 354163437 /nfs/dbraw/zinc/16/34/37/354163437.db2.gz IFFBWZLXQFPTDQ-OCCSQVGLSA-N 1 1 282.388 0.106 10 0 CCAEMO CCn1cnnc1[C@@H]1C[N@@H+]([C@H]2CCCC[C@H]2O)CCO1 ZINC000328631528 354241977 /nfs/dbraw/zinc/24/19/77/354241977.db2.gz KNQGXCUGMKKWSD-XQQFMLRXSA-N 1 1 280.372 0.975 10 0 CCAEMO CCn1cnnc1[C@@H]1C[N@H+]([C@H]2CCCC[C@H]2O)CCO1 ZINC000328631528 354241982 /nfs/dbraw/zinc/24/19/82/354241982.db2.gz KNQGXCUGMKKWSD-XQQFMLRXSA-N 1 1 280.372 0.975 10 0 CCAEMO C[N@@H+](CC1CC1)C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC000328643489 354244101 /nfs/dbraw/zinc/24/41/01/354244101.db2.gz RHTJRENCOBQUBI-KGLIPLIRSA-N 1 1 282.384 0.592 10 0 CCAEMO COC(=O)c1oc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1C ZINC000316023999 354225626 /nfs/dbraw/zinc/22/56/26/354225626.db2.gz BVPXNCUQVGLZIQ-KOLCDFICSA-N 1 1 269.297 0.160 10 0 CCAEMO COC(=O)c1oc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1C ZINC000316023999 354225629 /nfs/dbraw/zinc/22/56/29/354225629.db2.gz BVPXNCUQVGLZIQ-KOLCDFICSA-N 1 1 269.297 0.160 10 0 CCAEMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)C1COC1 ZINC000330252282 354312761 /nfs/dbraw/zinc/31/27/61/354312761.db2.gz IGYZLSURQXKOGP-LLVKDONJSA-N 1 1 276.402 0.425 10 0 CCAEMO NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)C1 ZINC000332380382 354658450 /nfs/dbraw/zinc/65/84/50/354658450.db2.gz XPVXYGLGWSUPOR-RYUDHWBXSA-N 1 1 283.372 0.607 10 0 CCAEMO CCc1nsc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000333929532 354816858 /nfs/dbraw/zinc/81/68/58/354816858.db2.gz YKVHXKMYXWSQFN-SNVBAGLBSA-N 1 1 295.412 0.501 10 0 CCAEMO C[C@H](O)C1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335988388 355066796 /nfs/dbraw/zinc/06/67/96/355066796.db2.gz KTBVBEYJNZLMOB-GXSJLCMTSA-N 1 1 276.327 0.851 10 0 CCAEMO CC(C)(O)CC[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000372136874 535287202 /nfs/dbraw/zinc/28/72/02/535287202.db2.gz QYNJYMMYAWWORC-NSHDSACASA-N 1 1 276.402 0.304 10 0 CCAEMO CN1CC[C@H]([N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)C1=O ZINC000188112223 283119340 /nfs/dbraw/zinc/11/93/40/283119340.db2.gz GEJOQKCWOUMECM-AGIUHOORSA-N 1 1 280.393 0.987 10 0 CCAEMO CO[C@H](C)c1nsc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328810944 202067692 /nfs/dbraw/zinc/06/76/92/202067692.db2.gz OKYPXMMPBJXJPE-OPRDCNLKSA-N 1 1 284.385 0.765 10 0 CCAEMO Cc1noc([C@@H]2C[N@@H+](CC3(O)CCC3)CCN2C)n1 ZINC000328971848 202134319 /nfs/dbraw/zinc/13/43/19/202134319.db2.gz VFLTZRCYCXHOFT-NSHDSACASA-N 1 1 266.345 0.582 10 0 CCAEMO Cc1noc([C@@H]2C[N@H+](CC3(O)CCC3)CCN2C)n1 ZINC000328971848 202134323 /nfs/dbraw/zinc/13/43/23/202134323.db2.gz VFLTZRCYCXHOFT-NSHDSACASA-N 1 1 266.345 0.582 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)N2CC[C@H](c3cnn(C)c3)C2)[N@@H+](C)C1 ZINC000328991512 202141917 /nfs/dbraw/zinc/14/19/17/202141917.db2.gz DFLNFCXVTCYLCJ-UBHSHLNASA-N 1 1 292.383 0.455 10 0 CCAEMO Cc1[nH+]ccn1-c1cncc(N[C@H]2CC[S@](=O)C2)n1 ZINC000329140884 202203415 /nfs/dbraw/zinc/20/34/15/202203415.db2.gz JVAGXOYCAHUWTA-OVWNDWIMSA-N 1 1 277.353 0.904 10 0 CCAEMO c1ccc(-n2nnnc2CCN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000329161994 202212513 /nfs/dbraw/zinc/21/25/13/202212513.db2.gz ZIBLMBJRUXROAH-OAHLLOKOSA-N 1 1 298.394 0.985 10 0 CCAEMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@@H](CO)C1 ZINC000370073374 357350878 /nfs/dbraw/zinc/35/08/78/357350878.db2.gz ZZRIXFWHNSDZNC-WDEREUQCSA-N 1 1 271.361 0.315 10 0 CCAEMO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1ncc[nH]1 ZINC000381048111 357708247 /nfs/dbraw/zinc/70/82/47/357708247.db2.gz PHHHVSYZYCSDHF-SNVBAGLBSA-N 1 1 274.390 0.664 10 0 CCAEMO CC[N@@H+]1CCO[C@H](CNCc2nc(C#N)cs2)C1 ZINC000386139702 357729486 /nfs/dbraw/zinc/72/94/86/357729486.db2.gz GSKYBSFLDQJHQM-LLVKDONJSA-N 1 1 266.370 0.825 10 0 CCAEMO CC[N@H+]1CCO[C@H](CNCc2nc(C#N)cs2)C1 ZINC000386139702 357729489 /nfs/dbraw/zinc/72/94/89/357729489.db2.gz GSKYBSFLDQJHQM-LLVKDONJSA-N 1 1 266.370 0.825 10 0 CCAEMO CCN1CCO[C@H](C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000386139702 357729491 /nfs/dbraw/zinc/72/94/91/357729491.db2.gz GSKYBSFLDQJHQM-LLVKDONJSA-N 1 1 266.370 0.825 10 0 CCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000407989998 357854029 /nfs/dbraw/zinc/85/40/29/357854029.db2.gz MMLXKJYLIARNOO-GHMZBOCLSA-N 1 1 253.346 0.256 10 0 CCAEMO CNS(=O)(=O)CCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000407950609 357834580 /nfs/dbraw/zinc/83/45/80/357834580.db2.gz FUKQBFUKDZXEDS-QWHCGFSZSA-N 1 1 289.445 0.484 10 0 CCAEMO CNS(=O)(=O)CCC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000407950609 357834582 /nfs/dbraw/zinc/83/45/82/357834582.db2.gz FUKQBFUKDZXEDS-QWHCGFSZSA-N 1 1 289.445 0.484 10 0 CCAEMO CNS(=O)(=O)CCC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000407950609 357834586 /nfs/dbraw/zinc/83/45/86/357834586.db2.gz FUKQBFUKDZXEDS-QWHCGFSZSA-N 1 1 289.445 0.484 10 0 CCAEMO 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CC(=O)N1CSC[C@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000336218040 278065579 /nfs/dbraw/zinc/06/55/79/278065579.db2.gz FPJVBSABSQEBLF-CMPLNLGQSA-N 1 1 289.376 0.068 10 0 CCAEMO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCS1 ZINC000192185297 278367135 /nfs/dbraw/zinc/36/71/35/278367135.db2.gz MPDMRLJKKWFTQV-RYUDHWBXSA-N 1 1 299.440 0.538 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)CC2CCOCC2)C[C@H]1C ZINC000174304619 278396893 /nfs/dbraw/zinc/39/68/93/278396893.db2.gz RPVIMNXRWFWCHS-CHWSQXEVSA-N 1 1 284.400 0.717 10 0 CCAEMO CCN(C)C(=O)[C@H](C)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000187889505 279025662 /nfs/dbraw/zinc/02/56/62/279025662.db2.gz IHJJRYUMBAZQJJ-LBPRGKRZSA-N 1 1 296.415 0.733 10 0 CCAEMO Cc1noc([C@@H]2COCCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000329192451 279256400 /nfs/dbraw/zinc/25/64/00/279256400.db2.gz QWDDAEUBGLFFIT-MNOVXSKESA-N 1 1 280.328 0.372 10 0 CCAEMO Cc1noc([C@@H]2COCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000329192451 279256401 /nfs/dbraw/zinc/25/64/01/279256401.db2.gz 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NC(=O)C[NH+]1CCC(C(=O)NCC[C@H]2CCCOC2)CC1 ZINC000534585835 328315212 /nfs/dbraw/zinc/31/52/12/328315212.db2.gz FFGIREJNLKDNDQ-GFCCVEGCSA-N 1 1 297.399 0.117 10 0 CCAEMO Cc1nn(C)c(C[NH2+][C@@H]2C[C@H]2CO)c1Br ZINC000309185784 328838304 /nfs/dbraw/zinc/83/83/04/328838304.db2.gz OTKFMWMXPVVMSQ-JGVFFNPUSA-N 1 1 274.162 0.961 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1C ZINC000172218264 335097984 /nfs/dbraw/zinc/09/79/84/335097984.db2.gz CAQKTFWLIWYCLD-QWHCGFSZSA-N 1 1 295.387 0.408 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)n2cncn2)C[C@@H]1C ZINC000172218264 335097986 /nfs/dbraw/zinc/09/79/86/335097986.db2.gz CAQKTFWLIWYCLD-QWHCGFSZSA-N 1 1 295.387 0.408 10 0 CCAEMO COC(C)(C)CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173510902 335136031 /nfs/dbraw/zinc/13/60/31/335136031.db2.gz FLVXHUBGMMWMDM-LLVKDONJSA-N 1 1 255.362 0.901 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cccn(C)c2=O)C1 ZINC000173525168 335136044 /nfs/dbraw/zinc/13/60/44/335136044.db2.gz ZUZQWROSBFDOAV-NSHDSACASA-N 1 1 278.356 0.991 10 0 CCAEMO COCCCCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174346145 335153100 /nfs/dbraw/zinc/15/31/00/335153100.db2.gz PUGZMCUJQMGLLO-CHWSQXEVSA-N 1 1 272.389 0.717 10 0 CCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccncc2)CC1 ZINC000181527782 335767511 /nfs/dbraw/zinc/76/75/11/335767511.db2.gz AJAKUAFHWNEVFQ-AWEZNQCLSA-N 1 1 292.383 0.680 10 0 CCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)COC)CC1 ZINC000181796574 335785985 /nfs/dbraw/zinc/78/59/85/335785985.db2.gz SDWOQVRAOYWHDO-OLZOCXBDSA-N 1 1 287.404 0.367 10 0 CCAEMO CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CC(=O)N(C)C1=O ZINC000049554857 519775893 /nfs/dbraw/zinc/77/58/93/519775893.db2.gz OMTSMCAELMNYMY-QWRGUYRKSA-N 1 1 255.362 0.310 10 0 CCAEMO CCC[N@@H+](CC[C@H](NC)C(=O)OCC)CCN(C)C ZINC000062527887 521670431 /nfs/dbraw/zinc/67/04/31/521670431.db2.gz LRLPGXHJVZQKPJ-ZDUSSCGKSA-N 1 1 273.421 0.801 10 0 CCAEMO CCCN(CC[C@H](NC)C(=O)OCC)CC[NH+](C)C ZINC000062527887 521670437 /nfs/dbraw/zinc/67/04/37/521670437.db2.gz LRLPGXHJVZQKPJ-ZDUSSCGKSA-N 1 1 273.421 0.801 10 0 CCAEMO CN[C@@H](CC[N@H+]1CC[C@H](c2ccccc2)C1)C(N)=O ZINC000062530895 522346780 /nfs/dbraw/zinc/34/67/80/522346780.db2.gz DPZUNAWRLCXWHX-KBPBESRZSA-N 1 1 261.369 0.939 10 0 CCAEMO CC(C)[NH2+][C@H](CCN(C)[C@@H]1CCC[N@@H+](C)C1)C(=O)[O-] ZINC000062531766 519737994 /nfs/dbraw/zinc/73/79/94/519737994.db2.gz TWWFRCZJMZCTFC-CHWSQXEVSA-N 1 1 271.405 0.854 10 0 CCAEMO CCCn1ccnc(NCC[N@H+](C)CCOC)c1=O ZINC000061766922 521660043 /nfs/dbraw/zinc/66/00/43/521660043.db2.gz XTNFSABEZRIBRD-UHFFFAOYSA-N 1 1 268.361 0.643 10 0 CCAEMO CCCn1ccnc(NCC[N@@H+](C)CCOC)c1=O ZINC000061766922 521660046 /nfs/dbraw/zinc/66/00/46/521660046.db2.gz XTNFSABEZRIBRD-UHFFFAOYSA-N 1 1 268.361 0.643 10 0 CCAEMO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)n1 ZINC000155553899 522326563 /nfs/dbraw/zinc/32/65/63/522326563.db2.gz PITFLRNRZSTIFI-MNOVXSKESA-N 1 1 292.387 0.521 10 0 CCAEMO CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)n1 ZINC000155553899 522326575 /nfs/dbraw/zinc/32/65/75/522326575.db2.gz PITFLRNRZSTIFI-MNOVXSKESA-N 1 1 292.387 0.521 10 0 CCAEMO C[NH2+][C@@H](CC[N@@H+](CCCOC)CCOC)C(=O)[O-] ZINC000062462703 522342522 /nfs/dbraw/zinc/34/25/22/522342522.db2.gz VKCXPGVWADTQMH-NSHDSACASA-N 1 1 262.350 0.034 10 0 CCAEMO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C)O2)CC[N@H+]1C[C@@H](C)O ZINC000157611110 523409938 /nfs/dbraw/zinc/40/99/38/523409938.db2.gz WQBMQVGKKVWOJW-RQJABVFESA-N 1 1 284.400 0.858 10 0 CCAEMO COC(=O)[C@@H]([NH3+])CCSc1nc(C)cc(=O)[nH]1 ZINC000062599865 523601546 /nfs/dbraw/zinc/60/15/46/523601546.db2.gz XSERLECTLURCOB-ZETCQYMHSA-N 1 1 257.315 0.061 10 0 CCAEMO Cc1cc(C)c(C(N)=S)c(N2CC[C@@H](O)C2)[nH+]1 ZINC000061712600 524247829 /nfs/dbraw/zinc/24/78/29/524247829.db2.gz SWYJUFWBDCGTBW-SECBINFHSA-N 1 1 251.355 0.904 10 0 CCAEMO C[C@@H]1CCC[C@@H]([N@H+](C)[C@@H]2CS(=O)(=O)C[C@@H]2N)C1 ZINC000054493233 524301743 /nfs/dbraw/zinc/30/17/43/524301743.db2.gz DIOBHOWTAIUHAR-WISYIIOYSA-N 1 1 260.403 0.621 10 0 CCAEMO C[C@@H]1CCC[C@@H]([N@@H+](C)[C@@H]2CS(=O)(=O)C[C@@H]2N)C1 ZINC000054493233 524301748 /nfs/dbraw/zinc/30/17/48/524301748.db2.gz DIOBHOWTAIUHAR-WISYIIOYSA-N 1 1 260.403 0.621 10 0 CCAEMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)C1 ZINC000332898275 536477009 /nfs/dbraw/zinc/47/70/09/536477009.db2.gz LBISYRCRCHZJER-FVCCEPFGSA-N 1 1 268.357 0.106 10 0 CCAEMO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)Nc1cnoc1 ZINC000061685745 527177002 /nfs/dbraw/zinc/17/70/02/527177002.db2.gz BBZPGZJDHAHKRB-VIFPVBQESA-N 1 1 259.331 0.949 10 0 CCAEMO Cn1cc(CC2=C[C@H]([NH3+])CNC2)c(Br)n1 ZINC000675077764 545321349 /nfs/dbraw/zinc/32/13/49/545321349.db2.gz ICHGPWMLAJSIFO-VIFPVBQESA-N 1 1 271.162 0.582 10 0 CCAEMO C[NH2+][C@@H](C(=O)NCc1ccc(C)nc1)c1cnn(C)c1 ZINC000262027338 536335773 /nfs/dbraw/zinc/33/57/73/536335773.db2.gz BCANZJFMBSHKFY-CYBMUJFWSA-N 1 1 273.340 0.700 10 0 CCAEMO Cc1ccncc1C[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794008526 581328101 /nfs/dbraw/zinc/32/81/01/581328101.db2.gz 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355890220 /nfs/dbraw/zinc/89/02/20/355890220.db2.gz IGTCXCDHHIEOAZ-STQMWFEESA-N 1 1 281.356 0.703 10 0 CCAEMO CN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ncc[nH]1 ZINC000383627487 357716950 /nfs/dbraw/zinc/71/69/50/357716950.db2.gz WLUQJVLKWXQZTG-SECBINFHSA-N 1 1 258.347 0.172 10 0 CCAEMO COC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000395944985 357762624 /nfs/dbraw/zinc/76/26/24/357762624.db2.gz WHVGUBXNBNTLMV-WDEREUQCSA-N 1 1 254.330 0.398 10 0 CCAEMO O=S(=O)(CCC1CC1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404212882 357819119 /nfs/dbraw/zinc/81/91/19/357819119.db2.gz WSLRTFWCJKDELN-NEPJUHHUSA-N 1 1 274.386 0.179 10 0 CCAEMO NC(=O)c1cccc(CNC2CC[NH+](CCO)CC2)c1 ZINC000399143931 357782020 /nfs/dbraw/zinc/78/20/20/357782020.db2.gz VWVIQBQWGUYKNV-UHFFFAOYSA-N 1 1 277.368 0.332 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(Cc2cnns2)C[C@H]1C ZINC000407947324 357829175 /nfs/dbraw/zinc/82/91/75/357829175.db2.gz BRPRMRSHCCVCRD-NXEZZACHSA-N 1 1 256.375 0.425 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(Cc2cnns2)C[C@H]1C ZINC000407947324 357829178 /nfs/dbraw/zinc/82/91/78/357829178.db2.gz BRPRMRSHCCVCRD-NXEZZACHSA-N 1 1 256.375 0.425 10 0 CCAEMO Cc1noc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000407948037 357830211 /nfs/dbraw/zinc/83/02/11/357830211.db2.gz FGRRXOAOJHVFTJ-VHSXEESVSA-N 1 1 254.334 0.265 10 0 CCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3c[nH]cn3)CC2)CCO1 ZINC000407979227 357848868 /nfs/dbraw/zinc/84/88/68/357848868.db2.gz SSYWPIMZVUMTTG-LLVKDONJSA-N 1 1 278.356 0.735 10 0 CCAEMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnc[nH]3)CC2)CCO1 ZINC000407979227 357848871 /nfs/dbraw/zinc/84/88/71/357848871.db2.gz SSYWPIMZVUMTTG-LLVKDONJSA-N 1 1 278.356 0.735 10 0 CCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cnc[nH]3)CC2)CCO1 ZINC000407979227 357848872 /nfs/dbraw/zinc/84/88/72/357848872.db2.gz SSYWPIMZVUMTTG-LLVKDONJSA-N 1 1 278.356 0.735 10 0 CCAEMO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408042658 357883293 /nfs/dbraw/zinc/88/32/93/357883293.db2.gz MEELBDVDUMGFJC-YFKTTZPYSA-N 1 1 282.388 0.388 10 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/nfs/dbraw/zinc/92/06/95/357920695.db2.gz HKCVTDTYKDWCRI-CMPLNLGQSA-N 1 1 276.340 0.936 10 0 CCAEMO Cc1cnc([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)o1 ZINC000408144253 357938417 /nfs/dbraw/zinc/93/84/17/357938417.db2.gz HXBIGEPKROSVLP-NEPJUHHUSA-N 1 1 278.356 0.550 10 0 CCAEMO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)o1 ZINC000408144255 357938546 /nfs/dbraw/zinc/93/85/46/357938546.db2.gz HXBIGEPKROSVLP-RYUDHWBXSA-N 1 1 278.356 0.550 10 0 CCAEMO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC(=O)N1 ZINC000408200984 357966996 /nfs/dbraw/zinc/96/69/96/357966996.db2.gz CNBVMLGRHBHNTN-SDDRHHMPSA-N 1 1 267.373 0.359 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)NCC2(O)CCC2)C1 ZINC000408209264 357972230 /nfs/dbraw/zinc/97/22/30/357972230.db2.gz RTEPFXLODSXSST-NSHDSACASA-N 1 1 255.362 0.685 10 0 CCAEMO CC(C)N(C)C(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000408240792 357987064 /nfs/dbraw/zinc/98/70/64/357987064.db2.gz PRVDFAIACOHQMB-UHFFFAOYSA-N 1 1 278.356 0.005 10 0 CCAEMO CC(C)N(C)C(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000408240792 357987068 /nfs/dbraw/zinc/98/70/68/357987068.db2.gz PRVDFAIACOHQMB-UHFFFAOYSA-N 1 1 278.356 0.005 10 0 CCAEMO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000408258631 357996253 /nfs/dbraw/zinc/99/62/53/357996253.db2.gz ZDGAGNHQWNKZNJ-OLZOCXBDSA-N 1 1 296.415 0.781 10 0 CCAEMO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000408258631 357996257 /nfs/dbraw/zinc/99/62/57/357996257.db2.gz ZDGAGNHQWNKZNJ-OLZOCXBDSA-N 1 1 296.415 0.781 10 0 CCAEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(C(C)(C)C)nn1 ZINC000408332629 358040106 /nfs/dbraw/zinc/04/01/06/358040106.db2.gz XYIIKDJUEJZGRB-JTQLQIEISA-N 1 1 265.361 0.809 10 0 CCAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(C(C)(C)C)nn1 ZINC000408332629 358040109 /nfs/dbraw/zinc/04/01/09/358040109.db2.gz XYIIKDJUEJZGRB-JTQLQIEISA-N 1 1 265.361 0.809 10 0 CCAEMO Cc1ccncc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000408378540 358062313 /nfs/dbraw/zinc/06/23/13/358062313.db2.gz FPGSOQQQVGIXQS-LBPRGKRZSA-N 1 1 281.381 0.859 10 0 CCAEMO C[C@@H]1C[N@@H+](C)CCN1Cc1nnnn1CC(F)(F)F ZINC000408380245 358063815 /nfs/dbraw/zinc/06/38/15/358063815.db2.gz WCTJSYUIKLRVNV-MRVPVSSYSA-N 1 1 278.282 0.371 10 0 CCAEMO CC[C@@H]1CC[N@H+]1CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000408383772 358065558 /nfs/dbraw/zinc/06/55/58/358065558.db2.gz XVRMLQONMAGSOR-QWHCGFSZSA-N 1 1 267.373 0.598 10 0 CCAEMO CC[C@@H]1C[C@H]1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000408418246 358082916 /nfs/dbraw/zinc/08/29/16/358082916.db2.gz WBFCRUSSFIHIPU-UMSGYPCISA-N 1 1 269.389 0.881 10 0 CCAEMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000571044246 358906411 /nfs/dbraw/zinc/90/64/11/358906411.db2.gz SBJQSCHWRVZYCE-QWRGUYRKSA-N 1 1 275.343 0.830 10 0 CCAEMO C[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]cn3)[C@@H]2C1 ZINC000329525023 202371849 /nfs/dbraw/zinc/37/18/49/202371849.db2.gz SKSSWWIWBYBFGA-WCQYABFASA-N 1 1 262.357 0.895 10 0 CCAEMO C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3cnc[nH]3)[C@@H]2C1 ZINC000329525023 202371852 /nfs/dbraw/zinc/37/18/52/202371852.db2.gz SKSSWWIWBYBFGA-WCQYABFASA-N 1 1 262.357 0.895 10 0 CCAEMO C[N@H+]1CC[C@H]2CCN(C(=O)CCc3cnc[nH]3)[C@@H]2C1 ZINC000329525023 202371857 /nfs/dbraw/zinc/37/18/57/202371857.db2.gz SKSSWWIWBYBFGA-WCQYABFASA-N 1 1 262.357 0.895 10 0 CCAEMO O=C(Nc1cccnc1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177697004 189063801 /nfs/dbraw/zinc/06/38/01/189063801.db2.gz RBOACSCJUGACKL-GFCCVEGCSA-N 1 1 274.324 0.327 10 0 CCAEMO COC(=O)[C@@H](C1CC1)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000611661032 363756199 /nfs/dbraw/zinc/75/61/99/363756199.db2.gz YMWSNVQOTZHQDQ-NWDGAFQWSA-N 1 1 256.346 0.200 10 0 CCAEMO COC(=O)[C@@H](C1CC1)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000611661032 363756205 /nfs/dbraw/zinc/75/62/05/363756205.db2.gz YMWSNVQOTZHQDQ-NWDGAFQWSA-N 1 1 256.346 0.200 10 0 CCAEMO O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000275516765 193063413 /nfs/dbraw/zinc/06/34/13/193063413.db2.gz LSFJVUZNTWKDLK-NWDGAFQWSA-N 1 1 290.367 0.834 10 0 CCAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](CCO)C1 ZINC000616664434 365416834 /nfs/dbraw/zinc/41/68/34/365416834.db2.gz SJOAJAOGYHBYGB-LBPRGKRZSA-N 1 1 288.388 0.842 10 0 CCAEMO OCC[N@@H+]1CCN[C@H](c2ccc3ccnnc3c2)C1 ZINC000616633610 365391738 /nfs/dbraw/zinc/39/17/38/365391738.db2.gz CSYKGAHOUIVCIX-AWEZNQCLSA-N 1 1 258.325 0.568 10 0 CCAEMO OCC[N@H+]1CCN[C@H](c2ccc3ccnnc3c2)C1 ZINC000616633610 365391742 /nfs/dbraw/zinc/39/17/42/365391742.db2.gz CSYKGAHOUIVCIX-AWEZNQCLSA-N 1 1 258.325 0.568 10 0 CCAEMO CCOC(=O)c1ccccc1[C@H]1C[NH2+]CCN1C(N)=O ZINC000616637923 365397721 /nfs/dbraw/zinc/39/77/21/365397721.db2.gz DECFTFFTABDNNP-GFCCVEGCSA-N 1 1 277.324 0.888 10 0 CCAEMO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccc(N)cc1 ZINC000616639925 365399372 /nfs/dbraw/zinc/39/93/72/365399372.db2.gz SGNBPTRHBVHVEM-LLVKDONJSA-N 1 1 255.343 0.175 10 0 CCAEMO NC(=O)N1CC[NH2+][C@@H](c2ccc3nnccc3c2)C1 ZINC000616653028 365409872 /nfs/dbraw/zinc/40/98/72/365409872.db2.gz GJNFMUKXGLYXJK-GFCCVEGCSA-N 1 1 257.297 0.655 10 0 CCAEMO OCC[N@H+]1CCOC[C@H](c2ccc(CO)cc2)C1 ZINC000616659290 365412492 /nfs/dbraw/zinc/41/24/92/365412492.db2.gz IKCLIAKJNDTZBX-CQSZACIVSA-N 1 1 251.326 0.587 10 0 CCAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCOC2CCOCC2)C1 ZINC000625406078 368183736 /nfs/dbraw/zinc/18/37/36/368183736.db2.gz ZIQNWJOKEYYZIX-WCQYABFASA-N 1 1 259.346 0.264 10 0 CCAEMO Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 ZINC000628376201 369253833 /nfs/dbraw/zinc/25/38/33/369253833.db2.gz KAISWLROPFGGFM-ZIAGYGMSSA-N 1 1 276.340 0.383 10 0 CCAEMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCOC1 ZINC000276282040 193270478 /nfs/dbraw/zinc/27/04/78/193270478.db2.gz NAQRNQPRCRZZFA-NWDGAFQWSA-N 1 1 263.341 0.988 10 0 CCAEMO O=C(N[C@H]1CCSC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336591485 284218362 /nfs/dbraw/zinc/21/83/62/284218362.db2.gz HFMORDJFQZWKAS-WDEREUQCSA-N 1 1 255.387 0.982 10 0 CCAEMO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CO)C2)C[N@H+]1C1CC1 ZINC000333073786 205006052 /nfs/dbraw/zinc/00/60/52/205006052.db2.gz KSSTZSRHUQIZEJ-NTZNESFSSA-N 1 1 283.372 0.014 10 0 CCAEMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333206120 205118395 /nfs/dbraw/zinc/11/83/95/205118395.db2.gz APWHZQHIVHSZGG-RDBSUJKOSA-N 1 1 293.411 0.988 10 0 CCAEMO COC(=O)[C@H]1CC[N@H+](CCCS(C)(=O)=O)C[C@@H]1C ZINC000191799868 284364871 /nfs/dbraw/zinc/36/48/71/284364871.db2.gz DGEZYWKPJKSLOA-QWRGUYRKSA-N 1 1 277.386 0.552 10 0 CCAEMO COC(=O)[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C[C@@H]1C ZINC000191799868 284364873 /nfs/dbraw/zinc/36/48/73/284364873.db2.gz DGEZYWKPJKSLOA-QWRGUYRKSA-N 1 1 277.386 0.552 10 0 CCAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000333386201 205276086 /nfs/dbraw/zinc/27/60/86/205276086.db2.gz GGCYEOQWXFGUFX-AGIUHOORSA-N 1 1 290.429 0.958 10 0 CCAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCCOC1 ZINC000637982058 374525664 /nfs/dbraw/zinc/52/56/64/374525664.db2.gz PDYNEHVKCVMKSR-GJZGRUSLSA-N 1 1 291.395 0.741 10 0 CCAEMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H]1CCCOC1 ZINC000637982058 374525676 /nfs/dbraw/zinc/52/56/76/374525676.db2.gz PDYNEHVKCVMKSR-GJZGRUSLSA-N 1 1 291.395 0.741 10 0 CCAEMO O=C(CCC1C[NH2+]C1)N1CCN2CCCC[C@H]2C1 ZINC000638086661 374647265 /nfs/dbraw/zinc/64/72/65/374647265.db2.gz IHAUOEKSGMPQIP-ZDUSSCGKSA-N 1 1 251.374 0.683 10 0 CCAEMO COCCC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000638467720 375070138 /nfs/dbraw/zinc/07/01/38/375070138.db2.gz OHGCHYAFXUGMFB-LBPRGKRZSA-N 1 1 256.346 0.250 10 0 CCAEMO CCC1([NH+](C)C)CCN(C(=O)[C@H](N)COC)CC1 ZINC000638979370 375493991 /nfs/dbraw/zinc/49/39/91/375493991.db2.gz CDQSEUGXMNKMFK-LLVKDONJSA-N 1 1 257.378 0.293 10 0 CCAEMO C[C@@H]1CN(CC[N@H+]2CC[C@@H](O)C[C@H]2C)C[C@H](C)O1 ZINC000639938761 376137575 /nfs/dbraw/zinc/13/75/75/376137575.db2.gz LLYLAYZIXZHWLQ-YIYPIFLZSA-N 1 1 256.390 0.941 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC000334341279 206394613 /nfs/dbraw/zinc/39/46/13/206394613.db2.gz IUYUSYZAEVVUSE-NEPJUHHUSA-N 1 1 280.372 0.097 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1CCCNC1=O ZINC000334341280 206396159 /nfs/dbraw/zinc/39/61/59/206396159.db2.gz IUYUSYZAEVVUSE-NWDGAFQWSA-N 1 1 280.372 0.097 10 0 CCAEMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ns1 ZINC000278735396 194130203 /nfs/dbraw/zinc/13/02/03/194130203.db2.gz YOIZQWFIEXUWNR-VHSXEESVSA-N 1 1 283.397 0.979 10 0 CCAEMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ns1 ZINC000278735396 194130205 /nfs/dbraw/zinc/13/02/05/194130205.db2.gz YOIZQWFIEXUWNR-VHSXEESVSA-N 1 1 283.397 0.979 10 0 CCAEMO C[C@@H](NC(=O)N1CCNC[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000334949535 207342028 /nfs/dbraw/zinc/34/20/28/207342028.db2.gz UQRDUIZRJKTHGZ-NWDGAFQWSA-N 1 1 266.389 0.640 10 0 CCAEMO C[C@@H](NC(=O)N1CCNC[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000334949535 207342030 /nfs/dbraw/zinc/34/20/30/207342030.db2.gz UQRDUIZRJKTHGZ-NWDGAFQWSA-N 1 1 266.389 0.640 10 0 CCAEMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246064211 285002382 /nfs/dbraw/zinc/00/23/82/285002382.db2.gz AQPIFBMDSCAHOU-DTWKUNHWSA-N 1 1 259.375 0.658 10 0 CCAEMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246064211 285002386 /nfs/dbraw/zinc/00/23/86/285002386.db2.gz AQPIFBMDSCAHOU-DTWKUNHWSA-N 1 1 259.375 0.658 10 0 CCAEMO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C)O2)CC[N@H+]1C[C@@H](C)O ZINC000246102713 285004240 /nfs/dbraw/zinc/00/42/40/285004240.db2.gz WQBMQVGKKVWOJW-SYQHCUMBSA-N 1 1 284.400 0.858 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCCO2)C[C@@H]1C ZINC000246197635 285009273 /nfs/dbraw/zinc/00/92/73/285009273.db2.gz LQZDDOFSOXROEY-AVGNSLFASA-N 1 1 270.373 0.469 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCCO2)C[C@@H]1C ZINC000246197635 285009274 /nfs/dbraw/zinc/00/92/74/285009274.db2.gz LQZDDOFSOXROEY-AVGNSLFASA-N 1 1 270.373 0.469 10 0 CCAEMO Cc1ncccc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246657234 285028271 /nfs/dbraw/zinc/02/82/71/285028271.db2.gz GWXGINJJWSRHGY-NEPJUHHUSA-N 1 1 277.368 0.917 10 0 CCAEMO Cc1ncccc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246657234 285028272 /nfs/dbraw/zinc/02/82/72/285028272.db2.gz GWXGINJJWSRHGY-NEPJUHHUSA-N 1 1 277.368 0.917 10 0 CCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2csnn2)C1 ZINC000246792882 285033089 /nfs/dbraw/zinc/03/30/89/285033089.db2.gz CTIKCIFPOBIQSR-DTWKUNHWSA-N 1 1 254.359 0.997 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)OC)C[C@@H]1CC ZINC000246880633 285035548 /nfs/dbraw/zinc/03/55/48/285035548.db2.gz FYTUKRZFQKVYFR-STQMWFEESA-N 1 1 272.389 0.981 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)OC)C[C@@H]1CC ZINC000246880633 285035549 /nfs/dbraw/zinc/03/55/49/285035549.db2.gz FYTUKRZFQKVYFR-STQMWFEESA-N 1 1 272.389 0.981 10 0 CCAEMO CC[C@@H]1CN(C(=O)[C@H]2CCCOC2)CC[N@H+]1C[C@H](C)O ZINC000246944052 285038049 /nfs/dbraw/zinc/03/80/49/285038049.db2.gz RWCWFXNMVIUWJC-MELADBBJSA-N 1 1 284.400 0.717 10 0 CCAEMO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCN1C[C@H](C)O ZINC000247034323 285040884 /nfs/dbraw/zinc/04/08/84/285040884.db2.gz DIAHUMUYIMANAZ-ZNMIVQPWSA-N 1 1 296.415 0.021 10 0 CCAEMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCN1C[C@H](C)O ZINC000247034323 285040887 /nfs/dbraw/zinc/04/08/87/285040887.db2.gz DIAHUMUYIMANAZ-ZNMIVQPWSA-N 1 1 296.415 0.021 10 0 CCAEMO Cc1nnc([C@H](C)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)o1 ZINC000247233275 285045629 /nfs/dbraw/zinc/04/56/29/285045629.db2.gz RMOWOXHPIFTVQB-VWYCJHECSA-N 1 1 268.361 0.826 10 0 CCAEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247644680 285056959 /nfs/dbraw/zinc/05/69/59/285056959.db2.gz UDLPHPZYZZUFHL-JHJVBQTASA-N 1 1 281.400 0.831 10 0 CCAEMO COCCN1C[C@H]2C[N@H+](C3CCC3)CCN2C1=O ZINC000077266933 285063548 /nfs/dbraw/zinc/06/35/48/285063548.db2.gz ZPAMKJACTKJOQS-GFCCVEGCSA-N 1 1 253.346 0.607 10 0 biogenic CCAEMO CO[C@@H](C)C[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000248437308 285064893 /nfs/dbraw/zinc/06/48/93/285064893.db2.gz SMMQIGNOSKXBOC-QWHCGFSZSA-N 1 1 253.346 0.927 10 0 CCAEMO CO[C@@H](C)C[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000248437308 285064894 /nfs/dbraw/zinc/06/48/94/285064894.db2.gz SMMQIGNOSKXBOC-QWHCGFSZSA-N 1 1 253.346 0.927 10 0 CCAEMO COCC[N@@H+]1CCN([C@H](C)c2nc(COC)no2)C[C@H]1C ZINC000248470961 285067370 /nfs/dbraw/zinc/06/73/70/285067370.db2.gz VLWBKXWQSRRJBD-VXGBXAGGSA-N 1 1 298.387 0.930 10 0 CCAEMO COCC[N@H+]1CCN([C@H](C)c2nc(COC)no2)C[C@H]1C ZINC000248470961 285067371 /nfs/dbraw/zinc/06/73/71/285067371.db2.gz VLWBKXWQSRRJBD-VXGBXAGGSA-N 1 1 298.387 0.930 10 0 CCAEMO Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)no1 ZINC000248741129 285078450 /nfs/dbraw/zinc/07/84/50/285078450.db2.gz PXUIKVLSBMNFAP-UWVGGRQHSA-N 1 1 282.344 0.902 10 0 CCAEMO Cc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)no1 ZINC000248741129 285078453 /nfs/dbraw/zinc/07/84/53/285078453.db2.gz PXUIKVLSBMNFAP-UWVGGRQHSA-N 1 1 282.344 0.902 10 0 CCAEMO O=C1NCCCC[C@H]1[N@@H+]1CCCN(CC(F)F)CC1 ZINC000180554693 296366094 /nfs/dbraw/zinc/36/60/94/296366094.db2.gz OZCJXJSZBFZCDY-LLVKDONJSA-N 1 1 275.343 0.928 10 0 CCAEMO O=C1NCCCC[C@H]1[N@H+]1CCCN(CC(F)F)CC1 ZINC000180554693 296366095 /nfs/dbraw/zinc/36/60/95/296366095.db2.gz OZCJXJSZBFZCDY-LLVKDONJSA-N 1 1 275.343 0.928 10 0 CCAEMO CO[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1cnn(C)c1 ZINC000281127459 195114327 /nfs/dbraw/zinc/11/43/27/195114327.db2.gz COYHVOQTMNCBDM-UBHSHLNASA-N 1 1 292.383 0.803 10 0 CCAEMO CCCn1ncnc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392936153 285206700 /nfs/dbraw/zinc/20/67/00/285206700.db2.gz MVFMKEVXAIWGJL-NXEZZACHSA-N 1 1 251.334 0.445 10 0 CCAEMO CCN1CCC[N@@H+]([C@@H]2CCCCNC2=O)CC1=O ZINC000190182889 285225428 /nfs/dbraw/zinc/22/54/28/285225428.db2.gz RHAVVTWZKIBDCF-LLVKDONJSA-N 1 1 253.346 0.209 10 0 CCAEMO CCN1CCC[N@H+]([C@@H]2CCCCNC2=O)CC1=O ZINC000190182889 285225433 /nfs/dbraw/zinc/22/54/33/285225433.db2.gz RHAVVTWZKIBDCF-LLVKDONJSA-N 1 1 253.346 0.209 10 0 CCAEMO COCC[N@H+]1C[C@@H]2CC[C@]3(N=C(C)N(C)C3=O)[C@@H]2C1 ZINC000248050627 256693035 /nfs/dbraw/zinc/69/30/35/256693035.db2.gz RANFFLVEZJIZIF-SCRDCRAPSA-N 1 1 265.357 0.604 10 0 CCAEMO COCCNC(=O)[C@@H]1C[N@@H+](C2CCC2)Cc2ncn(C)c21 ZINC000248077126 256693038 /nfs/dbraw/zinc/69/30/38/256693038.db2.gz ZGXAZTIWXXIEKH-GFCCVEGCSA-N 1 1 292.383 0.634 10 0 CCAEMO COCCNC(=O)[C@@H]1C[N@H+](C2CCC2)Cc2ncn(C)c21 ZINC000248077126 256693039 /nfs/dbraw/zinc/69/30/39/256693039.db2.gz ZGXAZTIWXXIEKH-GFCCVEGCSA-N 1 1 292.383 0.634 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](c3nn[nH]n3)C[C@H]2C1 ZINC000012506809 388786185 /nfs/dbraw/zinc/78/61/85/388786185.db2.gz KPJGJAMQQDPGGT-ZJUUUORDSA-N 1 1 294.359 0.608 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@H](c3nn[nH]n3)C[C@H]2C1 ZINC000012506809 388786190 /nfs/dbraw/zinc/78/61/90/388786190.db2.gz KPJGJAMQQDPGGT-ZJUUUORDSA-N 1 1 294.359 0.608 10 0 CCAEMO Cn1ncc2c1ncnc2N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285246712 388790128 /nfs/dbraw/zinc/79/01/28/388790128.db2.gz YVCWEECEAYGVOW-RYUDHWBXSA-N 1 1 288.355 0.273 10 0 CCAEMO O=C1CNC(=O)N1CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063567255 388941655 /nfs/dbraw/zinc/94/16/55/388941655.db2.gz SVQGRNYJLBMUNN-GHMZBOCLSA-N 1 1 267.329 0.182 10 0 CCAEMO O=C1CNC(=O)N1CC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063567255 388941660 /nfs/dbraw/zinc/94/16/60/388941660.db2.gz SVQGRNYJLBMUNN-GHMZBOCLSA-N 1 1 267.329 0.182 10 0 CCAEMO CCOCC[N@H+]1CCN([C@@H](C)c2nnnn2C)C[C@@H]1CC ZINC000189162021 388950490 /nfs/dbraw/zinc/95/04/90/388950490.db2.gz PBNPMLLSEHPVEK-STQMWFEESA-N 1 1 296.419 0.704 10 0 CCAEMO CCNC(=O)CC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075889436 388984807 /nfs/dbraw/zinc/98/48/07/388984807.db2.gz JKFNUFYZDHKKQS-CYBMUJFWSA-N 1 1 269.389 0.309 10 0 CCAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307992310 389092213 /nfs/dbraw/zinc/09/22/13/389092213.db2.gz XWCPCBAXOOEWSH-DJLDLDEBSA-N 1 1 257.252 0.381 10 0 CCAEMO Cc1[nH+]ccn1-c1cncc(N2C[C@H](C)O[C@H](CO)C2)n1 ZINC000302612010 389075143 /nfs/dbraw/zinc/07/51/43/389075143.db2.gz ATMWVRPEJQESOJ-JQWIXIFHSA-N 