smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CN1Cc1ccccc1 ZINC000262265932 137033566 /nfs/dbraw/zinc/03/35/66/137033566.db2.gz RZGIYODULLFFBF-IUODEOHRSA-N 1 3 273.380 0.985 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000062972349 348673729 /nfs/dbraw/zinc/67/37/29/348673729.db2.gz ZLMMYGAGLRIFGY-CYBMUJFWSA-N 1 3 253.390 0.929 10 0 CCAEHO CN1CCC[C@@H](NC(=O)CCOC2CC[NH2+]CC2)C1 ZINC000104379581 185986806 /nfs/dbraw/zinc/98/68/06/185986806.db2.gz UEIVILYNXLTHKF-GFCCVEGCSA-N 1 3 269.389 0.356 10 0 CCAEHO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)N1CCNCC1 ZINC000129721357 350221381 /nfs/dbraw/zinc/22/13/81/350221381.db2.gz HRTJAYDBOPYQJM-CYBMUJFWSA-N 1 3 284.448 0.517 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CN1C1CC1 ZINC000130297848 350233850 /nfs/dbraw/zinc/23/38/50/350233850.db2.gz UBQKFNTYNHJVAD-DYEKYZERSA-N 1 3 280.416 0.957 10 0 CCAEHO C[NH+](C)CCCCNC(=O)C(C)(C)N1CCNCC1 ZINC000131272168 350270084 /nfs/dbraw/zinc/27/00/84/350270084.db2.gz ACEHLGVVOBBCGY-UHFFFAOYSA-N 1 3 270.421 0.128 10 0 CCAEHO C[N@@H+]1C[C@H](CO)C2(C1)CCN(C1CCOCC1)CC2 ZINC000169791318 350840267 /nfs/dbraw/zinc/84/02/67/350840267.db2.gz VRIMXQYLMRSQJQ-CYBMUJFWSA-N 1 3 268.401 0.802 10 0 CCAEHO C[N@H+]1C[C@H](CO)C2(C1)CCN(C1CCOCC1)CC2 ZINC000169791318 350840271 /nfs/dbraw/zinc/84/02/71/350840271.db2.gz VRIMXQYLMRSQJQ-CYBMUJFWSA-N 1 3 268.401 0.802 10 0 CCAEHO C[C@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)N(C)C1CC1 ZINC000226399420 352025607 /nfs/dbraw/zinc/02/56/07/352025607.db2.gz MEODCTZJRHIRNJ-GFCCVEGCSA-N 1 3 282.432 0.269 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000228916418 352086615 /nfs/dbraw/zinc/08/66/15/352086615.db2.gz YYODTRBINYCFKK-NFFDBFGFSA-N 1 3 295.427 0.681 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOC3CCOCC3)C[C@@H]12 ZINC000629519761 369689033 /nfs/dbraw/zinc/68/90/33/369689033.db2.gz QXNMMACWLAJNHU-MRVWCRGKSA-N 1 3 254.374 0.851 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638107775 374674537 /nfs/dbraw/zinc/67/45/37/374674537.db2.gz GPXBOXRFRSUAOK-DZGCQCFKSA-N 1 3 283.416 0.685 10 0 CCAEHO [NH3+]C[C@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCCOC1 ZINC000638109375 374675625 /nfs/dbraw/zinc/67/56/25/374675625.db2.gz ULRMUVAQXUZEGB-TZMCWYRMSA-N 1 3 267.373 0.049 10 0 CCAEHO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000334441766 206536680 /nfs/dbraw/zinc/53/66/80/206536680.db2.gz BXWNQKNVTOCLQA-JSGCOSHPSA-N 1 3 280.416 0.959 10 0 CCAEHO CC[N@H+](C)C[C@H](O)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000311945955 389106211 /nfs/dbraw/zinc/10/62/11/389106211.db2.gz KKRFWOMGETURPI-ZNMIVQPWSA-N 1 3 269.433 0.858 10 0 CCAEHO CC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000311945955 389106212 /nfs/dbraw/zinc/10/62/12/389106212.db2.gz KKRFWOMGETURPI-ZNMIVQPWSA-N 1 3 269.433 0.858 10 0 CCAEHO O[C@@H]1CNC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000335028457 389531762 /nfs/dbraw/zinc/53/17/62/389531762.db2.gz LCTWCHLCSIYPQN-MLZVIGOLSA-N 1 3 250.386 0.981 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[C@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000649316913 390574154 /nfs/dbraw/zinc/57/41/54/390574154.db2.gz ZBOHWCBGVKIDRM-DZGCQCFKSA-N 1 3 281.400 0.452 10 0 CCAEHO CN1CCC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000044538739 411629090 /nfs/dbraw/zinc/62/90/90/411629090.db2.gz GIIPVHWFADBDEV-PNESKVBLSA-N 1 3 253.390 0.962 10 0 CCAEHO CN(C)C1CN([C@@H](C[NH3+])C(F)(F)C(F)(F)F)C1 ZINC000616570098 411840191 /nfs/dbraw/zinc/84/01/91/411840191.db2.gz PXMHVVXMBBHRSR-ZETCQYMHSA-N 1 3 261.238 0.757 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022214502 171374899 /nfs/dbraw/zinc/37/48/99/171374899.db2.gz TZYIDHGHLAMCBW-UHFFFAOYSA-N 1 3 285.413 0.765 10 0 CCAEHO C([C@H]1CCC2(CNC2)O1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000662263226 414702465 /nfs/dbraw/zinc/70/24/65/414702465.db2.gz LKLHROWSWRSJIZ-QWHCGFSZSA-N 1 3 251.374 0.287 10 0 CCAEHO C([C@H]1CCC2(CNC2)O1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000662263226 414702466 /nfs/dbraw/zinc/70/24/66/414702466.db2.gz LKLHROWSWRSJIZ-QWHCGFSZSA-N 1 3 251.374 0.287 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNCCOC2)C1 ZINC000662845071 414835620 /nfs/dbraw/zinc/83/56/20/414835620.db2.gz DGUBDCPMYZFZPQ-CHWSQXEVSA-N 1 3 283.416 0.459 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNCCOC2)C1 ZINC000662845071 414835625 /nfs/dbraw/zinc/83/56/25/414835625.db2.gz DGUBDCPMYZFZPQ-CHWSQXEVSA-N 1 3 283.416 0.459 10 0 CCAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCN1CCCCC1 ZINC000089460653 544514218 /nfs/dbraw/zinc/51/42/18/544514218.db2.gz FOAKHTCPBLIAJB-CHWSQXEVSA-N 1 3 253.390 0.964 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000091393992 544526866 /nfs/dbraw/zinc/52/68/66/544526866.db2.gz DAAQIIHFTSLLLS-UPJWGTAASA-N 1 3 253.390 0.914 10 0 CCAEHO CC1(C)CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[C@@H]1[NH3+] ZINC000334920395 278307569 /nfs/dbraw/zinc/30/75/69/278307569.db2.gz DWZVFXVNQVWFCZ-AAEUAGOBSA-N 1 3 280.416 0.992 10 0 CCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163910182 278972749 /nfs/dbraw/zinc/97/27/49/278972749.db2.gz WRVXJWFXLJWLHX-AAEUAGOBSA-N 1 3 255.406 0.934 10 0 CCAEHO CN(C)[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000334928264 289370557 /nfs/dbraw/zinc/37/05/57/289370557.db2.gz