1 1 289.339 0.557 10 0 CCAEMO Cc1[nH+]ccn1-c1cncc(N2C[C@@H](C)O[C@H](CO)C2)n1 ZINC000302612012 389075192 /nfs/dbraw/zinc/07/51/92/389075192.db2.gz ATMWVRPEJQESOJ-PWSUYJOCSA-N 1 1 289.339 0.557 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)NCCn2ccnc2)C1 ZINC000194132303 389088764 /nfs/dbraw/zinc/08/87/64/389088764.db2.gz YJZLAVNCIVESHX-LBPRGKRZSA-N 1 1 265.361 0.667 10 0 CCAEMO C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@@H]1O ZINC000305765454 389089073 /nfs/dbraw/zinc/08/90/73/389089073.db2.gz QSWDLEBONZHKQH-CBBWQLFWSA-N 1 1 296.411 0.859 10 0 CCAEMO CCN1CCO[C@@H](CNCc2snnc2C)C1 ZINC000310555855 389096969 /nfs/dbraw/zinc/09/69/69/389096969.db2.gz YFNGJAOIMGVART-JTQLQIEISA-N 1 1 256.375 0.657 10 0 CCAEMO O=C(c1csnn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195059411 389114395 /nfs/dbraw/zinc/11/43/95/389114395.db2.gz KAXOOGXYWYWXTH-VIFPVBQESA-N 1 1 252.343 0.848 10 0 CCAEMO O=C(c1csnn1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195059411 389114398 /nfs/dbraw/zinc/11/43/98/389114398.db2.gz KAXOOGXYWYWXTH-VIFPVBQESA-N 1 1 252.343 0.848 10 0 CCAEMO CCCCOC[C@H](O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000195181038 389118575 /nfs/dbraw/zinc/11/85/75/389118575.db2.gz XVZVKNWDXXNGDC-VXGBXAGGSA-N 1 1 260.378 0.478 10 0 CCAEMO CC[N@@H+](CCNC(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000219909839 389138691 /nfs/dbraw/zinc/13/86/91/389138691.db2.gz DCIAFDAXUYJOKM-GFCCVEGCSA-N 1 1 253.390 0.977 10 0 CCAEMO C[C@@H]1C[N@@H+](Cc2ccnc(N)c2)C[C@H]1N1CCOCC1 ZINC000248728022 389249202 /nfs/dbraw/zinc/24/92/02/389249202.db2.gz JNXIQDQCQILFFY-TZMCWYRMSA-N 1 1 276.384 0.816 10 0 CCAEMO CN1CCO[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000245465205 389209585 /nfs/dbraw/zinc/20/95/85/389209585.db2.gz QDHXLDFOAPGBSB-STQMWFEESA-N 1 1 267.373 0.014 10 0 CCAEMO CN1CCO[C@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000245465205 389209587 /nfs/dbraw/zinc/20/95/87/389209587.db2.gz QDHXLDFOAPGBSB-STQMWFEESA-N 1 1 267.373 0.014 10 0 CCAEMO CCOCC[N@H+]1CCN([C@H]2CCNC2=O)C[C@H]1CC ZINC000245675782 389216032 /nfs/dbraw/zinc/21/60/32/389216032.db2.gz HELIUNRAAKXNPI-OLZOCXBDSA-N 1 1 269.389 0.308 10 0 CCAEMO 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COc1ccc(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)nn1 ZINC000284965600 286306904 /nfs/dbraw/zinc/30/69/04/286306904.db2.gz WSODPTDDLPMAFN-CHWSQXEVSA-N 1 1 278.356 0.390 10 0 CCAEMO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1C[C@@H](C)O ZINC000261716952 287155727 /nfs/dbraw/zinc/15/57/27/287155727.db2.gz JRVUFKOSLCRTED-KBUPBQIOSA-N 1 1 297.443 0.665 10 0 CCAEMO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)S(C)(=O)=O ZINC000253549580 287227587 /nfs/dbraw/zinc/22/75/87/287227587.db2.gz TVOFHXBGXXUQHC-UTUOFQBUSA-N 1 1 288.413 0.505 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)S(C)(=O)=O ZINC000253549580 287227588 /nfs/dbraw/zinc/22/75/88/287227588.db2.gz TVOFHXBGXXUQHC-UTUOFQBUSA-N 1 1 288.413 0.505 10 0 CCAEMO COc1cc(OC)cc(C(=O)NN2CC[NH+](C)CC2)c1 ZINC000005525532 170108505 /nfs/dbraw/zinc/10/85/05/170108505.db2.gz VASTYERSSMDZMC-UHFFFAOYSA-N 1 1 279.340 0.596 10 0 CCAEMO C[NH+](C)[C@H]1CCN(Cc2nc(C(C)(C)N)no2)C1 ZINC000062965781 411687706 /nfs/dbraw/zinc/68/77/06/411687706.db2.gz 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CCOCC[N@H+]1CCN(C(=O)c2cnn(C)c2C)C[C@@H]1C ZINC000117274844 276322154 /nfs/dbraw/zinc/32/21/54/276322154.db2.gz JWXXXPMHCJHHAM-LBPRGKRZSA-N 1 1 294.399 0.911 10 0 CCAEMO CC[NH+](CC)CCCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000170240693 276325646 /nfs/dbraw/zinc/32/56/46/276325646.db2.gz MUDCNFHTHKBUIF-NSHDSACASA-N 1 1 279.388 0.758 10 0 CCAEMO CC[NH+](CC)CCCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000170240693 276325648 /nfs/dbraw/zinc/32/56/48/276325648.db2.gz MUDCNFHTHKBUIF-NSHDSACASA-N 1 1 279.388 0.758 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000332875298 276372668 /nfs/dbraw/zinc/37/26/68/276372668.db2.gz WGGYWADVNWLSFC-AAVRWANBSA-N 1 1 282.384 0.638 10 0 CCAEMO CC[N@H+]1CC[C@@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000334127154 276395394 /nfs/dbraw/zinc/39/53/94/276395394.db2.gz QGZOYTOHHRTIFE-GFCCVEGCSA-N 1 1 290.367 0.949 10 0 CCAEMO CC[N@H+]1CC[C@@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000329658310 276396290 /nfs/dbraw/zinc/39/62/90/276396290.db2.gz NICRAXYAZULJAG-GFCCVEGCSA-N 1 1 275.418 0.791 10 0 CCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2nccs2)CC1 ZINC000184885595 276596156 /nfs/dbraw/zinc/59/61/56/276596156.db2.gz LXKXGYAHOUJEEV-NSHDSACASA-N 1 1 298.412 0.741 10 0 CCAEMO CNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000093886127 277003005 /nfs/dbraw/zinc/00/30/05/277003005.db2.gz PJXLCNIRRPNSHY-LBPRGKRZSA-N 1 1 254.378 0.428 10 0 CCAEMO CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCCNC2=O)C1 ZINC000245925962 277058353 /nfs/dbraw/zinc/05/83/53/277058353.db2.gz UBQKMIYBBIYERP-RYUDHWBXSA-N 1 1 253.346 0.256 10 0 CCAEMO CN1C[C@H](NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC1=O ZINC000162918641 277203208 /nfs/dbraw/zinc/20/32/08/277203208.db2.gz MRTFMCWWBKJQJC-CHWSQXEVSA-N 1 1 294.399 0.487 10 0 CCAEMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247087740 277236569 /nfs/dbraw/zinc/23/65/69/277236569.db2.gz PPPBERVJVPPCOS-PWSUYJOCSA-N 1 1 293.371 0.500 10 0 CCAEMO CNC(=O)[C@@H]1C[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)CCO1 ZINC000248456645 277245874 /nfs/dbraw/zinc/24/58/74/277245874.db2.gz SJYCSXIBGHPBRG-MELADBBJSA-N 1 1 276.336 0.092 10 0 CCAEMO CNC(=O)[C@@H]1C[N@H+]([C@H]2Cc3ccccc3[C@H]2O)CCO1 ZINC000248456645 277245875 /nfs/dbraw/zinc/24/58/75/277245875.db2.gz SJYCSXIBGHPBRG-MELADBBJSA-N 1 1 276.336 0.092 10 0 CCAEMO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000336791730 278263434 /nfs/dbraw/zinc/26/34/34/278263434.db2.gz OSSUTNALBVGFOS-MELADBBJSA-N 1 1 256.390 0.990 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cnn(C)c2)C[C@H]1C ZINC000136735857 278399017 /nfs/dbraw/zinc/39/90/17/278399017.db2.gz ZGKNWOMMDFJFPJ-GHMZBOCLSA-N 1 1 281.360 0.339 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cnn(C)c2)C[C@H]1C ZINC000136735857 278399018 /nfs/dbraw/zinc/39/90/18/278399018.db2.gz ZGKNWOMMDFJFPJ-GHMZBOCLSA-N 1 1 281.360 0.339 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)C[C@@H]1C ZINC000333568471 278399261 /nfs/dbraw/zinc/39/92/61/278399261.db2.gz PINZBKQBLSJISW-RNJOBUHISA-N 1 1 270.373 0.467 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H](C)O2)C[C@@H]1C ZINC000333568471 278399262 /nfs/dbraw/zinc/39/92/62/278399262.db2.gz PINZBKQBLSJISW-RNJOBUHISA-N 1 1 270.373 0.467 10 0 CCAEMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000121197190 288103578 /nfs/dbraw/zinc/10/35/78/288103578.db2.gz RFMPJRIJQQXLOB-UTUOFQBUSA-N 1 1 277.434 0.244 10 0 CCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1Cc1nnn(C)n1 ZINC000194447049 279173213 /nfs/dbraw/zinc/17/32/13/279173213.db2.gz FSZQVGDGPBLZSN-NSHDSACASA-N 1 1 261.333 0.380 10 0 CCAEMO C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246830888 279182606 /nfs/dbraw/zinc/18/26/06/279182606.db2.gz CLEWDRNVTPZWKW-GHMZBOCLSA-N 1 1 250.346 0.686 10 0 CCAEMO CC(C)N(C)C(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545076 279324242 /nfs/dbraw/zinc/32/42/42/279324242.db2.gz PFRQLSNSSGFSNY-YNEHKIRRSA-N 1 1 253.390 0.912 10 0 CCAEMO CC(C)N(C)S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247154240 279392284 /nfs/dbraw/zinc/39/22/84/279392284.db2.gz KEQYQRKCSKISLP-NEPJUHHUSA-N 1 1 275.418 0.740 10 0 CCAEMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000332918115 288130687 /nfs/dbraw/zinc/13/06/87/288130687.db2.gz ZNGDBCAKTLKDMH-KGYLQXTDSA-N 1 1 279.384 0.644 10 0 CCAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC(=O)N(C)C ZINC000335403231 288296512 /nfs/dbraw/zinc/29/65/12/288296512.db2.gz FCLKDSFANJWHHE-NEPJUHHUSA-N 1 1 282.388 0.343 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[S@](C)=O ZINC000179167033 288301409 /nfs/dbraw/zinc/30/14/09/288301409.db2.gz KYVHYYWUFFSMLZ-AGKHESDQSA-N 1 1 258.387 0.450 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC(=O)NC1 ZINC000252674517 288304288 /nfs/dbraw/zinc/30/42/88/288304288.db2.gz RTSNAHFCSOFGSS-GRYCIOLGSA-N 1 1 265.357 0.208 10 0 CCAEMO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCNC(C)(C)C2)C1 ZINC000334938290 289319440 /nfs/dbraw/zinc/31/94/40/289319440.db2.gz RJFROVBMVGYKCB-VXGBXAGGSA-N 1 1 268.405 0.863 10 0 CCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2CCCOC2)cn1 ZINC000181375858 294282081 /nfs/dbraw/zinc/28/20/81/294282081.db2.gz OZDWQTTXHPKTLV-AAEUAGOBSA-N 1 1 278.356 0.320 10 0 CCAEMO COc1cc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)ccn1 ZINC000393299711 545087839 /nfs/dbraw/zinc/08/78/39/545087839.db2.gz PLKGPRJYHNGDKM-KCJUWKMLSA-N 1 1 251.286 0.406 10 0 CCAEMO CCn1cc(C[NH2+]C[C@H](O)COCc2ccco2)nn1 ZINC000404488771 545091547 /nfs/dbraw/zinc/09/15/47/545091547.db2.gz NRLNRABVHDYJMZ-LBPRGKRZSA-N 1 1 280.328 0.558 10 0 CCAEMO O=C1NC[C@H](C[N@H+]2CC[C@](O)(C(F)(F)F)C2)O1 ZINC000379577919 330135491 /nfs/dbraw/zinc/13/54/91/330135491.db2.gz DBWJUNZXWYQWIT-HTRCEHHLSA-N 1 1 254.208 0.094 10 0 CCAEMO O=C1NC[C@H](C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)O1 ZINC000379577919 330135492 /nfs/dbraw/zinc/13/54/92/330135492.db2.gz DBWJUNZXWYQWIT-HTRCEHHLSA-N 1 1 254.208 0.094 10 0 CCAEMO C[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCCC2)[C@@H](C)O1 ZINC000385150111 336141012 /nfs/dbraw/zinc/14/10/12/336141012.db2.gz MZHOVOAYBUCQQH-MQYQWHSLSA-N 1 1 256.390 0.989 10 0 CCAEMO CCCN[C@@H](CC[N@H+]1CCCOCC1)C(=O)OC ZINC000062533435 519998336 /nfs/dbraw/zinc/99/83/36/519998336.db2.gz FQNNRDMVTHMMII-LBPRGKRZSA-N 1 1 258.362 0.640 10 0 CCAEMO CCN[C@@H](CCN(C)[C@@H]1CCC[N@@H+](C)C1)C(=O)OC ZINC000062531798 520086717 /nfs/dbraw/zinc/08/67/17/520086717.db2.gz ZNTANQBLNHAMSZ-OLZOCXBDSA-N 1 1 271.405 0.554 10 0 CCAEMO CCN[C@@H](CC[N@H+](C)[C@@H]1CCCN(C)C1)C(=O)OC ZINC000062531798 520086721 /nfs/dbraw/zinc/08/67/21/520086721.db2.gz ZNTANQBLNHAMSZ-OLZOCXBDSA-N 1 1 271.405 0.554 10 0 CCAEMO CCN[C@@H](CC[N@@H+](C)[C@@H]1CCCN(C)C1)C(=O)OC ZINC000062531798 520086729 /nfs/dbraw/zinc/08/67/29/520086729.db2.gz ZNTANQBLNHAMSZ-OLZOCXBDSA-N 1 1 271.405 0.554 10 0 CCAEMO CC[N@H+]([C@H]1CS(=O)(=O)C[C@@H]1N)C1CCCCC1 ZINC000054492844 521476427 /nfs/dbraw/zinc/47/64/27/521476427.db2.gz WVJJWFYYFMLSPD-RYUDHWBXSA-N 1 1 260.403 0.765 10 0 CCAEMO CC[N@@H+]([C@H]1CS(=O)(=O)C[C@@H]1N)C1CCCCC1 ZINC000054492844 521476433 /nfs/dbraw/zinc/47/64/33/521476433.db2.gz WVJJWFYYFMLSPD-RYUDHWBXSA-N 1 1 260.403 0.765 10 0 CCAEMO COCC[C@@H]([NH3+])C(=O)OCCOc1ccccc1 ZINC000052786641 521831137 /nfs/dbraw/zinc/83/11/37/521831137.db2.gz YTIXPSDRKGSTMQ-GFCCVEGCSA-N 1 1 253.298 0.972 10 0 CCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cnn(C)c2)CC1 ZINC000184946753 522997096 /nfs/dbraw/zinc/99/70/96/522997096.db2.gz FPYZZHMGJZKIJZ-CYBMUJFWSA-N 1 1 295.387 0.018 10 0 CCAEMO COCCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000156573177 523226525 /nfs/dbraw/zinc/22/65/25/523226525.db2.gz FGUCROZJNHTBCR-NWDGAFQWSA-N 1 1 258.362 0.638 10 0 CCAEMO COCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)[O-] ZINC000049607612 523727557 /nfs/dbraw/zinc/72/75/57/523727557.db2.gz NZVVILNUPDMDGC-LBPRGKRZSA-N 1 1 258.362 0.894 10 0 CCAEMO COCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)[O-] ZINC000049607612 523727563 /nfs/dbraw/zinc/72/75/63/523727563.db2.gz NZVVILNUPDMDGC-LBPRGKRZSA-N 1 1 258.362 0.894 10 0 CCAEMO COCC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)[O-] ZINC000049607612 523727569 /nfs/dbraw/zinc/72/75/69/523727569.db2.gz NZVVILNUPDMDGC-LBPRGKRZSA-N 1 1 258.362 0.894 10 0 CCAEMO CCc1cc(=O)[nH]c(CN2CCC[N@H+]([C@H](C)CO)CC2)n1 ZINC000364953134 523833276 /nfs/dbraw/zinc/83/32/76/523833276.db2.gz DYOLKHMKJUHINY-GFCCVEGCSA-N 1 1 294.399 0.633 10 0 CCAEMO COc1ccccc1CCN1CCN(CC[NH3+])CC1 ZINC000049854824 524410942 /nfs/dbraw/zinc/41/09/42/524410942.db2.gz FRPXNLJFOIANAU-UHFFFAOYSA-N 1 1 263.385 0.814 10 0 CCAEMO C[C@@H](CN1CCCCC1)NS(=O)(=O)CCC[NH3+] ZINC000049502442 524607051 /nfs/dbraw/zinc/60/70/51/524607051.db2.gz GXCYFJQZFYNZSW-NSHDSACASA-N 1 1 263.407 0.129 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccon2)C[C@@H]1C ZINC000183586062 525793801 /nfs/dbraw/zinc/79/38/01/525793801.db2.gz LAQHSOYPKGQNHB-VHSXEESVSA-N 1 1 268.317 0.593 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccon2)C[C@@H]1C ZINC000183586062 525793805 /nfs/dbraw/zinc/79/38/05/525793805.db2.gz LAQHSOYPKGQNHB-VHSXEESVSA-N 1 1 268.317 0.593 10 0 CCAEMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184721136 525937877 /nfs/dbraw/zinc/93/78/77/525937877.db2.gz VAGHSAXBHXLZHO-BPLDGKMQSA-N 1 1 292.379 0.461 10 0 CCAEMO O=C(N[C@@H]1CCCC[C@@H]1CO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000364976928 526886080 /nfs/dbraw/zinc/88/60/80/526886080.db2.gz GFHRTIOBTQXBFV-MGPQQGTHSA-N 1 1 281.400 0.044 10 0 CCAEMO O=C(CN[C@H]1CC[N@@H+]2CCC[C@@H]12)NCC(F)(F)F ZINC000049567445 526892341 /nfs/dbraw/zinc/89/23/41/526892341.db2.gz SCZYMBUHRPGLSA-IUCAKERBSA-N 1 1 265.279 0.491 10 0 CCAEMO O=C(CN[C@H]1CC[N@H+]2CCC[C@@H]12)NCC(F)(F)F ZINC000049567445 526892347 /nfs/dbraw/zinc/89/23/47/526892347.db2.gz SCZYMBUHRPGLSA-IUCAKERBSA-N 1 1 265.279 0.491 10 0 CCAEMO Cc1[nH+]ccn1CC[S@@](=O)c1ccncc1N ZINC000050477992 527435431 /nfs/dbraw/zinc/43/54/31/527435431.db2.gz ODAZHYRHGHJHNU-KRWDZBQOSA-N 1 1 250.327 0.977 10 0 CCAEMO Nc1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](O)C2)c1 ZINC000061709702 527519897 /nfs/dbraw/zinc/51/98/97/527519897.db2.gz UIZQBJWTMGTRRN-RYUDHWBXSA-N 1 1 252.314 0.075 10 0 CCAEMO CC(C)n1cc(C[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)cn1 ZINC000671491286 545249592 /nfs/dbraw/zinc/24/95/92/545249592.db2.gz AWRCNWRLQAFHOA-AWEZNQCLSA-N 1 1 290.371 0.693 10 0 CCAEMO Cn1cc(CC2=C[C@@H]([NH3+])CNC2)c(Br)n1 ZINC000675077763 545321407 /nfs/dbraw/zinc/32/14/07/545321407.db2.gz ICHGPWMLAJSIFO-SECBINFHSA-N 1 1 271.162 0.582 10 0 CCAEMO CN[C@H](C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)c1cnn(C)c1 ZINC000262318504 536380897 /nfs/dbraw/zinc/38/08/97/536380897.db2.gz DVNGHHVPFGCENM-BNOWGMLFSA-N 1 1 291.399 0.376 10 0 CCAEMO C[NH2+][C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)c1cnn(C)c1 ZINC000262533388 536383809 /nfs/dbraw/zinc/38/38/09/536383809.db2.gz MHOHOPJQBHBKKT-DRZSPHRISA-N 1 1 280.372 0.348 10 0 CCAEMO CN1CCO[C@H](C[N@@H+](C)Cc2ccc(CO)cc2)C1 ZINC000679317924 545406927 /nfs/dbraw/zinc/40/69/27/545406927.db2.gz HVGVHSONRXUWSM-HNNXBMFYSA-N 1 1 264.369 0.941 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000253549362 581588705 /nfs/dbraw/zinc/58/87/05/581588705.db2.gz RCKXZCRBEAWYKV-MJBXVCDLSA-N 1 1 293.411 0.940 10 0 CCAEMO CCCOC(=O)[C@H](C)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000119161134 614932420 /nfs/dbraw/zinc/93/24/20/614932420.db2.gz FPRQOFZBSSLZBB-OLZOCXBDSA-N 1 1 272.389 0.981 10 0 CCAEMO CC[N@@H+]1CCO[C@@H](CNc2cc(Cl)nc(N)n2)C1 ZINC000134432218 615175973 /nfs/dbraw/zinc/17/59/73/615175973.db2.gz MGLRNDJSDGIVQO-QMMMGPOBSA-N 1 1 271.752 0.845 10 0 CCAEMO CC[N@H+]1CCO[C@@H](CNc2cc(Cl)nc(N)n2)C1 ZINC000134432218 615175975 /nfs/dbraw/zinc/17/59/75/615175975.db2.gz MGLRNDJSDGIVQO-QMMMGPOBSA-N 1 1 271.752 0.845 10 0 CCAEMO CC[C@@H](CO)[N@@H+]1CCO[C@H](CN(C)c2cccnn2)C1 ZINC000929741921 615489095 /nfs/dbraw/zinc/48/90/95/615489095.db2.gz ZGSXZYXDWGVSTK-QWHCGFSZSA-N 1 1 280.372 0.385 10 0 CCAEMO CC[C@@H](CO)[N@H+]1CCO[C@H](CN(C)c2cccnn2)C1 ZINC000929741921 615489104 /nfs/dbraw/zinc/48/91/04/615489104.db2.gz ZGSXZYXDWGVSTK-QWHCGFSZSA-N 1 1 280.372 0.385 10 0 CCAEMO CCn1cccc1C[N@H+]1CCC[C@](O)(CC(=O)NC)C1 ZINC000886085310 615606841 /nfs/dbraw/zinc/60/68/41/615606841.db2.gz KRFVKRSHGKOKRE-HNNXBMFYSA-N 1 1 279.384 0.971 10 0 CCAEMO CC[C@H](CO)[N@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000930528113 615734983 /nfs/dbraw/zinc/73/49/83/615734983.db2.gz HWSJXHNYWXBFHT-VXGBXAGGSA-N 1 1 275.356 0.986 10 0 CCAEMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 ZINC000897996161 616210462 /nfs/dbraw/zinc/21/04/62/616210462.db2.gz NEVBJCRRIHKHBL-CIUDSAMLSA-N 1 1 293.289 0.203 10 0 CCAEMO COC(=O)c1cn(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)nn1 ZINC000116257877 616962902 /nfs/dbraw/zinc/96/29/02/616962902.db2.gz BKEKFLDGWCRSML-SNVBAGLBSA-N 1 1 290.327 0.245 10 0 CCAEMO COC(=O)c1cn(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)nn1 ZINC000116257877 616962905 /nfs/dbraw/zinc/96/29/05/616962905.db2.gz BKEKFLDGWCRSML-SNVBAGLBSA-N 1 1 290.327 0.245 10 0 CCAEMO O=C(N1CC[N@@H+]2CCCC[C@H]2C1)C1(O)CCOCC1 ZINC000330022406 625483530 /nfs/dbraw/zinc/48/35/30/625483530.db2.gz ZMEDQJRIPRXSSE-LBPRGKRZSA-N 1 1 268.357 0.225 10 0 CCAEMO O=C(N1CC[N@H+]2CCCC[C@H]2C1)C1(O)CCOCC1 ZINC000330022406 625483531 /nfs/dbraw/zinc/48/35/31/625483531.db2.gz ZMEDQJRIPRXSSE-LBPRGKRZSA-N 1 1 268.357 0.225 10 0 CCAEMO CC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000310971761 623613763 /nfs/dbraw/zinc/61/37/63/623613763.db2.gz COGGVSVCWKLLDU-KBPBESRZSA-N 1 1 254.374 0.744 10 0 CCAEMO CC(=O)[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310971761 623613769 /nfs/dbraw/zinc/61/37/69/623613769.db2.gz COGGVSVCWKLLDU-KBPBESRZSA-N 1 1 254.374 0.744 10 0 CCAEMO CCCCOC[C@H](O)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312959847 625697317 /nfs/dbraw/zinc/69/73/17/625697317.db2.gz MWHYNWQDXPKILI-LSDHHAIUSA-N 1 1 285.432 0.144 10 0 CCAEMO CCN1CCC[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000049645720 624491499 /nfs/dbraw/zinc/49/14/99/624491499.db2.gz BHPRYTMDUIQSFK-VXGBXAGGSA-N 1 1 275.418 0.142 10 0 CCAEMO O=S(=O)(N[C@@H]1C[NH+]2CCC1CC2)c1cccnc1 ZINC000222577184 631572738 /nfs/dbraw/zinc/57/27/38/631572738.db2.gz ONVFAQPVHKXCIM-GFCCVEGCSA-N 1 1 267.354 0.454 10 0 CCAEMO CC[NH+]1CCN(C(=O)c2cnc3nsnc3c2)CC1 ZINC000222606831 631572990 /nfs/dbraw/zinc/57/29/90/631572990.db2.gz OTZTTWKDISAOEU-UHFFFAOYSA-N 1 1 277.353 0.864 10 0 CCAEMO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NCc2csc(=O)[nH]2)O1 ZINC000897002080 632374124 /nfs/dbraw/zinc/37/41/24/632374124.db2.gz RCAJEJYUBZFKSK-APPZFPTMSA-N 1 1 271.342 0.184 10 0 CCAEMO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NCc2csc(=O)[nH]2)O1 ZINC000897002080 632374130 /nfs/dbraw/zinc/37/41/30/632374130.db2.gz RCAJEJYUBZFKSK-APPZFPTMSA-N 1 1 271.342 0.184 10 0 CCAEMO C[C@H]1C[N@H+](C)C[C@@H](C(=O)Nc2cnc3nccn3c2)O1 ZINC000912836970 636690580 /nfs/dbraw/zinc/69/05/80/636690580.db2.gz JYEVEEHDBWLOSF-ONGXEEELSA-N 1 1 275.312 0.387 10 0 CCAEMO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)Nc2cnc3nccn3c2)O1 ZINC000912836970 636690583 /nfs/dbraw/zinc/69/05/83/636690583.db2.gz JYEVEEHDBWLOSF-ONGXEEELSA-N 1 1 275.312 0.387 10 0 CCAEMO Cc1cc2c(nc(N3CCCC3)[nH+]c2NCC(N)=O)[nH]1 ZINC000223932193 636912726 /nfs/dbraw/zinc/91/27/26/636912726.db2.gz DBJRRGOSTKKPNT-UHFFFAOYSA-N 1 1 274.328 0.764 10 0 CCAEMO COC(=O)[C@@H]1C[N@H+](CC(=O)NCc2ccco2)C[C@@H]1C ZINC000227752055 637035010 /nfs/dbraw/zinc/03/50/10/637035010.db2.gz MHZKECNAZXSTHC-CMPLNLGQSA-N 1 1 280.324 0.637 10 0 CCAEMO COC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2ccco2)C[C@@H]1C ZINC000227752055 637035017 /nfs/dbraw/zinc/03/50/17/637035017.db2.gz MHZKECNAZXSTHC-CMPLNLGQSA-N 1 1 280.324 0.637 10 0 CCAEMO CC[C@@H]1CN(C(=O)C2=COCCO2)CC[N@H+]1C[C@@H](C)O ZINC000174618850 637270412 /nfs/dbraw/zinc/27/04/12/637270412.db2.gz RKJXIFLTFXNOSQ-VXGBXAGGSA-N 1 1 284.356 0.178 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N1CCO[C@H](C)C1 ZINC000175040049 638194925 /nfs/dbraw/zinc/19/49/25/638194925.db2.gz WTVDOWZSEKHDQU-RBSFLKMASA-N 1 1 295.427 0.792 10 0 CCAEMO COCC[N@H+]1CCN(CC(=O)OCC(C)C)C[C@H]1C ZINC000181451240 638366843 /nfs/dbraw/zinc/36/68/43/638366843.db2.gz KYGVOCGACRLQLX-CYBMUJFWSA-N 1 1 272.389 0.838 10 0 CCAEMO C[C@@H]1CC[NH2+][C@@H](c2nc([C@@H]3CN4CCN3CC4)no2)C1 ZINC000128038826 647115189 /nfs/dbraw/zinc/11/51/89/647115189.db2.gz AZPUPRHGHYCNNN-UTUOFQBUSA-N 1 1 277.372 0.803 10 0 CCAEMO O=C1NCC[C@@H]1[N@@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931119349 648946427 /nfs/dbraw/zinc/94/64/27/648946427.db2.gz FRLVEOLIULMXGE-JQWIXIFHSA-N 1 1 261.329 0.291 10 0 CCAEMO O=C1NCC[C@@H]1[N@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931119349 648946430 /nfs/dbraw/zinc/94/64/30/648946430.db2.gz FRLVEOLIULMXGE-JQWIXIFHSA-N 1 1 261.329 0.291 10 0 CCAEMO CO[C@H]1CC(=O)N(C[NH+]2CCC(Cn3cccn3)CC2)C1 ZINC000189146062 649371272 /nfs/dbraw/zinc/37/12/72/649371272.db2.gz ICFLGITZIHOCGC-AWEZNQCLSA-N 1 1 292.383 0.800 10 0 CCAEMO C[N@H+](C[C@@H]1CCOC1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246371302 649671638 /nfs/dbraw/zinc/67/16/38/649671638.db2.gz NWVUPPLJIFRWGD-YNEHKIRRSA-N 1 1 278.352 0.863 10 0 CCAEMO C[N@@H+](C[C@@H]1CCOC1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000246371302 649671641 /nfs/dbraw/zinc/67/16/41/649671641.db2.gz NWVUPPLJIFRWGD-YNEHKIRRSA-N 1 1 278.352 0.863 10 0 CCAEMO CCN1C(=O)CN(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1=O ZINC000247007650 649698935 /nfs/dbraw/zinc/69/89/35/649698935.db2.gz IWTZOAZDQAAYAI-NEPJUHHUSA-N 1 1 280.372 0.397 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)NOC[C@H]2CCOC2)C1 ZINC000248781507 649737457 /nfs/dbraw/zinc/73/74/57/649737457.db2.gz QHAQQNDKSVWKGI-RYUDHWBXSA-N 1 1 271.361 0.738 10 0 CCAEMO Cc1n[nH]cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000252673196 649831638 /nfs/dbraw/zinc/83/16/38/649831638.db2.gz HGOCREGWKOVBJH-KOLCDFICSA-N 1 1 284.385 0.575 10 0 CCAEMO C[N@@H+](CCOCC[NH3+])Cc1ccc(C(=O)[O-])cc1 ZINC000699285241 976913323 /nfs/dbraw/zinc/91/33/23/976913323.db2.gz OHQHJOUXLXWNRH-UHFFFAOYSA-N 1 1 252.314 0.792 10 0 CCAEMO Cc1[nH]ncc1CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091544277 349466199 /nfs/dbraw/zinc/46/61/99/349466199.db2.gz LZVDEDLBBMNYMX-ZYHUDNBSSA-N 1 1 250.346 0.894 10 0 CCAEMO C[C@@H](c1ccccn1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000095068094 349585430 /nfs/dbraw/zinc/58/54/30/349585430.db2.gz LZZJZIPALAEZBY-JTQLQIEISA-N 1 1 255.343 0.378 10 0 CCAEMO CC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105817815 349725029 /nfs/dbraw/zinc/72/50/29/349725029.db2.gz WFYBTNMHUSDAPF-AWEZNQCLSA-N 1 1 269.389 0.260 10 0 CCAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3CC3)CC2)C1 ZINC000105817893 349725678 /nfs/dbraw/zinc/72/56/78/349725678.db2.gz WUCNOHJLIYFONQ-HNNXBMFYSA-N 1 1 295.427 0.650 10 0 CCAEMO CCOc1ccnc(N2CC[NH+](CCC(=O)OC)CC2)n1 ZINC000105917267 349728896 /nfs/dbraw/zinc/72/88/96/349728896.db2.gz VKMKPJSQLJYARI-UHFFFAOYSA-N 1 1 294.355 0.560 10 0 CCAEMO C[N@@H+](CCCNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 ZINC000110347358 349758373 /nfs/dbraw/zinc/75/83/73/349758373.db2.gz OXLJPMJFQYBYGM-AWEZNQCLSA-N 1 1 289.379 0.761 10 0 CCAEMO CC1(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)COC1 ZINC000112753466 349791986 /nfs/dbraw/zinc/79/19/86/349791986.db2.gz KZYFOZPWKDKKKD-LBPRGKRZSA-N 1 1 267.373 0.903 10 0 CCAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC(=O)N(C)C ZINC000175595414 282211874 /nfs/dbraw/zinc/21/18/74/282211874.db2.gz IRIZIYLPLBJGNY-LBPRGKRZSA-N 1 1 293.371 0.454 10 0 CCAEMO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(=O)[nH]1 ZINC000113224371 349804475 /nfs/dbraw/zinc/80/44/75/349804475.db2.gz AMYFYOQAHFJNDE-RYUDHWBXSA-N 1 1 275.352 0.992 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC1CCOCC1 ZINC000113267746 349807317 /nfs/dbraw/zinc/80/73/17/349807317.db2.gz OTANUDRHAOZBDK-TZMCWYRMSA-N 1 1 281.400 0.450 10 0 CCAEMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135308234 136392149 /nfs/dbraw/zinc/39/21/49/136392149.db2.gz IKOJAMWRHGGTOV-OLZOCXBDSA-N 1 1 289.383 0.656 10 0 CCAEMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000113517025 349815459 /nfs/dbraw/zinc/81/54/59/349815459.db2.gz SUWWPWUUMJSIMD-WOPDTQHZSA-N 1 1 295.445 0.916 10 0 CCAEMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC000113517025 349815463 /nfs/dbraw/zinc/81/54/63/349815463.db2.gz SUWWPWUUMJSIMD-WOPDTQHZSA-N 1 1 295.445 0.916 10 0 CCAEMO CC(=O)NCCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113594171 349816206 /nfs/dbraw/zinc/81/62/06/349816206.db2.gz PSJOZSKDJOJDFR-WCQYABFASA-N 1 1 282.388 0.391 10 0 CCAEMO NC(=O)NCCC[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000114183979 349824252 /nfs/dbraw/zinc/82/42/52/349824252.db2.gz VOWGKBHAMWKRCJ-NSHDSACASA-N 1 1 265.313 0.506 10 0 CCAEMO CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC000114873286 349844506 /nfs/dbraw/zinc/84/45/06/349844506.db2.gz KZKORZHKFPYFQR-WDEREUQCSA-N 1 1 277.372 0.366 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2CCOC2)C[C@@H]1C ZINC000117287136 349883559 /nfs/dbraw/zinc/88/35/59/349883559.db2.gz VVPPBFUOAPJIMB-NWDGAFQWSA-N 1 1 256.346 0.202 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2CCOC2)C[C@@H]1C ZINC000117287136 349883561 /nfs/dbraw/zinc/88/35/61/349883561.db2.gz VVPPBFUOAPJIMB-NWDGAFQWSA-N 1 1 256.346 0.202 10 0 CCAEMO CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCN1CCOC ZINC000117305977 349884679 /nfs/dbraw/zinc/88/46/79/349884679.db2.gz IPEHNWLLBFPRKH-CQSZACIVSA-N 1 1 285.432 0.896 10 0 CCAEMO CCO[C@H](C)C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000117306238 349885129 /nfs/dbraw/zinc/88/51/29/349885129.db2.gz OLSMSXARPUUKNE-OLZOCXBDSA-N 1 1 272.389 0.981 10 0 CCAEMO CCO[C@H](C)C(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000117306238 349885135 /nfs/dbraw/zinc/88/51/35/349885135.db2.gz OLSMSXARPUUKNE-OLZOCXBDSA-N 1 1 272.389 0.981 10 0 CCAEMO C[N@@H+](CCCO)C1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000120226233 349974915 /nfs/dbraw/zinc/97/49/15/349974915.db2.gz MFYDJOXLVFZTRP-CQSZACIVSA-N 1 1 283.416 0.434 10 0 CCAEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000128537476 187376175 /nfs/dbraw/zinc/37/61/75/187376175.db2.gz LTJMJIIPHWVYNQ-SECBINFHSA-N 1 1 258.347 0.286 10 0 CCAEMO O=C(CC[N@H+]1CCC[C@H](n2cncn2)C1)N1CCOCC1 ZINC000171705771 136856131 /nfs/dbraw/zinc/85/61/31/136856131.db2.gz DOTKALCCWXYUOJ-ZDUSSCGKSA-N 1 1 293.371 0.164 10 0 CCAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCc1cccnc1 ZINC000246979554 136983576 /nfs/dbraw/zinc/98/35/76/136983576.db2.gz DXHRVOJNJZIMFO-ZFWWWQNUSA-N 1 1 288.395 0.866 10 0 CCAEMO CN1CC[C@H]([N@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)C1=O ZINC000249545592 137000070 /nfs/dbraw/zinc/00/00/70/137000070.db2.gz GEJOQKCWOUMECM-UPJWGTAASA-N 1 1 280.393 0.987 10 0 CCAEMO CC(C)C[C@H](CCO)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000262610092 137047999 /nfs/dbraw/zinc/04/79/99/137047999.db2.gz AQQGJHSQJXXWJF-RYUDHWBXSA-N 1 1 258.362 0.136 10 0 CCAEMO COc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)nn1 ZINC000311078696 137073315 /nfs/dbraw/zinc/07/33/15/137073315.db2.gz FKYDMYIJIAZCAY-WDEREUQCSA-N 1 1 253.302 0.067 10 0 CCAEMO COc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2CO)nn1 ZINC000311078696 137073316 /nfs/dbraw/zinc/07/33/16/137073316.db2.gz FKYDMYIJIAZCAY-WDEREUQCSA-N 1 1 253.302 0.067 10 0 CCAEMO CC(C)(C)OC(=O)CC[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000311922286 137076113 /nfs/dbraw/zinc/07/61/13/137076113.db2.gz DYOSBTLPJHEPBF-CYBMUJFWSA-N 1 1 272.345 0.030 10 0 CCAEMO CO[C@H]1C[C@H](CO)[N@@H+](CCn2nc(C)cc2C)C1 ZINC000344707840 137209232 /nfs/dbraw/zinc/20/92/32/137209232.db2.gz JVORRDRTWLZXOX-OLZOCXBDSA-N 1 1 253.346 0.582 10 0 CCAEMO CN(C)c1nc(N)nc(C[N@@H+]2CCC[C@@H]2CCCO)n1 ZINC000052763095 348514560 /nfs/dbraw/zinc/51/45/60/348514560.db2.gz SCZARZLNNMAADL-SNVBAGLBSA-N 1 1 280.376 0.257 10 0 CCAEMO CN(C)c1nc(N)nc(C[N@H+]2CCC[C@@H]2CCCO)n1 ZINC000052763095 348514564 /nfs/dbraw/zinc/51/45/64/348514564.db2.gz SCZARZLNNMAADL-SNVBAGLBSA-N 1 1 280.376 0.257 10 0 CCAEMO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CCCO ZINC000052762731 348514691 /nfs/dbraw/zinc/51/46/91/348514691.db2.gz JYJPATJATLEBPK-GFCCVEGCSA-N 1 1 285.388 0.849 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](c3nn[nH]n3)C[C@@H]2C1 ZINC000056705146 348593863 /nfs/dbraw/zinc/59/38/63/348593863.db2.gz KPJGJAMQQDPGGT-VHSXEESVSA-N 1 1 294.359 0.608 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](c3nn[nH]n3)C[C@@H]2C1 ZINC000056705146 348593867 /nfs/dbraw/zinc/59/38/67/348593867.db2.gz KPJGJAMQQDPGGT-VHSXEESVSA-N 1 1 294.359 0.608 10 0 CCAEMO C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000077657905 349116216 /nfs/dbraw/zinc/11/62/16/349116216.db2.gz LUHOBTYSWZVCAH-CRWXNKLISA-N 1 1 273.373 0.652 10 0 CCAEMO OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1ncccn1 ZINC000085689359 349334644 /nfs/dbraw/zinc/33/46/44/349334644.db2.gz YDDCIOBUCCKUGN-QWHCGFSZSA-N 1 1 262.357 0.902 10 0 CCAEMO C[C@H]1C(=O)N(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000083976254 349312727 /nfs/dbraw/zinc/31/27/27/349312727.db2.gz QKTUCIYTMLYRHZ-OFTGVCEQSA-N 1 1 298.383 0.098 10 0 CCAEMO C[C@H]1C(=O)N(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)[C@H]1C ZINC000083976254 349312729 /nfs/dbraw/zinc/31/27/29/349312729.db2.gz QKTUCIYTMLYRHZ-OFTGVCEQSA-N 1 1 298.383 0.098 10 0 CCAEMO O=C([C@H]1COCC[NH2+]1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000088370061 349361909 /nfs/dbraw/zinc/36/19/09/349361909.db2.gz BEGYPAZWLOCZAK-RKDXNWHRSA-N 1 1 266.263 0.776 10 0 CCAEMO COCC[N@H+]1CCN(Cc2c(C)nn(C)c2OC)C[C@H]1C ZINC000120825869 350008267 /nfs/dbraw/zinc/00/82/67/350008267.db2.gz KUNFTVXEDOXDIP-GFCCVEGCSA-N 1 1 296.415 0.890 10 0 CCAEMO Cc1n[nH]c(Sc2c(CC[NH3+])c(C)nn2C)n1 ZINC000104439749 186002679 /nfs/dbraw/zinc/00/26/79/186002679.db2.gz ISXDPXUWJQFKIJ-UHFFFAOYSA-N 1 1 252.347 0.807 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1C ZINC000125438971 350122122 /nfs/dbraw/zinc/12/21/22/350122122.db2.gz CRVZPKYUDBQEIC-LBPRGKRZSA-N 1 1 293.367 0.558 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1C ZINC000125438971 350122124 /nfs/dbraw/zinc/12/21/24/350122124.db2.gz CRVZPKYUDBQEIC-LBPRGKRZSA-N 1 1 293.367 0.558 10 0 CCAEMO C[C@H](C[S@](C)=O)[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC000125998252 350135296 /nfs/dbraw/zinc/13/52/96/350135296.db2.gz SDPONJDCAZWPQJ-VGTOOOLASA-N 1 1 265.419 0.861 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCCCNC(=O)C(C)C)C1 ZINC000127105738 350161576 /nfs/dbraw/zinc/16/15/76/350161576.db2.gz NWKDYWUBQQFCTB-CYBMUJFWSA-N 1 1 298.431 0.932 10 0 CCAEMO CCOCCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105074123 186039759 /nfs/dbraw/zinc/03/97/59/186039759.db2.gz USNCLKODPWABJA-UHFFFAOYSA-N 1 1 255.362 0.903 10 0 CCAEMO C[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)[N@@H+](C)C1CC1 ZINC000105124346 186043035 /nfs/dbraw/zinc/04/30/35/186043035.db2.gz BOBMCDYLMCIAGP-OLZOCXBDSA-N 1 1 298.431 0.489 10 0 CCAEMO CN1CCO[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105279202 186049173 /nfs/dbraw/zinc/04/91/73/186049173.db2.gz AFVOBVXSROTRQU-ZIAGYGMSSA-N 1 1 296.415 0.197 10 0 CCAEMO COc1c(CN[C@@H]2CCC[N@H+](C)C2)c(C)nn1C ZINC000134140354 350355968 /nfs/dbraw/zinc/35/59/68/350355968.db2.gz XYWDXNUYDJQBJG-LLVKDONJSA-N 1 1 252.362 0.921 10 0 CCAEMO COc1c(CN[C@@H]2CCC[N@@H+](C)C2)c(C)nn1C ZINC000134140354 350355972 /nfs/dbraw/zinc/35/59/72/350355972.db2.gz XYWDXNUYDJQBJG-LLVKDONJSA-N 1 1 252.362 0.921 10 0 CCAEMO CC[N@@H+]1CCO[C@@H](CNc2nnnn2-c2ccccc2)C1 ZINC000134478610 350365361 /nfs/dbraw/zinc/36/53/61/350365361.db2.gz GFWVZNNWPLCOCS-ZDUSSCGKSA-N 1 1 288.355 0.795 10 0 CCAEMO CC[N@H+]1CCO[C@@H](CNc2nnnn2-c2ccccc2)C1 ZINC000134478610 350365363 /nfs/dbraw/zinc/36/53/63/350365363.db2.gz GFWVZNNWPLCOCS-ZDUSSCGKSA-N 1 1 288.355 0.795 10 0 CCAEMO CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000135123731 350385907 /nfs/dbraw/zinc/38/59/07/350385907.db2.gz ROAGYDHWIJNWMK-CHWSQXEVSA-N 1 1 296.415 0.781 10 0 CCAEMO C[C@@H](C(N)=O)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806073 186072869 /nfs/dbraw/zinc/07/28/69/186072869.db2.gz ANAHVTWMQGYSSZ-JTQLQIEISA-N 1 1 263.345 0.251 10 0 CCAEMO CCOCC[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135706225 350407510 /nfs/dbraw/zinc/40/75/10/350407510.db2.gz BJSHNYAXRXYNFP-GFCCVEGCSA-N 1 1 276.402 0.523 10 0 CCAEMO CCOCC[N@H+]1CCN(CC(=O)NC(C)C)C[C@@H]1CC ZINC000105837564 186076420 /nfs/dbraw/zinc/07/64/20/186076420.db2.gz UKFLNCRTCPZEJW-AWEZNQCLSA-N 1 1 285.432 0.944 10 0 CCAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)N(C)C)C[C@@H]1CC ZINC000105915046 186089703 /nfs/dbraw/zinc/08/97/03/186089703.db2.gz AZNPUFWGFZVJMI-KBPBESRZSA-N 1 1 285.432 0.896 10 0 CCAEMO C[N@@H+](CC(N)=O)C1CCN(c2ccccc2N)CC1 ZINC000141509280 350454448 /nfs/dbraw/zinc/45/44/48/350454448.db2.gz UNCUKURWGJPOCP-UHFFFAOYSA-N 1 1 262.357 0.655 10 0 CCAEMO CCCNC(=O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106901634 186149143 /nfs/dbraw/zinc/14/91/43/186149143.db2.gz UIPZZHPYIYJXQR-CQSZACIVSA-N 1 1 291.395 0.802 10 0 CCAEMO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1=O ZINC000106788203 186135880 /nfs/dbraw/zinc/13/58/80/186135880.db2.gz XAYIKXYSUYMREK-QWHCGFSZSA-N 1 1 293.411 0.988 10 0 CCAEMO Cn1ncnc1NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000151022833 350489326 /nfs/dbraw/zinc/48/93/26/350489326.db2.gz YHMZQPBRUGJAOV-LBPRGKRZSA-N 1 1 273.340 0.927 10 0 CCAEMO CN1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000152492323 350530353 /nfs/dbraw/zinc/53/03/53/350530353.db2.gz FFMFYNLTXFUFBW-KGLIPLIRSA-N 1 1 289.379 0.506 10 0 CCAEMO CN1CC[C@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000152492273 350530876 /nfs/dbraw/zinc/53/08/76/350530876.db2.gz FFMFYNLTXFUFBW-KBPBESRZSA-N 1 1 289.379 0.506 10 0 CCAEMO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153000601 350548725 /nfs/dbraw/zinc/54/87/25/350548725.db2.gz MVVQKFVOSULAIG-NEPJUHHUSA-N 1 1 283.372 0.723 10 0 CCAEMO CCOC(=O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000155009715 350607387 /nfs/dbraw/zinc/60/73/87/350607387.db2.gz QJQPPJDFIYYFCA-CYBMUJFWSA-N 1 1 298.383 0.651 10 0 CCAEMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000110345579 186293401 /nfs/dbraw/zinc/29/34/01/186293401.db2.gz WOPHEWBXRMATMN-ZIAGYGMSSA-N 1 1 287.363 0.513 10 0 CCAEMO CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000156623442 350632170 /nfs/dbraw/zinc/63/21/70/350632170.db2.gz VCGHUFLJQRLMHU-WDEREUQCSA-N 1 1 268.361 0.001 10 0 CCAEMO CC(CO)(CO)Nc1cc[nH+]cc1Br ZINC000159869399 350691537 /nfs/dbraw/zinc/69/15/37/350691537.db2.gz IEWYVALNMUXWCF-UHFFFAOYSA-N 1 1 261.119 0.999 10 0 CCAEMO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000162823795 350754906 /nfs/dbraw/zinc/75/49/06/350754906.db2.gz PLSBAOKMDREXOK-AVGNSLFASA-N 1 1 270.373 0.542 10 0 CCAEMO COC(=O)[C@@H]1CCC[N@H+](CCCCS(C)(=O)=O)C1 ZINC000162367327 350742484 /nfs/dbraw/zinc/74/24/84/350742484.db2.gz HJOGPXHEPMXXIY-LLVKDONJSA-N 1 1 277.386 0.696 10 0 CCAEMO COC(=O)[C@@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1 ZINC000162367327 350742487 /nfs/dbraw/zinc/74/24/87/350742487.db2.gz HJOGPXHEPMXXIY-LLVKDONJSA-N 1 1 277.386 0.696 10 0 CCAEMO CC[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CCN1CCOC ZINC000168064065 350819588 /nfs/dbraw/zinc/81/95/88/350819588.db2.gz CLNRBFGBYWIQCT-HNNXBMFYSA-N 1 1 297.443 0.945 10 0 CCAEMO CC(=O)N[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000171585488 350918433 /nfs/dbraw/zinc/91/84/33/350918433.db2.gz NSUYJQVYIYYMNC-HUUCEWRRSA-N 1 1 293.411 0.988 10 0 CCAEMO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)NC[C@@H]1CCCO1 ZINC000171635562 350923152 /nfs/dbraw/zinc/92/31/52/350923152.db2.gz RHYHCPISZRVESK-STQMWFEESA-N 1 1 293.371 0.210 10 0 CCAEMO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)NC[C@@H]1CCCO1 ZINC000171635562 350923153 /nfs/dbraw/zinc/92/31/53/350923153.db2.gz RHYHCPISZRVESK-STQMWFEESA-N 1 1 293.371 0.210 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)C(C)(C)OC)C[C@H]1C ZINC000172222617 350967565 /nfs/dbraw/zinc/96/75/65/350967565.db2.gz SQHLWKGLJHSEFA-LLVKDONJSA-N 1 1 258.362 0.591 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)C(C)(C)OC)C[C@H]1C ZINC000172222617 350967569 /nfs/dbraw/zinc/96/75/69/350967569.db2.gz SQHLWKGLJHSEFA-LLVKDONJSA-N 1 1 258.362 0.591 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)c2c[nH]nc2C)C[C@@H]1C ZINC000172225543 350968610 /nfs/dbraw/zinc/96/86/10/350968610.db2.gz PUJFWRZWHWQGHR-JTQLQIEISA-N 1 1 266.345 0.511 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)c2c[nH]nc2C)C[C@@H]1C ZINC000172225543 350968615 /nfs/dbraw/zinc/96/86/15/350968615.db2.gz PUJFWRZWHWQGHR-JTQLQIEISA-N 1 1 266.345 0.511 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)NCCn2cccn2)C[C@@H]1C ZINC000172337844 350977600 /nfs/dbraw/zinc/97/76/00/350977600.db2.gz NFWRHOIVFZYWCY-ZDUSSCGKSA-N 1 1 295.387 0.245 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)NCCn2cccn2)C[C@@H]1C ZINC000172337844 350977602 /nfs/dbraw/zinc/97/76/02/350977602.db2.gz NFWRHOIVFZYWCY-ZDUSSCGKSA-N 1 1 295.387 0.245 10 0 CCAEMO COCCOCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171902185 350942713 /nfs/dbraw/zinc/94/27/13/350942713.db2.gz HYNZSANJRMJLCE-LBPRGKRZSA-N 1 1 271.361 0.139 10 0 CCAEMO Cc1ccc(N2CCC(NS(=O)(=O)N(C)C)CC2)[nH+]c1 ZINC000173211570 351030474 /nfs/dbraw/zinc/03/04/74/351030474.db2.gz CCFYHWGKJOKOKE-UHFFFAOYSA-N 1 1 298.412 0.755 10 0 CCAEMO CCNS(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000173358579 351036630 /nfs/dbraw/zinc/03/66/30/351036630.db2.gz MCVMEDLTLUJUJC-LLVKDONJSA-N 1 1 272.374 0.510 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCN1C(=O)CNC1=O ZINC000175043812 351116207 /nfs/dbraw/zinc/11/62/07/351116207.db2.gz JMAQROLQMZODLY-QWHCGFSZSA-N 1 1 294.399 0.487 10 0 CCAEMO Cc1nn(C)cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174347304 351080604 /nfs/dbraw/zinc/08/06/04/351080604.db2.gz XIBGHXCXGZHDLP-GHMZBOCLSA-N 1 1 280.372 0.256 10 0 CCAEMO Cc1nn(C)cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174347304 351080608 /nfs/dbraw/zinc/08/06/08/351080608.db2.gz XIBGHXCXGZHDLP-GHMZBOCLSA-N 1 1 280.372 0.256 10 0 CCAEMO CC[C@@H]1CN(C(=O)c2cccn2C)CC[N@H+]1C[C@@H](C)O ZINC000174613927 351094997 /nfs/dbraw/zinc/09/49/97/351094997.db2.gz IJBROASIMPUSAU-CHWSQXEVSA-N 1 1 279.384 0.942 10 0 CCAEMO Cc1nc(CN2CCC[N@@H+](Cc3cncn3C)CC2)no1 ZINC000177056261 351192319 /nfs/dbraw/zinc/19/23/19/351192319.db2.gz YHURTGQONJTGEO-UHFFFAOYSA-N 1 1 290.371 0.819 10 0 CCAEMO Cc1nc(CN2CCC[N@H+](Cc3cncn3C)CC2)no1 ZINC000177056261 351192322 /nfs/dbraw/zinc/19/23/22/351192322.db2.gz YHURTGQONJTGEO-UHFFFAOYSA-N 1 1 290.371 0.819 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1COCCO1 ZINC000176980349 351190061 /nfs/dbraw/zinc/19/00/61/351190061.db2.gz XUIFIWUKTSYULN-NEPJUHHUSA-N 1 1 256.346 0.345 10 0 CCAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)CN1CCCC1=O ZINC000175593236 351135431 /nfs/dbraw/zinc/13/54/31/351135431.db2.gz MVONFLFSFHZKER-QLFBSQMISA-N 1 1 295.427 0.528 10 0 CCAEMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC000175593236 351135433 /nfs/dbraw/zinc/13/54/33/351135433.db2.gz MVONFLFSFHZKER-QLFBSQMISA-N 1 1 295.427 0.528 10 0 CCAEMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CN1CCCC1=O ZINC000175593236 351135436 /nfs/dbraw/zinc/13/54/36/351135436.db2.gz MVONFLFSFHZKER-QLFBSQMISA-N 1 1 295.427 0.528 10 0 CCAEMO COCCOCC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000175652175 351138329 /nfs/dbraw/zinc/13/83/29/351138329.db2.gz YIGOSWAOTZSCOD-CQSZACIVSA-N 1 1 283.372 0.555 10 0 CCAEMO COCCOCC[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000175652175 351138333 /nfs/dbraw/zinc/13/83/33/351138333.db2.gz YIGOSWAOTZSCOD-CQSZACIVSA-N 1 1 283.372 0.555 10 0 CCAEMO COCCOCC[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000175652381 351138621 /nfs/dbraw/zinc/13/86/21/351138621.db2.gz FETMREYCJUVTRV-OAHLLOKOSA-N 1 1 297.399 0.864 10 0 CCAEMO COCCOCC[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000175652381 351138623 /nfs/dbraw/zinc/13/86/23/351138623.db2.gz FETMREYCJUVTRV-OAHLLOKOSA-N 1 1 297.399 0.864 10 0 CCAEMO COCCCCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175672495 351138687 /nfs/dbraw/zinc/13/86/87/351138687.db2.gz WWAAUUGZWXVOLC-ZIAGYGMSSA-N 1 1 299.415 0.775 10 0 CCAEMO CCNS(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000178379037 351230061 /nfs/dbraw/zinc/23/00/61/351230061.db2.gz IIISAZZWMUNOIZ-NSHDSACASA-N 1 1 286.401 0.529 10 0 CCAEMO COCCc1noc(CN2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000177775200 351212493 /nfs/dbraw/zinc/21/24/93/351212493.db2.gz LTFRSLYHISKBDU-GFCCVEGCSA-N 1 1 280.372 0.929 10 0 CCAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000178335243 351228544 /nfs/dbraw/zinc/22/85/44/351228544.db2.gz ZYJFBMGOWPYXRF-GJZGRUSLSA-N 1 1 289.383 0.914 10 0 CCAEMO CSCCC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181368067 351315034 /nfs/dbraw/zinc/31/50/34/351315034.db2.gz UMQYQGONTAHOQK-LLVKDONJSA-N 1 1 268.386 0.646 10 0 CCAEMO C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000181386061 351316346 /nfs/dbraw/zinc/31/63/46/351316346.db2.gz AICDWGZVPRSUEP-GXFFZTMASA-N 1 1 262.357 0.939 10 0 CCAEMO 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10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328941935 202123332 /nfs/dbraw/zinc/12/33/32/202123332.db2.gz FLIRDSFJXRQNRM-NEPJUHHUSA-N 1 1 291.399 0.852 10 0 CCAEMO COC[C@H](C)OC[C@@H](O)C[NH+]1CC(n2cccn2)C1 ZINC000365732207 357167716 /nfs/dbraw/zinc/16/77/16/357167716.db2.gz FDIUGHSKKVLLBQ-AAEUAGOBSA-N 1 1 269.345 0.152 10 0 CCAEMO OC[C@@]1(F)CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000376184830 357442053 /nfs/dbraw/zinc/44/20/53/357442053.db2.gz PDOYODZSDCDYDR-CQSZACIVSA-N 1 1 296.346 0.614 10 0 CCAEMO CN(C)c1nc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc(=O)[nH]1 ZINC000407985698 357851493 /nfs/dbraw/zinc/85/14/93/357851493.db2.gz IQEDXMRAMKLUOB-SNVBAGLBSA-N 1 1 291.355 0.168 10 0 CCAEMO C[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)[C@H]1CO ZINC000407949166 357832772 /nfs/dbraw/zinc/83/27/72/357832772.db2.gz NCZQNVOOVSNTSI-NEPJUHHUSA-N 1 1 276.402 0.115 10 0 CCAEMO CCN(CC)S(=O)(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000408027494 357874760 /nfs/dbraw/zinc/87/47/60/357874760.db2.gz NZBBWZQCIWLXAC-RYUDHWBXSA-N 1 1 293.433 0.224 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[C@@H](C)O)[N@@H+](C)C1 ZINC000408043289 357883590 /nfs/dbraw/zinc/88/35/90/357883590.db2.gz PFIQNNWYDXTJRZ-VOAKCMCISA-N 1 1 270.373 0.467 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCO[C@@H](C)C2)[N@H+](C)C1 ZINC000408044055 357884784 /nfs/dbraw/zinc/88/47/84/357884784.db2.gz MJVDSYGZEPZXEU-RNJOBUHISA-N 1 1 270.373 0.637 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCO[C@@H](C)C2)[N@@H+](C)C1 ZINC000408044055 357884786 /nfs/dbraw/zinc/88/47/86/357884786.db2.gz MJVDSYGZEPZXEU-RNJOBUHISA-N 1 1 270.373 0.637 10 0 CCAEMO CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C)CC[N@H+]1C[C@H](C)O ZINC000408084188 357911327 /nfs/dbraw/zinc/91/13/27/357911327.db2.gz NKQTUQNJDZERCU-REWJHTLYSA-N 1 1 284.400 0.715 10 0 CCAEMO CS(=O)(=O)c1ccc(N2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000408100547 357919959 /nfs/dbraw/zinc/91/99/59/357919959.db2.gz BGHDDFURBUKWFB-NSHDSACASA-N 1 1 281.381 0.770 10 0 CCAEMO COCc1ncc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(N)n1 ZINC000408154427 357943891 /nfs/dbraw/zinc/94/38/91/357943891.db2.gz KFMWNPOFDXTVFT-UWVGGRQHSA-N 1 1 293.371 0.200 10 0 CCAEMO COCc1ncc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(N)n1 ZINC000408154427 357943892 /nfs/dbraw/zinc/94/38/92/357943892.db2.gz KFMWNPOFDXTVFT-UWVGGRQHSA-N 1 1 293.371 0.200 10 0 CCAEMO CC[C@@H]1CN(C(=O)C2(O)CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000408188417 357959295 /nfs/dbraw/zinc/95/92/95/357959295.db2.gz GFZQMAOGDWTBFZ-CHWSQXEVSA-N 1 1 284.400 0.595 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2(C)CCOC2)C[C@@H]1C ZINC000408196331 357964293 /nfs/dbraw/zinc/96/42/93/357964293.db2.gz BKWNWXJMRKTKLA-SGMGOOAPSA-N 1 1 270.373 0.327 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2(C)CCOC2)C[C@@H]1C ZINC000408196331 357964295 /nfs/dbraw/zinc/96/42/95/357964295.db2.gz BKWNWXJMRKTKLA-SGMGOOAPSA-N 1 1 270.373 0.327 10 0 CCAEMO CCCNS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408234165 357985598 /nfs/dbraw/zinc/98/55/98/357985598.db2.gz ZTSZTKKVFJAPFT-NSHDSACASA-N 1 1 261.391 0.401 10 0 CCAEMO CCCNS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000408234165 357985601 /nfs/dbraw/zinc/98/56/01/357985601.db2.gz ZTSZTKKVFJAPFT-NSHDSACASA-N 1 1 261.391 0.401 10 0 CCAEMO COCc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)no1 ZINC000408245133 357990338 /nfs/dbraw/zinc/99/03/38/357990338.db2.gz SXQDIKIKLOCLMC-VIFPVBQESA-N 1 1 253.302 0.597 10 0 CCAEMO COCc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)no1 ZINC000408245133 357990339 /nfs/dbraw/zinc/99/03/39/357990339.db2.gz SXQDIKIKLOCLMC-VIFPVBQESA-N 1 1 253.302 0.597 10 0 CCAEMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000408258632 357996022 /nfs/dbraw/zinc/99/60/22/357996022.db2.gz ZDGAGNHQWNKZNJ-QWHCGFSZSA-N 1 1 296.415 0.781 10 0 CCAEMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000408258632 357996027 /nfs/dbraw/zinc/99/60/27/357996027.db2.gz ZDGAGNHQWNKZNJ-QWHCGFSZSA-N 1 1 296.415 0.781 10 0 CCAEMO CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000408272672 358002531 /nfs/dbraw/zinc/00/25/31/358002531.db2.gz HJWJPLCGGIKUDS-RDBSUJKOSA-N 1 1 284.400 0.717 10 0 CCAEMO CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000408272672 358002534 /nfs/dbraw/zinc/00/25/34/358002534.db2.gz HJWJPLCGGIKUDS-RDBSUJKOSA-N 1 1 284.400 0.717 10 0 CCAEMO C[C@H](NC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]21)C(=O)N(C)C ZINC000408290626 358013186 /nfs/dbraw/zinc/01/31/86/358013186.db2.gz KNIDEMQCGLEDIW-AXFHLTTASA-N 1 1 253.346 0.064 10 0 CCAEMO C[C@H](NC(=O)C[N@H+]1C[C@H]2CCC[C@@H]21)C(=O)N(C)C ZINC000408290626 358013189 /nfs/dbraw/zinc/01/31/89/358013189.db2.gz KNIDEMQCGLEDIW-AXFHLTTASA-N 1 1 253.346 0.064 10 0 CCAEMO CC(C)[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000408400725 358073643 /nfs/dbraw/zinc/07/36/43/358073643.db2.gz WNRQITNESIQMDJ-MELADBBJSA-N 1 1 284.400 0.573 10 0 CCAEMO CC[C@H]1CC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408380799 358064225 /nfs/dbraw/zinc/06/42/25/358064225.db2.gz CSZQQPIXFBEAIH-QWRGUYRKSA-N 1 1 253.346 0.195 10 0 CCAEMO C[C@@H]1C[N@@H+](C)CCN1c1cncc(-n2cccn2)n1 ZINC000408433569 358091636 /nfs/dbraw/zinc/09/16/36/358091636.db2.gz MPWSWYYDRSJTHW-LLVKDONJSA-N 1 1 258.329 0.803 10 0 CCAEMO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CNC(=O)C1 ZINC000620769233 366565110 /nfs/dbraw/zinc/56/51/10/366565110.db2.gz HBHGZOVNPFFJIT-KBPBESRZSA-N 1 1 287.363 0.513 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)c(C)n[nH]c1=O ZINC000176973936 189017811 /nfs/dbraw/zinc/01/78/11/189017811.db2.gz NQYYHAZDKIJZHX-LBPRGKRZSA-N 1 1 292.383 0.943 10 0 CCAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC000177146795 189031964 /nfs/dbraw/zinc/03/19/64/189031964.db2.gz NBGIXMATIIBHQM-VXGBXAGGSA-N 1 1 276.340 0.461 10 0 CCAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCn1ccnn1 ZINC000177216709 189037373 /nfs/dbraw/zinc/03/73/73/189037373.db2.gz ZCFQJYNWROAYTG-CYBMUJFWSA-N 1 1 288.355 0.864 10 0 CCAEMO COC(=O)c1cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cs1 ZINC000595402513 360520814 /nfs/dbraw/zinc/52/08/14/360520814.db2.gz BKNWRUPSUTUDTH-NXEZZACHSA-N 1 1 271.338 0.462 10 0 CCAEMO COC(=O)c1cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cs1 ZINC000595402513 360520818 /nfs/dbraw/zinc/52/08/18/360520818.db2.gz BKNWRUPSUTUDTH-NXEZZACHSA-N 1 1 271.338 0.462 10 0 CCAEMO Cc1cc(NC(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)n(C)n1 ZINC000177771236 189068277 /nfs/dbraw/zinc/06/82/77/189068277.db2.gz ZQRFOMWRVCSUIY-CYBMUJFWSA-N 1 1 291.399 0.837 10 0 CCAEMO CC(C)N(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO)c1ccccc1 ZINC000179181649 189175594 /nfs/dbraw/zinc/17/55/94/189175594.db2.gz ISUYAISIIMXFMS-HUUCEWRRSA-N 1 1 292.379 0.856 10 0 CCAEMO CC(C)N(C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO)c1ccccc1 ZINC000179181649 189175595 /nfs/dbraw/zinc/17/55/95/189175595.db2.gz ISUYAISIIMXFMS-HUUCEWRRSA-N 1 1 292.379 0.856 10 0 CCAEMO COC(=O)[C@H](C1CC1)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000611661033 363756486 /nfs/dbraw/zinc/75/64/86/363756486.db2.gz YMWSNVQOTZHQDQ-RYUDHWBXSA-N 1 1 256.346 0.200 10 0 CCAEMO COC(=O)[C@H](C1CC1)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000611661033 363756491 /nfs/dbraw/zinc/75/64/91/363756491.db2.gz YMWSNVQOTZHQDQ-RYUDHWBXSA-N 1 1 256.346 0.200 10 0 CCAEMO CCc1nsc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000301543102 201057945 /nfs/dbraw/zinc/05/79/45/201057945.db2.gz VXSZCFAXOLSKER-ZJUUUORDSA-N 1 1 270.402 0.992 10 0 CCAEMO CCc1nsc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000301543102 201057949 /nfs/dbraw/zinc/05/79/49/201057949.db2.gz VXSZCFAXOLSKER-ZJUUUORDSA-N 1 1 270.402 0.992 10 0 CCAEMO CCc1nsc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000301633324 201107733 /nfs/dbraw/zinc/10/77/33/201107733.db2.gz DHUKLPWOYHINPA-DTWKUNHWSA-N 1 1 254.359 0.620 10 0 CCAEMO C[N@H+]1CCO[C@H]2CN(c3nc(C4CC4)ns3)C[C@H]21 ZINC000301646929 201114788 /nfs/dbraw/zinc/11/47/88/201114788.db2.gz IHLJZXQMFNTASM-ZJUUUORDSA-N 1 1 266.370 0.935 10 0 CCAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330246128 202668361 /nfs/dbraw/zinc/66/83/61/202668361.db2.gz LBOJGNZVICGUOM-GJZGRUSLSA-N 1 1 296.411 0.718 10 0 CCAEMO CCOC(=O)c1ccc([C@H]2C[N@H+](CCO)CCN2)cc1 ZINC000616631783 365391590 /nfs/dbraw/zinc/39/15/90/365391590.db2.gz CMDYROXUGILGSO-CQSZACIVSA-N 1 1 278.352 0.802 10 0 CCAEMO CCOC(=O)c1ccc([C@H]2C[N@@H+](CCO)CCN2)cc1 ZINC000616631783 365391594 /nfs/dbraw/zinc/39/15/94/365391594.db2.gz CMDYROXUGILGSO-CQSZACIVSA-N 1 1 278.352 0.802 10 0 CCAEMO OCCc1cccc([C@@H]2COCCC[N@@H+]2CCO)c1 ZINC000616645616 365403536 /nfs/dbraw/zinc/40/35/36/365403536.db2.gz PKGNYQKIBUQOER-HNNXBMFYSA-N 1 1 265.353 0.977 10 0 CCAEMO OCC[N@H+]1CCOCC[C@@H]1c1ccc(CO)cc1 ZINC000616599892 365380792 /nfs/dbraw/zinc/38/07/92/365380792.db2.gz YPIAOAFADHRFEY-CQSZACIVSA-N 1 1 251.326 0.935 10 0 CCAEMO COC(=O)[C@H](C)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245444031 284261638 /nfs/dbraw/zinc/26/16/38/284261638.db2.gz XRJPBHLTWUIKHI-UONOGXRCSA-N 1 1 283.416 0.650 10 0 CCAEMO CS(=O)(=O)NCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337317362 214002343 /nfs/dbraw/zinc/00/23/43/214002343.db2.gz YVOMWKMSBFWPOJ-YNEHKIRRSA-N 1 1 290.429 0.551 10 0 CCAEMO 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CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246625070 280024438 /nfs/dbraw/zinc/02/44/38/280024438.db2.gz KDANZYZUIXYPMR-RYUDHWBXSA-N 1 1 276.402 0.427 10 0 CCAEMO CC[C@@H](C(=O)OC)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171631247 280087348 /nfs/dbraw/zinc/08/73/48/280087348.db2.gz MSHZPXYIVKWPPC-OCCSQVGLSA-N 1 1 286.416 0.963 10 0 CCAEMO O=C([C@@H]1CCNC(=O)C1)N1CCC[N@H+](C2CC2)CC1 ZINC000178079609 280094775 /nfs/dbraw/zinc/09/47/75/280094775.db2.gz PCOYXFGDQICBMD-LLVKDONJSA-N 1 1 265.357 0.209 10 0 CCAEMO C[NH+]1CCN(C(=O)CN2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000245687587 290011834 /nfs/dbraw/zinc/01/18/34/290011834.db2.gz VJBHNMYMSOHSNE-ZIAGYGMSSA-N 1 1 281.400 0.404 10 0 CCAEMO CN1CC[C@H](NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1=O ZINC000247424534 290205218 /nfs/dbraw/zinc/20/52/18/290205218.db2.gz VIWYRIFVJQGXMC-RYUDHWBXSA-N 1 1 280.372 0.097 10 0 CCAEMO C[N@@H+]1C[C@H]2CN([C@H](C(N)=O)c3ccccc3)C[C@H]2C1 ZINC000193618817 290289098 /nfs/dbraw/zinc/28/90/98/290289098.db2.gz YDVMVIJIMDYQGQ-MJBXVCDLSA-N 1 1 259.353 0.706 10 0 CCAEMO CC(C)n1ncnc1CN[C@@H]1CCC[N@@H+](CCO)C1 ZINC000384410029 545085226 /nfs/dbraw/zinc/08/52/26/545085226.db2.gz WJIQUNUCLYYQSC-GFCCVEGCSA-N 1 1 267.377 0.405 10 0 CCAEMO CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000384410029 545085227 /nfs/dbraw/zinc/08/52/27/545085227.db2.gz WJIQUNUCLYYQSC-GFCCVEGCSA-N 1 1 267.377 0.405 10 0 CCAEMO O=C1C[C@H](C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CN1 ZINC000400157207 545089467 /nfs/dbraw/zinc/08/94/67/545089467.db2.gz HTVAZPSCXSYZBO-OBJOEFQTSA-N 1 1 252.358 0.750 10 0 CCAEMO C[C@@]1(C(=O)NC[C@H]2CN3CCN2CCC3)CCCC[NH2+]1 ZINC000394377366 545088059 /nfs/dbraw/zinc/08/80/59/545088059.db2.gz CPFQCGXDMICVHF-ZFWWWQNUSA-N 1 1 280.416 0.025 10 0 CCAEMO C[C@H]1C[N@H+](CCN2CCCS2(=O)=O)CCS1 ZINC000334259164 300258694 /nfs/dbraw/zinc/25/86/94/300258694.db2.gz PZTDXHGJNKOHGR-JTQLQIEISA-N 1 1 264.416 0.459 10 0 CCAEMO C[C@H]1C[N@@H+](CCN2CCCS2(=O)=O)CCS1 ZINC000334259164 300258698 /nfs/dbraw/zinc/25/86/98/300258698.db2.gz PZTDXHGJNKOHGR-JTQLQIEISA-N 1 1 264.416 0.459 10 0 CCAEMO CCCCOC[C@@H](O)C[NH2+]Cc1cn(CC)nn1 ZINC000404487024 545091466 /nfs/dbraw/zinc/09/14/66/545091466.db2.gz CWMXUHVWFRIJST-LBPRGKRZSA-N 1 1 256.350 0.565 10 0 CCAEMO NC(=O)C[NH+]1CCC(C(=O)NCC[C@@H]2CCCOC2)CC1 ZINC000534585836 328315196 /nfs/dbraw/zinc/31/51/96/328315196.db2.gz FFGIREJNLKDNDQ-LBPRGKRZSA-N 1 1 297.399 0.117 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@]2(CCO)CCOC2)C1 ZINC000332945168 330118183 /nfs/dbraw/zinc/11/81/83/330118183.db2.gz NFWSXZIQTUKVBS-HIFRSBDPSA-N 1 1 299.415 0.559 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)OC)C[C@H]1C ZINC000172219408 335097960 /nfs/dbraw/zinc/09/79/60/335097960.db2.gz SQLMXSUERJJOIF-VXGBXAGGSA-N 1 1 258.362 0.591 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)OC)C[C@H]1C ZINC000172219408 335097961 /nfs/dbraw/zinc/09/79/61/335097961.db2.gz SQLMXSUERJJOIF-VXGBXAGGSA-N 1 1 258.362 0.591 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)OC)C[C@@H]1CC ZINC000172299056 335099963 /nfs/dbraw/zinc/09/99/63/335099963.db2.gz FYTUKRZFQKVYFR-OLZOCXBDSA-N 1 1 272.389 0.981 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)OC)C[C@@H]1CC ZINC000172299056 335099965 /nfs/dbraw/zinc/09/99/65/335099965.db2.gz FYTUKRZFQKVYFR-OLZOCXBDSA-N 1 1 272.389 0.981 10 0 CCAEMO [NH3+]CC1(C(=O)N2CCN3CCC2CC3)CCOCC1 ZINC000577953727 335437109 /nfs/dbraw/zinc/43/71/09/335437109.db2.gz HWVAMTJVPBPPLO-UHFFFAOYSA-N 1 1 267.373 0.049 10 0 CCAEMO CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000384849974 336132864 /nfs/dbraw/zinc/13/28/64/336132864.db2.gz BIDHEHXVGJITOS-RYUDHWBXSA-N 1 1 286.372 0.291 10 0 CCAEMO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000384869344 336133390 /nfs/dbraw/zinc/13/33/90/336133390.db2.gz FWGFHVDFWYVRKA-WOPDTQHZSA-N 1 1 256.346 0.127 10 0 CCAEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000384869344 336133392 /nfs/dbraw/zinc/13/33/92/336133392.db2.gz FWGFHVDFWYVRKA-WOPDTQHZSA-N 1 1 256.346 0.127 10 0 CCAEMO CC(C)[NH2+][C@@H](CCN(C)[C@@H]1CCC[N@@H+](C)C1)C(=O)[O-] ZINC000062531761 519733952 /nfs/dbraw/zinc/73/39/52/519733952.db2.gz TWWFRCZJMZCTFC-OLZOCXBDSA-N 1 1 271.405 0.854 10 0 CCAEMO CC[N@@H+](CC[C@H](NC(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000062458774 521158304 /nfs/dbraw/zinc/15/83/04/521158304.db2.gz ANYXLPASRDULRA-STQMWFEESA-N 1 1 271.405 0.729 10 0 CCAEMO CCN(CC[C@H]([NH2+]C(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000062458774 521158311 /nfs/dbraw/zinc/15/83/11/521158311.db2.gz ANYXLPASRDULRA-STQMWFEESA-N 1 1 271.405 0.729 10 0 CCAEMO COCC[C@H]([NH3+])C(=O)N1CCN(CCC(C)C)CC1 ZINC000052809035 521939551 /nfs/dbraw/zinc/93/95/51/521939551.db2.gz YXWPKWVJWUIMBZ-ZDUSSCGKSA-N 1 1 271.405 0.541 10 0 CCAEMO COC(=O)c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184004300 522265138 /nfs/dbraw/zinc/26/51/38/522265138.db2.gz IGKKYGLTQMMNML-VXGBXAGGSA-N 1 1 265.309 0.401 10 0 CCAEMO COC(=O)c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184004300 522265147 /nfs/dbraw/zinc/26/51/47/522265147.db2.gz IGKKYGLTQMMNML-VXGBXAGGSA-N 1 1 265.309 0.401 10 0 CCAEMO C[C@@H]1CN(C2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000246735123 524921856 /nfs/dbraw/zinc/92/18/56/524921856.db2.gz YPNGZBPRAUELAC-ZIAGYGMSSA-N 1 1 295.427 0.840 10 0 CCAEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1F ZINC000184725180 525212727 /nfs/dbraw/zinc/21/27/27/525212727.db2.gz HHOKZWDHXLLDKQ-CYZMBNFOSA-N 1 1 296.342 0.889 10 0 CCAEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@@H]2CO)cc1F ZINC000184725180 525212734 /nfs/dbraw/zinc/21/27/34/525212734.db2.gz HHOKZWDHXLLDKQ-CYZMBNFOSA-N 1 1 296.342 0.889 10 0 CCAEMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184744092 525260809 /nfs/dbraw/zinc/26/08/09/525260809.db2.gz SJRIFDJZVKGHPK-YNEHKIRRSA-N 1 1 278.352 0.750 10 0 CCAEMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184744092 525260817 /nfs/dbraw/zinc/26/08/17/525260817.db2.gz SJRIFDJZVKGHPK-YNEHKIRRSA-N 1 1 278.352 0.750 10 0 CCAEMO Cc1ccnc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000049642360 525696035 /nfs/dbraw/zinc/69/60/35/525696035.db2.gz GOWAWNUATOXZCD-JTQLQIEISA-N 1 1 255.343 0.884 10 0 CCAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(O)c2)C[C@H]1C ZINC000182510868 525792491 /nfs/dbraw/zinc/79/24/91/525792491.db2.gz FKGWZIUJYMAJQG-VXGBXAGGSA-N 1 1 278.352 0.919 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(O)c2)C[C@H]1C ZINC000182510868 525792499 /nfs/dbraw/zinc/79/24/99/525792499.db2.gz FKGWZIUJYMAJQG-VXGBXAGGSA-N 1 1 278.352 0.919 10 0 CCAEMO O=C(CNC(=O)N1CC[NH+](C2CC2)CC1)NCC1CC1 ZINC000183798026 526836281 /nfs/dbraw/zinc/83/62/81/526836281.db2.gz JCTPZAGOXQNDPC-UHFFFAOYSA-N 1 1 280.372 0.002 10 0 CCAEMO O=C1NCCN1CCN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049565543 527070008 /nfs/dbraw/zinc/07/00/08/527070008.db2.gz SWGWDXLRVBHQHJ-NEPJUHHUSA-N 1 1 252.362 0.228 10 0 CCAEMO O=C1NCCN1CC[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000049565543 527070014 /nfs/dbraw/zinc/07/00/14/527070014.db2.gz SWGWDXLRVBHQHJ-NEPJUHHUSA-N 1 1 252.362 0.228 10 0 CCAEMO NC(=S)C[C@H](c1ccccc1)[N@@H+]1CCNC(=O)C1 ZINC000055024527 527108512 /nfs/dbraw/zinc/10/85/12/527108512.db2.gz WEKONMIONXLRKD-LLVKDONJSA-N 1 1 263.366 0.836 10 0 CCAEMO NC(=S)C[C@H](c1ccccc1)[N@H+]1CCNC(=O)C1 ZINC000055024527 527108520 /nfs/dbraw/zinc/10/85/20/527108520.db2.gz WEKONMIONXLRKD-LLVKDONJSA-N 1 1 263.366 0.836 10 0 CCAEMO NNc1ccnc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000051116204 527285381 /nfs/dbraw/zinc/28/53/81/527285381.db2.gz QHIPUVSBVNVLLT-JTQLQIEISA-N 1 1 261.329 0.334 10 0 CCAEMO CCOC(=O)CCCNC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000413119361 528707339 /nfs/dbraw/zinc/70/73/39/528707339.db2.gz NXJDOANKFMLPQY-LLVKDONJSA-N 1 1 271.361 0.723 10 0 CCAEMO COc1cccc(C[NH2+][C@@H]2CCNC2=O)c1OC ZINC000676234974 545337628 /nfs/dbraw/zinc/33/76/28/545337628.db2.gz WTVNESGSQGWNES-SNVBAGLBSA-N 1 1 250.298 0.682 10 0 CCAEMO CN1CCO[C@H](C[N@H+](C)Cc2ccc(CO)o2)C1 ZINC000678257891 545387318 /nfs/dbraw/zinc/38/73/18/545387318.db2.gz UDSBQIXFDINKOP-ZDUSSCGKSA-N 1 1 254.330 0.534 10 0 CCAEMO CN1CCO[C@H](C[N@@H+](C)Cc2ccc(CO)o2)C1 ZINC000678257891 545387319 /nfs/dbraw/zinc/38/73/19/545387319.db2.gz UDSBQIXFDINKOP-ZDUSSCGKSA-N 1 1 254.330 0.534 10 0 CCAEMO C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000304614376 536373260 /nfs/dbraw/zinc/37/32/60/536373260.db2.gz KKTTZPORRCCTLL-UPJWGTAASA-N 1 1 269.389 0.931 10 0 CCAEMO COC(=O)CCc1nc([C@]2([NH3+])COC(C)(C)C2)no1 ZINC000757183618 581697930 /nfs/dbraw/zinc/69/79/30/581697930.db2.gz QQPDXOJIKQLWSR-GFCCVEGCSA-N 1 1 269.301 0.528 10 0 CCAEMO CCCCNC(=S)NC[C@H]1C[N@H+](CC)CCO1 ZINC000134687360 614429447 /nfs/dbraw/zinc/42/94/47/614429447.db2.gz DWLACAYYMFIAGN-NSHDSACASA-N 1 1 259.419 0.971 10 0 CCAEMO CCCCNC(=S)NC[C@H]1C[N@@H+](CC)CCO1 ZINC000134687360 614429450 /nfs/dbraw/zinc/42/94/50/614429450.db2.gz DWLACAYYMFIAGN-NSHDSACASA-N 1 1 259.419 0.971 10 0 CCAEMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(C)n1)C2 ZINC000888097891 614281374 /nfs/dbraw/zinc/28/13/74/614281374.db2.gz SEXNDHUWLRFQFH-KBUPBQIOSA-N 1 1 293.415 0.384 10 0 CCAEMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000111690025 615058962 /nfs/dbraw/zinc/05/89/62/615058962.db2.gz TXNRYUOXWLDXSH-KOLCDFICSA-N 1 1 269.345 0.522 10 0 CCAEMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(C)=O)C1 ZINC000111690025 615058964 /nfs/dbraw/zinc/05/89/64/615058964.db2.gz TXNRYUOXWLDXSH-KOLCDFICSA-N 1 1 269.345 0.522 10 0 CCAEMO CC[N@@H+]1CCO[C@@H](CNC(=S)NCC(C)C)C1 ZINC000134687429 615175320 /nfs/dbraw/zinc/17/53/20/615175320.db2.gz XADJMYYGGRUNIH-NSHDSACASA-N 1 1 259.419 0.827 10 0 CCAEMO CC[N@H+]1CCO[C@@H](CNC(=S)NCC(C)C)C1 ZINC000134687429 615175321 /nfs/dbraw/zinc/17/53/21/615175321.db2.gz XADJMYYGGRUNIH-NSHDSACASA-N 1 1 259.419 0.827 10 0 CCAEMO CCOCCCNC(=S)NC[C@H]1C[N@H+](CC)CCO1 ZINC000134687302 615247130 /nfs/dbraw/zinc/24/71/30/615247130.db2.gz NCAHMNKCAPDAGW-LBPRGKRZSA-N 1 1 289.445 0.598 10 0 CCAEMO CCOCCCNC(=S)NC[C@H]1C[N@@H+](CC)CCO1 ZINC000134687302 615247132 /nfs/dbraw/zinc/24/71/32/615247132.db2.gz 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ZINC000037401727 173178021 /nfs/dbraw/zinc/17/80/21/173178021.db2.gz FNAXNCUIIZNCGE-MRVPVSSYSA-N 1 1 266.301 0.024 10 0 CCAEMO O=C([C@@H]1CSC[NH2+]1)N(C[C@@H]1CCOC1)C1CC1 ZINC000037826319 173782979 /nfs/dbraw/zinc/78/29/79/173782979.db2.gz MGPZLJWDAXDEFO-ONGXEEELSA-N 1 1 256.371 0.676 10 0 CCAEMO COc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC(N)=O)cc1OC ZINC000040491221 174292264 /nfs/dbraw/zinc/29/22/64/174292264.db2.gz CAAVXLUWXPJMHI-WCBMZHEXSA-N 1 1 295.339 0.084 10 0 CCAEMO O=C([C@@H]1COCC[NH2+]1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662952971 414914420 /nfs/dbraw/zinc/91/44/20/414914420.db2.gz IHWZHNNQGTWETG-IUCAKERBSA-N 1 1 282.262 0.155 10 0 CCAEMO [NH3+][C@@H](CN1CC[NH+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000043699927 175097355 /nfs/dbraw/zinc/09/73/55/175097355.db2.gz QWFPORAFXBDIMJ-ZDUSSCGKSA-N 1 1 263.341 0.216 10 0 CCAEMO CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cccc(C)[nH+]1 ZINC000664267610 415318114 /nfs/dbraw/zinc/31/81/14/415318114.db2.gz DKYXBTFYZGNZIA-VHSXEESVSA-N 1 1 256.327 0.614 10 0 CCAEMO CCS(=O)(=O)C1(CN[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000665275362 415584162 /nfs/dbraw/zinc/58/41/62/415584162.db2.gz JDMPJSWUDQJEKD-NEPJUHHUSA-N 1 1 274.430 0.931 10 0 CCAEMO O=C1C[C@H]([N@H+]2CC[C@@H](CO)C2)C[C@@H](C(F)(F)F)N1 ZINC000725263127 545883732 /nfs/dbraw/zinc/88/37/32/545883732.db2.gz QCOXSCLKIKROGQ-HLTSFMKQSA-N 1 1 266.263 0.510 10 0 CCAEMO O=C1C[C@H]([N@H+]2CC[C@H](CO)C2)C[C@H](C(F)(F)F)N1 ZINC000725263126 545883757 /nfs/dbraw/zinc/88/37/57/545883757.db2.gz QCOXSCLKIKROGQ-DJLDLDEBSA-N 1 1 266.263 0.510 10 0 CCAEMO Cc1c(C[NH2+]CC(C)(C)N2CCN(C)CC2)cnn1C ZINC000093649366 544542883 /nfs/dbraw/zinc/54/28/83/544542883.db2.gz DKCGVQXNTOXVHL-UHFFFAOYSA-N 1 1 279.432 0.844 10 0 CCAEMO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC(N)=O)cc1F ZINC000094956404 544548563 /nfs/dbraw/zinc/54/85/63/544548563.db2.gz GFLXOUBUIRSKLT-KWQFWETISA-N 1 1 267.304 0.514 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccnnc2)C[C@H]1C ZINC000131845024 544619322 /nfs/dbraw/zinc/61/93/22/544619322.db2.gz GBUVXFSHMCDRPV-GFCCVEGCSA-N 1 1 278.356 0.659 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)c2ccnnc2)C[C@H]1C ZINC000131845024 544619327 /nfs/dbraw/zinc/61/93/27/544619327.db2.gz GBUVXFSHMCDRPV-GFCCVEGCSA-N 1 1 278.356 0.659 10 0 CCAEMO CC(C)[C@@H]([NH3+])CC(=O)NCCN1CCSCC1 ZINC000225813390 544829013 /nfs/dbraw/zinc/82/90/13/544829013.db2.gz PVTSNQNKDZBRJK-NSHDSACASA-N 1 1 259.419 0.525 10 0 CCAEMO C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246176002 544908238 /nfs/dbraw/zinc/90/82/38/544908238.db2.gz VUNVRHNLSGKFQH-HUUCEWRRSA-N 1 1 283.416 0.114 10 0 CCAEMO CC(C)(O)C[NH+]1CCN(C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000311647974 545013199 /nfs/dbraw/zinc/01/31/99/545013199.db2.gz LZMWMTYUJVVJES-UONOGXRCSA-N 1 1 270.417 0.926 10 0 CCAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000312515436 545013435 /nfs/dbraw/zinc/01/34/35/545013435.db2.gz NRYHSNMLWKGWRK-YNEHKIRRSA-N 1 1 279.336 0.908 10 0 CCAEMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1CCCC(=O)N1 ZINC000333963388 545044732 /nfs/dbraw/zinc/04/47/32/545044732.db2.gz NWJGUSDNYUXRKE-RYUDHWBXSA-N 1 1 267.373 0.598 10 0 CCAEMO C[C@@H](CNC(=O)N[C@@H]1CCCNC1=O)[N@@H+](C)C1CC1 ZINC000332808539 545033741 /nfs/dbraw/zinc/03/37/41/545033741.db2.gz SRJBFUJFKLVEAQ-GXSJLCMTSA-N 1 1 268.361 0.047 10 0 CCAEMO CCN(CC)C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173933959 276317819 /nfs/dbraw/zinc/31/78/19/276317819.db2.gz WWCTVPDVXBHNRC-ZDUSSCGKSA-N 1 1 269.389 0.261 10 0 CCAEMO CCOCC[N@H+]1CCN([C@H]2CCN(C)C2=O)C[C@H]1CC ZINC000247572391 276323396 /nfs/dbraw/zinc/32/33/96/276323396.db2.gz WWBQJHMAPLKRFH-KGLIPLIRSA-N 1 1 283.416 0.650 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1nocc1C ZINC000119062018 276369556 /nfs/dbraw/zinc/36/95/56/276369556.db2.gz VHWGGJHYALJLIL-LLVKDONJSA-N 1 1 294.355 0.864 10 0 CCAEMO CC(=O)N[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155478844 277052639 /nfs/dbraw/zinc/05/26/39/277052639.db2.gz DJZAIBOHMGMLOB-UMNHJUIQSA-N 1 1 255.362 0.356 10 0 CCAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000329668438 277075477 /nfs/dbraw/zinc/07/54/77/277075477.db2.gz LWWNAWBXAUIJHO-STQMWFEESA-N 1 1 277.372 0.611 10 0 CCAEMO COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000226493469 277118750 /nfs/dbraw/zinc/11/87/50/277118750.db2.gz DSUPPCUJHQBAPN-OLZOCXBDSA-N 1 1 268.357 0.345 10 0 CCAEMO COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000226493469 277118751 /nfs/dbraw/zinc/11/87/51/277118751.db2.gz DSUPPCUJHQBAPN-OLZOCXBDSA-N 1 1 268.357 0.345 10 0 CCAEMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408305040 277126340 /nfs/dbraw/zinc/12/63/40/277126340.db2.gz GLLONATVMRMADS-GXSJLCMTSA-N 1 1 296.289 0.233 10 0 CCAEMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000408305040 277126342 /nfs/dbraw/zinc/12/63/42/277126342.db2.gz GLLONATVMRMADS-GXSJLCMTSA-N 1 1 296.289 0.233 10 0 CCAEMO C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC000328987794 277143324 /nfs/dbraw/zinc/14/33/24/277143324.db2.gz RNIQKWNAWCCXDQ-UHIISALHSA-N 1 1 289.383 0.462 10 0 CCAEMO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC000328987794 277143326 /nfs/dbraw/zinc/14/33/26/277143326.db2.gz RNIQKWNAWCCXDQ-UHIISALHSA-N 1 1 289.383 0.462 10 0 CCAEMO C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC000328987794 277143327 /nfs/dbraw/zinc/14/33/27/277143327.db2.gz RNIQKWNAWCCXDQ-UHIISALHSA-N 1 1 289.383 0.462 10 0 CCAEMO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC000328987794 277143329 /nfs/dbraw/zinc/14/33/29/277143329.db2.gz RNIQKWNAWCCXDQ-UHIISALHSA-N 1 1 289.383 0.462 10 0 CCAEMO C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC000328987794 277143331 /nfs/dbraw/zinc/14/33/31/277143331.db2.gz RNIQKWNAWCCXDQ-UHIISALHSA-N 1 1 289.383 0.462 10 0 CCAEMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000247072347 277236580 /nfs/dbraw/zinc/23/65/80/277236580.db2.gz GPECWEFBDLNGNP-VXGBXAGGSA-N 1 1 293.371 0.673 10 0 CCAEMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000247072347 277236581 /nfs/dbraw/zinc/23/65/81/277236581.db2.gz GPECWEFBDLNGNP-VXGBXAGGSA-N 1 1 293.371 0.673 10 0 CCAEMO CO[C@@H]1C[C@@H](CO)[N@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000368488707 277305873 /nfs/dbraw/zinc/30/58/73/277305873.db2.gz SEJFIXNOIYFLTQ-YNEHKIRRSA-N 1 1 270.373 0.467 10 0 CCAEMO CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC000408261719 278077541 /nfs/dbraw/zinc/07/75/41/278077541.db2.gz SPWRPENMTRKEIC-NWDGAFQWSA-N 1 1 291.399 0.927 10 0 CCAEMO C[C@@H](C(N)=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305069 278217790 /nfs/dbraw/zinc/21/77/90/278217790.db2.gz CGWKHCIUZFUMJK-XQQFMLRXSA-N 1 1 283.416 0.681 10 0 CCAEMO C[C@@H](C(N)=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305069 278217792 /nfs/dbraw/zinc/21/77/92/278217792.db2.gz CGWKHCIUZFUMJK-XQQFMLRXSA-N 1 1 283.416 0.681 10 0 CCAEMO CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1O ZINC000365757669 278316708 /nfs/dbraw/zinc/31/67/08/278316708.db2.gz JJXPJOKFJSEEQH-KGLIPLIRSA-N 1 1 296.411 0.859 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)N[C@H]2C)C1 ZINC000333055013 279321310 /nfs/dbraw/zinc/32/13/10/279321310.db2.gz HOXYRDDELGQDDM-SRVKXCTJSA-N 1 1 282.388 0.437 10 0 CCAEMO C[C@@H]1C[N@@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C[C@H]1C(N)=O ZINC000408046722 288139082 /nfs/dbraw/zinc/13/90/82/288139082.db2.gz CXGQGBOSLWKZDL-MROQNXINSA-N 1 1 281.400 0.829 10 0 CCAEMO CCS(=O)(=O)NCC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152751709 280024912 /nfs/dbraw/zinc/02/49/12/280024912.db2.gz KDANZYZUIXYPMR-VXGBXAGGSA-N 1 1 276.402 0.427 10 0 CCAEMO O=C1NCCCC[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000010986772 280285207 /nfs/dbraw/zinc/28/52/07/280285207.db2.gz NYNZLLXZVPATDR-ZDUSSCGKSA-N 1 1 274.368 0.872 10 0 CCAEMO Cc1nc2ccc(N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)nn2n1 ZINC000284958305 282063119 /nfs/dbraw/zinc/06/31/19/282063119.db2.gz KAIZTSBWEAIOGM-RYUDHWBXSA-N 1 1 288.355 0.342 10 0 CCAEMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C[C@@](C)(O)C1CC1 ZINC000329579307 289045055 /nfs/dbraw/zinc/04/50/55/289045055.db2.gz PJWRFVJHEWNISA-XNRPHZJLSA-N 1 1 296.411 0.859 10 0 CCAEMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C[C@](C)(O)C1CC1 ZINC000329579308 289045084 /nfs/dbraw/zinc/04/50/84/289045084.db2.gz PJWRFVJHEWNISA-XPKDYRNWSA-N 1 1 296.411 0.859 10 0 CCAEMO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCNC(C)(C)C2)C1 ZINC000334938288 289393189 /nfs/dbraw/zinc/39/31/89/289393189.db2.gz RJFROVBMVGYKCB-RYUDHWBXSA-N 1 1 268.405 0.863 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)NC2CCC(O)CC2)C[C@@H]1C ZINC000248611243 290094185 /nfs/dbraw/zinc/09/41/85/290094185.db2.gz KVIYSRBFFZWKKG-FEPKRQSRSA-N 1 1 299.415 0.386 10 0 CCAEMO CO[C@H](C)C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000175987465 294203912 /nfs/dbraw/zinc/20/39/12/294203912.db2.gz OJCDQVDSPPDNPK-KGLIPLIRSA-N 1 1 283.416 0.650 10 0 CCAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401798633 545090545 /nfs/dbraw/zinc/09/05/45/545090545.db2.gz 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CC[C@H]1CN(C(=O)NC2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000153346963 544663372 /nfs/dbraw/zinc/66/33/72/544663372.db2.gz ILWMUBORQRMBLH-OCCSQVGLSA-N 1 1 299.415 0.652 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C(=O)NC)C1 ZINC000156494790 544678403 /nfs/dbraw/zinc/67/84/03/544678403.db2.gz HKPCRDMOZUVGBY-VXGBXAGGSA-N 1 1 282.388 0.391 10 0 CCAEMO CCN1CCO[C@@H](CN[C@@H](C)c2cnccn2)C1 ZINC000165250056 544721316 /nfs/dbraw/zinc/72/13/16/544721316.db2.gz FRKQKDOHPMZTJW-RYUDHWBXSA-N 1 1 250.346 0.848 10 0 CCAEMO CCN1CCC([NH2+]C[C@H]2CN(CC)CCO2)CC1 ZINC000165259107 544721375 /nfs/dbraw/zinc/72/13/75/544721375.db2.gz YEQMBQITRXDYQR-AWEZNQCLSA-N 1 1 255.406 0.781 10 0 CCAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)o1 ZINC000182566262 544761253 /nfs/dbraw/zinc/76/12/53/544761253.db2.gz KTXADNGBPKQRPA-MNOVXSKESA-N 1 1 281.356 0.832 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@]1(O)CCSC1 ZINC000247400858 544912232 /nfs/dbraw/zinc/91/22/32/544912232.db2.gz LNCAZGOMQLITMM-NTZNESFSSA-N 1 1 270.398 0.550 10 0 CCAEMO CC[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CC[N@H+]1C[C@H](C)O ZINC000248448465 544914383 /nfs/dbraw/zinc/91/43/83/544914383.db2.gz DQJMQOBQEFHUIW-YNEHKIRRSA-N 1 1 285.388 0.262 10 0 CCAEMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000333809073 545043463 /nfs/dbraw/zinc/04/34/63/545043463.db2.gz ZUAAZFZFBOQWNN-VXGBXAGGSA-N 1 1 277.372 0.995 10 0 CCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1C ZINC000332764497 545032924 /nfs/dbraw/zinc/03/29/24/545032924.db2.gz HXTBMQMXJAGFRE-UPJWGTAASA-N 1 1 285.388 0.574 10 0 CCAEMO C[C@H]1OCC[C@@H]1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000332946524 545036826 /nfs/dbraw/zinc/03/68/26/545036826.db2.gz PLAYNNFRIKPRJI-NEPJUHHUSA-N 1 1 253.346 0.725 10 0 CCAEMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000333685178 545041686 /nfs/dbraw/zinc/04/16/86/545041686.db2.gz FOIZIYTZHXDPQO-MNOVXSKESA-N 1 1 253.346 0.208 10 0 CCAEMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000305426381 280022736 /nfs/dbraw/zinc/02/27/36/280022736.db2.gz BUGBQBMSBARULO-MNOVXSKESA-N 1 1 264.391 0.019 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CC ZINC000179468352 276321802 /nfs/dbraw/zinc/32/18/02/276321802.db2.gz ILZFQZMVCHFGAG-ZDUSSCGKSA-N 1 1 294.399 0.993 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CC ZINC000179468352 276321805 /nfs/dbraw/zinc/32/18/05/276321805.db2.gz ILZFQZMVCHFGAG-ZDUSSCGKSA-N 1 1 294.399 0.993 10 0 CCAEMO C[N@@H+]1C[C@H]2CN(C[C@@H]3CC4(CCC4)C(=O)O3)C[C@H]2C1 ZINC000193606557 277198067 /nfs/dbraw/zinc/19/80/67/277198067.db2.gz PZYVIDQHBKLXMX-XQQFMLRXSA-N 1 1 264.369 0.966 10 0 CCAEMO COCC[N@@H+]1CCN([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1C ZINC000175189730 277225597 /nfs/dbraw/zinc/22/55/97/277225597.db2.gz YAIHLQRQRYWCKW-UONOGXRCSA-N 1 1 283.416 0.648 10 0 CCAEMO COCC[N@H+]1CCN([C@@H]2CCN(C(C)C)C2=O)C[C@@H]1C ZINC000175189730 277225598 /nfs/dbraw/zinc/22/55/98/277225598.db2.gz YAIHLQRQRYWCKW-UONOGXRCSA-N 1 1 283.416 0.648 10 0 CCAEMO COC(=O)CC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177250734 277319030 /nfs/dbraw/zinc/31/90/30/277319030.db2.gz XKPFMMKPOPKODS-RYUDHWBXSA-N 1 1 256.346 0.202 10 0 CCAEMO C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000333133104 278046344 /nfs/dbraw/zinc/04/63/44/278046344.db2.gz XCKCTWDAHJGXCZ-SDDRHHMPSA-N 1 1 280.372 0.143 10 0 CCAEMO CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC000408261720 278077531 /nfs/dbraw/zinc/07/75/31/278077531.db2.gz SPWRPENMTRKEIC-RYUDHWBXSA-N 1 1 291.399 0.927 10 0 CCAEMO COc1ncccc1CN1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000065507902 278094974 /nfs/dbraw/zinc/09/49/74/278094974.db2.gz XXENLFJQOIASBD-AWEZNQCLSA-N 1 1 276.384 0.522 10 0 CCAEMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000329241809 278097765 /nfs/dbraw/zinc/09/77/65/278097765.db2.gz RZMZYQIKHPZQPC-AAVRWANBSA-N 1 1 296.411 0.905 10 0 CCAEMO CC(C)n1nnnc1CN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329048002 278155296 /nfs/dbraw/zinc/15/52/96/278155296.db2.gz VPZWCVOUROULCZ-VXGBXAGGSA-N 1 1 280.376 0.159 10 0 CCAEMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249353512 278205672 /nfs/dbraw/zinc/20/56/72/278205672.db2.gz QIHLSXDXCOCZNC-XTNFGFQESA-N 1 1 284.400 0.497 10 0 CCAEMO C[C@H](CNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)[N@@H+](C)C1CC1 ZINC000332859917 278206144 /nfs/dbraw/zinc/20/61/44/278206144.db2.gz UZIXQZSHAWFSSY-MHDGFBEUSA-N 1 1 282.384 0.637 10 0 CCAEMO C[C@@H]([N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1)C1(C)CC1 ZINC000177224569 278302984 /nfs/dbraw/zinc/30/29/84/278302984.db2.gz GHUQANXHQDTVES-NEPJUHHUSA-N 1 1 281.400 0.831 10 0 CCAEMO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1O ZINC000365757668 278311484 /nfs/dbraw/zinc/31/14/84/278311484.db2.gz JJXPJOKFJSEEQH-KBPBESRZSA-N 1 1 296.411 0.859 10 0 CCAEMO C[C@@H](N[C@@H]1CCO[C@H]1c1cnn(C)c1)[C@@H]1CC[NH2+]C1 ZINC000333597897 278374080 /nfs/dbraw/zinc/37/40/80/278374080.db2.gz PYROOBDLGIEFJQ-OXHZDVMGSA-N 1 1 264.373 0.838 10 0 CCAEMO Cc1nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c(C)o1 ZINC000408074460 279066677 /nfs/dbraw/zinc/06/66/77/279066677.db2.gz UCOJGAJPFBFBGR-RYUDHWBXSA-N 1 1 279.340 0.837 10 0 CCAEMO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000118534345 279108484 /nfs/dbraw/zinc/10/84/84/279108484.db2.gz RVJLEJKCTRDJKV-WOPDTQHZSA-N 1 1 299.440 0.536 10 0 CCAEMO CC[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000335317989 279340548 /nfs/dbraw/zinc/34/05/48/279340548.db2.gz IODJAUAFMYCKBF-GFCCVEGCSA-N 1 1 294.399 0.535 10 0 CCAEMO C[C@@H]1CN(CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CCO1 ZINC000249279749 288174777 /nfs/dbraw/zinc/17/47/77/288174777.db2.gz MFGCCQBYNLZCKZ-ZNMIVQPWSA-N 1 1 267.417 0.876 10 0 CCAEMO C[C@H]1C[C@H](NC(=O)N2CCCN(C)C(=O)C2)C[N@H+]1C1CC1 ZINC000188313363 280002783 /nfs/dbraw/zinc/00/27/83/280002783.db2.gz DGVGAFTTXWYIQO-RYUDHWBXSA-N 1 1 294.399 0.485 10 0 CCAEMO O=C([C@@H]1COCC[NH2+]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000088370862 280104470 /nfs/dbraw/zinc/10/44/70/280104470.db2.gz OZWAXZAOQSVZKZ-SRVKXCTJSA-N 1 1 254.330 0.145 10 0 CCAEMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)CC(F)(F)F)[C@H]2C1 ZINC000336071585 290158292 /nfs/dbraw/zinc/15/82/92/290158292.db2.gz CCGJWXLDHUUFAV-BDAKNGLRSA-N 1 1 286.319 0.905 10 0 CCAEMO C[C@@H]1C[N@@H+](CCN2CCO[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC000249286385 297003586 /nfs/dbraw/zinc/00/35/86/297003586.db2.gz OILOJVXSNLHWEK-BZUAXINKSA-N 1 1 297.443 0.360 10 0 CCAEMO C[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCCC1)S(C)(=O)=O ZINC000186317906 298167978 /nfs/dbraw/zinc/16/79/78/298167978.db2.gz NLZLBMQMZWHSDF-NWDGAFQWSA-N 1 1 290.429 0.800 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccn(C)n1 ZINC000181611137 327379845 /nfs/dbraw/zinc/37/98/45/327379845.db2.gz DGWIPBYMOGGRIC-CYBMUJFWSA-N 1 1 264.373 0.905 10 0 CCAEMO CCNCc1cc(CN2CCC[N@H+](C)CC2)on1 ZINC000052424230 519988684 /nfs/dbraw/zinc/98/86/84/519988684.db2.gz HIFKVFVQTGREIQ-UHFFFAOYSA-N 1 1 252.362 0.922 10 0 CCAEMO CCNCc1cc(CN2CCC[N@@H+](C)CC2)on1 ZINC000052424230 519988692 /nfs/dbraw/zinc/98/86/92/519988692.db2.gz HIFKVFVQTGREIQ-UHFFFAOYSA-N 1 1 252.362 0.922 10 0 CCAEMO CCN[C@@H](CC[N@@H+](CC)[C@@H](C)COC)C(=O)OC ZINC000062457070 520085414 /nfs/dbraw/zinc/08/54/14/520085414.db2.gz MGJQSXUJFUNZEZ-RYUDHWBXSA-N 1 1 260.378 0.884 10 0 CCAEMO CCCN[C@@H](CC[N@@H+](CCOC)[C@@H](C)CC)C(N)=O ZINC000062522867 519999556 /nfs/dbraw/zinc/99/95/56/519999556.db2.gz AVAFKDNVRXOWFA-STQMWFEESA-N 1 1 273.421 0.977 10 0 CCAEMO CCOCCOC[C@H](O)C[NH2+][C@H](C)CCN(C)C ZINC000049557137 519999760 /nfs/dbraw/zinc/99/97/60/519999760.db2.gz SQSKLSCJRUOEKP-CHWSQXEVSA-N 1 1 262.394 0.330 10 0 CCAEMO CC[NH2+]Cc1cn(CCN2CCSCC2)nn1 ZINC000052425618 520012796 /nfs/dbraw/zinc/01/27/96/520012796.db2.gz AEWUGGVJZLYMCH-UHFFFAOYSA-N 1 1 255.391 0.436 10 0 CCAEMO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000365067174 520208686 /nfs/dbraw/zinc/20/86/86/520208686.db2.gz CCSSOLDRYZCSMU-RWMBFGLXSA-N 1 1 296.415 0.589 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccnc1N ZINC000050649145 521640479 /nfs/dbraw/zinc/64/04/79/521640479.db2.gz KXLRYOLTTUOEPW-SNVBAGLBSA-N 1 1 284.385 0.426 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000246729068 521645404 /nfs/dbraw/zinc/64/54/04/521645404.db2.gz VKLGWIQTFUVIRJ-RYUDHWBXSA-N 1 1 294.399 0.533 10 0 CCAEMO CNCc1cn(CC[N@H+](CCOC)C2CC2)nn1 ZINC000052542451 522142803 /nfs/dbraw/zinc/14/28/03/522142803.db2.gz ILBHIZGJRYQFTM-UHFFFAOYSA-N 1 1 253.350 0.108 10 0 CCAEMO CNCc1cn(CC[N@@H+](CCOC)C2CC2)nn1 ZINC000052542451 522142809 /nfs/dbraw/zinc/14/28/09/522142809.db2.gz ILBHIZGJRYQFTM-UHFFFAOYSA-N 1 1 253.350 0.108 10 0 CCAEMO COC(=O)[C@@H](CC[N@@H+]1CCOCC1(C)C)NC1CC1 ZINC000062463682 523572352 /nfs/dbraw/zinc/57/23/52/523572352.db2.gz RLPNOUICSWKGCU-GFCCVEGCSA-N 1 1 270.373 0.781 10 0 CCAEMO COC(=O)[C@@H](CC[N@H+]1CCOCC1(C)C)NC1CC1 ZINC000062463682 523572359 /nfs/dbraw/zinc/57/23/59/523572359.db2.gz RLPNOUICSWKGCU-GFCCVEGCSA-N 1 1 270.373 0.781 10 0 CCAEMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(N)nc2)C1 ZINC000050671864 523815671 /nfs/dbraw/zinc/81/56/71/523815671.db2.gz GZQQUJSZPNJNML-JTQLQIEISA-N 1 1 284.385 0.284 10 0 CCAEMO C[N@H+]1CCC[C@H](NC(=O)c2nc(NN)ccc2Cl)C1 ZINC000051094238 523845498 /nfs/dbraw/zinc/84/54/98/523845498.db2.gz GLSYRTVQCYPICI-QMMMGPOBSA-N 1 1 283.763 0.845 10 0 CCAEMO Cc1cccc(NS(=O)(=O)C[C@H]2CCC[NH2+]2)n1 ZINC000049641453 524690798 /nfs/dbraw/zinc/69/07/98/524690798.db2.gz VTMBZAPWACWXFD-SNVBAGLBSA-N 1 1 255.343 0.884 10 0 CCAEMO CCC(CC)(CCO)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000262637429 534915048 /nfs/dbraw/zinc/91/50/48/534915048.db2.gz PVBCKABIAHYZSC-NSHDSACASA-N 1 1 258.362 0.280 10 0 CCAEMO O=C([C@@H]1COCC[NH2+]1)N1CCC(OC2CCCC2)CC1 ZINC000154821036 526491278 /nfs/dbraw/zinc/49/12/78/526491278.db2.gz RDNYMKAKSKGSJU-AWEZNQCLSA-N 1 1 282.384 0.925 10 0 CCAEMO O=C(CCn1cncn1)N1CCC[N@H+](C2CC2)CC1 ZINC000149031485 526687477 /nfs/dbraw/zinc/68/74/77/526687477.db2.gz OMSDTVGLSMRTJU-UHFFFAOYSA-N 1 1 263.345 0.365 10 0 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0.388 10 0 CCAEMO CCN(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000261897475 535763977 /nfs/dbraw/zinc/76/39/77/535763977.db2.gz ABSOIHMGTDHPLV-KFWWJZLASA-N 1 1 291.395 0.376 10 0 CCAEMO C[NH2+][C@H](C(=O)N[C@H]1COc2ccccc21)c1cnn(C)c1 ZINC000262493164 536387632 /nfs/dbraw/zinc/38/76/32/536387632.db2.gz HWUKJIKSMQABLU-JSGCOSHPSA-N 1 1 286.335 0.931 10 0 CCAEMO C[NH+]1CCC(n2nc(N)nc2Br)CC1 ZINC000725249495 567908630 /nfs/dbraw/zinc/90/86/30/567908630.db2.gz FHRZUTLBGPEJFQ-UHFFFAOYSA-N 1 1 260.139 0.890 10 0 CCAEMO Nc1nc(N2CC[NH2+]CC2)[nH]c(=O)c1-c1ccccc1 ZINC000757180064 581697851 /nfs/dbraw/zinc/69/78/51/581697851.db2.gz SJSPRSWPOLPJBM-UHFFFAOYSA-N 1 1 271.324 0.841 10 0 CCAEMO CCOC(=O)C1CCN(c2noc([C@H]([NH3+])CCO)n2)CC1 ZINC000757121671 581939432 /nfs/dbraw/zinc/93/94/32/581939432.db2.gz PTFWXDJSFJUNHK-SNVBAGLBSA-N 1 1 298.343 0.231 10 0 CCAEMO CCCCOC[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300312745 614453395 /nfs/dbraw/zinc/45/33/95/614453395.db2.gz 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KMCAEUWLNDSXKZ-CYBMUJFWSA-N 1 1 272.389 0.718 10 0 CCAEMO CO[C@@H]1C[C@H](CO)[N@H+](CC(=O)NC2CCCC2)C1 ZINC000310921230 536807913 /nfs/dbraw/zinc/80/79/13/536807913.db2.gz BRQMJLLPVCBOQB-VXGBXAGGSA-N 1 1 256.346 0.127 10 0 CCAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000310921230 536807918 /nfs/dbraw/zinc/80/79/18/536807918.db2.gz BRQMJLLPVCBOQB-VXGBXAGGSA-N 1 1 256.346 0.127 10 0 CCAEMO CCCc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)n[nH]1 ZINC000116785916 349872480 /nfs/dbraw/zinc/87/24/80/349872480.db2.gz OODFHCMYVUXJHD-LBPRGKRZSA-N 1 1 280.372 0.765 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)CCSC)C[C@H]1C ZINC000117291925 349883306 /nfs/dbraw/zinc/88/33/06/349883306.db2.gz OSONFNFMYWOUFJ-LLVKDONJSA-N 1 1 260.403 0.919 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)CCSC)C[C@H]1C ZINC000117291925 349883309 /nfs/dbraw/zinc/88/33/09/349883309.db2.gz OSONFNFMYWOUFJ-LLVKDONJSA-N 1 1 260.403 0.919 10 0 CCAEMO CCNC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117467854 349886766 /nfs/dbraw/zinc/88/67/66/349886766.db2.gz PKTCJOVEUMKESM-AWEZNQCLSA-N 1 1 298.431 0.443 10 0 CCAEMO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000118399075 349902145 /nfs/dbraw/zinc/90/21/45/349902145.db2.gz BXLITBMZSLOWDW-GFCCVEGCSA-N 1 1 286.401 0.425 10 0 CCAEMO CCS(=O)(=O)CC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000118399075 349902148 /nfs/dbraw/zinc/90/21/48/349902148.db2.gz BXLITBMZSLOWDW-GFCCVEGCSA-N 1 1 286.401 0.425 10 0 CCAEMO CCS(=O)(=O)NCCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000245515589 136972071 /nfs/dbraw/zinc/97/20/71/136972071.db2.gz QFVUVCWXWDTVCV-CHWSQXEVSA-N 1 1 289.445 0.484 10 0 CCAEMO C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1N1CCOCC1 ZINC000246087581 136976348 /nfs/dbraw/zinc/97/63/48/136976348.db2.gz GMQOWUKGUJBGLE-ZIAGYGMSSA-N 1 1 281.400 0.261 10 0 CCAEMO Cc1cc(CC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)[nH]n1 ZINC000246162547 136976998 /nfs/dbraw/zinc/97/69/98/136976998.db2.gz JNLIVCQYCLVISD-DGCLKSJQSA-N 1 1 262.357 0.956 10 0 CCAEMO C[C@H](CC(=O)Nc1cccc(F)c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000263121193 137058750 /nfs/dbraw/zinc/05/87/50/137058750.db2.gz AWZRXAQQEPZSHG-GYSYKLTISA-N 1 1 295.358 0.713 10 0 CCAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000261994034 137027566 /nfs/dbraw/zinc/02/75/66/137027566.db2.gz TVCNELWFJVZHEK-ICCXJUOJSA-N 1 1 298.770 0.867 10 0 CCAEMO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(F)cc2nc[nH]c21 ZINC000262296887 137036014 /nfs/dbraw/zinc/03/60/14/137036014.db2.gz PGNDAKRZWNPORM-CPCISQLKSA-N 1 1 278.287 0.012 10 0 CCAEMO CO[C@H]1C[C@H](CO)N(c2cc[nH+]c(N(C)C)n2)C1 ZINC000310887067 137073165 /nfs/dbraw/zinc/07/31/65/137073165.db2.gz STKHJABTNQYXDR-ZJUUUORDSA-N 1 1 252.318 0.129 10 0 CCAEMO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000332848788 137081843 /nfs/dbraw/zinc/08/18/43/137081843.db2.gz UFGMXBURCDYQSQ-YPMHNXCESA-N 1 1 279.384 0.740 10 0 CCAEMO Cn1cc(-c2ccc(CNC[C@@H]3C[NH2+]C[C@@H]3O)s2)cn1 ZINC000263231624 137060916 /nfs/dbraw/zinc/06/09/16/137060916.db2.gz NNNKQVBZBXQMTL-MFKMUULPSA-N 1 1 292.408 0.819 10 0 CCAEMO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)N(C)Cc2ccccc2)C1 ZINC000344677786 137207130 /nfs/dbraw/zinc/20/71/30/137207130.db2.gz OLZBSBLSEAINGU-CABCVRRESA-N 1 1 292.379 0.727 10 0 CCAEMO CO[C@@H]1C[C@H](CO)[N@@H+](CCCn2ccnc2C)C1 ZINC000344697790 137208752 /nfs/dbraw/zinc/20/87/52/137208752.db2.gz CEECPOJBDRZKLW-CHWSQXEVSA-N 1 1 253.346 0.663 10 0 CCAEMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(N)nc1OC ZINC000033886072 348148197 /nfs/dbraw/zinc/14/81/97/348148197.db2.gz QDZFOCNKTLRUNL-SNVBAGLBSA-N 1 1 293.371 0.672 10 0 CCAEMO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)c(=O)n(C)c2=O)o1 ZINC000036959888 348175004 /nfs/dbraw/zinc/17/50/04/348175004.db2.gz DBHCDXJAHDVGJT-JTQLQIEISA-N 1 1 277.324 0.836 10 0 CCAEMO CCOCC1(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000346700827 137301333 /nfs/dbraw/zinc/30/13/33/137301333.db2.gz RCRKSJOJPXNXFK-STQMWFEESA-N 1 1 284.400 0.981 10 0 CCAEMO CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000602931043 362892231 /nfs/dbraw/zinc/89/22/31/362892231.db2.gz SCRQNBYHTJZYTF-VXGBXAGGSA-N 1 1 286.372 0.291 10 0 CCAEMO COC(=O)c1ccc(C[NH2+][C@@H]2CCCNC2=O)o1 ZINC000050395376 348475191 /nfs/dbraw/zinc/47/51/91/348475191.db2.gz NLAVEXLDDXGVSP-SECBINFHSA-N 1 1 252.270 0.434 10 0 CCAEMO Cc1nn(C)c(C)c1[C@@H](C[NH3+])N1CCN(C)CC1 ZINC000053994321 348538173 /nfs/dbraw/zinc/53/81/73/348538173.db2.gz GYJZSWZWJIOUFO-GFCCVEGCSA-N 1 1 251.378 0.284 10 0 CCAEMO COCCC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000066074899 348732020 /nfs/dbraw/zinc/73/20/20/348732020.db2.gz KKUTZTRTKWVJJQ-LBPRGKRZSA-N 1 1 270.373 0.735 10 0 CCAEMO CC[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)c1nccs1 ZINC000088372635 349364629 /nfs/dbraw/zinc/36/46/29/349364629.db2.gz KUGKIMVJGJIMNO-BDAKNGLRSA-N 1 1 255.343 0.699 10 0 CCAEMO CCCN(C)S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000121198242 350027023 /nfs/dbraw/zinc/02/70/23/350027023.db2.gz ILEDAONSCWDBKL-LBPRGKRZSA-N 1 1 277.434 0.989 10 0 CCAEMO Cn1nnc2cc(C(=O)NC[C@@H]3CCC[N@H+]3C)ccc21 ZINC000104867024 186030137 /nfs/dbraw/zinc/03/01/37/186030137.db2.gz JFLHNZKTQOLGGB-NSHDSACASA-N 1 1 273.340 0.792 10 0 CCAEMO C[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1nncn1C ZINC000105064443 186039248 /nfs/dbraw/zinc/03/92/48/186039248.db2.gz WLOSQDQNLMCOBX-NWDGAFQWSA-N 1 1 292.387 0.756 10 0 CCAEMO COCC[C@@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105220078 186047405 /nfs/dbraw/zinc/04/74/05/186047405.db2.gz QITSEEQXADMXMB-LLVKDONJSA-N 1 1 255.362 0.901 10 0 CCAEMO COCC[C@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105220075 186047579 /nfs/dbraw/zinc/04/75/79/186047579.db2.gz QITSEEQXADMXMB-NSHDSACASA-N 1 1 255.362 0.901 10 0 CCAEMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCNC(=O)CC2)C1 ZINC000105180078 186045165 /nfs/dbraw/zinc/04/51/65/186045165.db2.gz ZWDAOHKODDZHLN-GFCCVEGCSA-N 1 1 282.388 0.250 10 0 CCAEMO C[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1C)C[NH+]1CCOCC1 ZINC000131835912 350288649 /nfs/dbraw/zinc/28/86/49/350288649.db2.gz XGWGEBBUCJZZTA-JHJVBQTASA-N 1 1 285.388 0.431 10 0 CCAEMO COC(=O)Cn1cc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000134125013 350354825 /nfs/dbraw/zinc/35/48/25/350354825.db2.gz FFJKZFKJSGUENG-QWRGUYRKSA-N 1 1 282.344 0.103 10 0 CCAEMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000134319993 350360840 /nfs/dbraw/zinc/36/08/40/350360840.db2.gz SRRSPHZAGUCDEB-RYUDHWBXSA-N 1 1 276.402 0.568 10 0 CCAEMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000134324505 350360882 /nfs/dbraw/zinc/36/08/82/350360882.db2.gz GUKQEYZANXRWDY-STQMWFEESA-N 1 1 290.429 0.958 10 0 CCAEMO COCCCC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135689163 350406052 /nfs/dbraw/zinc/40/60/52/350406052.db2.gz ZNXRFVBKIYNMAX-ZDUSSCGKSA-N 1 1 290.429 0.913 10 0 CCAEMO O=S(=O)([C@@H]1CC[N@H+](CCCF)C1)N1CCCC1 ZINC000135683321 350406575 /nfs/dbraw/zinc/40/65/75/350406575.db2.gz JMCNJPCYDDHQST-LLVKDONJSA-N 1 1 264.366 0.846 10 0 CCAEMO CC(=O)CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135718159 350407006 /nfs/dbraw/zinc/40/70/06/350407006.db2.gz ADFYIEWYNLNLRT-LBPRGKRZSA-N 1 1 274.386 0.465 10 0 CCAEMO CC(=O)CC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135718159 350407014 /nfs/dbraw/zinc/40/70/14/350407014.db2.gz ADFYIEWYNLNLRT-LBPRGKRZSA-N 1 1 274.386 0.465 10 0 CCAEMO CC[C@@H]1CN(CCn2cccn2)CC[N@H+]1C[C@@H](C)O ZINC000105827686 186074398 /nfs/dbraw/zinc/07/43/98/186074398.db2.gz HZORGQYKQCAEDM-ZIAGYGMSSA-N 1 1 266.389 0.660 10 0 CCAEMO CCNC(=O)CCN1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000105827032 186074854 /nfs/dbraw/zinc/07/48/54/186074854.db2.gz TVLISGAGHMDVGS-OLZOCXBDSA-N 1 1 271.405 0.290 10 0 CCAEMO CCNC(=O)CC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000105827032 186074855 /nfs/dbraw/zinc/07/48/55/186074855.db2.gz TVLISGAGHMDVGS-OLZOCXBDSA-N 1 1 271.405 0.290 10 0 CCAEMO CCNC(=O)CC[N@H+]1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000105827032 186074857 /nfs/dbraw/zinc/07/48/57/186074857.db2.gz TVLISGAGHMDVGS-OLZOCXBDSA-N 1 1 271.405 0.290 10 0 CCAEMO CCN(CC)C(=O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000105831844 