JAUAOETVRFZMKM-STQMWFEESA-N 1 3 268.405 0.864 10 0 CCAEHO O=C(C1C[NH2+]C1)N1CCC[C@H](N2CCCCC2)C1 ZINC000367810649 295454691 /nfs/dbraw/zinc/45/46/91/295454691.db2.gz RHKMZBZQJKVTBG-ZDUSSCGKSA-N 1 3 251.374 0.683 10 0 CCAEHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCCN(C)C2)CC[NH2+]1 ZINC000262402250 300395920 /nfs/dbraw/zinc/39/59/20/300395920.db2.gz OHOYJUXTHGYYJY-AVGNSLFASA-N 1 3 253.390 0.927 10 0 CCAEHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCCN(C)C2)CC[NH2+]1 ZINC000235678803 300396066 /nfs/dbraw/zinc/39/60/66/300396066.db2.gz OHOYJUXTHGYYJY-RWMBFGLXSA-N 1 3 253.390 0.927 10 0 CCAEHO Cn1cc([C@@H](CN)N2CCC[C@@H]2C[NH+](C)C)cn1 ZINC000061641969 521874079 /nfs/dbraw/zinc/87/40/79/521874079.db2.gz OAQMYMBSIDGLTK-CHWSQXEVSA-N 1 3 251.378 0.446 10 0 CCAEHO CCOCCOC[C@@H](O)CN[C@@H](C)CC[NH+](C)C ZINC000049557136 519996646 /nfs/dbraw/zinc/99/66/46/519996646.db2.gz SQSKLSCJRUOEKP-STQMWFEESA-N 1 3 262.394 0.330 10 0 CCAEHO CC[NH2+][C@@H](C)CC(=O)NCCCN1CCN(C)CC1 ZINC000061273614 520064214 /nfs/dbraw/zinc/06/42/14/520064214.db2.gz FBASHFAGAOBIBB-ZDUSSCGKSA-N 1 3 270.421 0.128 10 0 CCAEHO CCCC[C@@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643143 521045129 /nfs/dbraw/zinc/04/51/29/521045129.db2.gz QNQWMTQVJNTZAM-AWEZNQCLSA-N 1 3 256.438 0.683 10 0 CCAEHO CN(C)CCN1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000061644453 521764755 /nfs/dbraw/zinc/76/47/55/521764755.db2.gz ZSLVCUPGRKTKJD-AWEZNQCLSA-N 1 3 254.422 0.308 10 0 CCAEHO CC[C@H]([NH2+]C)[C@@H](C)N1CCN(CCN(C)C)CC1 ZINC000061643853 522556780 /nfs/dbraw/zinc/55/67/80/522556780.db2.gz VYSDONYXKMJSNO-KGLIPLIRSA-N 1 3 256.438 0.552 10 0 CCAEHO Cc1ccc(C)c(OC[C@@H](O)CNCCC[NH3+])c1 ZINC000051356072 524178882 /nfs/dbraw/zinc/17/88/82/524178882.db2.gz LYZOXWUUGCCYML-ZDUSSCGKSA-N 1 3 252.358 0.982 10 0 CCAEHO CC[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(C)CC1 ZINC000616569676 545103099 /nfs/dbraw/zinc/10/30/99/545103099.db2.gz JLPYBCSNTVCVCM-DGCLKSJQSA-N 1 3 253.390 0.833 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](N)CC1CC1 ZINC000310667886 623438350 /nfs/dbraw/zinc/43/83/50/623438350.db2.gz FKHQXKICPSQGEP-RTXFEEFZSA-N 1 3 251.374 0.809 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](N)CC1CC1 ZINC000310667886 623438361 /nfs/dbraw/zinc/43/83/61/623438361.db2.gz FKHQXKICPSQGEP-RTXFEEFZSA-N 1 3 251.374 0.809 10 0 CCAEHO C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000090798880 349443765 /nfs/dbraw/zinc/44/37/65/349443765.db2.gz PRKPHWJYXGYSDS-XQQFMLRXSA-N 1 3 289.445 0.340 10 0 CCAEHO C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000090798880 349443768 /nfs/dbraw/zinc/44/37/68/349443768.db2.gz PRKPHWJYXGYSDS-XQQFMLRXSA-N 1 3 289.445 0.340 10 0 CCAEHO CCC[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)N(C)C ZINC000153129209 290674581 /nfs/dbraw/zinc/67/45/81/290674581.db2.gz GSPSJLGMHYQNLX-CQSZACIVSA-N 1 3 285.432 0.680 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000334926536 282261676 /nfs/dbraw/zinc/26/16/76/282261676.db2.gz DGYQOUFWFAOROO-NEPJUHHUSA-N 1 3 254.378 0.474 10 0 CCAEHO O=C(COC1CC[NH2+]CC1)N1CCN2CCC[C@@H]2C1 ZINC000113705043 349818256 /nfs/dbraw/zinc/81/82/56/349818256.db2.gz NQSIEOOCFRVXDH-GFCCVEGCSA-N 1 3 267.373 0.062 10 0 CCAEHO [NH3+]CCN(CCc1ccccc1)C(=O)COC1CNC1 ZINC000261656131 137014315 /nfs/dbraw/zinc/01/43/15/137014315.db2.gz DWBNGBMDDACLOY-UHFFFAOYSA-N 1 3 277.368 0.005 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129800088 350223276 /nfs/dbraw/zinc/22/32/76/350223276.db2.gz LEEWSSXYKJKVDH-CQSZACIVSA-N 1 3 296.459 0.613 10 0 CCAEHO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCCC2)CCN1C ZINC000151251294 350496778 /nfs/dbraw/zinc/49/67/78/350496778.db2.gz OWJJQEPWRUQMSI-ILXRZTDVSA-N 1 3 269.433 0.906 10 0 CCAEHO CN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171897797 350941448 /nfs/dbraw/zinc/94/14/48/350941448.db2.gz RPKFFSWWABHJRL-ZDUSSCGKSA-N 1 3 266.389 0.570 10 0 CCAEHO CN1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171897797 350941451 /nfs/dbraw/zinc/94/14/51/350941451.db2.gz RPKFFSWWABHJRL-ZDUSSCGKSA-N 1 3 266.389 0.570 10 0 CCAEHO CC(C)C[C@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH+](C)C ZINC000188708260 351619990 /nfs/dbraw/zinc/61/99/90/351619990.db2.gz KEQOOGTXRJZLST-LLVKDONJSA-N 1 3 293.415 0.762 10 0 CCAEHO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)O1 ZINC000249058408 352475681 /nfs/dbraw/zinc/47/56/81/352475681.db2.gz ZIHGVJRBIXOXIT-ZKXZWOTCSA-N 1 3 295.427 0.837 10 0 CCAEHO COC(=O)CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250362865 352504522 /nfs/dbraw/zinc/50/45/22/352504522.db2.gz GMERJPDFDDNVQZ-QWHCGFSZSA-N 1 3 297.399 0.130 10 0 CCAEHO O[C@H](CN[C@@H]1CCCC[C@H]1O)C[NH+]1CCCCC1 ZINC000386160591 357729826 /nfs/dbraw/zinc/72/98/26/357729826.db2.gz QMWLBOVROLBENG-MGPQQGTHSA-N 1 3 256.390 0.726 10 0 CCAEHO CCOC(=O)c1cccc([C@H]2CN(CC[NH3+])CCN2)c1 ZINC000616654730 365409432 /nfs/dbraw/zinc/40/94/32/365409432.db2.gz ODKKLSQPXDMMAY-CQSZACIVSA-N 1 3 277.368 0.768 10 0 CCAEHO C[C@@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)N(C)C1CC1 ZINC000634767454 372213873 /nfs/dbraw/zinc/21/38/73/372213873.db2.gz WXSSFIASAFCFOD-HUBLWGQQSA-N 1 3 265.401 0.975 10 0 CCAEHO CN(C)[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766950 372214289 /nfs/dbraw/zinc/21/42/89/372214289.db2.gz CCFOTHPLOAFPCG-YDHLFZDLSA-N 