186076285 /nfs/dbraw/zinc/07/62/85/186076285.db2.gz KVCIOKQKGVXPHH-CYBMUJFWSA-N 1 1 271.405 0.507 10 0 CCAEMO CCN(CC)C(=O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000105831844 186076287 /nfs/dbraw/zinc/07/62/87/186076287.db2.gz KVCIOKQKGVXPHH-CYBMUJFWSA-N 1 1 271.405 0.507 10 0 CCAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000105851296 186078783 /nfs/dbraw/zinc/07/87/83/186078783.db2.gz HWFNEHMBTRASIU-VXGBXAGGSA-N 1 1 290.367 0.888 10 0 CCAEMO CCNC(=O)CN1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000105915084 186088584 /nfs/dbraw/zinc/08/85/84/186088584.db2.gz PXAWHKYGYPXRMV-CYBMUJFWSA-N 1 1 271.405 0.555 10 0 CCAEMO CNC(=O)C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105919937 186089890 /nfs/dbraw/zinc/08/98/90/186089890.db2.gz RTYOZSQCXGVIOZ-GFCCVEGCSA-N 1 1 265.361 0.353 10 0 CCAEMO Cc1nnc(CN2CC[NH+](CCOC(C)C)CC2)n1C ZINC000105928184 186092432 /nfs/dbraw/zinc/09/24/32/186092432.db2.gz MLOCJVBLRORZJB-UHFFFAOYSA-N 1 1 281.404 0.666 10 0 CCAEMO CC[C@H](O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106386363 186113706 /nfs/dbraw/zinc/11/37/06/186113706.db2.gz VXQKATLYKXVMKF-LBPRGKRZSA-N 1 1 250.346 0.760 10 0 CCAEMO CCNC(=O)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106454883 186119176 /nfs/dbraw/zinc/11/91/76/186119176.db2.gz FVJHJJXYWDQMIR-ZDUSSCGKSA-N 1 1 277.368 0.412 10 0 CCAEMO CCc1nc2n(n1)C[C@H](NC(=O)C[N@H+](CC)C1CC1)CC2 ZINC000152665506 350537161 /nfs/dbraw/zinc/53/71/61/350537161.db2.gz SJYNJUGISKEUSP-LLVKDONJSA-N 1 1 291.399 0.756 10 0 CCAEMO CC(C)c1noc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000153149777 350554644 /nfs/dbraw/zinc/55/46/44/350554644.db2.gz GGMVJOUUDWBESV-VHSXEESVSA-N 1 1 252.318 0.712 10 0 CCAEMO [NH3+]C[C@@H](NC(=O)[C@@H]1NCCc2ccccc21)C1CC1 ZINC000159319423 350675748 /nfs/dbraw/zinc/67/57/48/350675748.db2.gz YIQVTAHGQAQMGT-ZIAGYGMSSA-N 1 1 259.353 0.727 10 0 CCAEMO C[C@@H](CO)Sc1nc(NN)[nH+]cc1Br ZINC000162951058 350758024 /nfs/dbraw/zinc/75/80/24/350758024.db2.gz PBRLAOHAJCLNRA-BYPYZUCNSA-N 1 1 279.163 0.998 10 0 CCAEMO CCC[C@H](C(=O)N[C@H](C)CN1CCN(C)CC1)[NH+](C)C ZINC000162040338 350734566 /nfs/dbraw/zinc/73/45/66/350734566.db2.gz MABXRVASYIDMJP-ZIAGYGMSSA-N 1 1 284.448 0.469 10 0 CCAEMO COC(=O)CCCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000163420779 350765817 /nfs/dbraw/zinc/76/58/17/350765817.db2.gz ZEHFIGXVTGGNJM-JTQLQIEISA-N 1 1 279.340 0.892 10 0 CCAEMO O=C(c1ccccc1-n1cnnn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000170856239 350867911 /nfs/dbraw/zinc/86/79/11/350867911.db2.gz ONQOVVUAGFBGPK-GFCCVEGCSA-N 1 1 298.350 0.583 10 0 CCAEMO Cc1nc(C)c(CCNC(=O)[C@H]2COCC[NH2+]2)s1 ZINC000168488874 350827288 /nfs/dbraw/zinc/82/72/88/350827288.db2.gz DKVBTGRBBVWOCE-SNVBAGLBSA-N 1 1 269.370 0.407 10 0 CCAEMO CS(=O)(=O)CCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171716538 350931061 /nfs/dbraw/zinc/93/10/61/350931061.db2.gz LJDQTQZLYWURPX-LLVKDONJSA-N 1 1 274.386 0.118 10 0 CCAEMO COCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000171197910 350893182 /nfs/dbraw/zinc/89/31/82/350893182.db2.gz ICACEROTMOFXHV-NEPJUHHUSA-N 1 1 273.377 0.431 10 0 CCAEMO 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ZINC000335739058 389601710 /nfs/dbraw/zinc/60/17/10/389601710.db2.gz GGKKZRKTDPZACP-WCQYABFASA-N 1 1 255.362 0.637 10 0 CCAEMO O=C(C[NH2+]CC1CC1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000183003072 389722719 /nfs/dbraw/zinc/72/27/19/389722719.db2.gz ZTGKDRBSEGPPHG-NSHDSACASA-N 1 1 263.345 0.858 10 0 CCAEMO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(F)(F)CN1)c1ccco1 ZINC000375516400 389683808 /nfs/dbraw/zinc/68/38/08/389683808.db2.gz ALEGPUAVWBLRTI-NXEZZACHSA-N 1 1 287.310 0.996 10 0 CCAEMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(F)(F)CN1)c1ccco1 ZINC000375516401 389683942 /nfs/dbraw/zinc/68/39/42/389683942.db2.gz ALEGPUAVWBLRTI-UWVGGRQHSA-N 1 1 287.310 0.996 10 0 CCAEMO CC(C)[N@@H+]1C[C@H](NC(=O)Cc2ccn(C)n2)[C@@H](C)C1 ZINC000181693525 389691250 /nfs/dbraw/zinc/69/12/50/389691250.db2.gz RWNNIMJITLDZPS-AAEUAGOBSA-N 1 1 264.373 0.808 10 0 CCAEMO CCc1nnc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)[nH]1 ZINC000181687670 389691448 /nfs/dbraw/zinc/69/14/48/389691448.db2.gz LPQODRRVVPEYLN-GHMZBOCLSA-N 1 1 267.377 0.254 10 0 CCAEMO CCc1nnc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)[nH]1 ZINC000181687670 389691450 /nfs/dbraw/zinc/69/14/50/389691450.db2.gz LPQODRRVVPEYLN-GHMZBOCLSA-N 1 1 267.377 0.254 10 0 CCAEMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000407996589 389818707 /nfs/dbraw/zinc/81/87/07/389818707.db2.gz NCJSSFPKOFSGOJ-STQMWFEESA-N 1 1 281.400 0.975 10 0 CCAEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cnc2ccccn2c1=O ZINC000408112778 389827564 /nfs/dbraw/zinc/82/75/64/389827564.db2.gz NRZYDFIKNFLHCY-NSHDSACASA-N 1 1 286.335 0.471 10 0 CCAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cnc2ccccn2c1=O ZINC000408112778 389827566 /nfs/dbraw/zinc/82/75/66/389827566.db2.gz NRZYDFIKNFLHCY-NSHDSACASA-N 1 1 286.335 0.471 10 0 CCAEMO CC[C@@H]1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC(=O)N1 ZINC000408191558 389832789 /nfs/dbraw/zinc/83/27/89/389832789.db2.gz GTEFNNYRPFINEM-SYQHCUMBSA-N 1 1 293.411 0.986 10 0 CCAEMO C[C@H]1C[N@@H+](C)CCN1Cc1nnnn1C(C)(C)C ZINC000408247625 389837809 /nfs/dbraw/zinc/83/78/09/389837809.db2.gz PIJPTJLGFOVVJU-JTQLQIEISA-N 1 1 252.366 0.564 10 0 CCAEMO CC(C)[N@@H+](C)CCNC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408252389 389838365 /nfs/dbraw/zinc/83/83/65/389838365.db2.gz PZIDCLFXJFWFLF-HNNXBMFYSA-N 1 1 296.415 0.638 10 0 CCAEMO CS(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000647956717 390227316 /nfs/dbraw/zinc/22/73/16/390227316.db2.gz AHVSQJLHJGYLSH-OLZOCXBDSA-N 1 1 290.429 0.505 10 0 CCAEMO Cc1cc(C[N@@H+]2CCC[C@](O)(c3cn[nH]n3)C2)on1 ZINC000583617948 390297846 /nfs/dbraw/zinc/29/78/46/390297846.db2.gz MOGACBDWOLCRRE-GFCCVEGCSA-N 1 1 263.301 0.585 10 0 CCAEMO Cc1cc(C[N@H+]2CCC[C@](O)(c3cn[nH]n3)C2)on1 ZINC000583617948 390297849 /nfs/dbraw/zinc/29/78/49/390297849.db2.gz MOGACBDWOLCRRE-GFCCVEGCSA-N 1 1 263.301 0.585 10 0 CCAEMO O[C@H]1C[C@H]2CC[N@H+]3Cc4cc5c(cc4[C@H]([C@@H]23)[C@@H]1O)OCO5 ZINC000014887535 285370260 /nfs/dbraw/zinc/37/02/60/285370260.db2.gz VJILFEGOWCJNIK-WOYGGGPOSA-N 1 1 289.331 0.829 10 0 CCAEMO CCCc1noc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)n1 ZINC000282276142 195559113 /nfs/dbraw/zinc/55/91/13/195559113.db2.gz HWBCDAYNAXLFGD-BDAKNGLRSA-N 1 1 252.318 0.779 10 0 CCAEMO CC(C)CN1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649278786 390545818 /nfs/dbraw/zinc/54/58/18/390545818.db2.gz BTJYMTZQKNIWHJ-CYBMUJFWSA-N 1 1 269.389 0.023 10 0 CCAEMO COc1ccccc1[C@@H](C)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000040851229 397395262 /nfs/dbraw/zinc/39/52/62/397395262.db2.gz RAIZFSZHTRJBIV-PSASIEDQSA-N 1 1 265.313 0.075 10 0 CCAEMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000372169638 144356117 /nfs/dbraw/zinc/35/61/17/144356117.db2.gz KISUISVWTCZXJF-RYUDHWBXSA-N 1 1 276.402 0.425 10 0 CCAEMO CC[N@H+]1CC[C@@H](NCc2ccc(S(N)(=O)=O)o2)C1 ZINC000389223014 397509918 /nfs/dbraw/zinc/50/99/18/397509918.db2.gz GBUBEXYMCNLXJY-SECBINFHSA-N 1 1 273.358 0.111 10 0 CCAEMO CCN1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000389223014 397509923 /nfs/dbraw/zinc/50/99/23/397509923.db2.gz GBUBEXYMCNLXJY-SECBINFHSA-N 1 1 273.358 0.111 10 0 CCAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C12CCCC2 ZINC000121219468 286245973 /nfs/dbraw/zinc/24/59/73/286245973.db2.gz OOABJDLKGCTJEH-GHMZBOCLSA-N 1 1 283.372 0.851 10 0 CCAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000314578209 411758020 /nfs/dbraw/zinc/75/80/20/411758020.db2.gz LUSAGPINUGKYMN-RFQIPJPRSA-N 1 1 272.389 0.177 10 0 CCAEMO C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccccn1 ZINC000020123893 171005630 /nfs/dbraw/zinc/00/56/30/171005630.db2.gz YNJGIYDVXMLSPB-SNVBAGLBSA-N 1 1 274.324 0.330 10 0 CCAEMO Cc1ccc(N)cc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000022167149 171366102 /nfs/dbraw/zinc/36/61/02/171366102.db2.gz OAVRRTACYHHHGA-UHFFFAOYSA-N 1 1 263.341 0.972 10 0 CCAEMO C[C@@H](C(=O)Nc1ccccc1N)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000022219302 171377196 /nfs/dbraw/zinc/37/71/96/171377196.db2.gz OWNSCHOROIKUTD-WDEREUQCSA-N 1 1 290.367 0.793 10 0 CCAEMO NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000284847021 196143010 /nfs/dbraw/zinc/14/30/10/196143010.db2.gz CLVJTTPDBPJQPO-OAHLLOKOSA-N 1 1 271.320 0.657 10 0 CCAEMO CC(C)n1nnnc1C[N@@H+]1CCCCC[C@H]1CO ZINC000653781059 412345745 /nfs/dbraw/zinc/34/57/45/412345745.db2.gz BLGXSXYSTAFDSS-NSHDSACASA-N 1 1 253.350 0.991 10 0 CCAEMO CC(C)n1nnnc1C[N@H+]1CCCCC[C@H]1CO ZINC000653781059 412345750 /nfs/dbraw/zinc/34/57/50/412345750.db2.gz BLGXSXYSTAFDSS-NSHDSACASA-N 1 1 253.350 0.991 10 0 CCAEMO CCNC(=O)C[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000035141940 172008701 /nfs/dbraw/zinc/00/87/01/172008701.db2.gz GVZRTKBSOAMYSU-UHFFFAOYSA-N 1 1 265.313 0.359 10 0 CCAEMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1N)CC(N)=O ZINC000037268097 173079392 /nfs/dbraw/zinc/07/93/92/173079392.db2.gz YLTZVPZBDZTTJF-UHFFFAOYSA-N 1 1 284.747 0.668 10 0 CCAEMO CCCN1C(=O)C[C@H](NC[C@H](C)[NH+]2CCCCC2)C1=O ZINC000038029195 174019484 /nfs/dbraw/zinc/01/94/84/174019484.db2.gz IMLNSGGKVNQTJW-STQMWFEESA-N 1 1 281.400 0.988 10 0 CCAEMO COc1ccc(Cl)cc1C[NH2+]CCS(N)(=O)=O ZINC000038051535 174062964 /nfs/dbraw/zinc/06/29/64/174062964.db2.gz HPNVDHWVIWUJIX-UHFFFAOYSA-N 1 1 278.761 0.727 10 0 CCAEMO C[C@@H]1CN(Cc2noc(C[NH3+])n2)C[C@@](C)(C(F)F)O1 ZINC000662335748 414710852 /nfs/dbraw/zinc/71/08/52/414710852.db2.gz QDTPCYKDBDGIJW-HQJQHLMTSA-N 1 1 276.287 0.773 10 0 CCAEMO C[C@@H]1CCCN1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248751846 287369046 /nfs/dbraw/zinc/36/90/46/287369046.db2.gz STLGROMRTBHYNC-OLZOCXBDSA-N 1 1 287.429 0.886 10 0 CCAEMO C[C@@H]1CCCN1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248751846 287369047 /nfs/dbraw/zinc/36/90/47/287369047.db2.gz STLGROMRTBHYNC-OLZOCXBDSA-N 1 1 287.429 0.886 10 0 CCAEMO FC1(F)CNC[C@H]1CNc1ccnn1C1C[NH2+]C1 ZINC000725259666 545881945 /nfs/dbraw/zinc/88/19/45/545881945.db2.gz GDMSLIBCVQATME-QMMMGPOBSA-N 1 1 257.288 0.294 10 0 CCAEMO C[C@H]1C[N@@H+](CCC(=O)N2CCOCC2)CCS1 ZINC000171691066 335074684 /nfs/dbraw/zinc/07/46/84/335074684.db2.gz VQADBMVMGGURKJ-NSHDSACASA-N 1 1 258.387 0.673 10 0 CCAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)n1 ZINC000116278484 228057797 /nfs/dbraw/zinc/05/77/97/228057797.db2.gz LIYSJYRUVNWJRT-ZIAGYGMSSA-N 1 1 291.399 0.838 10 0 CCAEMO CN(Cc1cccc(O)c1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000088371099 544506507 /nfs/dbraw/zinc/50/65/07/544506507.db2.gz WRAQCCUHGRYFDH-LBPRGKRZSA-N 1 1 250.298 0.339 10 0 CCAEMO [NH3+]Cc1nc(C(=O)N[C@@H]2CCC[C@H](O)C2)cs1 ZINC000090930339 544524783 /nfs/dbraw/zinc/52/47/83/544524783.db2.gz SNBGWTROWIIKDD-SFYZADRCSA-N 1 1 255.343 0.635 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)NCC2(OC)CCOCC2)C1 ZINC000122086559 544579054 /nfs/dbraw/zinc/57/90/54/544579054.db2.gz VCWGKWUYDYCZLQ-ZDUSSCGKSA-N 1 1 299.415 0.966 10 0 CCAEMO CC[N@@H+]1CCO[C@H](CNc2cc(OC)ncn2)C1 ZINC000162537632 544711323 /nfs/dbraw/zinc/71/13/23/544711323.db2.gz SNMXUSUAAPIYKQ-SNVBAGLBSA-N 1 1 252.318 0.618 10 0 CCAEMO CC[N@H+]1CCO[C@H](CNc2cc(OC)ncn2)C1 ZINC000162537632 544711327 /nfs/dbraw/zinc/71/13/27/544711327.db2.gz SNMXUSUAAPIYKQ-SNVBAGLBSA-N 1 1 252.318 0.618 10 0 CCAEMO CNC(=O)[C@H]([NH2+]Cc1nnc(C)n1C1CC1)C(C)C ZINC000183642356 544769353 /nfs/dbraw/zinc/76/93/53/544769353.db2.gz FZRCZUMIRMFZQE-GFCCVEGCSA-N 1 1 265.361 0.782 10 0 CCAEMO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000311020631 545011516 /nfs/dbraw/zinc/01/15/16/545011516.db2.gz LPIDAJFRYRQWPZ-KBPBESRZSA-N 1 1 258.406 0.924 10 0 CCAEMO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H]1CCCO ZINC000311020631 545011518 /nfs/dbraw/zinc/01/15/18/545011518.db2.gz LPIDAJFRYRQWPZ-KBPBESRZSA-N 1 1 258.406 0.924 10 0 CCAEMO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H]1CCCO ZINC000311020631 545011519 /nfs/dbraw/zinc/01/15/19/545011519.db2.gz LPIDAJFRYRQWPZ-KBPBESRZSA-N 1 1 258.406 0.924 10 0 CCAEMO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H]1CCCO ZINC000311020631 545011521 /nfs/dbraw/zinc/01/15/21/545011521.db2.gz LPIDAJFRYRQWPZ-KBPBESRZSA-N 1 1 258.406 0.924 10 0 CCAEMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000332738557 545032173 /nfs/dbraw/zinc/03/21/73/545032173.db2.gz CZCSYMIGAVKCSK-NWDGAFQWSA-N 1 1 282.388 0.296 10 0 CCAEMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cccn1C ZINC000334598504 545046783 /nfs/dbraw/zinc/04/67/83/545046783.db2.gz PKOAJPWTTKLGED-LLVKDONJSA-N 1 1 271.386 0.740 10 0 CCAEMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cccn1C ZINC000334598504 545046785 /nfs/dbraw/zinc/04/67/85/545046785.db2.gz PKOAJPWTTKLGED-LLVKDONJSA-N 1 1 271.386 0.740 10 0 CCAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cnc(N)cn1 ZINC000228577043 262343720 /nfs/dbraw/zinc/34/37/20/262343720.db2.gz VNXHHXCFLQSVBQ-GHMZBOCLSA-N 1 1 275.356 0.758 10 0 CCAEMO CCOc1ccnc(N2CC[NH+](C[C@@H](O)COC)CC2)n1 ZINC000126672604 273710191 /nfs/dbraw/zinc/71/01/91/273710191.db2.gz YHIWVOZGOGQABR-GFCCVEGCSA-N 1 1 296.371 0.005 10 0 CCAEMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654315 276154518 /nfs/dbraw/zinc/15/45/18/276154518.db2.gz GSTNYXLUQKFFGZ-VXGBXAGGSA-N 1 1 277.372 0.584 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CC ZINC000179468342 276321898 /nfs/dbraw/zinc/32/18/98/276321898.db2.gz ILZFQZMVCHFGAG-CYBMUJFWSA-N 1 1 294.399 0.993 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CC ZINC000179468342 276321899 /nfs/dbraw/zinc/32/18/99/276321899.db2.gz ILZFQZMVCHFGAG-CYBMUJFWSA-N 1 1 294.399 0.993 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2C(=O)NCC[C@H]2C)C1 ZINC000193906406 276375741 /nfs/dbraw/zinc/37/57/41/276375741.db2.gz GWYGENPVOYYTIK-GRYCIOLGSA-N 1 1 282.388 0.295 10 0 CCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2nccs2)CC1 ZINC000184885604 276444137 /nfs/dbraw/zinc/44/41/37/276444137.db2.gz LXKXGYAHOUJEEV-LLVKDONJSA-N 1 1 298.412 0.741 10 0 CCAEMO CC[C@@H](O)C[NH+]1CCN(CC(=O)c2cccn2C)CC1 ZINC000173458300 276445149 /nfs/dbraw/zinc/44/51/49/276445149.db2.gz DSGCJFSURJNVMF-CYBMUJFWSA-N 1 1 279.384 0.596 10 0 CCAEMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CCN2C1=O ZINC000369419493 277020656 /nfs/dbraw/zinc/02/06/56/277020656.db2.gz RTMHSZDIMQCBFD-CYBMUJFWSA-N 1 1 299.334 0.641 10 0 CCAEMO CNS(=O)(=O)CCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000407948048 277034804 /nfs/dbraw/zinc/03/48/04/277034804.db2.gz OBYFERIGNQXVGT-QWHCGFSZSA-N 1 1 290.429 0.553 10 0 CCAEMO C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(O)CC1 ZINC000194798449 277063031 /nfs/dbraw/zinc/06/30/31/277063031.db2.gz TVSCMAWZFDUTCK-MOENNCHZSA-N 1 1 255.362 0.683 10 0 CCAEMO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 ZINC000334208991 277071122 /nfs/dbraw/zinc/07/11/22/277071122.db2.gz KIJWSIIWYNRIFC-SMDDNHRTSA-N 1 1 265.357 0.067 10 0 CCAEMO COC(=O)[C@H](C)[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177256191 277117877 /nfs/dbraw/zinc/11/78/77/277117877.db2.gz GNSJAXRANKBQAI-SRVKXCTJSA-N 1 1 256.346 0.200 10 0 CCAEMO COC(=O)[C@H](C)[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177256191 277117880 /nfs/dbraw/zinc/11/78/80/277117880.db2.gz GNSJAXRANKBQAI-SRVKXCTJSA-N 1 1 256.346 0.200 10 0 CCAEMO COC(=O)[C@H](C)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000177256191 277117881 /nfs/dbraw/zinc/11/78/81/277117881.db2.gz GNSJAXRANKBQAI-SRVKXCTJSA-N 1 1 256.346 0.200 10 0 CCAEMO CN1C[C@@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCC1=O ZINC000332832535 277140932 /nfs/dbraw/zinc/14/09/32/277140932.db2.gz ATPCZVCZHQQGLE-FRRDWIJNSA-N 1 1 294.399 0.343 10 0 CCAEMO COCC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173279627 277195375 /nfs/dbraw/zinc/19/53/75/277195375.db2.gz CMJVSWYXYFDGOM-CYBMUJFWSA-N 1 1 269.389 0.261 10 0 CCAEMO CC(C)=C(F)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186626937 277321023 /nfs/dbraw/zinc/32/10/23/277321023.db2.gz ZARAXUPIYPJEFR-NSHDSACASA-N 1 1 283.347 0.673 10 0 CCAEMO CC(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000408400726 277980094 /nfs/dbraw/zinc/98/00/94/277980094.db2.gz WNRQITNESIQMDJ-MGPQQGTHSA-N 1 1 284.400 0.573 10 0 CCAEMO C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261767135 278191479 /nfs/dbraw/zinc/19/14/79/278191479.db2.gz KCPHBGWUGYNNPV-MGPQQGTHSA-N 1 1 282.432 0.114 10 0 CCAEMO CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1O ZINC000365757671 278316763 /nfs/dbraw/zinc/31/67/63/278316763.db2.gz JJXPJOKFJSEEQH-ZIAGYGMSSA-N 1 1 296.411 0.859 10 0 CCAEMO CC1(C)COC[C@H]1NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000334778196 278356101 /nfs/dbraw/zinc/35/61/01/278356101.db2.gz JWEMQZPSLJLLSK-NWDGAFQWSA-N 1 1 267.373 0.901 10 0 CCAEMO CCN(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000261897473 279045509 /nfs/dbraw/zinc/04/55/09/279045509.db2.gz ABSOIHMGTDHPLV-ILXRZTDVSA-N 1 1 291.395 0.376 10 0 CCAEMO C[C@H](C1CC1)[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000248767290 279241904 /nfs/dbraw/zinc/24/19/04/279241904.db2.gz PCXCKBUCOSFUDS-DGCLKSJQSA-N 1 1 293.411 0.973 10 0 CCAEMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCO[C@@H]2C)CC1 ZINC000130701313 279286074 /nfs/dbraw/zinc/28/60/74/279286074.db2.gz MVEVYXROVPJQFT-VXGBXAGGSA-N 1 1 255.362 0.901 10 0 CCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccco2)cn1 ZINC000181361929 279347656 /nfs/dbraw/zinc/34/76/56/279347656.db2.gz MNTVFFKIKMYUAP-NSHDSACASA-N 1 1 260.297 0.800 10 0 CCAEMO CCOCCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175655841 279712932 /nfs/dbraw/zinc/71/29/32/279712932.db2.gz DEFYHGVIYBKDOA-CHWSQXEVSA-N 1 1 285.388 0.385 10 0 CCAEMO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@@H](C(N)=O)O1 ZINC000408194053 288182707 /nfs/dbraw/zinc/18/27/07/288182707.db2.gz GGYJDGSCSWVGSF-UTUOFQBUSA-N 1 1 256.346 0.520 10 0 CCAEMO CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000408397181 280097400 /nfs/dbraw/zinc/09/74/00/280097400.db2.gz TYCBVGBSADWSRK-KGLIPLIRSA-N 1 1 298.427 0.963 10 0 CCAEMO CC[C@](C)(O)C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000249299131 281292594 /nfs/dbraw/zinc/29/25/94/281292594.db2.gz BUFCGVPSIBJRKL-RDBSUJKOSA-N 1 1 256.390 0.800 10 0 CCAEMO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC000408247930 288315739 /nfs/dbraw/zinc/31/57/39/288315739.db2.gz ZHTFTMZVRZTUDC-QWRGUYRKSA-N 1 1 274.386 0.116 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC000408247930 288315741 /nfs/dbraw/zinc/31/57/41/288315741.db2.gz ZHTFTMZVRZTUDC-QWRGUYRKSA-N 1 1 274.386 0.116 10 0 CCAEMO CNC(=O)C1(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247246773 290351329 /nfs/dbraw/zinc/35/13/29/290351329.db2.gz NJLVGHNMIYTGEY-MNOVXSKESA-N 1 1 265.357 0.208 10 0 CCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc[nH]2)cn1 ZINC000181354733 294282943 /nfs/dbraw/zinc/28/29/43/294282943.db2.gz XPNKBVIEDMBMBE-LBPRGKRZSA-N 1 1 259.313 0.535 10 0 CCAEMO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC=CCC1 ZINC000392816899 329018790 /nfs/dbraw/zinc/01/87/90/329018790.db2.gz MRXGOEZSUADRHK-CHWSQXEVSA-N 1 1 251.374 0.753 10 0 CCAEMO CC[C@H]1CN(S(=O)(=O)CC)CC[N@@H+]1C[C@@H](C)O ZINC000173762695 335140343 /nfs/dbraw/zinc/14/03/43/335140343.db2.gz MURWAMKFRKUZFJ-MNOVXSKESA-N 1 1 264.391 0.113 10 0 CCAEMO CC[C@H]1CN(S(=O)(=O)CC)CC[N@H+]1C[C@@H](C)O ZINC000173762695 335140344 /nfs/dbraw/zinc/14/03/44/335140344.db2.gz MURWAMKFRKUZFJ-MNOVXSKESA-N 1 1 264.391 0.113 10 0 CCAEMO COC(=O)c1cccnc1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000385022541 336135990 /nfs/dbraw/zinc/13/59/90/336135990.db2.gz WVHVLMCJICCLMI-ZJUUUORDSA-N 1 1 250.298 0.823 10 0 CCAEMO COC(=O)c1cccnc1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000385022541 336135991 /nfs/dbraw/zinc/13/59/91/336135991.db2.gz WVHVLMCJICCLMI-ZJUUUORDSA-N 1 1 250.298 0.823 10 0 CCAEMO CC(C)[C@@H](CN(C)C)NS(=O)(=O)CCCC[NH3+] ZINC000049204904 519793646 /nfs/dbraw/zinc/79/36/46/519793646.db2.gz MHXMDXUAXPFSDP-LLVKDONJSA-N 1 1 265.423 0.231 10 0 CCAEMO CC(C)[C@H](C)NC(=O)CN[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567435 519812389 /nfs/dbraw/zinc/81/23/89/519812389.db2.gz PQUDGOGKMVLILV-RWMBFGLXSA-N 1 1 253.390 0.973 10 0 CCAEMO CC(C)[C@H](C)NC(=O)CN[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567435 519812390 /nfs/dbraw/zinc/81/23/90/519812390.db2.gz PQUDGOGKMVLILV-RWMBFGLXSA-N 1 1 253.390 0.973 10 0 CCAEMO CCN[C@H](CC[N@@H+](CC)[C@@H](C)COC)C(=O)OC ZINC000062457075 520186893 /nfs/dbraw/zinc/18/68/93/520186893.db2.gz MGJQSXUJFUNZEZ-NWDGAFQWSA-N 1 1 260.378 0.884 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000332746066 535599676 /nfs/dbraw/zinc/59/96/76/535599676.db2.gz HMXIZHDYAIKWPX-OLZOCXBDSA-N 1 1 281.400 0.893 10 0 CCAEMO CC(C)C[N@H+](CC(N)=O)Cc1cccnc1C(N)=S ZINC000061663576 519714562 /nfs/dbraw/zinc/71/45/62/519714562.db2.gz SRSCPCMXUDXGKA-UHFFFAOYSA-N 1 1 280.397 0.659 10 0 CCAEMO CC(C)C[N@@H+](CC(N)=O)Cc1cccnc1C(N)=S ZINC000061663576 519714564 /nfs/dbraw/zinc/71/45/64/519714564.db2.gz SRSCPCMXUDXGKA-UHFFFAOYSA-N 1 1 280.397 0.659 10 0 CCAEMO CC(C)C[C@@H](CN(C)C)NS(=O)(=O)CCC[NH3+] ZINC000049558380 519776104 /nfs/dbraw/zinc/77/61/04/519776104.db2.gz GTIVTBJAXYBQOS-NSHDSACASA-N 1 1 265.423 0.231 10 0 CCAEMO CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(N)=O)c1cccs1 ZINC000049546996 520746923 /nfs/dbraw/zinc/74/69/23/520746923.db2.gz IQDMEBQXFBGLCN-DTWKUNHWSA-N 1 1 269.370 0.908 10 0 CCAEMO CCOc1ccccc1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000155558689 521473473 /nfs/dbraw/zinc/47/34/73/521473473.db2.gz LENGAMJUYLMDNQ-ZDUSSCGKSA-N 1 1 278.352 0.732 10 0 CCAEMO CCN1C(=O)C[C@H](N[C@H](C[NH+](C)C)C(C)C)C1=O ZINC000049200323 521524921 /nfs/dbraw/zinc/52/49/21/521524921.db2.gz JGVNHUYLHMHLAT-WDEREUQCSA-N 1 1 255.362 0.310 10 0 CCAEMO O=C([C@H]1CCC[N@@H+]1[C@@H]1CCCSC1)N1CCNCC1 ZINC000061590667 526540580 /nfs/dbraw/zinc/54/05/80/526540580.db2.gz RAAYMDIRKDCIID-CHWSQXEVSA-N 1 1 283.441 0.778 10 0 CCAEMO O=C([C@H]1CCC[N@H+]1[C@@H]1CCCSC1)N1CCNCC1 ZINC000061590667 526540583 /nfs/dbraw/zinc/54/05/83/526540583.db2.gz RAAYMDIRKDCIID-CHWSQXEVSA-N 1 1 283.441 0.778 10 0 CCAEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CCC1 ZINC000160834389 526804500 /nfs/dbraw/zinc/80/45/00/526804500.db2.gz GHAPJLOSCBDIKH-JSGCOSHPSA-N 1 1 252.358 0.846 10 0 CCAEMO NC(=S)c1ncccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000061659842 527123310 /nfs/dbraw/zinc/12/33/10/527123310.db2.gz HVNDMKVSYVTGLC-SNVBAGLBSA-N 1 1 251.355 0.673 10 0 CCAEMO O=S(=O)(c1cn[nH]c1)N1CC[NH2+]Cc2ccccc21 ZINC000062818694 527294247 /nfs/dbraw/zinc/29/42/47/527294247.db2.gz CMWJLMRHEGSXFB-UHFFFAOYSA-N 1 1 278.337 0.708 10 0 CCAEMO COC(=O)C1([NH3+])CC(NC(=O)N[C@@H](C)C(C)C)C1 ZINC000675074233 545321059 /nfs/dbraw/zinc/32/10/59/545321059.db2.gz RVXDNMHGEYBLMK-QTZUAFFRSA-N 1 1 257.334 0.363 10 0 CCAEMO CS(=O)(=O)CCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000675296464 545324442 /nfs/dbraw/zinc/32/44/42/545324442.db2.gz FQDBARZHKJHZNQ-CYBMUJFWSA-N 1 1 274.430 0.981 10 0 CCAEMO CS(=O)(=O)CCCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000675296464 545324443 /nfs/dbraw/zinc/32/44/43/545324443.db2.gz FQDBARZHKJHZNQ-CYBMUJFWSA-N 1 1 274.430 0.981 10 0 CCAEMO O=C1NCC[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000676234686 545337859 /nfs/dbraw/zinc/33/78/59/545337859.db2.gz JLZDRDMCHBKRIR-LLVKDONJSA-N 1 1 262.309 0.826 10 0 CCAEMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2COCCN2)C1 ZINC000262678398 535819630 /nfs/dbraw/zinc/81/96/30/535819630.db2.gz USYONACQHLIRPW-ZIAGYGMSSA-N 1 1 297.443 0.992 10 0 CCAEMO C[NH2+][C@H](C(=O)Nc1ccn(CC(F)F)n1)c1cnn(C)c1 ZINC000262593393 536388129 /nfs/dbraw/zinc/38/81/29/536388129.db2.gz WRALRVLZEVWHRJ-NSHDSACASA-N 1 1 298.297 0.781 10 0 CCAEMO Cc1cnc([C@@H](C)[NH2+]CCN2C(=O)CCC2=O)o1 ZINC000680422489 545428293 /nfs/dbraw/zinc/42/82/93/545428293.db2.gz CUHRXHBZUURPJT-SECBINFHSA-N 1 1 251.286 0.783 10 0 CCAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000252442020 536860863 /nfs/dbraw/zinc/86/08/63/536860863.db2.gz GBGPSXMXHKZTPO-MJBXVCDLSA-N 1 1 299.415 0.964 10 0 CCAEMO CCc1nnc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)s1 ZINC000685045367 545791830 /nfs/dbraw/zinc/79/18/30/545791830.db2.gz QSMFDJKHGKTQMU-HTQZYQBOSA-N 1 1 254.359 0.857 10 0 CCAEMO COc1ccc(CNC2CC[NH+](CCO)CC2)cn1 ZINC000399113999 581207486 /nfs/dbraw/zinc/20/74/86/581207486.db2.gz FJCGIEFSMWWNFK-UHFFFAOYSA-N 1 1 265.357 0.637 10 0 CCAEMO CC[N@H+](CCS(C)(=O)=O)C[C@@H](O)COC(C)(C)C ZINC000154246643 615059053 /nfs/dbraw/zinc/05/90/53/615059053.db2.gz RVINCANMNKCXHT-LLVKDONJSA-N 1 1 281.418 0.529 10 0 CCAEMO CC[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COC(C)(C)C ZINC000154246643 615059055 /nfs/dbraw/zinc/05/90/55/615059055.db2.gz RVINCANMNKCXHT-LLVKDONJSA-N 1 1 281.418 0.529 10 0 CCAEMO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C)C[C@H](O)CN1C ZINC000900378407 614214481 /nfs/dbraw/zinc/21/44/81/614214481.db2.gz QUGJBPGQRAYGAF-IPYPFGDCSA-N 1 1 285.432 0.534 10 0 CCAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c[nH]nc2C)C1 ZINC000040503725 615130334 /nfs/dbraw/zinc/13/03/34/615130334.db2.gz RARFYSKMUOXXMS-SNVBAGLBSA-N 1 1 272.374 0.481 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c[nH]nc2C)C1 ZINC000040503725 615130336 /nfs/dbraw/zinc/13/03/36/615130336.db2.gz RARFYSKMUOXXMS-SNVBAGLBSA-N 1 1 272.374 0.481 10 0 CCAEMO CC[C@H]1CN(CC(OC)OC)CC[N@H+]1C[C@@H](C)O ZINC000136761049 615911841 /nfs/dbraw/zinc/91/18/41/615911841.db2.gz CZUOGSLHGIEFFV-NEPJUHHUSA-N 1 1 260.378 0.382 10 0 CCAEMO COC1(OC)CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000911020513 616463611 /nfs/dbraw/zinc/46/36/11/616463611.db2.gz UMPHKICGKPRWSU-VXGBXAGGSA-N 1 1 284.356 0.117 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)[N@H+](C)C1 ZINC000912003572 617118072 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ZEOJIMLMIOGNLM-WDEREUQCSA-N 1 1 272.414 0.796 10 0 CCAEMO CSC1(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000188659155 351614630 /nfs/dbraw/zinc/61/46/30/351614630.db2.gz ZEOJIMLMIOGNLM-WDEREUQCSA-N 1 1 272.414 0.796 10 0 CCAEMO CCOC(=O)CCCC[N@H+]1CCCNC(=O)[C@H]1C ZINC000189265645 351663116 /nfs/dbraw/zinc/66/31/16/351663116.db2.gz MUNBSVDAJWQIGH-LLVKDONJSA-N 1 1 256.346 0.930 10 0 CCAEMO COC(=O)[C@H](C)[N@H+](C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC000190091083 351709978 /nfs/dbraw/zinc/70/99/78/351709978.db2.gz FQBMTSPCDBVEMB-WCQYABFASA-N 1 1 298.383 0.386 10 0 CCAEMO COC(=O)[C@H](C)[N@@H+](C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC000190091083 351709982 /nfs/dbraw/zinc/70/99/82/351709982.db2.gz FQBMTSPCDBVEMB-WCQYABFASA-N 1 1 298.383 0.386 10 0 CCAEMO C[C@H]1C(=O)NCCCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000191449102 351758746 /nfs/dbraw/zinc/75/87/46/351758746.db2.gz OBEPXXBAGRERRH-RYUDHWBXSA-N 1 1 294.399 0.391 10 0 CCAEMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C(=O)N(C)C ZINC000191811528 351773528 /nfs/dbraw/zinc/77/35/28/351773528.db2.gz DHVZCQSZXVCZLF-QWRGUYRKSA-N 1 1 255.362 0.454 10 0 CCAEMO CCS(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000193560386 351832687 /nfs/dbraw/zinc/83/26/87/351832687.db2.gz XGHAJLVNQDMHEW-NSHDSACASA-N 1 1 276.402 0.521 10 0 CCAEMO CCS(=O)(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000193560386 351832688 /nfs/dbraw/zinc/83/26/88/351832688.db2.gz XGHAJLVNQDMHEW-NSHDSACASA-N 1 1 276.402 0.521 10 0 CCAEMO O=C(c1c[nH]c(=S)[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000193067699 351809945 /nfs/dbraw/zinc/80/99/45/351809945.db2.gz OXWHUJCOYOZBSQ-QMMMGPOBSA-N 1 1 252.343 0.619 10 0 CCAEMO COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000123338756 187085858 /nfs/dbraw/zinc/08/58/58/187085858.db2.gz PSKLXIDZIIPPJE-QWHCGFSZSA-N 1 1 287.404 0.821 10 0 CCAEMO CCOC(=O)NCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195330614 351909588 /nfs/dbraw/zinc/90/95/88/351909588.db2.gz CROHLWXZAIKVCB-JTQLQIEISA-N 1 1 255.318 0.039 10 0 CCAEMO CCOC(=O)NCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195330755 351909815 /nfs/dbraw/zinc/90/98/15/351909815.db2.gz MMLFSWOUHWXYSR-LLVKDONJSA-N 1 1 269.345 0.429 10 0 CCAEMO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503432 351915456 /nfs/dbraw/zinc/91/54/56/351915456.db2.gz IWEOOWWVQPBGTP-SNVBAGLBSA-N 1 1 293.371 0.444 10 0 CCAEMO C[N@H+]1CCC[C@H]2CN(C(=O)C3=NNC(=O)CC3)CC[C@H]21 ZINC000227345837 352044863 /nfs/dbraw/zinc/04/48/63/352044863.db2.gz PUEDTYHOJPIDIX-CMPLNLGQSA-N 1 1 278.356 0.195 10 0 CCAEMO CC1(C)NC(=O)N(CC[N@H+]2CC[C@H](CCO)C2)C1=O ZINC000227572822 352054819 /nfs/dbraw/zinc/05/48/19/352054819.db2.gz NUOKNSQUCYWVJX-SNVBAGLBSA-N 1 1 269.345 0.021 10 0 CCAEMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](CCO)C2)C1 ZINC000228074123 352066544 /nfs/dbraw/zinc/06/65/44/352066544.db2.gz JDEWDMHGJGERAJ-STQMWFEESA-N 1 1 290.429 0.362 10 0 CCAEMO COc1c(CNCCOCC[NH+](C)C)c(C)nn1C ZINC000230004663 352100191 /nfs/dbraw/zinc/10/01/91/352100191.db2.gz RZPIQWKCOQDBTI-UHFFFAOYSA-N 1 1 270.377 0.405 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(NC)cn2)C1 ZINC000230099500 352102769 /nfs/dbraw/zinc/10/27/69/352102769.db2.gz FLEQTVHBYNOHRC-SNVBAGLBSA-N 1 1 263.345 0.732 10 0 CCAEMO CC(C)CN(CC(C)C)C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232563460 352145416 /nfs/dbraw/zinc/14/54/16/352145416.db2.gz JYGJVWPTEAUYRB-CHWSQXEVSA-N 1 1 272.389 0.164 10 0 CCAEMO CO[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000237077295 352241298 /nfs/dbraw/zinc/24/12/98/352241298.db2.gz IWWHEKPBWWLYEF-OLZOCXBDSA-N 1 1 282.315 0.618 10 0 CCAEMO COCC[N@@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1CO