1 3 265.401 0.929 10 0 CCAEHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333362653 205256550 /nfs/dbraw/zinc/25/65/50/205256550.db2.gz LIEORQLMXGCCAB-QWHCGFSZSA-N 1 3 268.405 0.770 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)CCC1C[NH2+]C1 ZINC000638109005 374675919 /nfs/dbraw/zinc/67/59/19/374675919.db2.gz QOLCUAPGOCNDLR-ZDUSSCGKSA-N 1 3 253.390 0.929 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000638109918 374679059 /nfs/dbraw/zinc/67/90/59/374679059.db2.gz ZOAJIUIMCXPFAC-SGMGOOAPSA-N 1 3 267.373 0.060 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334916530 207288620 /nfs/dbraw/zinc/28/86/20/207288620.db2.gz BCTVGDMRTMKCNL-ZDUSSCGKSA-N 1 3 280.416 0.866 10 0 CCAEHO [NH3+]C1CCC(C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000037812663 397387380 /nfs/dbraw/zinc/38/73/80/397387380.db2.gz MLYKLZYTQACEJE-WXRRBKDZSA-N 1 3 251.374 0.811 10 0 CCAEHO COCCN(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653114453 412225495 /nfs/dbraw/zinc/22/54/95/412225495.db2.gz IRUCZQXXIWAGII-NXEZZACHSA-N 1 3 297.321 0.079 10 0 CCAEHO CN1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653113886 412226334 /nfs/dbraw/zinc/22/63/34/412226334.db2.gz QYUIBXCDSYIIDD-HBNTYKKESA-N 1 3 293.333 0.842 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653150267 412243322 /nfs/dbraw/zinc/24/33/22/412243322.db2.gz WWGUVXJMTVDXQA-OPRDCNLKSA-N 1 3 279.306 0.547 10 0 CCAEHO C[C@@H](O)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662256960 414700746 /nfs/dbraw/zinc/70/07/46/414700746.db2.gz KQUPIWUTWFLUDO-DGCLKSJQSA-N 1 3 254.374 0.600 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(N)CCOCC2)C1 ZINC000662855136 414846434 /nfs/dbraw/zinc/84/64/34/414846434.db2.gz VUDTYQOWHZAYGM-LLVKDONJSA-N 1 3 269.389 0.483 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(N)CCOCC2)C1 ZINC000662855136 414846440 /nfs/dbraw/zinc/84/64/40/414846440.db2.gz VUDTYQOWHZAYGM-LLVKDONJSA-N 1 3 269.389 0.483 10 0 CCAEHO CC[NH2+]C[C@@H](C)C(=O)Nc1ccnn1C1CNC1 ZINC000725258054 545880901 /nfs/dbraw/zinc/88/09/01/545880901.db2.gz DUAVFITWQLKRPW-SECBINFHSA-N 1 3 251.334 0.212 10 0 CCAEHO CC[C@@H](C[NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258741 545882639 /nfs/dbraw/zinc/88/26/39/545882639.db2.gz YNAPFDNYIGFFHU-SECBINFHSA-N 1 3 251.334 0.341 10 0 CCAEHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161020508 544703629 /nfs/dbraw/zinc/70/36/29/544703629.db2.gz LJIDHPYUZIYNRB-CHWSQXEVSA-N 1 3 253.390 0.977 10 0 CCAEHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)N1CCCC1 ZINC000252479109 544929399 /nfs/dbraw/zinc/92/93/99/544929399.db2.gz KHQXOMREGJKQBB-AVGNSLFASA-N 1 3 253.390 0.975 10 0 CCAEHO COc1ccc2c(c1)C[C@H](NC[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000263243201 274127304 /nfs/dbraw/zinc/12/73/04/274127304.db2.gz OYNAOCZRLKMUNV-LZWOXQAQSA-N 1 3 276.380 0.722 10 0 CCAEHO COc1ccc2c(c1)C[C@H](NC[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000263243198 274127583 /nfs/dbraw/zinc/12/75/83/274127583.db2.gz OYNAOCZRLKMUNV-FMKPAKJESA-N 1 3 276.380 0.722 10 0 CCAEHO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H](C)CN1 ZINC000333634229 287920861 /nfs/dbraw/zinc/92/08/61/287920861.db2.gz HCSHOQKCKSLDFU-IJLUTSLNSA-N 1 3 254.378 0.520 10 0 CCAEHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188707425 277385813 /nfs/dbraw/zinc/38/58/13/277385813.db2.gz WBHXKFIYSAHJCO-WCQYABFASA-N 1 3 271.380 0.923 10 0 CCAEHO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCCNCC2)C1 ZINC000334937235 289318694 /nfs/dbraw/zinc/31/86/94/289318694.db2.gz LWLUZYNCSVMUKN-VXGBXAGGSA-N 1 3 254.378 0.474 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000228221759 295319777 /nfs/dbraw/zinc/31/97/77/295319777.db2.gz WLGFTSIKFKFHSX-UPJWGTAASA-N 1 3 251.374 0.811 10 0 CCAEHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399095974 545089100 /nfs/dbraw/zinc/08/91/00/545089100.db2.gz SNQGOLSZUZOMQU-YJNKXOJESA-N 1 3 270.417 0.780 10 0 CCAEHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000399095974 545089101 /nfs/dbraw/zinc/08/91/01/545089101.db2.gz SNQGOLSZUZOMQU-YJNKXOJESA-N 1 3 270.417 0.780 10 0 CCAEHO CCCN1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000389523314 545086679 /nfs/dbraw/zinc/08/66/79/545086679.db2.gz AAYSGAJCNBLMHB-OLZOCXBDSA-N 1 3 253.390 0.977 10 0 CCAEHO CCO[C@H](C[NH3+])CCN1CCCC[C@@H]1C(=O)NC ZINC000062741106 520516241 /nfs/dbraw/zinc/51/62/41/520516241.db2.gz GCNBDYQLJYBWGT-NWDGAFQWSA-N 1 3 257.378 0.341 10 0 CCAEHO CN(C)CCN1CCN(C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000061643922 521764630 /nfs/dbraw/zinc/76/46/30/521764630.db2.gz IITFVGMDYNXXRJ-CYBMUJFWSA-N 1 3 256.438 0.539 10 0 CCAEHO COCC[C@@H](N)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000052809713 521822365 /nfs/dbraw/zinc/82/23/65/521822365.db2.gz MSZKCJLGENWFSF-LLVKDONJSA-N 1 3 271.405 0.776 10 0 CCAEHO COCC[C@H](N)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000052809714 521942283 /nfs/dbraw/zinc/94/22/83/521942283.db2.gz MSZKCJLGENWFSF-NSHDSACASA-N 1 3 271.405 0.776 10 0 CCAEHO CC[C@H](C)N1CCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000055072046 523955581 /nfs/dbraw/zinc/95/55/81/523955581.db2.gz GJAQNJTUDJMEGY-UONOGXRCSA-N 1 3 255.406 0.768 10 0 CCAEHO C[C@H]1CCC[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H]1[NH3+] ZINC000055136304 524178397 /nfs/dbraw/zinc/17/83/97/524178397.db2.gz RIPAFWCVBDTQQN-QNWHQSFQSA-N 1 3 253.390 0.960 10 0 CCAEHO [NH3+]C[C@H]1CC[C@H](CN2CCN(CC3CC3)CC2)O1 ZINC000052372475 527240974 /nfs/dbraw/zinc/24/09/74/527240974.db2.gz NMBDZUAFQQKADU-ZIAGYGMSSA-N 1 3 253.390 0.520 10 0 CCAEHO [NH3+]C1CCC(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000091667909 649708423 /nfs/dbraw/zinc/70/84/23/649708423.db2.gz PYLYXKNEUBUWOD-CLRIEMFWSA-N 1 3 281.400 0.483 10 0 CCAEHO CN(C)[C@@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCSC1 ZINC000261878641 282229970 /nfs/dbraw/zinc/22/99/70/282229970.db2.gz YTYSFEHJDQSDSY-YRGRVCCFSA-N 1 3 285.457 0.915 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@H]1CNC1CCN(c2ccccc2)CC1 ZINC000263261410 137062220 /nfs/dbraw/zinc/06/22/20/137062220.db2.gz RAUJIFFCUNFCLV-XJKSGUPXSA-N 1 3 275.396 0.825 10 0 CCAEHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000263283156 137062405 /nfs/dbraw/zinc/06/24/05/137062405.db2.gz UOJBZBFJTPDHDP-BSWAZPDLSA-N 1 3 289.423 0.992 10 0 CCAEHO N[C@@H](Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131698837 350283052 /nfs/dbraw/zinc/28/30/52/350283052.db2.gz SCFOKIVKHHSGDB-IXXDHKBRSA-N 1 3 273.380 0.956 10 0 CCAEHO COCC[N@H+](C)CCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171901692 350941095 /nfs/dbraw/zinc/94/10/95/350941095.db2.gz VGCYYYHZJFKUSU-CQSZACIVSA-N 1 3 298.431 0.444 10 0 CCAEHO COCC[N@@H+](C)CCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171901692 350941096 /nfs/dbraw/zinc/94/10/96/350941096.db2.gz VGCYYYHZJFKUSU-CQSZACIVSA-N 1 3 298.431 0.444 10 0 CCAEHO C[NH+](C)CC1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000336429172 213289718 /nfs/dbraw/zinc/28/97/18/213289718.db2.gz YANYPWDOFIGQDZ-NWDGAFQWSA-N 1 3 257.353 0.487 10 0 CCAEHO O=C(CC[C@H]1CCC[NH2+]1)N1CCN2CCC1CC2 ZINC000335050714 354950384 /nfs/dbraw/zinc/95/03/84/354950384.db2.gz DXASNVDXJUQGIA-GFCCVEGCSA-N 1 3 251.374 0.825 10 0 CCAEHO CN1CCN([C@@H]2CCC[C@@H]2N2CC[NH2+]CC2)CC1 ZINC000409438005 358112974 /nfs/dbraw/zinc/11/29/74/358112974.db2.gz BRBJHMCMJMZUBK-UONOGXRCSA-N 1 3 252.406 0.060 10 0 CCAEHO CCOC(=O)c1cccc([C@@H]2CN(CC[NH3+])CCN2)c1 ZINC000616634239 365394268 /nfs/dbraw/zinc/39/42/68/365394268.db2.gz ODKKLSQPXDMMAY-AWEZNQCLSA-N 1 3 277.368 0.768 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000333897362 389448668 /nfs/dbraw/zinc/44/86/68/389448668.db2.gz AZSFOBNXGIVBMB-QJPTWQEYSA-N 1 3 254.378 0.520 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334916528 389508864 /nfs/dbraw/zinc/50/88/64/389508864.db2.gz BCTVGDMRTMKCNL-CYBMUJFWSA-N 1 3 280.416 0.866 10 0 CCAEHO C[C@H]([NH2+]CCCN1CCOCC1)[C@H]1CCCNC1 ZINC000643454249 390448209 /nfs/dbraw/zinc/44/82/09/390448209.db2.gz QDCOOOJAOIMIPX-KBPBESRZSA-N 1 3 255.406 0.686 10 0 CCAEHO COC[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CCC[NH2+]1 ZINC000649328097 390586198 /nfs/dbraw/zinc/58/61/98/390586198.db2.gz XJMMOFMIADJPIW-JSGCOSHPSA-N 1 3 267.373 0.062 10 0 CCAEHO CN(CCNC(=O)[C@@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649305899 390565891 /nfs/dbraw/zinc/56/58/91/390565891.db2.gz LGAWLXREPHLEGL-OAHLLOKOSA-N 1 3 291.395 0.471 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CNCCC1(F)F ZINC000649335097 390591522 /nfs/dbraw/zinc/59/15/22/390591522.db2.gz FCAOBZMWKXURKY-WOPDTQHZSA-N 1 3 287.354 0.926 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CNCCC1(F)F ZINC000649335097 390591524 /nfs/dbraw/zinc/59/15/24/390591524.db2.gz FCAOBZMWKXURKY-WOPDTQHZSA-N 1 3 287.354 0.926 10 0 CCAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)COCC[NH3+] ZINC000309731497 411745379 /nfs/dbraw/zinc/74/53/79/411745379.db2.gz PHCMFHGRLDDLRO-ZDUSSCGKSA-N 1 3 279.384 0.598 10 0 CCAEHO CN(C)Cc1ccccc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037000034 172859575 /nfs/dbraw/zinc/85/95/75/172859575.db2.gz HREDKWBTGSGULF-AAEUAGOBSA-N 1 3 263.341 0.410 10 0 CCAEHO C[C@H](O)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662256959 414700649 /nfs/dbraw/zinc/70/06/49/414700649.db2.gz KQUPIWUTWFLUDO-AAEUAGOBSA-N 1 3 254.374 0.600 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662618414 414733191 /nfs/dbraw/zinc/73/31/91/414733191.db2.gz BICUHOSJGFKIIW-GRYCIOLGSA-N 1 3 253.390 0.831 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(N)CCOCC2)C1 ZINC000662855144 414845419 /nfs/dbraw/zinc/84/54/19/414845419.db2.gz VUDTYQOWHZAYGM-NSHDSACASA-N 1 3 269.389 0.483 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(N)CCOCC2)C1 ZINC000662855144 414845422 /nfs/dbraw/zinc/84/54/22/414845422.db2.gz VUDTYQOWHZAYGM-NSHDSACASA-N 1 3 269.389 0.483 10 0 CCAEHO CCOC(=O)[C@H](C)CN(C)CCN1CC[NH2+]CC1 ZINC000071150948 176045248 /nfs/dbraw/zinc/04/52/48/176045248.db2.gz DSNAHRWAILZZCC-GFCCVEGCSA-N 1 3 257.378 0.023 10 0 CCAEHO CCN[C@@](C)(CC[N@H+](C)C[C@@H]1CCN(C)C1)C(N)=O ZINC000071191024 176067321 /nfs/dbraw/zinc/06/73/21/176067321.db2.gz KXWWIVYHAQOSHQ-OCCSQVGLSA-N 1 3 270.421 0.114 10 0 CCAEHO CCN[C@@](C)(CC[N@@H+](C)C[C@@H]1CCN(C)C1)C(N)=O ZINC000071191024 176067323 /nfs/dbraw/zinc/06/73/23/176067323.db2.gz KXWWIVYHAQOSHQ-OCCSQVGLSA-N 1 3 270.421 0.114 10 0 CCAEHO CCC[C@H]([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258032 545880510 /nfs/dbraw/zinc/88/05/10/545880510.db2.gz DGHHSOXXMATSMR-VIFPVBQESA-N 1 3 251.334 0.483 10 0 CCAEHO CC[C@H](C[NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258742 545882065 /nfs/dbraw/zinc/88/20/65/545882065.db2.gz YNAPFDNYIGFFHU-VIFPVBQESA-N 1 3 251.334 0.341 10 0 CCAEHO CN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000054290209 544442345 /nfs/dbraw/zinc/44/23/45/544442345.db2.gz USZPIQIGDIHFMS-LBPRGKRZSA-N 1 3 253.390 0.929 10 0 CCAEHO O=C(NC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCCN1C1CC1 ZINC000333729409 545042377 /nfs/dbraw/zinc/04/23/77/545042377.db2.gz HQDUGFIEVSWYJK-JSGCOSHPSA-N 1 3 280.416 0.912 10 0 CCAEHO CC(C)C[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)[NH+](C)C ZINC000188708235 275586376 /nfs/dbraw/zinc/58/63/76/275586376.db2.gz KEQOOGTXRJZLST-NSHDSACASA-N 1 3 293.415 0.762 10 0 CCAEHO CC[NH+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188854897 279160570 /nfs/dbraw/zinc/16/05/70/279160570.db2.gz UDSOZQQFXQIOTR-SNVBAGLBSA-N 1 3 279.388 0.516 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449697 279334318 /nfs/dbraw/zinc/33/43/18/279334318.db2.gz QRZZMLAQNMBMJH-FRRDWIJNSA-N 1 3 253.390 0.962 10 0 CCAEHO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263226208 295140739 /nfs/dbraw/zinc/14/07/39/295140739.db2.gz MUNULNXVCMJPIO-UBHSHLNASA-N 1 3 294.395 0.805 10 0 CCAEHO O=C(C1C[NH2+]C1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000367810648 295454825 /nfs/dbraw/zinc/45/48/25/295454825.db2.gz RHKMZBZQJKVTBG-CYBMUJFWSA-N 1 3 251.374 0.683 10 0 CCAEHO CCN(CCC[NH2+][C@@H](C)[C@H]1CCCNC1)S(C)(=O)=O ZINC000580768420 335964158 /nfs/dbraw/zinc/96/41/58/335964158.db2.gz CGBPRTHBFZWPDI-STQMWFEESA-N 1 3 291.461 0.636 10 0 CCAEHO CCC[NH2+][C@@H](CN1CCN([C@@H](C)CC)CC1)C(N)=O ZINC000055070536 520008018 /nfs/dbraw/zinc/00/80/18/520008018.db2.gz CPXZPZUFZJFRBR-STQMWFEESA-N 1 3 270.421 0.256 10 0 CCAEHO CCCN1CCC(NS(=O)(=O)CCCC[NH3+])CC1 ZINC000049558130 519846677 /nfs/dbraw/zinc/84/66/77/519846677.db2.gz KYVPCYPAQYKAMF-UHFFFAOYSA-N 1 3 277.434 0.519 10 0 CCAEHO CN(C)C[C@@H]1CCC[N@@H+]1CC[C@H](NC1CC1)C(N)=O ZINC000062532578 521838559 /nfs/dbraw/zinc/83/85/59/521838559.db2.gz BCNSYCUYZKPVQM-STQMWFEESA-N 1 3 268.405 0.008 10 0 CCAEHO CN(C)C[C@@H]1CCC[N@H+]1CC[C@H](NC1CC1)C(N)=O ZINC000062532578 521838566 /nfs/dbraw/zinc/83/85/66/521838566.db2.gz BCNSYCUYZKPVQM-STQMWFEESA-N 1 3 268.405 0.008 10 0 CCAEHO CN(CCC[NH3+])C(=O)CN1CCC[C@H]1CCCO ZINC000052758042 522740434 /nfs/dbraw/zinc/74/04/34/522740434.db2.gz ZPERFOJVRSLKGY-LBPRGKRZSA-N 1 3 257.378 0.031 10 0 CCAEHO C[C@@H]1CCCN(CC(=O)N2CCC[NH2+]CC2)[C@@H]1C ZINC000050564942 524217256 /nfs/dbraw/zinc/21/72/56/524217256.db2.gz KTOFJMZILQRVED-CHWSQXEVSA-N 1 3 253.390 0.929 10 0 CCAEHO C[C@H](CN1CCCC1)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051120151 524316717 /nfs/dbraw/zinc/31/67/17/524316717.db2.gz ZDQSQRZWZXFIGF-SNVBAGLBSA-N 1 3 263.345 0.581 10 0 CCAEHO C[C@@H]1C[C@H](C(=O)NC2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000055126697 525360523 /nfs/dbraw/zinc/36/05/23/525360523.db2.gz MVOGNSCHTNOFNL-WZRBSPASSA-N 1 3 253.390 0.960 10 0 CCAEHO C[NH+]1C[C@@H]2CN(c3cc4c(nn3)CCNC4)C[C@H]2C1 ZINC000675061047 545320970 /nfs/dbraw/zinc/32/09/70/545320970.db2.gz WYIISMMUPZQSAT-VXGBXAGGSA-N 1 3 259.357 0.120 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000252571733 638401396 /nfs/dbraw/zinc/40/13/96/638401396.db2.gz BTAFGYIULPTMRS-OLZOCXBDSA-N 1 3 289.445 0.484 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000092634016 649725513 /nfs/dbraw/zinc/72/55/13/649725513.db2.gz BTAFGYIULPTMRS-CHWSQXEVSA-N 1 3 289.445 0.484 10 0 CCAEHO COCC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251582292 649812548 /nfs/dbraw/zinc/81/25/48/649812548.db2.gz CKSYNRSNVGOOPF-UTUOFQBUSA-N 1 3 255.362 0.045 10 0 CCAEHO COCC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251582292 649812552 /nfs/dbraw/zinc/81/25/52/649812552.db2.gz CKSYNRSNVGOOPF-UTUOFQBUSA-N 1 3 255.362 0.045 10 0 CCAEHO CCN(CC)CC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000119725221 349949581 /nfs/dbraw/zinc/94/95/81/349949581.db2.gz KQCKDLLETVWQQW-LSDHHAIUSA-N 1 3 269.433 0.981 10 0 CCAEHO CCN(CC)CC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000119725221 349949583 /nfs/dbraw/zinc/94/95/83/349949583.db2.gz KQCKDLLETVWQQW-LSDHHAIUSA-N 1 3 269.433 0.981 10 0 CCAEHO C[C@H](Cc1nc([C@@H]2CNCCN2C)no1)[C@@H]1CCC[NH2+]C1 ZINC000263217856 137060626 /nfs/dbraw/zinc/06/06/26/137060626.db2.gz LFHMNXWMWUSUAQ-UPJWGTAASA-N 1 3 293.415 0.824 10 0 CCAEHO C[NH+](C)CC1CCN(C(=O)C(C)(C)N2CCNCC2)CC1 ZINC000129667453 350219485 /nfs/dbraw/zinc/21/94/85/350219485.db2.gz DQZPXUHFYNDZJG-UHFFFAOYSA-N 1 3 296.459 0.470 10 0 CCAEHO CN1CCN(CCCNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136209623 350418941 /nfs/dbraw/zinc/41/89/41/350418941.db2.gz XHNILSXKWNWITN-OAHLLOKOSA-N 1 3 282.432 0.272 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CCN1C ZINC000157820252 350649817 /nfs/dbraw/zinc/64/98/17/350649817.db2.gz VZPWOWWVKDABGC-FRRDWIJNSA-N 1 3 253.390 0.975 10 0 CCAEHO C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)N1CCC(C)CC1 ZINC000333833548 354802635 /nfs/dbraw/zinc/80/26/35/354802635.db2.gz TYAMIIBXJSJDAZ-IHRRRGAJSA-N 1 3 298.431 0.081 10 0 CCAEHO C[C@@H]1CN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000631840696 370705702 /nfs/dbraw/zinc/70/57/02/370705702.db2.gz UPODXOMZQFLQTO-AGIUHOORSA-N 1 3 289.445 0.185 10 0 CCAEHO [NH3+][C@@H]1CC[C@H]2CN(CCOC3CCOCC3)C[C@H]12 ZINC000629519757 369689324 /nfs/dbraw/zinc/68/93/24/369689324.db2.gz QXNMMACWLAJNHU-FPMFFAJLSA-N 1 3 254.374 0.851 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000040633534 388854559 /nfs/dbraw/zinc/85/45/59/388854559.db2.gz XPTMTHTVMMGZAB-CHWSQXEVSA-N 1 3 267.373 0.106 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000310909003 389100152 /nfs/dbraw/zinc/10/01/52/389100152.db2.gz DQJPBHDBANPTAY-OLZOCXBDSA-N 1 3 253.390 0.912 10 0 CCAEHO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000227794868 389151580 /nfs/dbraw/zinc/15/15/80/389151580.db2.gz WLGFTSIKFKFHSX-YNEHKIRRSA-N 1 3 251.374 0.811 10 0 CCAEHO Cc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)N(C)C)cc1 ZINC000263347155 389299280 /nfs/dbraw/zinc/29/92/80/389299280.db2.gz ZIXPIIQGYIJHSJ-CQSZACIVSA-N 1 3 261.369 0.933 10 0 CCAEHO O[C@@]1(CN[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000422980755 389516461 /nfs/dbraw/zinc/51/64/61/389516461.db2.gz QXLUGGHCXWXGBX-HZPDHXFCSA-N 1 3 275.396 0.575 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCC[NH2+]1 ZINC000643781223 390546537 /nfs/dbraw/zinc/54/65/37/390546537.db2.gz MZPBXFIXMXTLRF-VNHYZAJKSA-N 1 3 281.400 0.450 10 0 CCAEHO COC[C@]1(C(=O)N[C@H](CC(C)C)CN(C)C)CCC[NH2+]1 ZINC000649298868 390558982 /nfs/dbraw/zinc/55/89/82/390558982.db2.gz DGLKIIZQBVAUGJ-HIFRSBDPSA-N 1 3 285.432 0.848 10 0 CCAEHO CN1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000310775359 411747970 /nfs/dbraw/zinc/74/79/70/411747970.db2.gz ALNFWCZRYUHPKB-QWHCGFSZSA-N 1 3 253.390 0.977 10 0 CCAEHO CC[C@@H]1CCN(C(=O)C2CCN(C)CC2)C[C@H]1[NH3+] ZINC000616570136 411840729 /nfs/dbraw/zinc/84/07/29/411840729.db2.gz MAPPONXIJLKBCH-DGCLKSJQSA-N 1 3 253.390 0.914 10 0 CCAEHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653112678 412224769 /nfs/dbraw/zinc/22/47/69/412224769.db2.gz GSIQBYBIWIYHOK-FBIMIBRVSA-N 1 3 291.317 0.737 10 0 CCAEHO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CCN(C)CC1 ZINC000653130520 412235116 /nfs/dbraw/zinc/23/51/16/412235116.db2.gz QFRQHXTYECBXEO-GHMZBOCLSA-N 1 3 293.333 0.937 10 0 CCAEHO C[C@@H](NCCN1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210157 173031865 /nfs/dbraw/zinc/03/18/65/173031865.db2.gz GJJFPUJLVVWQEG-ZIAGYGMSSA-N 1 3 255.406 0.639 10 0 CCAEHO C[C@@H](NCCN1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210157 173031868 /nfs/dbraw/zinc/03/18/68/173031868.db2.gz GJJFPUJLVVWQEG-ZIAGYGMSSA-N 1 3 255.406 0.639 10 0 CCAEHO CC[NH2+]C(C)(C)C(=O)Nc1ccnn1C1CNC1 ZINC000725258175 545879620 /nfs/dbraw/zinc/87/96/20/545879620.db2.gz JLEMDZHMQKECRR-UHFFFAOYSA-N 1 3 251.334 0.354 10 0 CCAEHO CCCC[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258041 545880002 /nfs/dbraw/zinc/88/00/02/545880002.db2.gz DJZGVGAZSCJHSP-SNVBAGLBSA-N 1 3 251.334 0.483 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCN1CCCCC1 ZINC000089460659 544514234 /nfs/dbraw/zinc/51/42/34/544514234.db2.gz FOAKHTCPBLIAJB-STQMWFEESA-N 1 3 253.390 0.964 10 0 CCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)COC1(C)CNC1 ZINC000098061672 544554686 /nfs/dbraw/zinc/55/46/86/544554686.db2.gz LWENFALHLMCVSO-GFCCVEGCSA-N 1 3 271.405 0.457 10 0 CCAEHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161020278 544704414 /nfs/dbraw/zinc/70/44/14/544704414.db2.gz LJIDHPYUZIYNRB-OLZOCXBDSA-N 1 3 253.390 0.977 10 0 CCAEHO CCN(CC)CC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000119725398 279104337 /nfs/dbraw/zinc/10/43/37/279104337.db2.gz KQCKDLLETVWQQW-HUUCEWRRSA-N 1 3 269.433 0.981 10 0 CCAEHO CCN(CC)CC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000119725398 279104338 /nfs/dbraw/zinc/10/43/38/279104338.db2.gz KQCKDLLETVWQQW-HUUCEWRRSA-N 1 3 269.433 0.981 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699982 288130898 /nfs/dbraw/zinc/13/08/98/288130898.db2.gz FKOQLQPBKQNJTR-HBJVGIJOSA-N 1 3 265.401 0.960 10 0 CCAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000175979467 280322727 /nfs/dbraw/zinc/32/27/27/280322727.db2.gz SGGIQISNAMMYAP-GJZGRUSLSA-N 1 3 297.443 0.942 10 0 CCAEHO CN1CCC(O)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000344120340 289888906 /nfs/dbraw/zinc/88/89/06/289888906.db2.gz ZLEMBLPWFCSYTI-XQQFMLRXSA-N 1 3 268.401 0.846 10 0 CCAEHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)N(C)C ZINC000262363600 298765659 /nfs/dbraw/zinc/76/56/59/298765659.db2.gz KTEVQYRGJZNHCK-MBNYWOFBSA-N 1 3 253.390 0.833 10 0 CCAEHO C[C@H]1CNCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333788426 300321223 /nfs/dbraw/zinc/32/12/23/300321223.db2.gz MCWAFAKUAHQLGP-ZDUSSCGKSA-N 1 3 297.447 0.016 10 0 CCAEHO C[C@H]1CNCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333788426 300321226 /nfs/dbraw/zinc/32/12/26/300321226.db2.gz MCWAFAKUAHQLGP-ZDUSSCGKSA-N 1 3 297.447 0.016 10 0 CCAEHO CC(C)(C)N1CCN(C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052571652 518711626 /nfs/dbraw/zinc/71/16/26/518711626.db2.gz CLBOVGJAZSRQGN-QWHCGFSZSA-N 1 3 255.406 0.909 10 0 CCAEHO CC[C@@H]([NH2+]C)[C@@H](C)N1CCN(CCN(C)C)CC1 ZINC000061643854 522806876 /nfs/dbraw/zinc/80/68/76/522806876.db2.gz VYSDONYXKMJSNO-ZIAGYGMSSA-N 1 3 256.438 0.552 10 0 CCAEHO CO[C@@H]1C[NH2+][C@H](C(=O)N[C@@H](CN(C)C)C(C)C)C1 ZINC000049220427 523742522 /nfs/dbraw/zinc/74/25/22/523742522.db2.gz AHHNIUSFRAYLCQ-SRVKXCTJSA-N 1 3 257.378 0.066 10 0 CCAEHO CN1CCC[C@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051114252 523841190 /nfs/dbraw/zinc/84/11/90/523841190.db2.gz VSDJILRYDZJSJX-SNVBAGLBSA-N 1 3 263.345 0.439 10 0 CCAEHO C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631552 524477040 /nfs/dbraw/zinc/47/70/40/524477040.db2.gz UEVTVUUEKRNSQH-RYUDHWBXSA-N 1 3 277.434 0.388 10 0 CCAEHO C[C@@H](CN1CCN(CC[NH+](C)C)CC1)C(N)=S ZINC000061644358 524619745 /nfs/dbraw/zinc/61/97/45/524619745.db2.gz UUPSFPPRZHJPFG-NSHDSACASA-N 1 3 258.435 0.088 10 0 CCAEHO O=C(CCC1CC[NH2+]CC1)N[C@H]1CN2CCC1CC2 ZINC000050940079 526412041 /nfs/dbraw/zinc/41/20/41/526412041.db2.gz IHOGRJYKWQJRNQ-AWEZNQCLSA-N 1 3 265.401 0.977 10 0 CCAEHO CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)N(C)C ZINC000152087842 290663543 /nfs/dbraw/zinc/66/35/43/290663543.db2.gz ULZDXQRPVDZQSH-HIFRSBDPSA-N 1 3 299.459 0.878 10 0 CCAEHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000263320033 137063717 /nfs/dbraw/zinc/06/37/17/137063717.db2.gz RDHRRDJWHLEGKL-OAHLLOKOSA-N 1 3 273.380 0.987 10 0 CCAEHO COCCN(C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000061380676 348652656 /nfs/dbraw/zinc/65/26/56/348652656.db2.gz BQWYDOWLGWDMEN-LBPRGKRZSA-N 1 3 257.378 0.071 10 0 CCAEHO COCCN(C)CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171906786 350942141 /nfs/dbraw/zinc/94/21/41/350942141.db2.gz ICJGBDQFUFNZQJ-CYBMUJFWSA-N 1 3 284.404 0.054 10 0 CCAEHO COCCN(C)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171906786 350942142 /nfs/dbraw/zinc/94/21/42/350942142.db2.gz ICJGBDQFUFNZQJ-CYBMUJFWSA-N 1 3 284.404 0.054 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000227150660 352039469 /nfs/dbraw/zinc/03/94/69/352039469.db2.gz FXERJLOOGPYNOA-RBSFLKMASA-N 1 3 291.395 0.782 10 0 CCAEHO COCCCN(C)CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247211321 352404132 /nfs/dbraw/zinc/40/41/32/352404132.db2.gz VFKQOPSHYFXAOT-AWEZNQCLSA-N 1 3 298.431 0.444 10 0 CCAEHO COCCCN(C)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247211321 352404134 /nfs/dbraw/zinc/40/41/34/352404134.db2.gz VFKQOPSHYFXAOT-AWEZNQCLSA-N 1 3 298.431 0.444 10 0 CCAEHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824578 354800523 /nfs/dbraw/zinc/80/05/23/354800523.db2.gz RPTYFSZDWUPMKN-XUXIUFHCSA-N 1 3 298.431 0.081 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)[C@H]2C1 ZINC000333817393 283067758 /nfs/dbraw/zinc/06/77/58/283067758.db2.gz KIFBYMJMGVFQRF-AGIUHOORSA-N 1 3 266.389 0.459 10 0 CCAEHO CCOC(=O)c1ccccc1[C@@H]1CNCCN1CC[NH3+] ZINC000616635951 365394746 /nfs/dbraw/zinc/39/47/46/365394746.db2.gz OAAYENPSPQUOEG-AWEZNQCLSA-N 1 3 277.368 0.768 10 0 CCAEHO CN1CCC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634762852 372210478 /nfs/dbraw/zinc/21/04/78/372210478.db2.gz IIRDCASUQZCLPC-FZMZJTMJSA-N 1 3 251.374 0.587 10 0 CCAEHO O=C(N[C@H]1CCN(C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766860 372213706 /nfs/dbraw/zinc/21/37/06/372213706.db2.gz YNAHUXVDGQXBEE-HUBLWGQQSA-N 1 3 263.385 0.729 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333366378 205258121 /nfs/dbraw/zinc/25/81/21/205258121.db2.gz LVCYTKOLOGNHCW-MDZLAQPJSA-N 1 3 266.389 0.378 10 0 CCAEHO CN(CCNC(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000333405021 205292426 /nfs/dbraw/zinc/29/24/26/205292426.db2.gz QMFJNRONZPJUOS-NSHDSACASA-N 1 3 254.378 0.522 10 0 CCAEHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333448659 205328616 /nfs/dbraw/zinc/32/86/16/205328616.db2.gz XEPZLRFOMHCFCD-OLZOCXBDSA-N 1 3 284.404 0.148 10 0 CCAEHO CC1(C)CN(C(=O)C[C@H]2CSCCN2)CC[C@H]1[NH3+] ZINC000334262123 206274514 /nfs/dbraw/zinc/27/45/14/206274514.db2.gz YYSLPDUAHZIWCP-WDEREUQCSA-N 1 3 271.430 0.667 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CN1C1CC1 ZINC000246401730 285018463 /nfs/dbraw/zinc/01/84/63/285018463.db2.gz UBQKFNTYNHJVAD-MBNYWOFBSA-N 1 3 280.416 0.957 10 0 CCAEHO CCN1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335593893 285191122 /nfs/dbraw/zinc/19/11/22/285191122.db2.gz OKMCTRVDBSRPLJ-AAEUAGOBSA-N 1 3 253.390 0.975 10 0 CCAEHO O=C(C[C@H]1CSCCN1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186517633 388838449 /nfs/dbraw/zinc/83/84/49/388838449.db2.gz RQFJIFMMEUVQKJ-RYUDHWBXSA-N 1 3 283.441 0.825 10 0 CCAEHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1C[C@H](F)CN1 ZINC000188981257 388946658 /nfs/dbraw/zinc/94/66/58/388946658.db2.gz BQECVBBUAPDTPJ-RWMBFGLXSA-N 1 3 287.379 0.040 10 0 CCAEHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1C[C@H](F)CN1 ZINC000188981257 388946661 /nfs/dbraw/zinc/94/66/61/388946661.db2.gz BQECVBBUAPDTPJ-RWMBFGLXSA-N 1 3 287.379 0.040 10 0 CCAEHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100245750 389071112 /nfs/dbraw/zinc/07/11/12/389071112.db2.gz YCWLULSIZCNEPM-MBNYWOFBSA-N 1 3 253.390 0.947 10 0 CCAEHO C[C@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334921718 389508639 /nfs/dbraw/zinc/50/86/39/389508639.db2.gz OMFKNNOVJMKYEC-WDEREUQCSA-N 1 3 252.362 0.226 10 0 CCAEHO C[C@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000334921718 389508641 /nfs/dbraw/zinc/50/86/41/389508641.db2.gz OMFKNNOVJMKYEC-WDEREUQCSA-N 1 3 252.362 0.226 10 0 CCAEHO Cc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)c2ccccc2n1 ZINC000420244502 389972249 /nfs/dbraw/zinc/97/22/49/389972249.db2.gz DMYYELXLBQZFJN-ABAIWWIYSA-N 1 3 257.337 0.957 10 0 CCAEHO CCCN(CCN(C)C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649375171 390610665 /nfs/dbraw/zinc/61/06/65/390610665.db2.gz