ZINC000246182825 352352755 /nfs/dbraw/zinc/35/27/55/352352755.db2.gz KPQOAEFMTOUDCC-STQMWFEESA-N 1 1 287.404 0.415 10 0 CCAEMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccncc2)C1 ZINC000245418235 352321988 /nfs/dbraw/zinc/32/19/88/352321988.db2.gz ANCKWYJVPBPGFC-YPMHNXCESA-N 1 1 263.341 0.980 10 0 CCAEMO CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccncc2)C1 ZINC000245418235 352321994 /nfs/dbraw/zinc/32/19/94/352321994.db2.gz ANCKWYJVPBPGFC-YPMHNXCESA-N 1 1 263.341 0.980 10 0 CCAEMO CCCCOC(=O)CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246153282 352350756 /nfs/dbraw/zinc/35/07/56/352350756.db2.gz PKWIDIVDGJJEGX-KGLIPLIRSA-N 1 1 284.400 0.982 10 0 CCAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000246334026 352361334 /nfs/dbraw/zinc/36/13/34/352361334.db2.gz GLWXPCZCMXIUQC-WCQYABFASA-N 1 1 290.367 0.865 10 0 CCAEMO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC000246574244 352373920 /nfs/dbraw/zinc/37/39/20/352373920.db2.gz ZMALIEAJUMBBPG-MCIONIFRSA-N 1 1 298.431 0.441 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)C[C@H]1C ZINC000247118030 352400315 /nfs/dbraw/zinc/40/03/15/352400315.db2.gz NUXNCLRVRMSPNG-MCIONIFRSA-N 1 1 299.415 0.916 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)C[C@H]1C ZINC000247118030 352400317 /nfs/dbraw/zinc/40/03/17/352400317.db2.gz NUXNCLRVRMSPNG-MCIONIFRSA-N 1 1 299.415 0.916 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccn2C)C[C@@H]1C ZINC000246861653 352386081 /nfs/dbraw/zinc/38/60/81/352386081.db2.gz VOOJNBJFQHRCEV-RYUDHWBXSA-N 1 1 265.357 0.552 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cccn2C)C[C@@H]1C ZINC000246861653 352386085 /nfs/dbraw/zinc/38/60/85/352386085.db2.gz VOOJNBJFQHRCEV-RYUDHWBXSA-N 1 1 265.357 0.552 10 0 CCAEMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000246993128 352391690 /nfs/dbraw/zinc/39/16/90/352391690.db2.gz LMEGDFDOZFUYMV-HHHGZCDHSA-N 1 1 296.411 0.763 10 0 CCAEMO C[C@@H](Sc1nncn1C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247068997 352396238 /nfs/dbraw/zinc/39/62/38/352396238.db2.gz GJVPFSWYFVGPMX-MNOVXSKESA-N 1 1 295.412 0.602 10 0 CCAEMO C[C@H](Sc1nncn1C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247069020 352396802 /nfs/dbraw/zinc/39/68/02/352396802.db2.gz GJVPFSWYFVGPMX-QWRGUYRKSA-N 1 1 295.412 0.602 10 0 CCAEMO CCCNC(=O)NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247070486 352396817 /nfs/dbraw/zinc/39/68/17/352396817.db2.gz HNTCZVUTFALBNM-VXGBXAGGSA-N 1 1 282.388 0.391 10 0 CCAEMO CC[C@H]1CN(CC(=O)NCC2CCC2)CC[N@H+]1C[C@H](C)O ZINC000246283387 352358961 /nfs/dbraw/zinc/35/89/61/352358961.db2.gz SVPMZBNCMITFLB-ZFWWWQNUSA-N 1 1 297.443 0.680 10 0 CCAEMO CCCNC(=O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247383082 352412135 /nfs/dbraw/zinc/41/21/35/352412135.db2.gz WCOHNBUUJVJHQV-LBPRGKRZSA-N 1 1 257.378 0.165 10 0 CCAEMO CCCNC(=O)CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000247383082 352412137 /nfs/dbraw/zinc/41/21/37/352412137.db2.gz WCOHNBUUJVJHQV-LBPRGKRZSA-N 1 1 257.378 0.165 10 0 CCAEMO C[C@H]1C[N@@H+](C[C@@H](O)CN2CCCC2=O)CCCO1 ZINC000247471367 352415679 /nfs/dbraw/zinc/41/56/79/352415679.db2.gz HBAFHGSKMOKXOF-NWDGAFQWSA-N 1 1 256.346 0.081 10 0 CCAEMO O=C1CNC(=O)N1CCC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000248172152 352433622 /nfs/dbraw/zinc/43/36/22/352433622.db2.gz UZFOBLPISCLHQB-IUODEOHRSA-N 1 1 295.383 0.555 10 0 CCAEMO CCS(=O)(=O)NCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247134705 352401861 /nfs/dbraw/zinc/40/18/61/352401861.db2.gz JNJBBGBPLLRMQY-VXGBXAGGSA-N 1 1 275.418 0.094 10 0 CCAEMO COCCCS(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247183993 352402683 /nfs/dbraw/zinc/40/26/83/352402683.db2.gz SIIFTMBRFMGGGT-NWDGAFQWSA-N 1 1 278.418 0.671 10 0 CCAEMO O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247221333 352404774 /nfs/dbraw/zinc/40/47/74/352404774.db2.gz WEUSDBZDUKRPMA-SJORKVTESA-N 1 1 290.407 0.997 10 0 CCAEMO CCNC(=O)CCN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247248876 352406206 /nfs/dbraw/zinc/40/62/06/352406206.db2.gz TVLISGAGHMDVGS-QWHCGFSZSA-N 1 1 271.405 0.290 10 0 CCAEMO CCNC(=O)CC[N@@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247248876 352406210 /nfs/dbraw/zinc/40/62/10/352406210.db2.gz TVLISGAGHMDVGS-QWHCGFSZSA-N 1 1 271.405 0.290 10 0 CCAEMO CCNC(=O)CC[N@H+]1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247248876 352406215 /nfs/dbraw/zinc/40/62/15/352406215.db2.gz TVLISGAGHMDVGS-QWHCGFSZSA-N 1 1 271.405 0.290 10 0 CCAEMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@](C)(O)C(C)C)C1 ZINC000248556046 352445823 /nfs/dbraw/zinc/44/58/23/352445823.db2.gz KQVKHFZZAIXGJM-VXGBXAGGSA-N 1 1 278.418 0.407 10 0 CCAEMO COCc1nc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)no1 ZINC000248586385 352447371 /nfs/dbraw/zinc/44/73/71/352447371.db2.gz RAYQDYOEQQZRBA-QWRGUYRKSA-N 1 1 284.360 0.103 10 0 CCAEMO C[C@H]1C[N@@H+](CCC2OCCO2)C[C@H]1N1CCOCC1 ZINC000248602077 352447963 /nfs/dbraw/zinc/44/79/63/352447963.db2.gz DBTIBYJTDBKYCX-QWHCGFSZSA-N 1 1 270.373 0.402 10 0 CCAEMO C[C@H]1CN(Cc2ncccn2)C[C@H]1[NH+]1CCOCC1 ZINC000248829848 352461336 /nfs/dbraw/zinc/46/13/36/352461336.db2.gz IALJLJNURJFJII-QWHCGFSZSA-N 1 1 262.357 0.629 10 0 CCAEMO CO[C@H](C)[C@H](C)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000248837108 352462492 /nfs/dbraw/zinc/46/24/92/352462492.db2.gz MRVHXGHHVYBUPK-TUAOUCFPSA-N 1 1 255.362 0.899 10 0 CCAEMO CSC[C@H](O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000249469473 352492363 /nfs/dbraw/zinc/49/23/63/352492363.db2.gz RPBNMLJXTUUTEC-CMPLNLGQSA-N 1 1 255.387 0.933 10 0 CCAEMO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000248955449 352469449 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O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000117100925 644752280 /nfs/dbraw/zinc/75/22/80/644752280.db2.gz QVFPANHLORTJRB-KGLIPLIRSA-N 1 1 288.347 0.940 10 0 CCAEMO Cc1c(C[N@H+]2CCC[C@@](O)(c3cn[nH]n3)C2)cnn1C ZINC000886066061 647896475 /nfs/dbraw/zinc/89/64/75/647896475.db2.gz UFQLWUQCUYSCQB-ZDUSSCGKSA-N 1 1 276.344 0.330 10 0 CCAEMO Cc1c(C[N@@H+]2CCC[C@@](O)(c3c[nH]nn3)C2)cnn1C ZINC000886066061 647896478 /nfs/dbraw/zinc/89/64/78/647896478.db2.gz UFQLWUQCUYSCQB-ZDUSSCGKSA-N 1 1 276.344 0.330 10 0 CCAEMO Cc1c(C[N@H+]2CCC[C@@](O)(c3c[nH]nn3)C2)cnn1C ZINC000886066061 647896481 /nfs/dbraw/zinc/89/64/81/647896481.db2.gz UFQLWUQCUYSCQB-ZDUSSCGKSA-N 1 1 276.344 0.330 10 0 CCAEMO Cc1noc(C[C@@]2(O)CCC[N@@H+](CCc3cn[nH]c3)C2)n1 ZINC000886079372 647897700 /nfs/dbraw/zinc/89/77/00/647897700.db2.gz JLGJUMQLGWWQHS-AWEZNQCLSA-N 1 1 291.355 0.713 10 0 CCAEMO O=C1NCC[C@H]1[N@@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931119348 648946990 /nfs/dbraw/zinc/94/69/90/648946990.db2.gz FRLVEOLIULMXGE-CMPLNLGQSA-N 1 1 261.329 0.291 10 0 CCAEMO O=C1NCC[C@H]1[N@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931119348 648946993 /nfs/dbraw/zinc/94/69/93/648946993.db2.gz FRLVEOLIULMXGE-CMPLNLGQSA-N 1 1 261.329 0.291 10 0 CCAEMO COC[C@]1(C)CC(=O)N(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000245422168 649642118 /nfs/dbraw/zinc/64/21/18/649642118.db2.gz PDPRHWCTJOCWJH-OFQRWUPVSA-N 1 1 295.427 0.997 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C2=COCCC2)C[C@H]1C ZINC000246630649 649682625 /nfs/dbraw/zinc/68/26/25/649682625.db2.gz DWWNYIONMLRUBC-NEPJUHHUSA-N 1 1 268.357 0.594 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC000246917335 649694659 /nfs/dbraw/zinc/69/46/59/649694659.db2.gz GDIOQDPLYFZLRV-NWDGAFQWSA-N 1 1 268.357 0.882 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H]2CCCOC2)C[C@@H]1C ZINC000249084633 649740636 /nfs/dbraw/zinc/74/06/36/649740636.db2.gz IIPUPDCPSNOMQU-IHRRRGAJSA-N 1 1 284.400 0.717 10 0 CCAEMO C[C@H](O)CN1CCN(C(=O)CCCCC[NH3+])C[C@H]1C ZINC000249092322 649740713 /nfs/dbraw/zinc/74/07/13/649740713.db2.gz WLLOQVZLVFHLJG-OLZOCXBDSA-N 1 1 271.405 0.419 10 0 CCAEMO [NH3+]Cc1nc(-c2nc([C@@H]3CN4CCN3CC4)no2)cs1 ZINC000094506452 649743896 /nfs/dbraw/zinc/74/38/96/649743896.db2.gz ZIJDPVGSYNLTFS-VIFPVBQESA-N 1 1 292.368 0.324 10 0 CCAEMO C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C(=O)[O-] ZINC000693435146 968931858 /nfs/dbraw/zinc/93/18/58/968931858.db2.gz NPZHPIBPQDJHMU-AGIUHOORSA-N 1 1 270.373 0.486 10 0 CCAEMO C[C@@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523539 969048037 /nfs/dbraw/zinc/04/80/37/969048037.db2.gz WBSCSVXWOMVTJL-RAIGVLPGSA-N 1 1 270.373 0.484 10 0 CCAEMO C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523539 969048046 /nfs/dbraw/zinc/04/80/46/969048046.db2.gz WBSCSVXWOMVTJL-RAIGVLPGSA-N 1 1 270.373 0.484 10 0 CCAEMO C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523539 969048056 /nfs/dbraw/zinc/04/80/56/969048056.db2.gz WBSCSVXWOMVTJL-RAIGVLPGSA-N 1 1 270.373 0.484 10 0 CCAEMO C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523539 969048066 /nfs/dbraw/zinc/04/80/66/969048066.db2.gz WBSCSVXWOMVTJL-RAIGVLPGSA-N 1 1 270.373 0.484 10 0 CCAEMO C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523539 969048075 /nfs/dbraw/zinc/04/80/75/969048075.db2.gz WBSCSVXWOMVTJL-RAIGVLPGSA-N 1 1 270.373 0.484 10 0 CCAEMO CO[C@@]1(C(=O)[O-])CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000692470532 976497937 /nfs/dbraw/zinc/49/79/37/976497937.db2.gz AIZGQGVZNNZHAB-YPMHNXCESA-N 1 1 256.346 0.646 10 0 CCAEMO CO[C@@]1(C(=O)[O-])CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000692470532 976497944 /nfs/dbraw/zinc/49/79/44/976497944.db2.gz AIZGQGVZNNZHAB-YPMHNXCESA-N 1 1 256.346 0.646 10 0 CCAEMO CO[C@@]1(C(=O)[O-])CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000692470532 976497950 /nfs/dbraw/zinc/49/79/50/976497950.db2.gz AIZGQGVZNNZHAB-YPMHNXCESA-N 1 1 256.346 0.646 10 0 CCAEMO COCCO[C@@H]1C[C@H]2CN(Cc3cnn(C)c3)CC[N@H+]2C1 ZINC000096063746 185084847 /nfs/dbraw/zinc/08/48/47/185084847.db2.gz GHOVDAOHUJUXFL-LSDHHAIUSA-N 1 1 294.399 0.342 10 0 CCAEMO C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1O ZINC000093332578 349538251 /nfs/dbraw/zinc/53/82/51/349538251.db2.gz NPUZMOVWWNELTK-ZJUUUORDSA-N 1 1 271.361 0.313 10 0 CCAEMO C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1O ZINC000093332578 349538254 /nfs/dbraw/zinc/53/82/54/349538254.db2.gz NPUZMOVWWNELTK-ZJUUUORDSA-N 1 1 271.361 0.313 10 0 CCAEMO CN(C)S(=O)(=O)CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000311393610 282157410 /nfs/dbraw/zinc/15/74/10/282157410.db2.gz BHHNKWWVHZKGKO-CHWSQXEVSA-N 1 1 290.429 0.505 10 0 CCAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000101563681 349664584 /nfs/dbraw/zinc/66/45/84/349664584.db2.gz CVWKFTFSMDTSMS-GFCCVEGCSA-N 1 1 295.383 0.516 10 0 CCAEMO CC(C)NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804545 349725116 /nfs/dbraw/zinc/72/51/16/349725116.db2.gz XXQWRUAOLPXRIC-UHFFFAOYSA-N 1 1 277.372 0.878 10 0 CCAEMO CCCNC(=O)CN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105869064 349726766 /nfs/dbraw/zinc/72/67/66/349726766.db2.gz CHRYPSPHZYTQKJ-UHFFFAOYSA-N 1 1 293.415 0.454 10 0 CCAEMO CCCNC(=O)CN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000105869064 349726767 /nfs/dbraw/zinc/72/67/67/349726767.db2.gz CHRYPSPHZYTQKJ-UHFFFAOYSA-N 1 1 293.415 0.454 10 0 CCAEMO CCCNC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869064 349726768 /nfs/dbraw/zinc/72/67/68/349726768.db2.gz CHRYPSPHZYTQKJ-UHFFFAOYSA-N 1 1 293.415 0.454 10 0 CCAEMO CCCNC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105869064 349726769 /nfs/dbraw/zinc/72/67/69/349726769.db2.gz CHRYPSPHZYTQKJ-UHFFFAOYSA-N 1 1 293.415 0.454 10 0 CCAEMO CN(C(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1)C1CC1 ZINC000105899159 349727989 /nfs/dbraw/zinc/72/79/89/349727989.db2.gz FKRWBUJPKUKBSJ-GFCCVEGCSA-N 1 1 263.345 0.536 10 0 CCAEMO CN(C(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1)C1CC1 ZINC000105899159 349727992 /nfs/dbraw/zinc/72/79/92/349727992.db2.gz FKRWBUJPKUKBSJ-GFCCVEGCSA-N 1 1 263.345 0.536 10 0 CCAEMO Cc1nc(CN2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)no1 ZINC000105916994 349728834 /nfs/dbraw/zinc/72/88/34/349728834.db2.gz GHVFIDSPAUQLOL-NSHDSACASA-N 1 1 295.387 0.362 10 0 CCAEMO Cc1nc(CN2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)no1 ZINC000105916994 349728836 /nfs/dbraw/zinc/72/88/36/349728836.db2.gz GHVFIDSPAUQLOL-NSHDSACASA-N 1 1 295.387 0.362 10 0 CCAEMO CC(=O)CCN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106124097 349729940 /nfs/dbraw/zinc/72/99/40/349729940.db2.gz ZWKNYTUWMIDPGO-MRXNPFEDSA-N 1 1 297.443 0.692 10 0 CCAEMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)S(C)(=O)=O ZINC000106789588 349732443 /nfs/dbraw/zinc/73/24/43/349732443.db2.gz XPBOVSPUCWYAFC-QWRGUYRKSA-N 1 1 288.413 0.553 10 0 CCAEMO C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)S(C)(=O)=O ZINC000106789588 349732446 /nfs/dbraw/zinc/73/24/46/349732446.db2.gz XPBOVSPUCWYAFC-QWRGUYRKSA-N 1 1 288.413 0.553 10 0 CCAEMO CC1(C)COCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000111685154 349775457 /nfs/dbraw/zinc/77/54/57/349775457.db2.gz 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O[C@@H](C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)C(F)(F)F ZINC000407966881 357843259 /nfs/dbraw/zinc/84/32/59/357843259.db2.gz ZXAQAIFJTUIZRK-DBIOUOCHSA-N 1 1 283.290 0.771 10 0 CCAEMO CCC1(O)CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000408038378 357880581 /nfs/dbraw/zinc/88/05/81/357880581.db2.gz LFYAALZSRXRLAV-RYUDHWBXSA-N 1 1 270.373 0.469 10 0 CCAEMO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408042653 357883365 /nfs/dbraw/zinc/88/33/65/357883365.db2.gz MEELBDVDUMGFJC-KKOKHZNYSA-N 1 1 282.388 0.388 10 0 CCAEMO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408042653 357883368 /nfs/dbraw/zinc/88/33/68/357883368.db2.gz MEELBDVDUMGFJC-KKOKHZNYSA-N 1 1 282.388 0.388 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2CO)[N@H+](C)C1 ZINC000408046780 357886135 /nfs/dbraw/zinc/88/61/35/357886135.db2.gz XYUOURKALXVZQT-RVMXOQNASA-N 1 1 270.373 0.373 10 0 CCAEMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2CO)[N@@H+](C)C1 ZINC000408046780 357886138 /nfs/dbraw/zinc/88/61/38/357886138.db2.gz XYUOURKALXVZQT-RVMXOQNASA-N 1 1 270.373 0.373 10 0 CCAEMO C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048184 357888432 /nfs/dbraw/zinc/88/84/32/357888432.db2.gz LRDFIANRLPWPHP-NQBHXWOUSA-N 1 1 281.400 0.877 10 0 CCAEMO CCn1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)nc1C ZINC000408061420 357895778 /nfs/dbraw/zinc/89/57/78/357895778.db2.gz WEVRNEBISFXCSR-GFCCVEGCSA-N 1 1 298.412 0.680 10 0 CCAEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000408114189 357924613 /nfs/dbraw/zinc/92/46/13/357924613.db2.gz WIJYTDJNTFRSEA-NSHDSACASA-N 1 1 286.339 0.438 10 0 CCAEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000408114189 357924615 /nfs/dbraw/zinc/92/46/15/357924615.db2.gz WIJYTDJNTFRSEA-NSHDSACASA-N 1 1 286.339 0.438 10 0 CCAEMO CC(C)n1nnnc1CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000408067920 357899451 /nfs/dbraw/zinc/89/94/51/357899451.db2.gz FWRDEHZLDUUTPC-QWRGUYRKSA-N 1 1 252.366 0.778 10 0 CCAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000408110068 357922807 /nfs/dbraw/zinc/92/28/07/357922807.db2.gz KRWDNUAESRSGCF-OLZOCXBDSA-N 1 1 270.373 0.471 10 0 CCAEMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000408128393 357929335 /nfs/dbraw/zinc/92/93/35/357929335.db2.gz JKCFDRZNYPRUSA-GHMZBOCLSA-N 1 1 253.346 0.256 10 0 CCAEMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2[C@@H](C)C2(F)F)CC1 ZINC000408231723 357983935 /nfs/dbraw/zinc/98/39/35/357983935.db2.gz OWQZCSPXTCRXHD-KCJUWKMLSA-N 1 1 289.326 0.214 10 0 CCAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccnn2C)C1 ZINC000408239731 357987254 /nfs/dbraw/zinc/98/72/54/357987254.db2.gz BSPWBGPLMSKZNL-SNVBAGLBSA-N 1 1 272.374 0.183 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccnn2C)C1 ZINC000408239731 357987255 /nfs/dbraw/zinc/98/72/55/357987255.db2.gz BSPWBGPLMSKZNL-SNVBAGLBSA-N 1 1 272.374 0.183 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000408251994 357993305 /nfs/dbraw/zinc/99/33/05/357993305.db2.gz KPDQGQJJZSAIFC-AVGNSLFASA-N 1 1 269.389 0.931 10 0 CCAEMO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000408258633 357996187 /nfs/dbraw/zinc/99/61/87/357996187.db2.gz ZDGAGNHQWNKZNJ-STQMWFEESA-N 1 1 296.415 0.781 10 0 CCAEMO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000408258633 357996189 /nfs/dbraw/zinc/99/61/89/357996189.db2.gz ZDGAGNHQWNKZNJ-STQMWFEESA-N 1 1 296.415 0.781 10 0 CCAEMO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]21)C(=O)N(C)C ZINC000408290629 358013363 /nfs/dbraw/zinc/01/33/63/358013363.db2.gz KNIDEMQCGLEDIW-GARJFASQSA-N 1 1 253.346 0.064 10 0 CCAEMO C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]21)C(=O)N(C)C ZINC000408290629 358013366 /nfs/dbraw/zinc/01/33/66/358013366.db2.gz KNIDEMQCGLEDIW-GARJFASQSA-N 1 1 253.346 0.064 10 0 CCAEMO COC1CCN(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000408392883 358070082 /nfs/dbraw/zinc/07/00/82/358070082.db2.gz IESGBZJHPJDIOY-CHWSQXEVSA-N 1 1 299.415 0.604 10 0 CCAEMO COC1CCN(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000408392883 358070087 /nfs/dbraw/zinc/07/00/87/358070087.db2.gz IESGBZJHPJDIOY-CHWSQXEVSA-N 1 1 299.415 0.604 10 0 CCAEMO Cc1cnc([C@H](C)[N@H+]2CCC[C@](O)(C(N)=O)C2)cn1 ZINC000408379535 358062931 /nfs/dbraw/zinc/06/29/31/358062931.db2.gz LRUBKCOLCBQYGP-GXFFZTMASA-N 1 1 264.329 0.158 10 0 CCAEMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000408414010 358081217 /nfs/dbraw/zinc/08/12/17/358081217.db2.gz DSWFYBRNFKELSL-CHWSQXEVSA-N 1 1 290.429 0.815 10 0 CCAEMO CC[C@H]1CC[C@@H](C(=O)N2CC[NH+](C[C@@H](C)O)CC2)O1 ZINC000408439011 358094061 /nfs/dbraw/zinc/09/40/61/358094061.db2.gz MULXMTAMDRRRMO-AGIUHOORSA-N 1 1 270.373 0.469 10 0 CCAEMO Cc1noc([C@H]2COCCN2C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000329192454 202225713 /nfs/dbraw/zinc/22/57/13/202225713.db2.gz QWDDAEUBGLFFIT-WDEREUQCSA-N 1 1 280.328 0.372 10 0 CCAEMO Cc1noc([C@H]2COCCN2C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000329192454 202225715 /nfs/dbraw/zinc/22/57/15/202225715.db2.gz QWDDAEUBGLFFIT-WDEREUQCSA-N 1 1 280.328 0.372 10 0 CCAEMO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408190501 283347506 /nfs/dbraw/zinc/34/75/06/283347506.db2.gz ZKRGYMMOMTZDHX-JTQLQIEISA-N 1 1 297.277 0.221 10 0 CCAEMO CCO[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261752548 535424025 /nfs/dbraw/zinc/42/40/25/535424025.db2.gz NNMKFWOKIOQFGN-BFHYXJOUSA-N 1 1 275.352 0.980 10 0 CCAEMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CC(F)(F)CN1 ZINC000569602932 358778535 /nfs/dbraw/zinc/77/85/35/358778535.db2.gz SHCYDKMKZPXGQZ-JTQLQIEISA-N 1 1 259.300 0.362 10 0 CCAEMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000571044241 358905624 /nfs/dbraw/zinc/90/56/24/358905624.db2.gz SBJQSCHWRVZYCE-GHMZBOCLSA-N 1 1 275.343 0.830 10 0 CCAEMO Cn1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000177397630 189047371 /nfs/dbraw/zinc/04/73/71/189047371.db2.gz WBQUYMVPKUWDMK-NSHDSACASA-N 1 1 291.355 0.055 10 0 CCAEMO Cn1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000177397630 189047372 /nfs/dbraw/zinc/04/73/72/189047372.db2.gz WBQUYMVPKUWDMK-NSHDSACASA-N 1 1 291.355 0.055 10 0 CCAEMO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000167397610 296015841 /nfs/dbraw/zinc/01/58/41/296015841.db2.gz VMXTVXHCSWDBRA-KGLIPLIRSA-N 1 1 281.400 0.309 10 0 CCAEMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)NCc1cccnc1 ZINC000177765071 189068122 /nfs/dbraw/zinc/06/81/22/189068122.db2.gz BRVNNIJZHDNHBP-OAHLLOKOSA-N 1 1 288.395 0.868 10 0 CCAEMO COC(=O)[C@@H](C)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174878521 291234196 /nfs/dbraw/zinc/23/41/96/291234196.db2.gz XRJPBHLTWUIKHI-KGLIPLIRSA-N 1 1 283.416 0.650 10 0 CCAEMO CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1c1c[nH]nn1 ZINC000621316272 366725969 /nfs/dbraw/zinc/72/59/69/366725969.db2.gz LZHNFISLMVTHDW-CMPLNLGQSA-N 1 1 296.762 0.769 10 0 CCAEMO CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1c1c[nH]nn1 ZINC000621316272 366725977 /nfs/dbraw/zinc/72/59/77/366725977.db2.gz LZHNFISLMVTHDW-CMPLNLGQSA-N 1 1 296.762 0.769 10 0 CCAEMO O=C1NC[C@@H](C[N@H+]2CCC[C@H](C3OCCO3)C2)O1 ZINC000495785805 239346160 /nfs/dbraw/zinc/34/61/60/239346160.db2.gz KCNKEKMYHQCHJB-UWVGGRQHSA-N 1 1 256.302 0.180 10 0 CCAEMO COCCCNC(=O)[C@H](C)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841382 370708081 /nfs/dbraw/zinc/70/80/81/370708081.db2.gz JZMJHOKDKMBFFB-SRVKXCTJSA-N 1 1 257.378 0.054 10 0 CCAEMO C[N@H+]1CCCC12CCN(C(=O)[C@H]1CNC(=O)C1)CC2 ZINC000335645487 212362905 /nfs/dbraw/zinc/36/29/05/212362905.db2.gz DYKMRBNQFFDTCB-LLVKDONJSA-N 1 1 265.357 0.209 10 0 CCAEMO OCCc1ccccc1[C@H]1COCC[N@H+](CCO)C1 ZINC000616661638 365414391 /nfs/dbraw/zinc/41/43/91/365414391.db2.gz VUDBWWNKEBPREE-CQSZACIVSA-N 1 1 265.353 0.630 10 0 CCAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@H](O)CC1 ZINC000616665264 365417642 /nfs/dbraw/zinc/41/76/42/365417642.db2.gz DYILXVTYEGBTQJ-JTQLQIEISA-N 1 1 260.334 0.552 10 0 CCAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](O)CC1 ZINC000616665264 365417647 /nfs/dbraw/zinc/41/76/47/365417647.db2.gz DYILXVTYEGBTQJ-JTQLQIEISA-N 1 1 260.334 0.552 10 0 CCAEMO CC(=O)Nc1cccc([C@H]2C[N@H+](CCO)CCN2)c1 ZINC000616632387 365392019 /nfs/dbraw/zinc/39/20/19/365392019.db2.gz PCSSXUFMLIVTCV-CQSZACIVSA-N 1 1 263.341 0.584 10 0 CCAEMO CC(=O)Nc1cccc([C@H]2C[N@@H+](CCO)CCN2)c1 ZINC000616632387 365392025 /nfs/dbraw/zinc/39/20/25/365392025.db2.gz PCSSXUFMLIVTCV-CQSZACIVSA-N 1 1 263.341 0.584 10 0 CCAEMO CC(C)(C)OC(=O)NCCN1CC[NH2+][C@H](c2ncc[nH]2)C1 ZINC000616633939 365393766 /nfs/dbraw/zinc/39/37/66/365393766.db2.gz HRSYVJMMRVBSGV-NSHDSACASA-N 1 1 295.387 0.881 10 0 CCAEMO CNc1cccc([C@H]2C[NH2+]CCN2S(C)(=O)=O)c1 ZINC000616638859 365399223 /nfs/dbraw/zinc/39/92/23/365399223.db2.gz JNANMCGOKLKNRF-GFCCVEGCSA-N 1 1 269.370 0.634 10 0 CCAEMO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000616655019 365410877 /nfs/dbraw/zinc/41/08/77/365410877.db2.gz RLPUFQDWXYGNQH-SNVBAGLBSA-N 1 1 275.761 0.490 10 0 CCAEMO C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000625740628 368314280 /nfs/dbraw/zinc/31/42/80/368314280.db2.gz VZNWJSAXWUGLHI-KXNHARMFSA-N 1 1 256.346 0.376 10 0 CCAEMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cnn1 ZINC000276432123 193328833 /nfs/dbraw/zinc/32/88/33/193328833.db2.gz RQKSCKGPDSKTKZ-VXGBXAGGSA-N 1 1 278.356 0.312 10 0 CCAEMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cnn1 ZINC000276432123 193328835 /nfs/dbraw/zinc/32/88/35/193328835.db2.gz RQKSCKGPDSKTKZ-VXGBXAGGSA-N 1 1 278.356 0.312 10 0 CCAEMO O=C(N[C@H]1CCCn2ncnc21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245878938 284190899 /nfs/dbraw/zinc/19/08/99/284190899.db2.gz JFPXPELNVOXMPP-RYUDHWBXSA-N 1 1 290.371 0.603 10 0 CCAEMO [NH3+]C1(CNc2nc(C(F)(F)F)ns2)CCOCC1 ZINC000630524787 370145590 /nfs/dbraw/zinc/14/55/90/370145590.db2.gz XURTVPUXSOWQOR-UHFFFAOYSA-N 1 1 282.291 0.899 10 0 CCAEMO CC(C)n1ncnc1CN(C)CC[N@@H+](C)CCO ZINC000631180273 370413955 /nfs/dbraw/zinc/41/39/55/370413955.db2.gz PMPSJXLVPUEBNK-UHFFFAOYSA-N 1 1 255.366 0.215 10 0 CCAEMO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1nn[nH]n1 ZINC000631567381 370595415 /nfs/dbraw/zinc/59/54/15/370595415.db2.gz GDQOPNGRNQOODL-QWRGUYRKSA-N 1 1 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RHRHIGQTANNZAJ-CQSZACIVSA-N 1 1 266.389 0.926 10 0 CCAEMO COCC[N@H+]1CCN(CCCn2ccnc2)C[C@H]1C ZINC000183175381 389726501 /nfs/dbraw/zinc/72/65/01/389726501.db2.gz RHRHIGQTANNZAJ-CQSZACIVSA-N 1 1 266.389 0.926 10 0 CCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2O[C@H](C)C[C@H]2C)CC1 ZINC000407965428 389816706 /nfs/dbraw/zinc/81/67/06/389816706.db2.gz LESPUVGZBLGICF-LPWJVIDDSA-N 1 1 270.373 0.325 10 0 CCAEMO CNC(=O)[C@@H]1CN(C(=O)CC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000407994437 389818564 /nfs/dbraw/zinc/81/85/64/389818564.db2.gz AMSCQYZMWQQJBP-OLZOCXBDSA-N 1 1 297.399 0.224 10 0 CCAEMO CCOc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ncn1 ZINC000408026228 389820639 /nfs/dbraw/zinc/82/06/39/389820639.db2.gz GOOBRUQTIQQFMZ-NEPJUHHUSA-N 1 1 278.356 0.785 10 0 CCAEMO Cc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1C ZINC000408041934 389821530 /nfs/dbraw/zinc/82/15/30/389821530.db2.gz PCKVYZYUPVCABP-RYUDHWBXSA-N 1 1 278.356 0.572 10 0 CCAEMO CN(C)C(=O)CC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408044364 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1 252.314 0.807 10 0 CCAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccoc2)C[C@@H]1C ZINC000174328583 351079419 /nfs/dbraw/zinc/07/94/19/351079419.db2.gz KCPURICQPAERMA-WDEREUQCSA-N 1 1 252.314 0.807 10 0 CCAEMO CCCc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)[nH]n1 ZINC000174351916 351080240 /nfs/dbraw/zinc/08/02/40/351080240.db2.gz TWJHKXHEXLVBRL-NWDGAFQWSA-N 1 1 294.399 0.889 10 0 CCAEMO CCCc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)[nH]n1 ZINC000174351916 351080245 /nfs/dbraw/zinc/08/02/45/351080245.db2.gz TWJHKXHEXLVBRL-NWDGAFQWSA-N 1 1 294.399 0.889 10 0 CCAEMO CCOCCNC(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000175943211 351151291 /nfs/dbraw/zinc/15/12/91/351151291.db2.gz QIGHYWNAAJQIGK-UHFFFAOYSA-N 1 1 280.372 0.742 10 0 CCAEMO CCOCCNC(=O)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000175963826 351151812 /nfs/dbraw/zinc/15/18/12/351151812.db2.gz PGIWSXZWKATBMI-AWEZNQCLSA-N 1 1 294.399 0.981 10 0 CCAEMO CCOCCNC(=O)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000175963826 351151817 /nfs/dbraw/zinc/15/18/17/351151817.db2.gz PGIWSXZWKATBMI-AWEZNQCLSA-N 1 1 294.399 0.981 10 0 CCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ncncc2Cl)CC1 ZINC000176292543 351167691 /nfs/dbraw/zinc/16/76/91/351167691.db2.gz ZBTXHQYXSSLICS-JTQLQIEISA-N 1 1 298.774 0.659 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000176546393 351178395 /nfs/dbraw/zinc/17/83/95/351178395.db2.gz HEDQNVGTTGYACA-MCIONIFRSA-N 1 1 298.431 0.345 10 0 CCAEMO CCN(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO)C1CCCCC1 ZINC000179176694 351259886 /nfs/dbraw/zinc/25/98/86/351259886.db2.gz XNWDGBNOVTVPBZ-ZIAGYGMSSA-N 1 1 284.400 0.595 10 0 CCAEMO CCN(C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO)C1CCCCC1 ZINC000179176694 351259889 /nfs/dbraw/zinc/25/98/89/351259889.db2.gz XNWDGBNOVTVPBZ-ZIAGYGMSSA-N 1 1 284.400 0.595 10 0 CCAEMO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177280640 351199889 /nfs/dbraw/zinc/19/98/89/351199889.db2.gz BNVYYKHYOHUJLQ-VXGBXAGGSA-N 1 1 282.388 0.520 10 0 CCAEMO CCN(C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO)C1CCCCC1 ZINC000179176703 351261037 /nfs/dbraw/zinc/26/10/37/351261037.db2.gz XNWDGBNOVTVPBZ-KGLIPLIRSA-N 1 1 284.400 0.595 10 0 CCAEMO CCN(C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO)C1CCCCC1 ZINC000179176703 351261041 /nfs/dbraw/zinc/26/10/41/351261041.db2.gz XNWDGBNOVTVPBZ-KGLIPLIRSA-N 1 1 284.400 0.595 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCC(=O)N(C)C ZINC000177430948 351203722 /nfs/dbraw/zinc/20/37/22/351203722.db2.gz AFWDWWXFCWEQLC-CYBMUJFWSA-N 1 1 298.431 0.981 10 0 CCAEMO Cc1cc(=O)[nH]cc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177741948 351211890 /nfs/dbraw/zinc/21/18/90/351211890.db2.gz LFQBBYFEFYGJEI-NSHDSACASA-N 1 1 261.325 0.604 10 0 CCAEMO CSCC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000177943039 351216471 /nfs/dbraw/zinc/21/64/71/351216471.db2.gz LYZLGEYQSMWPCY-NSHDSACASA-N 1 1 278.443 0.849 10 0 CCAEMO C[C@H](CN1CCOCC1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000180478639 351286994 /nfs/dbraw/zinc/28/69/94/351286994.db2.gz WBAMMSDESJNEMG-CABCVRRESA-N 1 1 294.399 0.305 10 0 CCAEMO C[C@H](CN1CCOCC1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000180478639 351286996 /nfs/dbraw/zinc/28/69/96/351286996.db2.gz WBAMMSDESJNEMG-CABCVRRESA-N 1 1 294.399 0.305 10 0 CCAEMO C[C@H](CN1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000180624154 351290880 /nfs/dbraw/zinc/29/08/80/351290880.db2.gz HOIYBVQYTXVPEV-ZIAGYGMSSA-N 1 1 253.390 0.487 10 0 CCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccnn2)CC1 ZINC000181233783 351308652 /nfs/dbraw/zinc/30/86/52/351308652.db2.gz IBWCPGCUUVCXNG-NSHDSACASA-N 1 1 279.344 0.397 10 0 CCAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cccnc2)cn1 ZINC000181393170 351315889 /nfs/dbraw/zinc/31/58/89/351315889.db2.gz AQMOAPZMZBGBNO-CYBMUJFWSA-N 1 1 271.324 0.602 10 0 CCAEMO CS[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181386971 351316017 /nfs/dbraw/zinc/31/60/17/351316017.db2.gz MKJRAHFVXDSEGN-ONGXEEELSA-N 1 1 268.386 0.645 10 0 CCAEMO CO[C@H](C)CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181395840 351317492 /nfs/dbraw/zinc/31/74/92/351317492.db2.gz SZQWMHGJPHITEA-PWSUYJOCSA-N 1 1 266.345 0.318 10 0 CCAEMO COC(=O)CCCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000182788180 351370253 /nfs/dbraw/zinc/37/02/53/351370253.db2.gz WXULNVZHIFJVRW-QWHCGFSZSA-N 1 1 298.383 0.509 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)CC[C@@H](C)OC)C[C@H]1C ZINC000183625734 351385239 /nfs/dbraw/zinc/38/52/39/351385239.db2.gz HDTHRECSYOIOTG-CHWSQXEVSA-N 1 1 272.389 0.981 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)CC[C@@H](C)OC)C[C@H]1C ZINC000183625734 351385242 /nfs/dbraw/zinc/38/52/42/351385242.db2.gz HDTHRECSYOIOTG-CHWSQXEVSA-N 1 1 272.389 0.981 10 0 CCAEMO O=C(CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)NCC1CC1 ZINC000183779465 351390672 /nfs/dbraw/zinc/39/06/72/351390672.db2.gz JTHRKTHYVDCJNW-ZDUSSCGKSA-N 1 1 294.399 0.392 10 0 CCAEMO COCC[N@H+]1CCN(Cc2noc(COC)n2)C[C@H]1C ZINC000182441311 351362917 /nfs/dbraw/zinc/36/29/17/351362917.db2.gz XIVGPPMOBIXRMX-LLVKDONJSA-N 1 1 284.360 0.369 10 0 CCAEMO COCc1nc(CN2CC[N@H+]3CCC[C@@H]3C2)no1 ZINC000182454193 351363886 /nfs/dbraw/zinc/36/38/86/351363886.db2.gz CNBGZNZHNSWFJJ-SNVBAGLBSA-N 1 1 252.318 0.496 10 0 CCAEMO COCc1nc(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)no1 ZINC000182542969 351364914 /nfs/dbraw/zinc/36/49/14/351364914.db2.gz VMBVVCAJOGDVAK-RYUDHWBXSA-N 1 1 296.371 0.369 10 0 CCAEMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCCCC1CCCCC1 ZINC000185146102 351433614 /nfs/dbraw/zinc/43/36/14/351433614.db2.gz QAJJZOGADODPRU-CABCVRRESA-N 1 1 298.427 0.891 10 0 CCAEMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCCCC1CCCCC1 ZINC000185146102 351433621 /nfs/dbraw/zinc/43/36/21/351433621.db2.gz QAJJZOGADODPRU-CABCVRRESA-N 1 1 298.427 0.891 10 0 CCAEMO COCCCCS(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000184564852 351414830 /nfs/dbraw/zinc/41/48/30/351414830.db2.gz XDGKUHNJONJKRO-GFCCVEGCSA-N 1 1 276.402 0.523 10 0 CCAEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000189324255 351669366 /nfs/dbraw/zinc/66/93/66/351669366.db2.gz QBTUCFBKVZFMEZ-MRVPVSSYSA-N 1 1 281.278 0.265 10 0 CCAEMO OCCOc1cncc(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000189371990 351672970 /nfs/dbraw/zinc/67/29/70/351672970.db2.gz LHSDTUKTPHPHIO-LLVKDONJSA-N 1 1 264.329 0.132 10 0 CCAEMO C[C@@H]1OCCC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000191164203 351749779 /nfs/dbraw/zinc/74/97/79/351749779.db2.gz FCFSUVYFOLETPF-UONOGXRCSA-N 1 1 283.416 0.555 10 0 CCAEMO C[N@@H+]1C[C@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@H]2C1 ZINC000193615761 351836007 /nfs/dbraw/zinc/83/60/07/351836007.db2.gz UTTWYDVEYWWUEY-AEJSXWLSSA-N 1 1 252.280 0.793 10 0 CCAEMO CN(C)c1noc(CN2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000192980131 351806425 /nfs/dbraw/zinc/80/64/25/351806425.db2.gz ZAONKPSWMBTEMJ-SNVBAGLBSA-N 1 1 251.334 0.416 10 0 CCAEMO CCCCOC[C@H](O)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193691676 351841280 /nfs/dbraw/zinc/84/12/80/351841280.db2.gz ICLPCJBICYCWGR-KGLIPLIRSA-N 1 1 273.373 0.655 10 0 CCAEMO CCCCOC[C@H](O)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000193691676 351841284 /nfs/dbraw/zinc/84/12/84/351841284.db2.gz ICLPCJBICYCWGR-KGLIPLIRSA-N 1 1 273.373 0.655 10 0 CCAEMO COCCN1CC[N@@H+](CCn2ccnc2)C[C@H]1C ZINC000122657491 187044616 /nfs/dbraw/zinc/04/46/16/187044616.db2.gz ZEBOQSSFGQVZRQ-CYBMUJFWSA-N 1 1 252.362 0.536 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000194642306 351879334 /nfs/dbraw/zinc/87/93/34/351879334.db2.gz JBDPFVHJJOEOPB-SNVBAGLBSA-N 1 1 266.345 0.195 10 0 CCAEMO COC(=O)NCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195052788 351895884 /nfs/dbraw/zinc/89/58/84/351895884.db2.gz DKUPPNOSUAPZOO-JTQLQIEISA-N 1 1 255.318 0.039 10 0 CCAEMO COCCOCCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195338402 351910749 /nfs/dbraw/zinc/91/07/49/351910749.db2.gz JYGWVGLEUDPQEV-LBPRGKRZSA-N 1 1 256.346 0.346 10 0 CCAEMO CC(C)(C)CC(=O)NCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195337037 351911386 /nfs/dbraw/zinc/91/13/86/351911386.db2.gz KLVFQQVCDOXVCC-LBPRGKRZSA-N 1 1 281.400 0.845 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cnc(N)cn1 ZINC000228577018 352076708 /nfs/dbraw/zinc/07/67/08/352076708.db2.gz ASWKUKOACWLSCZ-NXEZZACHSA-N 1 1 261.329 0.368 10 0 CCAEMO Cn1nnc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC000236144316 352192611 /nfs/dbraw/zinc/19/26/11/352192611.db2.gz XCKXYJIJCLXMTB-TUAOUCFPSA-N 1 1 265.361 0.726 10 0 CCAEMO Cn1nnc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC000236144316 352192615 /nfs/dbraw/zinc/19/26/15/352192615.db2.gz XCKXYJIJCLXMTB-TUAOUCFPSA-N 1 1 265.361 0.726 10 0 CCAEMO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2)C1 ZINC000236789862 352215033 /nfs/dbraw/zinc/21/50/33/352215033.db2.gz TZWBBLWYWWWLMP-OLZOCXBDSA-N 1 1 269.389 0.069 10 0 CCAEMO COC(=O)CCCCCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237141969 352246128 /nfs/dbraw/zinc/24/61/28/352246128.db2.gz PCGQBBGXKBJGNI-LBPRGKRZSA-N 1 1 286.372 0.605 10 0 CCAEMO Cc1cc(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)[nH]n1 ZINC000246162557 352351024 /nfs/dbraw/zinc/35/10/24/352351024.db2.gz JNLIVCQYCLVISD-YPMHNXCESA-N 1 1 262.357 0.956 10 0 CCAEMO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000246193414 352353360 /nfs/dbraw/zinc/35/33/60/352353360.db2.gz 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CCAEMO CCC(CC)N1C(=O)C[C@H](NC[C@@H](C)[NH+](C)C)C1=O ZINC000038089036 174102779 /nfs/dbraw/zinc/10/27/79/174102779.db2.gz FPZSFZPCNXRRRS-PWSUYJOCSA-N 1 1 269.389 0.842 10 0 CCAEMO OCC1(CO)CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000661945906 414684125 /nfs/dbraw/zinc/68/41/25/414684125.db2.gz TYGYSWGLVSYEKG-HNNXBMFYSA-N 1 1 295.379 0.241 10 0 CCAEMO CO[C@H](CNC(=O)[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000662927815 414897922 /nfs/dbraw/zinc/89/79/22/414897922.db2.gz GDRLWPGNYDXLSQ-CHWSQXEVSA-N 1 1 270.373 0.686 10 0 CCAEMO CN(Cc1csc(CN)n1)C[C@H]1CC[N@H+](C)C1 ZINC000071191804 176072556 /nfs/dbraw/zinc/07/25/56/176072556.db2.gz DOTJUPIITCRTMF-JTQLQIEISA-N 1 1 254.403 0.985 10 0 CCAEMO CN(Cc1csc(CN)n1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191804 176072557 /nfs/dbraw/zinc/07/25/57/176072557.db2.gz DOTJUPIITCRTMF-JTQLQIEISA-N 1 1 254.403 0.985 10 0 CCAEMO C[C@@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@H]1CO ZINC000408399802 287355041 /nfs/dbraw/zinc/35/50/41/287355041.db2.gz LCDYZFHUIYFZTM-UTUOFQBUSA-N 1 1 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NC(=O)NC(=O)CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000128551464 295071531 /nfs/dbraw/zinc/07/15/31/295071531.db2.gz SSNRILSTRBGMAF-GWCFXTLKSA-N 1 1 269.345 0.198 10 0 CCAEMO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCN(CC2CC2)CC1 ZINC000085368813 295338752 /nfs/dbraw/zinc/33/87/52/295338752.db2.gz JFRSDTXZRYCITM-OLZOCXBDSA-N 1 1 251.374 0.668 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC000375130316 297099060 /nfs/dbraw/zinc/09/90/60/297099060.db2.gz IJGUOKDCVBPLOE-GRYCIOLGSA-N 1 1 296.415 0.765 10 0 CCAEMO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333484616 297595741 /nfs/dbraw/zinc/59/57/41/297595741.db2.gz BVUBRRIACPAWQH-FPMFFAJLSA-N 1 1 290.367 0.915 10 0 CCAEMO C[C@H]1C[N@@H+](C)CCN1CC(=O)NC(=O)NC(C)(C)C ZINC000408111668 300213654 /nfs/dbraw/zinc/21/36/54/300213654.db2.gz GMBOTAPVCIEBNF-JTQLQIEISA-N 1 1 270.377 0.247 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)c2c[nH]nc2C)C[C@@H]1C ZINC000172220372 335098069 /nfs/dbraw/zinc/09/80/69/335098069.db2.gz 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ZINC000179173164 351260235 /nfs/dbraw/zinc/26/02/35/351260235.db2.gz BRWXZXBODJJGDZ-NWINJMCUSA-N 1 1 284.400 0.451 10 0 CCAEMO CC1CCC(N(C)C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000179173164 351260237 /nfs/dbraw/zinc/26/02/37/351260237.db2.gz BRWXZXBODJJGDZ-NWINJMCUSA-N 1 1 284.400 0.451 10 0 CCAEMO CN(C)c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179175947 351260281 /nfs/dbraw/zinc/26/02/81/351260281.db2.gz PTXXCPNHJARBOL-CHWSQXEVSA-N 1 1 250.342 0.680 10 0 CCAEMO O=C(CCc1nnc[nH]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177181561 351196387 /nfs/dbraw/zinc/19/63/87/351196387.db2.gz XTNBSXXEISDIIH-LLVKDONJSA-N 1 1 263.345 0.434 10 0 CCAEMO O=C(CCc1nc[nH]n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177181561 351196391 /nfs/dbraw/zinc/19/63/91/351196391.db2.gz XTNBSXXEISDIIH-LLVKDONJSA-N 1 1 263.345 0.434 10 0 CCAEMO O=C(CCc1nc[nH]n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177181561 351196395 /nfs/dbraw/zinc/19/63/95/351196395.db2.gz XTNBSXXEISDIIH-LLVKDONJSA-N 1 1 263.345 0.434 10 0 CCAEMO C[C@H]1C[N@@H+](CCCCCO)C[C@@H]1N1CCOCC1 ZINC000177256629 351199625 /nfs/dbraw/zinc/19/96/25/351199625.db2.gz CPGCFFWZMQUAJP-KBPBESRZSA-N 1 1 256.390 0.802 10 0 CCAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccccn2)cn1 ZINC000181369851 351315066 /nfs/dbraw/zinc/31/50/66/351315066.db2.gz PZMICAZPOGRYMK-CYBMUJFWSA-N 1 1 271.324 0.602 10 0 CCAEMO CCCCOCC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181377899 351316425 /nfs/dbraw/zinc/31/64/25/351316425.db2.gz OMUTWXWDZUZNLH-CYBMUJFWSA-N 1 1 280.372 0.710 10 0 CCAEMO O=C(CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)NCC1CC1 ZINC000183790652 351391635 /nfs/dbraw/zinc/39/16/35/351391635.db2.gz SBNOKHLJSXUNAK-GFCCVEGCSA-N 1 1 280.372 0.002 10 0 CCAEMO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000185175915 351435974 /nfs/dbraw/zinc/43/59/74/351435974.db2.gz ZOQKAWZKPXAXNV-YNEHKIRRSA-N 1 1 272.389 0.307 10 0 CCAEMO CCOC(=O)CC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187210445 351533917 /nfs/dbraw/zinc/53/39/17/351533917.db2.gz AGCAUMDLEOOMFQ-UHFFFAOYSA-N 1 1 266.345 0.793 10 0 CCAEMO C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193611250 351835800 /nfs/dbraw/zinc/83/58/00/351835800.db2.gz DWVAQLPICSYPOD-MXWKQRLJSA-N 1 1 291.403 0.074 10 0 CCAEMO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195441692 351913408 /nfs/dbraw/zinc/91/34/08/351913408.db2.gz DKUJOPAMPQBALI-SNVBAGLBSA-N 1 1 297.380 0.612 10 0 CCAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195441692 351913412 /nfs/dbraw/zinc/91/34/12/351913412.db2.gz DKUJOPAMPQBALI-SNVBAGLBSA-N 1 1 297.380 0.612 10 0 CCAEMO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000227159518 352039385 /nfs/dbraw/zinc/03/93/85/352039385.db2.gz CGMBZWKUPUFHNZ-IJLUTSLNSA-N 1 1 297.424 0.844 10 0 CCAEMO CCn1cnnc1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000230755169 352119438 /nfs/dbraw/zinc/11/94/38/352119438.db2.gz GLLYRYFIUYENEP-NSHDSACASA-N 1 1 280.328 0.558 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](CO)C[C@@H]2C1 ZINC000238098300 352297715 /nfs/dbraw/zinc/29/77/15/352297715.db2.gz IBSRGFUVJPIVEP-WDEREUQCSA-N 1 1 256.346 0.920 10 0 CCAEMO CCCNC(=O)NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000245440712 352323325 /nfs/dbraw/zinc/32/33/25/352323325.db2.gz UUNMTFNLKIBXDM-OLZOCXBDSA-N 1 1 296.415 0.781 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ncn(C)n1 ZINC000245567280 352329443 /nfs/dbraw/zinc/32/94/43/352329443.db2.gz UJAQSQWMPJIBJL-RYUDHWBXSA-N 1 1 292.387 0.583 10 0 CCAEMO COC(=O)[C@@]1(C)CC[N@H+]([C@H]2CCCCNC2=O)C1 ZINC000246007936 352345086 /nfs/dbraw/zinc/34/50/86/352345086.db2.gz ZDHBEIBOCXDQPE-GWCFXTLKSA-N 1 1 254.330 0.540 10 0 CCAEMO CCCCNC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246379255 352363182 /nfs/dbraw/zinc/36/31/82/352363182.db2.gz IAGSHJVSODAQDZ-KBPBESRZSA-N 1 1 283.416 0.555 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N1CCCC1 ZINC000246965147 352390628 /nfs/dbraw/zinc/39/06/28/352390628.db2.gz DLMNKNCHCJBLAY-OLZOCXBDSA-N 1 1 251.374 0.777 10 0 CCAEMO Cc1noc(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000247041764 352395323 /nfs/dbraw/zinc/39/53/23/352395323.db2.gz GQNYVBMHUDDVDO-PWSUYJOCSA-N 1 1 293.371 0.799 10 0 CCAEMO CC[C@H](C)NC(=O)CN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247064220 352396745 /nfs/dbraw/zinc/39/67/45/352396745.db2.gz GBKUOWDCPHDQQF-IHRRRGAJSA-N 1 1 285.432 0.678 10 0 CCAEMO CCOC(=O)CCN1CC[N@@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247091532 352397723 /nfs/dbraw/zinc/39/77/23/352397723.db2.gz HQMMFGJLOUZPID-STQMWFEESA-N 1 1 272.389 0.717 10 0 CCAEMO CCNC(=O)CC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247320201 352409893 /nfs/dbraw/zinc/40/98/93/352409893.db2.gz WCZSKVWTXQIZRX-MNOVXSKESA-N 1 1 258.387 0.719 10 0 CCAEMO COCC[N@@H+]1CCN([C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000247370418 352410699 /nfs/dbraw/zinc/41/06/99/352410699.db2.gz UOHVORYHBGMXFS-NWDGAFQWSA-N 1 1 257.378 0.116 10 0 CCAEMO COCC[N@H+]1CCN([C@H](C)C(=O)N(C)C)C[C@@H]1C ZINC000247370418 352410700 /nfs/dbraw/zinc/41/07/00/352410700.db2.gz UOHVORYHBGMXFS-NWDGAFQWSA-N 1 1 257.378 0.116 10 0 CCAEMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1=NNC(=O)CC1 ZINC000247433785 352414241 /nfs/dbraw/zinc/41/42/41/352414241.db2.gz OWEIGFBRWGUHHN-MWLCHTKSSA-N 1 1 266.345 0.051 10 0 CCAEMO COC(=O)CCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247459798 352415906 /nfs/dbraw/zinc/41/59/06/352415906.db2.gz QRSBCJJMBBICJW-NEPJUHHUSA-N 1 1 283.372 0.818 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCS(C)(=O)=O ZINC000247522127 352419497 /nfs/dbraw/zinc/41/94/97/352419497.db2.gz WWBPVQIHBYLCMZ-NEPJUHHUSA-N 1 1 288.413 0.506 10 0 CCAEMO O=C(CCN1CC[N@H+]2CCCC[C@@H]2C1)N1CCOCC1 ZINC000248359164 352436068 /nfs/dbraw/zinc/43/60/68/352436068.db2.gz RPXKEFASMFBFAY-CQSZACIVSA-N 1 1 281.400 0.405 10 0 CCAEMO O=C(CC[N@@H+]1CCN2CCCC[C@@H]2C1)N1CCOCC1 ZINC000248359164 352436070 /nfs/dbraw/zinc/43/60/70/352436070.db2.gz RPXKEFASMFBFAY-CQSZACIVSA-N 1 1 281.400 0.405 10 0 CCAEMO O=C(CC[N@H+]1CCN2CCCC[C@@H]2C1)N1CCOCC1 ZINC000248359164 352436074 /nfs/dbraw/zinc/43/60/74/352436074.db2.gz RPXKEFASMFBFAY-CQSZACIVSA-N 1 1 281.400 0.405 10 0 CCAEMO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247227825 352404889 /nfs/dbraw/zinc/40/48/89/352404889.db2.gz WTHLHGOBIOLJJM-HUUCEWRRSA-N 1 1 295.427 0.651 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1C ZINC000248628786 352449946 /nfs/dbraw/zinc/44/99/46/352449946.db2.gz GFYFAOZHYZCDQN-QWRGUYRKSA-N 1 1 292.383 0.814 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1C ZINC000248628786 352449950 /nfs/dbraw/zinc/44/99/50/352449950.db2.gz GFYFAOZHYZCDQN-QWRGUYRKSA-N 1 1 292.383 0.814 10 0 CCAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1nc(N(C)C)no1 ZINC000249514504 352493759 /nfs/dbraw/zinc/49/37/59/352493759.db2.gz IUBPXBUBVKCUDL-MNOVXSKESA-N 1 1 265.361 0.804 10 0 CCAEMO CO[C@H](C)[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248896275 352464956 /nfs/dbraw/zinc/46/49/56/352464956.db2.gz ZWEOJESYYXKPKS-MROQNXINSA-N 1 1 287.404 0.506 10 0 CCAEMO OCCOc1cncc(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000249105767 352477703 /nfs/dbraw/zinc/47/77/03/352477703.db2.gz LHSDTUKTPHPHIO-NSHDSACASA-N 1 1 264.329 0.132 10 0 CCAEMO Cc1ncsc1C[N@H+]1CCc2n[nH]c(=O)n2CC1 ZINC000257183275 352549515 /nfs/dbraw/zinc/54/95/15/352549515.db2.gz RESKUBZOJCESQZ-UHFFFAOYSA-N 1 1 265.342 0.395 10 0 CCAEMO Cc1ncsc1C[N@@H+]1CCc2n[nH]c(=O)n2CC1 ZINC000257183275 352549519 /nfs/dbraw/zinc/54/95/19/352549519.db2.gz RESKUBZOJCESQZ-UHFFFAOYSA-N 1 1 265.342 0.395 10 0 CCAEMO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000249750718 352501232 /nfs/dbraw/zinc/50/12/32/352501232.db2.gz CKCWNQNSUNICSP-UONOGXRCSA-N 1 1 298.431 0.491 10 0 CCAEMO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000251362599 352510228 /nfs/dbraw/zinc/51/02/28/352510228.db2.gz SLIYUOSGQUTXTK-AXFHLTTASA-N 1 1 276.402 0.456 10 0 CCAEMO Cc1noc([C@@H]2C[N@@H+](Cc3c(C)n[nH]c3C)C[C@H]2CO)n1 ZINC000253397554 352533160 /nfs/dbraw/zinc/53/31/60/352533160.db2.gz BMLFTAGVLKHQJV-WCQYABFASA-N 1 1 291.355 0.926 10 0 CCAEMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000265581233 352647591 /nfs/dbraw/zinc/64/75/91/352647591.db2.gz IKOJAMWRHGGTOV-STQMWFEESA-N 1 1 289.383 0.656 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(c2nccn3cnnc23)C[C@H]1C ZINC000266451119 352703396 /nfs/dbraw/zinc/70/33/96/352703396.db2.gz NZIKXJRKMPGHHX-MNOVXSKESA-N 1 1 276.344 0.016 10 0 CCAEMO COC(=O)c1cnc(N2CC[N@H+]3CCCC[C@H]3C2)cn1 ZINC000300416727 354064594 /nfs/dbraw/zinc/06/45/94/354064594.db2.gz VXJJBYSQZIHGPL-NSHDSACASA-N 1 1 276.340 0.938 10 0 CCAEMO C[N@H+]1CCO[C@@H]2CCN(c3ncnc4[nH]ccc43)C[C@@H]21 ZINC000328946248 283000143 /nfs/dbraw/zinc/00/01/43/283000143.db2.gz JYANJORMVKBAGT-NWDGAFQWSA-N 1 1 273.340 0.867 10 0 CCAEMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328624671 354241055 /nfs/dbraw/zinc/24/10/55/354241055.db2.gz ZTOVYIQMQSDSOV-UONOGXRCSA-N 1 1 292.383 0.503 10 0 CCAEMO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000330152917 354301011 /nfs/dbraw/zinc/30/10/11/354301011.db2.gz WYYHPTSYDBPDED-STQMWFEESA-N 1 1 268.357 0.081 10 0 CCAEMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000330152917 354301015 /nfs/dbraw/zinc/30/10/15/354301015.db2.gz WYYHPTSYDBPDED-STQMWFEESA-N 1 1 268.357 0.081 10 0 CCAEMO CN1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246358388 283024319 /nfs/dbraw/zinc/02/43/19/283024319.db2.gz DXQGEAFLNRHSHU-TZMCWYRMSA-N 1 1 296.415 0.101 10 0 CCAEMO CC[C@@H](C)NC(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333768635 354790675 /nfs/dbraw/zinc/79/06/75/354790675.db2.gz DXYCYWVKCMERRG-MCIONIFRSA-N 1 1 295.427 0.602 10 0 CCAEMO O=C([C@H]1CNC(=O)C1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000333694328 354777830 /nfs/dbraw/zinc/77/78/30/354777830.db2.gz CYHHVDDQOPFQTH-CHWSQXEVSA-N 1 1 273.336 0.296 10 0 CCAEMO CN1CC[C@H]([N@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1=O ZINC000252475843 283118905 /nfs/dbraw/zinc/11/89/05/283118905.db2.gz GCOVXYCOLTWKTQ-SGMGOOAPSA-N 1 1 252.358 0.844 10 0 CCAEMO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)c2nccn21 ZINC000345362185 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COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000193285364 389066039 /nfs/dbraw/zinc/06/60/39/389066039.db2.gz BYGNZGNDVQIZPQ-ZJUUUORDSA-N 1 1 268.313 0.916 10 0 CCAEMO CCCCOC[C@H](O)C[N@H+]1CCN(CCOC)[C@H](C)C1 ZINC000193378828 389068484 /nfs/dbraw/zinc/06/84/84/389068484.db2.gz VQKPQXUDOMQBQD-HUUCEWRRSA-N 1 1 288.432 0.817 10 0 CCAEMO CCCCOC[C@H](O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000193378828 389068486 /nfs/dbraw/zinc/06/84/86/389068486.db2.gz VQKPQXUDOMQBQD-HUUCEWRRSA-N 1 1 288.432 0.817 10 0 CCAEMO CCCCOC[C@H](O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000193378828 389068488 /nfs/dbraw/zinc/06/84/88/389068488.db2.gz VQKPQXUDOMQBQD-HUUCEWRRSA-N 1 1 288.432 0.817 10 0 CCAEMO CNC(=O)CC[N@H+](C)Cc1ncccc1C(=O)OC ZINC000302331028 389068611 /nfs/dbraw/zinc/06/86/11/389068611.db2.gz KWHWGIFUFVSIQE-UHFFFAOYSA-N 1 1 265.313 0.436 10 0 CCAEMO CNC(=O)CC[N@@H+](C)Cc1ncccc1C(=O)OC ZINC000302331028 389068613 /nfs/dbraw/zinc/06/86/13/389068613.db2.gz KWHWGIFUFVSIQE-UHFFFAOYSA-N 1 1 265.313 0.436 10 0 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350924326 /nfs/dbraw/zinc/92/43/26/350924326.db2.gz VWNBGSXGXSMZOB-GFCCVEGCSA-N 1 1 277.372 0.447 10 0 CCAEMO CCOCCCNC(=O)[C@H](C)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171640280 350924570 /nfs/dbraw/zinc/92/45/70/350924570.db2.gz KFXPTQVQZUIXCG-UONOGXRCSA-N 1 1 283.416 0.698 10 0 CCAEMO O=C(CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCCCC1 ZINC000171900981 350940970 /nfs/dbraw/zinc/94/09/70/350940970.db2.gz NGDAXKNZHWGWQH-ZDUSSCGKSA-N 1 1 294.399 0.489 10 0 CCAEMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCNC(=O)C1 ZINC000171662645 350926313 /nfs/dbraw/zinc/92/63/13/350926313.db2.gz WWFCXNFCJMGVNA-CYBMUJFWSA-N 1 1 275.352 0.118 10 0 CCAEMO Cc1cnn(CCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000172291618 350972108 /nfs/dbraw/zinc/97/21/08/350972108.db2.gz UCGHXENMTUNXFI-ZDUSSCGKSA-N 1 1 277.372 0.681 10 0 CCAEMO CC(C)CC(=O)NCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172907810 351017262 /nfs/dbraw/zinc/01/72/62/351017262.db2.gz RVHFMZJAIMSLIR-CYBMUJFWSA-N 1 1 281.400 0.845 10 0 CCAEMO C[C@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1N1CCOCC1 ZINC000173981596 351065529 /nfs/dbraw/zinc/06/55/29/351065529.db2.gz WANSDMQGXPPNET-AAEUAGOBSA-N 1 1 278.356 0.131 10 0 CCAEMO C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1[NH+]1CCOCC1 ZINC000173981596 351065530 /nfs/dbraw/zinc/06/55/30/351065530.db2.gz WANSDMQGXPPNET-AAEUAGOBSA-N 1 1 278.356 0.131 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CC ZINC000173642810 351048753 /nfs/dbraw/zinc/04/87/53/351048753.db2.gz ZOGJIJNMUBBSLG-AWEZNQCLSA-N 1 1 294.399 0.912 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CC ZINC000173642810 351048762 /nfs/dbraw/zinc/04/87/62/351048762.db2.gz ZOGJIJNMUBBSLG-AWEZNQCLSA-N 1 1 294.399 0.912 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CC ZINC000173642810 351048765 /nfs/dbraw/zinc/04/87/65/351048765.db2.gz ZOGJIJNMUBBSLG-AWEZNQCLSA-N 1 1 294.399 0.912 10 0 CCAEMO CC[C@@H]1CN(c2nccn(C)c2=O)CC[N@H+]1CCOC ZINC000174736725 351101131 /nfs/dbraw/zinc/10/11/31/351101131.db2.gz HQGODVCHYSLBGZ-GFCCVEGCSA-N 1 1 280.372 0.327 10 0 CCAEMO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1=CCCCO1 ZINC000174868827 351107863 /nfs/dbraw/zinc/10/78/63/351107863.db2.gz HJISDKHUCFIOCG-LBPRGKRZSA-N 1 1 266.341 0.660 10 0 CCAEMO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1=CCCCO1 ZINC000174868827 351107868 /nfs/dbraw/zinc/10/78/68/351107868.db2.gz HJISDKHUCFIOCG-LBPRGKRZSA-N 1 1 266.341 0.660 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCn1cncn1 ZINC000175016159 351114679 /nfs/dbraw/zinc/11/46/79/351114679.db2.gz UJQOINLAUKSDRH-CHWSQXEVSA-N 1 1 277.372 0.753 10 0 CCAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000175992080 351153351 /nfs/dbraw/zinc/15/33/51/351153351.db2.gz KPTISNQTJIAEFA-XQQFMLRXSA-N 1 1 267.373 0.707 10 0 CCAEMO CCc1nnc(C[N@@H+]2CC[C@]3(CCOC3)C2)n1C ZINC000176301397 351167850 /nfs/dbraw/zinc/16/78/50/351167850.db2.gz CEHXPBMFAGGAHP-ZDUSSCGKSA-N 1 1 250.346 0.990 10 0 CCAEMO CCc1nnc(C[N@H+]2CC[C@]3(CCOC3)C2)n1C ZINC000176301397 351167855 /nfs/dbraw/zinc/16/78/55/351167855.db2.gz 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C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1CC(=O)[O-] ZINC000722608215 978149125 /nfs/dbraw/zinc/14/91/25/978149125.db2.gz DHIJJZMVFJVXQF-UPJWGTAASA-N 1 1 270.373 0.486 10 0 CCAEMO CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722621726 978152427 /nfs/dbraw/zinc/15/24/27/978152427.db2.gz QNHJQWKCWFVKHH-JHJVBQTASA-N 1 1 272.389 0.730 10 0 CCAEMO CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722621726 978152432 /nfs/dbraw/zinc/15/24/32/978152432.db2.gz QNHJQWKCWFVKHH-JHJVBQTASA-N 1 1 272.389 0.730 10 0 CCAEMO CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722621726 978152433 /nfs/dbraw/zinc/15/24/33/978152433.db2.gz QNHJQWKCWFVKHH-JHJVBQTASA-N 1 1 272.389 0.730 10 0 CCAEMO O=C(CC[N@@H+]1CCO[C@@H](CO)C1)Nc1ccccc1F ZINC000094268366 349565969 /nfs/dbraw/zinc/56/59/69/349565969.db2.gz CNBOYOJMFCEIED-LLVKDONJSA-N 1 1 282.315 0.847 10 0 CCAEMO O=C(CC[N@H+]1CCO[C@@H](CO)C1)Nc1ccccc1F ZINC000094268366 349565973 /nfs/dbraw/zinc/56/59/73/349565973.db2.gz CNBOYOJMFCEIED-LLVKDONJSA-N 1 1 282.315 0.847 10 0 CCAEMO C[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1cccnc1 ZINC000095069652 349586301 /nfs/dbraw/zinc/58/63/01/349586301.db2.gz GLXSOYXPLKNQGW-JTQLQIEISA-N 1 1 255.343 0.205 10 0 CCAEMO COc1ccc(CN2C(=O)N[C@H]3C=C[NH2+][C@H]3C2=O)cc1 ZINC000100088979 349655476 /nfs/dbraw/zinc/65/54/76/349655476.db2.gz AOKQLCXGSOPZQV-NWDGAFQWSA-N 1 1 273.292 0.601 10 0 CCAEMO C[NH+]1CCC(NC(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000105079957 349720510 /nfs/dbraw/zinc/72/05/10/349720510.db2.gz AJMUFULGZVULFK-AWEZNQCLSA-N 1 1 280.416 0.960 10 0 CCAEMO C[C@H](C(N)=O)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867303 349726477 /nfs/dbraw/zinc/72/64/77/349726477.db2.gz PFPZIYSYACLPAR-SNVBAGLBSA-N 1 1 293.371 0.329 10 0 CCAEMO C[C@H](C(N)=O)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105867303 349726482 /nfs/dbraw/zinc/72/64/82/349726482.db2.gz PFPZIYSYACLPAR-SNVBAGLBSA-N 1 1 293.371 0.329 10 0 CCAEMO COC(=O)CCCC[N@H+]1C[C@H](OC)C[C@]1(C)CN ZINC000600887672 362088931 /nfs/dbraw/zinc/08/89/31/362088931.db2.gz XLYKUJLCCYXMIA-DGCLKSJQSA-N 1 1 258.362 0.768 10 0 CCAEMO COC(=O)CCCC[N@@H+]1C[C@H](OC)C[C@]1(C)CN ZINC000600887672 362088932 /nfs/dbraw/zinc/08/89/32/362088932.db2.gz XLYKUJLCCYXMIA-DGCLKSJQSA-N 1 1 258.362 0.768 10 0 CCAEMO COCCOCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113223800 349804452 /nfs/dbraw/zinc/80/44/52/349804452.db2.gz WGBIWVMLNNSXSF-QWHCGFSZSA-N 1 1 270.373 0.735 10 0 CCAEMO COC(=O)NCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113229805 349806109 /nfs/dbraw/zinc/80/61/09/349806109.db2.gz LWTRTSSZSXXQFN-GHMZBOCLSA-N 1 1 269.345 0.428 10 0 CCAEMO CCCS(=O)(=O)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113269510 349807030 /nfs/dbraw/zinc/80/70/30/349807030.db2.gz FLTHBMHMJPHACT-QWHCGFSZSA-N 1 1 274.430 0.980 10 0 CCAEMO O[C@H](CNc1ncnc2[nH]cnc21)C[NH+]1CCCCC1 ZINC000174685001 231762071 /nfs/dbraw/zinc/76/20/71/231762071.db2.gz UMSLDVAUBNGBII-SNVBAGLBSA-N 1 1 276.344 0.612 10 0 CCAEMO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)C1=O ZINC000116277799 349866914 /nfs/dbraw/zinc/86/69/14/349866914.db2.gz OPIFBLMRBZIQNA-CHWSQXEVSA-N 1 1 289.383 0.608 10 0 CCAEMO COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321282 349867989 /nfs/dbraw/zinc/86/79/89/349867989.db2.gz RDMWLHHFLVZNPU-STQMWFEESA-N 1 1 294.399 0.751 10 0 CCAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)cn1 ZINC000116408261 349869914 /nfs/dbraw/zinc/86/99/14/349869914.db2.gz QCVPUNOMMIYHQY-GFCCVEGCSA-N 1 1 262.357 0.832 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)c2cc(OC)ccn2)C[C@@H]1C ZINC000117294441 349883804 /nfs/dbraw/zinc/88/38/04/349883804.db2.gz BNKCRZLVXAUUDX-LBPRGKRZSA-N 1 1 293.367 0.883 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)c2cc(OC)ccn2)C[C@@H]1C ZINC000117294441 349883805 /nfs/dbraw/zinc/88/38/05/349883805.db2.gz BNKCRZLVXAUUDX-LBPRGKRZSA-N 1 1 293.367 0.883 10 0 CCAEMO Cc1cnn(CCNC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000118052509 349895372 /nfs/dbraw/zinc/89/53/72/349895372.db2.gz XBEPDQFTVZSYFP-UHFFFAOYSA-N 1 1 295.387 0.213 10 0 CCAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1C ZINC000119032669 349915265 /nfs/dbraw/zinc/91/52/65/349915265.db2.gz URVQIDGNDYZIGV-ZDUSSCGKSA-N 1 1 294.399 0.830 10 0 CCAEMO CCOCC[N@H+]1CCN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1C ZINC000119032669 349915268 /nfs/dbraw/zinc/91/52/68/349915268.db2.gz URVQIDGNDYZIGV-ZDUSSCGKSA-N 1 1 294.399 0.830 10 0 CCAEMO CCc1ccc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)nc1 ZINC000339190446 215004148 /nfs/dbraw/zinc/00/41/48/215004148.db2.gz NFYYERRJWDVPMO-CQSZACIVSA-N 1 1 263.341 0.456 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1nc(N)nc(N)n1 ZINC000246102376 136976654 /nfs/dbraw/zinc/97/66/54/136976654.db2.gz OUPOBPKHCHFPDH-UWVGGRQHSA-N 1 1 277.376 0.095 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(=O)N(C)CC ZINC000251498429 137001588 /nfs/dbraw/zinc/00/15/88/137001588.db2.gz DUTQIYRZFGMJPV-OLZOCXBDSA-N 1 1 296.415 0.733 10 0 CCAEMO COCCn1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000251804171 137002127 /nfs/dbraw/zinc/00/21/27/137002127.db2.gz MHZVKUDQHFOUIE-OLZOCXBDSA-N 1 1 292.383 0.838 10 0 CCAEMO C[NH2+][C@@H](C(=O)NCC1CCSCC1)c1cnn(C)c1 ZINC000262315987 137036685 /nfs/dbraw/zinc/03/66/85/137036685.db2.gz CFGOPRCQJNRJFZ-GFCCVEGCSA-N 1 1 282.413 0.940 10 0 CCAEMO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262313033 137037143 /nfs/dbraw/zinc/03/71/43/137037143.db2.gz DDBGIBUUALNQAP-HUUCEWRRSA-N 1 1 295.427 0.746 10 0 CCAEMO O=C(C[C@@H]1COCCN1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000262313033 137037144 /nfs/dbraw/zinc/03/71/44/137037144.db2.gz DDBGIBUUALNQAP-HUUCEWRRSA-N 1 1 295.427 0.746 10 0 CCAEMO O=C(C[C@@H]1COCCN1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262313033 137037145 /nfs/dbraw/zinc/03/71/45/137037145.db2.gz DDBGIBUUALNQAP-HUUCEWRRSA-N 1 1 295.427 0.746 10 0 CCAEMO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc(-n2cccn2)cc1 ZINC000263249345 137061725 /nfs/dbraw/zinc/06/17/25/137061725.db2.gz PQMCJDISXBNZPW-DZGCQCFKSA-N 1 1 272.352 0.542 10 0 CCAEMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@H]1CCCCNC1=O ZINC000332757281 137080746 /nfs/dbraw/zinc/08/07/46/137080746.db2.gz DSJHKBYVRRPHDD-YRGRVCCFSA-N 1 1 293.411 0.892 10 0 CCAEMO C[C@@H](Cn1cncn1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332822584 137081186 /nfs/dbraw/zinc/08/11/86/137081186.db2.gz DGLUPBLXIRRVNO-RYUDHWBXSA-N 1 1 278.360 0.156 10 0 CCAEMO CO[C@@H]1C[C@@H](CO)[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000344675732 137207273 /nfs/dbraw/zinc/20/72/73/137207273.db2.gz KZXHJWPFDJYDLN-NWDGAFQWSA-N 1 1 279.402 0.281 10 0 CCAEMO CO[C@@H]1C[C@@H](CO)[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000344675732 137207274 /nfs/dbraw/zinc/20/72/74/137207274.db2.gz KZXHJWPFDJYDLN-NWDGAFQWSA-N 1 1 279.402 0.281 10 0 CCAEMO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000034938684 348152777 /nfs/dbraw/zinc/15/27/77/348152777.db2.gz SQZIVLSOPCINKS-VHSXEESVSA-N 1 1 276.402 0.456 10 0 CCAEMO CCCCCNC(=O)[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000034938662 348152934 /nfs/dbraw/zinc/15/29/34/348152934.db2.gz FDVOBHYNZBLJME-QWRGUYRKSA-N 1 1 276.402 0.458 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](c3nn[nH]n3)C[C@@H]2C1 ZINC000056705145 348593642 /nfs/dbraw/zinc/59/36/42/348593642.db2.gz KPJGJAMQQDPGGT-NXEZZACHSA-N 1 1 294.359 0.608 10 0 CCAEMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@H](c3nn[nH]n3)C[C@@H]2C1 ZINC000056705145 348593644 /nfs/dbraw/zinc/59/36/44/348593644.db2.gz KPJGJAMQQDPGGT-NXEZZACHSA-N 1 1 294.359 0.608 10 0 CCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cnns3)CC2)CCO1 ZINC000068095519 348797719 /nfs/dbraw/zinc/79/77/19/348797719.db2.gz GJJCMRDMPUQRTA-SNVBAGLBSA-N 1 1 296.396 0.863 10 0 CCAEMO COCCCNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079566118 349184189 /nfs/dbraw/zinc/18/41/89/349184189.db2.gz JUETUINVWHVMAR-CYBMUJFWSA-N 1 1 299.415 0.918 10 0 CCAEMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000078941182 349161289 /nfs/dbraw/zinc/16/12/89/349161289.db2.gz POLGAVLWSICTAM-KBPBESRZSA-N 1 1 299.415 0.510 10 0 CCAEMO CC[N@@H+](CC(=O)N1CCOC[C@@H]1c1nc(C)no1)C1CC1 ZINC000121156382 350025161 /nfs/dbraw/zinc/02/51/61/350025161.db2.gz RSFDXJJMESOKJB-GFCCVEGCSA-N 1 1 294.355 0.762 10 0 CCAEMO CC1(C)NC(=O)N(CCCN2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000089914360 349411972 /nfs/dbraw/zinc/41/19/72/349411972.db2.gz JELWWIGQBJQTKN-GFCCVEGCSA-N 1 1 294.399 0.487 10 0 CCAEMO CC(C)CO[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000124647708 350104379 /nfs/dbraw/zinc/10/43/79/350104379.db2.gz ZEPSGBJVNNTWQS-KBPBESRZSA-N 1 1 284.400 0.717 10 0 CCAEMO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CNC(=O)C2)CC[N@H+]1C ZINC000124040973 350088316 /nfs/dbraw/zinc/08/83/16/350088316.db2.gz SGCGUTXVOOTRNT-MXWKQRLJSA-N 1 1 253.346 0.064 10 0 CCAEMO Cn1cc(C(N)=O)cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000128733639 350197709 /nfs/dbraw/zinc/19/77/09/350197709.db2.gz GDWGGFMBMJSVLN-GFCCVEGCSA-N 1 1 290.367 0.434 10 0 CCAEMO Cn1cc(C(N)=O)cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000128733639 350197714 /nfs/dbraw/zinc/19/77/14/350197714.db2.gz GDWGGFMBMJSVLN-GFCCVEGCSA-N 1 1 290.367 0.434 10 0 CCAEMO COCCOCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105153783 186044864 /nfs/dbraw/zinc/04/48/64/186044864.db2.gz ZKPGGQXYFYVMHG-UHFFFAOYSA-N 1 1 271.361 0.139 10 0 CCAEMO CCn1ccnc(NC[C@@H]2C[N@H+](C)CCO2)c1=O ZINC000091673650 180224296 /nfs/dbraw/zinc/22/42/96/180224296.db2.gz UMGWVCRNPZWJOE-SNVBAGLBSA-N 1 1 252.318 0.006 10 0 CCAEMO CCn1ccnc(NC[C@@H]2C[N@@H+](C)CCO2)c1=O ZINC000091673650 180224298 /nfs/dbraw/zinc/22/42/98/180224298.db2.gz UMGWVCRNPZWJOE-SNVBAGLBSA-N 1 1 252.318 0.006 10 0 CCAEMO Cn1ncc(N[C@H]2CCC[N@@H+](C)C2)c(Cl)c1=O ZINC000134330973 350361656 /nfs/dbraw/zinc/36/16/56/350361656.db2.gz LEPPHANDICKARV-QMMMGPOBSA-N 1 1 256.737 0.940 10 0 CCAEMO CCCCNC(=O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798258 186071088 /nfs/dbraw/zinc/07/10/88/186071088.db2.gz OWRGXLPGZUZQAT-UHFFFAOYSA-N 1 1 291.399 0.905 10 0 CCAEMO CCCCNC(=O)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000105798258 186071090 /nfs/dbraw/zinc/07/10/90/186071090.db2.gz OWRGXLPGZUZQAT-UHFFFAOYSA-N 1 1 291.399 0.905 10 0 CCAEMO C[C@H](C(N)=O)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105806075 186072407 /nfs/dbraw/zinc/07/24/07/186072407.db2.gz ANAHVTWMQGYSSZ-SNVBAGLBSA-N 1 1 263.345 0.251 10 0 CCAEMO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)nn1 ZINC000105800621 186072754 /nfs/dbraw/zinc/07/27/54/186072754.db2.gz BORHVZBGAXBAJO-NSHDSACASA-N 1 1 263.345 0.171 10 0 CCAEMO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)nn1 ZINC000105800621 186072756 /nfs/dbraw/zinc/07/27/56/186072756.db2.gz BORHVZBGAXBAJO-NSHDSACASA-N 1 1 263.345 0.171 10 0 CCAEMO C[N@@H+](CCC1CC1)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000135268017 350390549 /nfs/dbraw/zinc/39/05/49/350390549.db2.gz MWQYCLMVEXWTMK-LBPRGKRZSA-N 1 1 267.373 0.442 10 0 CCAEMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CC(N)=O)C1 ZINC000135466836 350397609 /nfs/dbraw/zinc/39/76/09/350397609.db2.gz SJHBYABHWWHZET-QWHCGFSZSA-N 1 1 276.336 0.750 10 0 CCAEMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CC(N)=O)C1 ZINC000135466836 350397610 /nfs/dbraw/zinc/39/76/10/350397610.db2.gz SJHBYABHWWHZET-QWHCGFSZSA-N 1 1 276.336 0.750 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCS(=O)(=O)CC ZINC000136074896 350414747 /nfs/dbraw/zinc/41/47/47/350414747.db2.gz WTBJPSWRMAJHRA-QWHCGFSZSA-N 1 1 274.430 0.980 10 0 CCAEMO CC[C@H]1CN(CC(=O)N(CC)CC)CC[N@H+]1C[C@@H](C)O ZINC000105825144 186074906 /nfs/dbraw/zinc/07/49/06/186074906.db2.gz QRDAOZWNACRHCN-KGLIPLIRSA-N 1 1 285.432 0.632 10 0 CCAEMO CC[C@@H]1CN(Cc2cnn(C)c2)CC[N@H+]1CCOC ZINC000105837272 186075415 /nfs/dbraw/zinc/07/54/15/186075415.db2.gz GFDLBZPPBQVAQP-CQSZACIVSA-N 1 1 266.389 0.963 10 0 CCAEMO CC[C@@H]1CN(CC(=O)N(C)CC2CC2)CC[N@H+]1CCOC ZINC000105837158 186076849 /nfs/dbraw/zinc/07/68/49/186076849.db2.gz ILCZYAVDLXQIEP-OAHLLOKOSA-N 1 1 297.443 0.897 10 0 CCAEMO CC[C@@H]1CN([C@@H](C)C(=O)OC)CC[N@H+]1CCOC ZINC000105914552 186089536 /nfs/dbraw/zinc/08/95/36/186089536.db2.gz WDRYPZWAECHKPQ-NWDGAFQWSA-N 1 1 258.362 0.591 10 0 CCAEMO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923683 186090500 /nfs/dbraw/zinc/09/05/00/186090500.db2.gz KRPBQDJRQHZLBG-LBPRGKRZSA-N 1 1 294.355 0.118 10 0 CCAEMO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923683 186090502 /nfs/dbraw/zinc/09/05/02/186090502.db2.gz KRPBQDJRQHZLBG-LBPRGKRZSA-N 1 1 294.355 0.118 10 0 CCAEMO C[NH+]1CCN(C(=O)N2Cc3ccc(N)cc3C2)CC1 ZINC000144277664 350462922 /nfs/dbraw/zinc/46/29/22/350462922.db2.gz IIBDMFAQHMQUFW-UHFFFAOYSA-N 1 1 260.341 0.952 10 0 CCAEMO CC(C)NC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898068 186085313 /nfs/dbraw/zinc/08/53/13/186085313.db2.gz LXIOTACGTLCPMN-NSHDSACASA-N 1 1 251.334 0.440 10 0 CCAEMO CC(C)NC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898068 186085314 /nfs/dbraw/zinc/08/53/14/186085314.db2.gz LXIOTACGTLCPMN-NSHDSACASA-N 1 1 251.334 0.440 10 0 CCAEMO COC(=O)Cn1cc(CC[NH+]2[C@H](C)COC[C@H]2C)nn1 ZINC000151497308 350503104 /nfs/dbraw/zinc/50/31/04/350503104.db2.gz SPNSJNUJBDJYSQ-GHMZBOCLSA-N 1 1 282.344 0.103 10 0 CCAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccnn2C)C1 ZINC000154922401 350604256 /nfs/dbraw/zinc/60/42/56/350604256.db2.gz KMGFQHPVYSNWMN-MNOVXSKESA-N 1 1 293.371 0.204 10 0 CCAEMO CC[C@H]1CN(C(=O)C[NH2+]C2CC2)CCN1C[C@@H](C)O ZINC000154653972 350595728 /nfs/dbraw/zinc/59/57/28/350595728.db2.gz WGFQBPBHBIOOQJ-YPMHNXCESA-N 1 1 269.389 0.042 10 0 CCAEMO CC[NH+](CC)CCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000170240599 350842830 /nfs/dbraw/zinc/84/28/30/350842830.db2.gz GKWBGOXNMUHCTJ-SNVBAGLBSA-N 1 1 265.361 0.368 10 0 CCAEMO CC[NH+](CC)CCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000170240599 350842832 /nfs/dbraw/zinc/84/28/32/350842832.db2.gz GKWBGOXNMUHCTJ-SNVBAGLBSA-N 1 1 265.361 0.368 10 0 CCAEMO CC[C@H](C)C[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000111253199 186378284 /nfs/dbraw/zinc/37/82/84/186378284.db2.gz IFRCODVUNULSNC-RYUDHWBXSA-N 1 1 269.389 0.688 10 0 CCAEMO O=C(c1ccc2c(c1)C(=O)NC2=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171471270 350911087 /nfs/dbraw/zinc/91/10/87/350911087.db2.gz FLXYDNLXWMGZSG-NSHDSACASA-N 1 1 299.330 0.490 10 0 CCAEMO 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/nfs/dbraw/zinc/14/21/99/327142199.db2.gz NPUZMOVWWNELTK-NXEZZACHSA-N 1 1 271.361 0.313 10 0 CCAEMO C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1O ZINC000299905928 327142200 /nfs/dbraw/zinc/14/22/00/327142200.db2.gz NPUZMOVWWNELTK-NXEZZACHSA-N 1 1 271.361 0.313 10 0 CCAEMO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000384947291 336134739 /nfs/dbraw/zinc/13/47/39/336134739.db2.gz UYTCDNFHOFNGGE-QWRGUYRKSA-N 1 1 271.361 0.313 10 0 CCAEMO CN(C)c1nc(Cl)nc(NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000061538156 522323495 /nfs/dbraw/zinc/32/34/95/522323495.db2.gz GUWGIIVWCHDMOV-QMMMGPOBSA-N 1 1 270.768 0.955 10 0 CCAEMO CC(C)CNC(=O)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049568428 519740602 /nfs/dbraw/zinc/74/06/02/519740602.db2.gz SOMMSNCSBBWTKS-YNEHKIRRSA-N 1 1 253.390 0.973 10 0 CCAEMO CC(C)CNC(=O)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049568428 519740605 /nfs/dbraw/zinc/74/06/05/519740605.db2.gz SOMMSNCSBBWTKS-YNEHKIRRSA-N 1 1 253.390 0.973 10 0 CCAEMO CCN[C@@H](CC[N@@H+]1CCOC[C@H]1CC)C(=O)OC ZINC000062451114 520088179 /nfs/dbraw/zinc/08/81/79/520088179.db2.gz RHYWOURFUMEWMZ-NEPJUHHUSA-N 1 1 258.362 0.638 10 0 CCAEMO CCN[C@@H](CC[N@H+]1CCOC[C@H]1CC)C(=O)OC ZINC000062451114 520088183 /nfs/dbraw/zinc/08/81/83/520088183.db2.gz RHYWOURFUMEWMZ-NEPJUHHUSA-N 1 1 258.362 0.638 10 0 CCAEMO COC[C@H](C)NC(=O)CN[C@@H](C)C[NH+]1CCCC1 ZINC000049291015 522603118 /nfs/dbraw/zinc/60/31/18/522603118.db2.gz RRQAGOFMBXPAMF-RYUDHWBXSA-N 1 1 257.378 0.211 10 0 CCAEMO COCC[N@@H+](C)CCNC(=O)[C@@H](C(N)=S)C(C)C ZINC000061381057 523597210 /nfs/dbraw/zinc/59/72/10/523597210.db2.gz JGAAZOFNSVCQDG-SNVBAGLBSA-N 1 1 275.418 0.239 10 0 CCAEMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1=O ZINC000049577591 523704070 /nfs/dbraw/zinc/70/40/70/523704070.db2.gz LACCBCFGVQXURW-SNVBAGLBSA-N 1 1 254.236 0.812 10 0 CCAEMO CN1CCCC[C@H]1CNC(=O)c1ccc(NN)[nH+]c1 ZINC000051114587 523797453 /nfs/dbraw/zinc/79/74/53/523797453.db2.gz SSONEDJTCIWFPF-NSHDSACASA-N 1 1 263.345 0.581 10 0 CCAEMO CC(C)(C)OC(=O)N1CCN[C@@H](CN2CC[NH2+]CC2)C1 ZINC000616569395 545103102 /nfs/dbraw/zinc/10/31/02/545103102.db2.gz SYOMVCHVRCBCME-LBPRGKRZSA-N 1 1 284.404 0.101 10 0 CCAEMO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC[NH2+]1 ZINC000062709117 525052521 /nfs/dbraw/zinc/05/25/21/525052521.db2.gz LINGWWSSXMWJNU-SECBINFHSA-N 1 1 295.364 0.164 10 0 CCAEMO COCc1nc(CNC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)n[nH]1 ZINC000666120812 545113163 /nfs/dbraw/zinc/11/31/63/545113163.db2.gz UBHGAKVEIOIDHV-NXEZZACHSA-N 1 1 296.375 0.043 10 0 CCAEMO O=C(NC[C@H]1CCc2ccccc21)[C@H]1COCC[NH2+]1 ZINC000157672067 526620196 /nfs/dbraw/zinc/62/01/96/526620196.db2.gz VNNUVHNGENKREL-TZMCWYRMSA-N 1 1 260.337 0.821 10 0 CCAEMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCC[C@@H]2CCCC[C@H]21 ZINC000184726349 526819683 /nfs/dbraw/zinc/81/96/83/526819683.db2.gz ZPDGFFTVEGUNQQ-GBJTYRQASA-N 1 1 296.411 0.595 10 0 CCAEMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCC[C@@H]2CCCC[C@H]21 ZINC000184726349 526819689 /nfs/dbraw/zinc/81/96/89/526819689.db2.gz ZPDGFFTVEGUNQQ-GBJTYRQASA-N 1 1 296.411 0.595 10 0 CCAEMO Cc1ccc(C[N@H+]2CC[C@](O)(Cn3ccnn3)C2)o1 ZINC000671491556 545249846 /nfs/dbraw/zinc/24/98/46/545249846.db2.gz ZVYXYCWCODOBOO-CYBMUJFWSA-N 1 1 262.313 0.817 10 0 CCAEMO CCCCOC[C@@H](O)C[N@@H+](C)C[C@@H]1CN(C)CCO1 ZINC000683923820 545586553 /nfs/dbraw/zinc/58/65/53/545586553.db2.gz KMTWAUSYADEYJL-KBPBESRZSA-N 1 1 274.405 0.426 10 0 CCAEMO CC(C)[C@@](O)(C(=O)OCC1=CC[N@H+]2CCC[C@@H]12)[C@@H](C)O ZINC000000899756 560179403 /nfs/dbraw/zinc/17/94/03/560179403.db2.gz DRVWTOSBCBKXOR-ZLDLUXBVSA-N 1 1 283.368 0.702 10 0 biogenic,in-vitro CCAEMO CCOC(=O)CCc1nc([C@]2([NH3+])CN3CCC2CC3)no1 ZINC000757184448 581697840 /nfs/dbraw/zinc/69/78/40/581697840.db2.gz XWWSUGNAVWMGMF-AWEZNQCLSA-N 1 1 294.355 0.445 10 0 CCAEMO CC(C)Cc1c(N)nc(N2CC[NH2+]CC2)[nH]c1=O ZINC000757180073 581697872 /nfs/dbraw/zinc/69/78/72/581697872.db2.gz UCGOYXMZLHXYKX-UHFFFAOYSA-N 1 1 251.334 0.373 10 0 CCAEMO Nc1nc(N2CC[NH2+]CC2)[nH]c(=O)c1-c1ccc(F)cc1 ZINC000757180272 581697960 /nfs/dbraw/zinc/69/79/60/581697960.db2.gz ZDYIHBMXQKDLML-UHFFFAOYSA-N 1 1 289.314 0.980 10 0 CCAEMO CC(=O)O[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000897161946 614227405 /nfs/dbraw/zinc/22/74/05/614227405.db2.gz IKAMJPJQPMTKJR-MJBXVCDLSA-N 1 1 296.367 0.404 10 0 CCAEMO CC[N@H+]1CCC[C@H]1CN(C)Cn1nc2cnccn2c1=O ZINC000133395712 615144220 /nfs/dbraw/zinc/14/42/20/615144220.db2.gz XBKOMENXXZYXQH-LBPRGKRZSA-N 1 1 290.371 0.265 10 0 CCAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826683773 615920606 /nfs/dbraw/zinc/92/06/06/615920606.db2.gz CBPSALYKEMPKFU-KBPBESRZSA-N 1 1 291.399 0.833 10 0 CCAEMO COC(=O)c1ncn(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000153239145 616275943 /nfs/dbraw/zinc/27/59/43/616275943.db2.gz RHOLIDZGBMXHLO-WDEREUQCSA-N 1 1 279.344 0.191 10 0 CCAEMO COCc1nn(C)cc1C(=O)N1C[C@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000908331694 616967628 /nfs/dbraw/zinc/96/76/28/616967628.db2.gz VKIABOWYQVJNHW-VXGBXAGGSA-N 1 1 292.383 0.590 10 0 CCAEMO OCCC[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000310558902 623347953 /nfs/dbraw/zinc/34/79/53/623347953.db2.gz JFEJSPYRTYYCPG-UONOGXRCSA-N 1 1 256.390 0.680 10 0 CCAEMO Nc1nc(C2CC2)nc(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000311885118 623810804 /nfs/dbraw/zinc/81/08/04/623810804.db2.gz VMEMFBRJGYBGPP-SNVBAGLBSA-N 1 1 260.345 0.616 10 0 CCAEMO CCCn1cc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)ccc1=O ZINC000328403844 623882082 /nfs/dbraw/zinc/88/20/82/623882082.db2.gz WKGSOWRCEDVKCA-MFKMUULPSA-N 1 1 279.340 0.574 10 0 CCAEMO CC[NH2+]Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686475 624971685 /nfs/dbraw/zinc/97/16/85/624971685.db2.gz WOYJOIAAWOJCLD-ZJUUUORDSA-N 1 1 252.318 0.715 10 0 CCAEMO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000334479542 625765535 /nfs/dbraw/zinc/76/55/35/625765535.db2.gz SGTZSLQMTGACAR-VXGBXAGGSA-N 1 1 283.397 0.214 10 0 CCAEMO Cc1ncc(C(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)n1C ZINC000911418572 636248997 /nfs/dbraw/zinc/24/89/97/636248997.db2.gz OZJFRKJASFXHNL-UPJWGTAASA-N 1 1 292.383 0.446 10 0 CCAEMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]1C ZINC000227754541 637034447 /nfs/dbraw/zinc/03/44/47/637034447.db2.gz CEPVFSZKRYFMFX-SDDRHHMPSA-N 1 1 270.373 0.888 10 0 CCAEMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCO1 ZINC000248038037 638322215 /nfs/dbraw/zinc/32/22/15/638322215.db2.gz SDJBYQFQKMGIFX-YCPHGPKFSA-N 1 1 296.411 0.861 10 0 CCAEMO S=c1ncccn1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172962169 639911747 /nfs/dbraw/zinc/91/17/47/639911747.db2.gz AWPOTOGYMQQMPR-LBPRGKRZSA-N 1 1 280.397 0.977 10 0 CCAEMO Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2ccncc2F)cn1 ZINC000862496041 645003521 /nfs/dbraw/zinc/00/35/21/645003521.db2.gz MIUAKUQDXCPRBS-UONOGXRCSA-N 1 1 292.314 0.890 10 0 CCAEMO c1ncn([C@H]2CCC[N@H+](CCC3OCCO3)C2)n1 ZINC000124209478 646313799 /nfs/dbraw/zinc/31/37/99/646313799.db2.gz ABFUNRNFXMICAQ-NSHDSACASA-N 1 1 252.318 0.678 10 0 CCAEMO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1C[C@@H]1COCCO1 ZINC000930412917 648859554 /nfs/dbraw/zinc/85/95/54/648859554.db2.gz WZCIFGSJAVFZGG-YIYPIFLZSA-N 1 1 271.357 0.264 10 0 CCAEMO C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000246875500 649693173 /nfs/dbraw/zinc/69/31/73/649693173.db2.gz GIOSLJUGPISFFU-CHWSQXEVSA-N 1 1 267.373 0.219 10 0 CCAEMO C[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000246875500 649693177 /nfs/dbraw/zinc/69/31/77/649693177.db2.gz GIOSLJUGPISFFU-CHWSQXEVSA-N 1 1 267.373 0.219 10 0 CCAEMO [NH3+]Cc1nc(-c2nc([C@H]3CN4CCN3CC4)no2)cs1 ZINC000094506453 649743816 /nfs/dbraw/zinc/74/38/16/649743816.db2.gz ZIJDPVGSYNLTFS-SECBINFHSA-N 1 1 292.368 0.324 10 0 CCAEMO COC(=O)[C@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC000095015406 649751659 /nfs/dbraw/zinc/75/16/59/649751659.db2.gz RXBVWNRZCIGZOB-MNOVXSKESA-N 1 1 254.330 0.350 10 0 CCAEMO C[C@@H](O)C[NH+]1CCN(C(=O)/C=C\c2ccc(O)cc2)CC1 ZINC000588538415 791609720 /nfs/dbraw/zinc/60/97/20/791609720.db2.gz GFMGABMQZUQAHU-LLPBQKLSSA-N 1 1 290.363 0.930 10 0 CCAEMO O=C([O-])[C@]12CCC[C@H]1C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000701456321 977014263 /nfs/dbraw/zinc/01/42/63/977014263.db2.gz GFKJCLBDUSIMRD-YDHLFZDLSA-N 1 1 282.384 0.630 10 0 CCAEMO CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722681463 978162874 /nfs/dbraw/zinc/16/28/74/978162874.db2.gz GSKKPXLEDBVHDQ-IJLUTSLNSA-N 1 1 258.362 0.342 10 0 CCAEMO CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722681463 978162881 /nfs/dbraw/zinc/16/28/81/978162881.db2.gz GSKKPXLEDBVHDQ-IJLUTSLNSA-N 1 1 258.362 0.342 10 0 CCAEMO CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722681463 978162882 /nfs/dbraw/zinc/16/28/82/978162882.db2.gz GSKKPXLEDBVHDQ-IJLUTSLNSA-N 1 1 258.362 0.342 10 0 CCAEMO CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722681463 978162886 /nfs/dbraw/zinc/16/28/86/978162886.db2.gz GSKKPXLEDBVHDQ-IJLUTSLNSA-N 1 1 258.362 0.342 10 0 CCAEMO CCOC(=O)CCCCC[N@H+]1CCO[C@H](CO)C1 ZINC000094268188 349564706 /nfs/dbraw/zinc/56/47/06/349564706.db2.gz HWUARYMNUHFHMQ-LBPRGKRZSA-N 1 1 259.346 0.803 10 0 CCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCCO1 ZINC000102770336 349684352 /nfs/dbraw/zinc/68/43/52/349684352.db2.gz RSBDHSRWXVHYCN-YPMHNXCESA-N 1 1 297.399 0.223 10 0 CCAEMO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000102770336 349684353 /nfs/dbraw/zinc/68/43/53/349684353.db2.gz RSBDHSRWXVHYCN-YPMHNXCESA-N 1 1 297.399 0.223 10 0 CCAEMO CC(=O)NCCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105139616 349720011 /nfs/dbraw/zinc/72/00/11/349720011.db2.gz BOPIGVFGFFZEPV-ZDUSSCGKSA-N 1 1 282.388 0.392 10 0 CCAEMO CC(C)NC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882827 349726880 /nfs/dbraw/zinc/72/68/80/349726880.db2.gz VRSKYAVWTLOBHV-GFCCVEGCSA-N 1 1 265.361 0.515 10 0 CCAEMO OCCC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105917064 349729320 /nfs/dbraw/zinc/72/93/20/349729320.db2.gz IKZHCBQRBDAXKT-UHFFFAOYSA-N 1 1 280.372 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1 268.361 0.132 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)Nc2nncs2)C[C@H]1C ZINC000172273066 350971499 /nfs/dbraw/zinc/97/14/99/350971499.db2.gz MQWAVUWZDDOXIO-SECBINFHSA-N 1 1 285.373 0.723 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)Nc2nncs2)C[C@H]1C ZINC000172273066 350971503 /nfs/dbraw/zinc/97/15/03/350971503.db2.gz MQWAVUWZDDOXIO-SECBINFHSA-N 1 1 285.373 0.723 10 0 CCAEMO COCC[N@@H+]1CCN(C(=O)NCc2ccncc2)C[C@@H]1C ZINC000172320496 350976311 /nfs/dbraw/zinc/97/63/11/350976311.db2.gz IRHDAFNSCIAXJO-ZDUSSCGKSA-N 1 1 292.383 0.944 10 0 CCAEMO COCC[N@H+]1CCN(C(=O)NCc2ccncc2)C[C@@H]1C ZINC000172320496 350976314 /nfs/dbraw/zinc/97/63/14/350976314.db2.gz IRHDAFNSCIAXJO-ZDUSSCGKSA-N 1 1 292.383 0.944 10 0 CCAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCOCCOC ZINC000174039956 351067518 /nfs/dbraw/zinc/06/75/18/351067518.db2.gz YQAGAKJXIXPBJS-ZIAGYGMSSA-N 1 1 299.415 0.918 10 0 CCAEMO CCCN(C)S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173361837 351036475 /nfs/dbraw/zinc/03/64/75/351036475.db2.gz JYQGSTWUOBDKNO-LLVKDONJSA-N 1 1 261.391 0.353 10 0 CCAEMO c1ncn([C@H]2CCC[N@H+](CCCN3CCOCC3)C2)n1 ZINC000173651658 351048820 /nfs/dbraw/zinc/04/88/20/351048820.db2.gz DYGHGIPJMDDQJA-AWEZNQCLSA-N 1 1 279.388 0.637 10 0 CCAEMO CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173948273 351063691 /nfs/dbraw/zinc/06/36/91/351063691.db2.gz FUXCCMHSTZKOLH-AWEZNQCLSA-N 1 1 281.400 0.261 10 0 CCAEMO CCNC(=O)NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000175038749 351115050 /nfs/dbraw/zinc/11/50/50/351115050.db2.gz BAQAMYGFASEPFH-VXGBXAGGSA-N 1 1 282.388 0.391 10 0 CCAEMO COCCCS(=O)(=O)NCC[N@@H+]1CCS[C@@H](C)C1 ZINC000175179237 351121122 /nfs/dbraw/zinc/12/11/22/351121122.db2.gz GYXDSFRZNMESLX-NSHDSACASA-N 1 1 296.458 0.380 10 0 CCAEMO COCCCS(=O)(=O)NCC[N@H+]1CCS[C@@H](C)C1 ZINC000175179237 351121126 /nfs/dbraw/zinc/12/11/26/351121126.db2.gz GYXDSFRZNMESLX-NSHDSACASA-N 1 1 296.458 0.380 10 0 CCAEMO Cc1noc(C)c1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174300647 351077929 /nfs/dbraw/zinc/07/79/29/351077929.db2.gz KHWUNFWODMMVQJ-VHSXEESVSA-N 1 1 281.356 0.819 10 0 CCAEMO Cc1noc(C)c1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174300647 351077934 /nfs/dbraw/zinc/07/79/34/351077934.db2.gz KHWUNFWODMMVQJ-VHSXEESVSA-N 1 1 281.356 0.819 10 0 CCAEMO Cc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cnn1C ZINC000174337807 351080697 /nfs/dbraw/zinc/08/06/97/351080697.db2.gz BPRINAISXMEWQK-GHMZBOCLSA-N 1 1 280.372 0.256 10 0 CCAEMO Cc1c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cnn1C ZINC000174337807 351080698 /nfs/dbraw/zinc/08/06/98/351080698.db2.gz BPRINAISXMEWQK-GHMZBOCLSA-N 1 1 280.372 0.256 10 0 CCAEMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000174611721 351095025 /nfs/dbraw/zinc/09/50/25/351095025.db2.gz RNJQPNJSDVWHOO-KGLIPLIRSA-N 1 1 292.383 0.804 10 0 CCAEMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000174611721 351095030 /nfs/dbraw/zinc/09/50/30/351095030.db2.gz RNJQPNJSDVWHOO-KGLIPLIRSA-N 1 1 292.383 0.804 10 0 CCAEMO CC[C@@H]1CN(C(=O)c2c[nH]nc2C)CC[N@H+]1C[C@@H](C)O ZINC000174643290 351096453 /nfs/dbraw/zinc/09/64/53/351096453.db2.gz OIWFPQABCVORRJ-ZYHUDNBSSA-N 1 1 280.372 0.635 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCOC ZINC000175394284 351127916 /nfs/dbraw/zinc/12/79/16/351127916.db2.gz UXVAHPOKWNHNPV-LLVKDONJSA-N 1 1 264.391 0.379 10 0 CCAEMO [NH3+]Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cs1 ZINC000178572641 351235524 /nfs/dbraw/zinc/23/55/24/351235524.db2.gz YYGSMLULQYKEME-USUYBEQLSA-N 1 1 281.381 0.835 10 0 CCAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)C1 ZINC000177175664 351196471 /nfs/dbraw/zinc/19/64/71/351196471.db2.gz SCJXPAVHPKTTOC-VXGBXAGGSA-N 1 1 276.340 0.319 10 0 CCAEMO CCN(CC)CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179189855 351261195 /nfs/dbraw/zinc/26/11/95/351261195.db2.gz BNLYHZCCKKLLDR-OAHLLOKOSA-N 1 1 297.443 0.899 10 0 CCAEMO CCN(CC)CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179189855 351261198 /nfs/dbraw/zinc/26/11/98/351261198.db2.gz BNLYHZCCKKLLDR-OAHLLOKOSA-N 1 1 297.443 0.899 10 0 CCAEMO CCNC(=O)C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178293501 351227359 /nfs/dbraw/zinc/22/73/59/351227359.db2.gz BDOYETWBHLZZIP-LBPRGKRZSA-N 1 1 250.346 0.792 10 0 CCAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCOCCO ZINC000178331242 351228522 /nfs/dbraw/zinc/22/85/22/351228522.db2.gz LVVBXHRNSDFCEG-ZDUSSCGKSA-N 1 1 253.346 0.665 10 0 CCAEMO C[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@@H]1N1CCOCC1 ZINC000180236334 351281854 /nfs/dbraw/zinc/28/18/54/351281854.db2.gz SPDHHXURLXLKGM-YPMHNXCESA-N 1 1 250.346 0.562 10 0 CCAEMO C[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@@H]1N1CCOCC1 ZINC000180236334 351281860 /nfs/dbraw/zinc/28/18/60/351281860.db2.gz SPDHHXURLXLKGM-YPMHNXCESA-N 1 1 250.346 0.562 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ncnn1C ZINC000181279496 351310516 /nfs/dbraw/zinc/31/05/16/351310516.db2.gz HNBCBDSDIWAAPA-SNVBAGLBSA-N 1 1 266.349 0.763 10 0 CCAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2CCCCO2)cn1 ZINC000181382225 351315717 /nfs/dbraw/zinc/31/57/17/351315717.db2.gz LMDKFWFQQDDFDS-STQMWFEESA-N 1 1 278.356 0.462 10 0 CCAEMO CCC[C@@H](C(=O)N(C)C[C@H](C)c1nn[nH]n1)[NH+](C)C ZINC000183400745 351379860 /nfs/dbraw/zinc/37/98/60/351379860.db2.gz WWIAAIDGTLARSP-UWVGGRQHSA-N 1 1 268.365 0.492 10 0 CCAEMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC(=O)NCC1CC1 ZINC000183778457 351390463 /nfs/dbraw/zinc/39/04/63/351390463.db2.gz MIAQOLJGNFYDEV-CYBMUJFWSA-N 1 1 296.415 0.494 10 0 CCAEMO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183803235 351391621 /nfs/dbraw/zinc/39/16/21/351391621.db2.gz NYIHKQPOJQSTME-LLVKDONJSA-N 1 1 291.355 0.177 10 0 CCAEMO C[C@H](C(=O)NC(N)=O)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183803235 351391624 /nfs/dbraw/zinc/39/16/24/351391624.db2.gz NYIHKQPOJQSTME-LLVKDONJSA-N 1 1 291.355 0.177 10 0 CCAEMO O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184011183 351398145 /nfs/dbraw/zinc/39/81/45/351398145.db2.gz KTHCMXHCZMQFOD-OLZOCXBDSA-N 1 1 274.320 0.456 10 0 CCAEMO Cn1nccc1CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000185369085 351445184 /nfs/dbraw/zinc/44/51/84/351445184.db2.gz IMFZHBLDRGEFQP-CYBMUJFWSA-N 1 1 262.357 0.659 10 0 CCAEMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184740205 351421072 /nfs/dbraw/zinc/42/10/72/351421072.db2.gz QIHLSXDXCOCZNC-IYIPPKHMSA-N 1 1 284.400 0.497 10 0 CCAEMO CCOCCONC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000186008689 351471951 /nfs/dbraw/zinc/47/19/51/351471951.db2.gz ABCSNRDHUGDFOE-RYUDHWBXSA-N 1 1 271.361 0.833 10 0 CCAEMO CSC[C@@H](O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000187886085 351561328 /nfs/dbraw/zinc/56/13/28/351561328.db2.gz RPBNMLJXTUUTEC-PWSUYJOCSA-N 1 1 255.387 0.933 10 0 CCAEMO Cc1[nH+]ccn1C[C@H]1CCCN1[C@@H](C)c1nnnn1C ZINC000189510193 351685012 /nfs/dbraw/zinc/68/50/12/351685012.db2.gz DFOUWOMOHJABPD-CMPLNLGQSA-N 1 1 275.360 0.941 10 0 CCAEMO C[C@@H](C(=O)N1CCC[C@H](CN2CCOCC2)C1)[C@H](C)[NH3+] ZINC000192109234 351783872 /nfs/dbraw/zinc/78/38/72/351783872.db2.gz PJJHZOHFPYFLAZ-HZSPNIEDSA-N 1 1 283.416 0.541 10 0 CCAEMO CC(C)n1nnnc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193616810 351836221 /nfs/dbraw/zinc/83/62/21/351836221.db2.gz FALZEUXMVWATPE-PHIMTYICSA-N 1 1 250.350 0.247 10 0 CCAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Cn3cccn3)CC2)CCO1 ZINC000193666338 351840436 /nfs/dbraw/zinc/84/04/36/351840436.db2.gz ATLIKMHMFDWGQJ-CYBMUJFWSA-N 1 1 292.383 0.595 10 0 CCAEMO Cc1ccn(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(=O)c1 ZINC000194607163 351876506 /nfs/dbraw/zinc/87/65/06/351876506.db2.gz WUKBFVOIUROGRB-ZDUSSCGKSA-N 1 1 275.352 0.463 10 0 CCAEMO CN1N=C(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC1=O ZINC000195079757 351896545 /nfs/dbraw/zinc/89/65/45/351896545.db2.gz UVIGGSNISUJCQV-NSHDSACASA-N 1 1 278.356 0.291 10 0 CCAEMO NC(=O)NCCCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195086256 351896652 /nfs/dbraw/zinc/89/66/52/351896652.db2.gz POIOEPRCUUBOSI-GFCCVEGCSA-N 1 1 282.388 0.522 10 0 CCAEMO Cc1csc(=O)n1CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195323287 351910221 /nfs/dbraw/zinc/91/02/21/351910221.db2.gz JBYQCYBFVTXPEZ-LBPRGKRZSA-N 1 1 295.408 0.915 10 0 CCAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)C3)CC[C@@H]21 ZINC000223943274 351992558 /nfs/dbraw/zinc/99/25/58/351992558.db2.gz CSJQICANBGGTNC-WOPDTQHZSA-N 1 1 265.357 0.065 10 0 CCAEMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000227570789 352054786 /nfs/dbraw/zinc/05/47/86/352054786.db2.gz AHGAWVIBVZGFLF-LBPRGKRZSA-N 1 1 288.347 0.987 10 0 CCAEMO CCOC(=O)COCC[N@H+]1C[C@H](N(C)C)[C@@H](C)C1 ZINC000226080645 352019706 /nfs/dbraw/zinc/01/97/06/352019706.db2.gz QRQBPIDNOJIJBK-RYUDHWBXSA-N 1 1 258.362 0.448 10 0 CCAEMO CCOC(=O)COCC[N@@H+]1C[C@H](N(C)C)[C@@H](C)C1 ZINC000226080645 352019709 /nfs/dbraw/zinc/01/97/09/352019709.db2.gz QRQBPIDNOJIJBK-RYUDHWBXSA-N 1 1 258.362 0.448 10 0 CCAEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1COCCN1 ZINC000236911552 352226600 /nfs/dbraw/zinc/22/66/00/352226600.db2.gz RISYJSSIQBKVNM-OLZOCXBDSA-N 1 1 269.389 0.356 10 0 CCAEMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237508865 352269441 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COCCCCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246777686 285032372 /nfs/dbraw/zinc/03/23/72/285032372.db2.gz PUGZMCUJQMGLLO-STQMWFEESA-N 1 1 272.389 0.717 10 0 CCAEMO O=C([C@@H]1CCn2ccnc2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246785311 285032434 /nfs/dbraw/zinc/03/24/34/285032434.db2.gz MALKMEBLEVJFDA-OLZOCXBDSA-N 1 1 274.368 0.752 10 0 CCAEMO Cc1nnc([C@H](C)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)o1 ZINC000247233264 285045309 /nfs/dbraw/zinc/04/53/09/285045309.db2.gz RMOWOXHPIFTVQB-DCAQKATOSA-N 1 1 268.361 0.826 10 0 CCAEMO Cc1nnc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)s1 ZINC000247456330 285052271 /nfs/dbraw/zinc/05/22/71/285052271.db2.gz HXKUSHVTBMPRRY-IUCAKERBSA-N 1 1 299.400 0.765 10 0 CCAEMO Cc1nnc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)s1 ZINC000247456330 285052272 /nfs/dbraw/zinc/05/22/72/285052272.db2.gz HXKUSHVTBMPRRY-IUCAKERBSA-N 1 1 299.400 0.765 10 0 CCAEMO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN[C@@H](C)C2)C1 ZINC000335285376 208102467 /nfs/dbraw/zinc/10/24/67/208102467.db2.gz 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/nfs/dbraw/zinc/07/32/69/285073269.db2.gz PXBSKOPYEQYDIR-QWHCGFSZSA-N 1 1 272.389 0.620 10 0 CCAEMO CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC000248850764 285084714 /nfs/dbraw/zinc/08/47/14/285084714.db2.gz WFPKKWTWCACJFU-RDBSUJKOSA-N 1 1 284.400 0.574 10 0 CCAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)C[C@H]1C ZINC000248858410 285085104 /nfs/dbraw/zinc/08/51/04/285085104.db2.gz ZYGPDSRBPDWDAI-RFQIPJPRSA-N 1 1 284.400 0.573 10 0 CCAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCOC[C@@H]2C)C[C@H]1C ZINC000248858410 285085105 /nfs/dbraw/zinc/08/51/05/285085105.db2.gz ZYGPDSRBPDWDAI-RFQIPJPRSA-N 1 1 284.400 0.573 10 0 CCAEMO CO[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)CC[C@H]1C ZINC000251770429 285149261 /nfs/dbraw/zinc/14/92/61/285149261.db2.gz KUHUHLKYKGCVQR-FRRDWIJNSA-N 1 1 270.373 0.327 10 0 CCAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CN1CCCCC1=O ZINC000176979748 285234534 /nfs/dbraw/zinc/23/45/34/285234534.db2.gz HWSQWJIHRJDDRC-CYBMUJFWSA-N 1 1 281.400 0.942 10 0 CCAEMO 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1 1 299.415 0.600 10 0 CCAEMO C[C@]1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000190361555 388989510 /nfs/dbraw/zinc/98/95/10/388989510.db2.gz WQAJFRQTYOELSO-HIFRSBDPSA-N 1 1 282.384 0.613 10 0 CCAEMO COC(=O)[C@H]1C[N@H+](C[C@@H]2CCC=CO2)C[C@@H](C)O1 ZINC000191092939 389005448 /nfs/dbraw/zinc/00/54/48/389005448.db2.gz YSKDCVHQHPGFAX-GRYCIOLGSA-N 1 1 255.314 0.941 10 0 CCAEMO COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC=CO2)C[C@@H](C)O1 ZINC000191092939 389005451 /nfs/dbraw/zinc/00/54/51/389005451.db2.gz YSKDCVHQHPGFAX-GRYCIOLGSA-N 1 1 255.314 0.941 10 0 CCAEMO CC(C)[N@@H+](C)CCNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191367260 389010579 /nfs/dbraw/zinc/01/05/79/389010579.db2.gz GDWQJAOOUBQICY-NSHDSACASA-N 1 1 270.377 0.247 10 0 CCAEMO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000336791728 389019923 /nfs/dbraw/zinc/01/99/23/389019923.db2.gz OSSUTNALBVGFOS-BFHYXJOUSA-N 1 1 256.390 0.990 10 0 CCAEMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)[C@H]2C1 ZINC000355353596 389065267 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CC[N@H+]1CCC[C@H](NC(=O)NC2CCN(C(C)=O)CC2)C1 ZINC000194135025 389089413 /nfs/dbraw/zinc/08/94/13/389089413.db2.gz JDBRNKUGWJNLLR-AWEZNQCLSA-N 1 1 296.415 0.781 10 0 CCAEMO CCCCOC[C@@H](O)C[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000300296266 389044357 /nfs/dbraw/zinc/04/43/57/389044357.db2.gz WHQRMSHJYXXONR-QWHCGFSZSA-N 1 1 275.389 0.636 10 0 CCAEMO COC[C@@H](C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194741638 389103372 /nfs/dbraw/zinc/10/33/72/389103372.db2.gz FUQIFPMFFGKXHN-UPJWGTAASA-N 1 1 272.389 0.837 10 0 CCAEMO COC[C@@H](C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194741638 389103373 /nfs/dbraw/zinc/10/33/73/389103373.db2.gz FUQIFPMFFGKXHN-UPJWGTAASA-N 1 1 272.389 0.837 10 0 CCAEMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CNC(=O)C1 ZINC000194871612 389108138 /nfs/dbraw/zinc/10/81/38/389108138.db2.gz VLHQGWALZQZNGB-QWHCGFSZSA-N 1 1 281.400 0.893 10 0 CCAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000111649133 389111281 /nfs/dbraw/zinc/11/12/81/389111281.db2.gz 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