YWRBQMHGKSYNJY-GFCCVEGCSA-N 1 3 257.378 0.023 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258328306 397440496 /nfs/dbraw/zinc/44/04/96/397440496.db2.gz DNCCWCYHWFRURD-NEPJUHHUSA-N 1 3 254.378 0.522 10 0 CCAEHO CC(C)[C@@H](CNC(=O)C[C@H](C)[NH3+])N1CCN(C)CC1 ZINC000040770608 397394036 /nfs/dbraw/zinc/39/40/36/397394036.db2.gz PUCVAIRRYUEMLE-QWHCGFSZSA-N 1 3 270.421 0.112 10 0 CCAEHO C[NH2+]CC(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000370718065 144313616 /nfs/dbraw/zinc/31/36/16/144313616.db2.gz ZSHNHBJHGVJKFE-NHAGDIPZSA-N 1 3 259.353 0.452 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653150266 412244043 /nfs/dbraw/zinc/24/40/43/412244043.db2.gz WWGUVXJMTVDXQA-IVZWLZJFSA-N 1 3 279.306 0.547 10 0 CCAEHO C[NH+](C)CCCNC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000040458539 174268737 /nfs/dbraw/zinc/26/87/37/174268737.db2.gz ZRSPILGIMVGGIJ-ZDUSSCGKSA-N 1 3 265.357 0.330 10 0 CCAEHO CCOC(=O)[C@@](C)(N)CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191011 176067906 /nfs/dbraw/zinc/06/79/06/176067906.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 1 3 271.405 0.541 10 0 CCAEHO CCOC(=O)[C@@](C)(N)CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191011 176067908 /nfs/dbraw/zinc/06/79/08/176067908.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 1 3 271.405 0.541 10 0 CCAEHO CCOC(=O)[C@@](C)(N)CC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191011 176067909 /nfs/dbraw/zinc/06/79/09/176067909.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 1 3 271.405 0.541 10 0 CCAEHO CCOC(=O)[C@@](C)(N)CC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191011 176067910 /nfs/dbraw/zinc/06/79/10/176067910.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 1 3 271.405 0.541 10 0 CCAEHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258500 545881631 /nfs/dbraw/zinc/88/16/31/545881631.db2.gz QQAOVYWGMHZDPX-KCJUWKMLSA-N 1 3 251.334 0.339 10 0 CCAEHO CC(C)(N)c1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271859 545888427 /nfs/dbraw/zinc/88/84/27/545888427.db2.gz DMDXIOCREPUBQT-LLVKDONJSA-N 1 3 279.388 0.946 10 0 CCAEHO CN1CCCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000335705796 289325369 /nfs/dbraw/zinc/32/53/69/289325369.db2.gz OCJXPPUFSBOAQO-QWHCGFSZSA-N 1 3 268.405 0.816 10 0 CCAEHO CCO[C@@H](C[NH3+])CCN1CCCC[C@@H]1C(=O)NC ZINC000062741107 520307790 /nfs/dbraw/zinc/30/77/90/520307790.db2.gz GCNBDYQLJYBWGT-VXGBXAGGSA-N 1 3 257.378 0.341 10 0 CCAEHO CC[NH2+][C@](C)(CN1CCN(CC(C)C)CC1)C(N)=O ZINC000055081383 520231675 /nfs/dbraw/zinc/23/16/75/520231675.db2.gz LTJTZHRGGZQXJE-CQSZACIVSA-N 1 3 270.421 0.114 10 0 CCAEHO [NH3+]CCCN1CCCN(CCn2cccn2)CC1 ZINC000049313887 527180064 /nfs/dbraw/zinc/18/00/64/527180064.db2.gz LUNPUROZYJASBD-UHFFFAOYSA-N 1 3 251.378 0.240 10 0 CCAEHO Cn1ncc(Cl)c1CNCC1CC[NH+](CCO)CC1 ZINC000189165259 527571157 /nfs/dbraw/zinc/57/11/57/527571157.db2.gz RGXGQGIBMBQCNL-UHFFFAOYSA-N 1 3 286.807 0.867 10 0 CCAEHO CN(Cc1c(CN)cnn1C)C1CC[NH+](C)CC1 ZINC000675056769 545320625 /nfs/dbraw/zinc/32/06/25/545320625.db2.gz WSVGWMYPZBVMQL-UHFFFAOYSA-N 1 3 251.378 0.405 10 0 CCAEHO COc1ccc(C[C@H](C)NC[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263226204 536526428 /nfs/dbraw/zinc/52/64/28/536526428.db2.gz MUNULNXVCMJPIO-FPMFFAJLSA-N 1 3 294.395 0.805 10 0 CCAEHO CN[C@H](C)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000054075558 348541143 /nfs/dbraw/zinc/54/11/43/348541143.db2.gz DHCCNFMSFQIOIF-GFCCVEGCSA-N 1 3 253.390 0.929 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290345 348548102 /nfs/dbraw/zinc/54/81/02/348548102.db2.gz VGLGBLYDXFNCBR-QWHCGFSZSA-N 1 3 253.390 0.977 10 0 CCAEHO CN1CCN([C@H](CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000062268815 348666721 /nfs/dbraw/zinc/66/67/21/348666721.db2.gz RAAFFHQOZBQNGD-QGZVFWFLSA-N 1 3 288.439 0.880 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000062972144 348673365 /nfs/dbraw/zinc/67/33/65/348673365.db2.gz XIXUCJCUTCEKKV-STQMWFEESA-N 1 3 253.390 0.929 10 0 CCAEHO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129636251 350218345 /nfs/dbraw/zinc/21/83/45/350218345.db2.gz DKFDQGRXLKBRTK-CYBMUJFWSA-N 1 3 282.432 0.128 10 0 CCAEHO CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129636251 350218351 /nfs/dbraw/zinc/21/83/51/350218351.db2.gz DKFDQGRXLKBRTK-CYBMUJFWSA-N 1 3 282.432 0.128 10 0 CCAEHO CC1CCN(CCNC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129690510 350220609 /nfs/dbraw/zinc/22/06/09/350220609.db2.gz OBHBXJGLHLSBOD-UHFFFAOYSA-N 1 3 296.459 0.518 10 0 CCAEHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129688890 350220623 /nfs/dbraw/zinc/22/06/23/350220623.db2.gz UBLJCOCOLYKLPI-AWEZNQCLSA-N 1 3 296.459 0.517 10 0 CCAEHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129688890 350220624 /nfs/dbraw/zinc/22/06/24/350220624.db2.gz UBLJCOCOLYKLPI-AWEZNQCLSA-N 1 3 296.459 0.517 10 0 CCAEHO C[C@H](CNC(=O)C(C)(C)N1CCNCC1)C[NH+]1CCCC1 ZINC000129738088 350221248 /nfs/dbraw/zinc/22/12/48/350221248.db2.gz HMOAKVOARMJWCU-CQSZACIVSA-N 1 3 296.459 0.518 10 0 CCAEHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000158098501 350653331 /nfs/dbraw/zinc/65/33/31/350653331.db2.gz JHPDTOHOHHEOAR-QNWHQSFQSA-N 1 3 253.390 0.973 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)CCN1C ZINC000252199307 352513454 /nfs/dbraw/zinc/51/34/54/352513454.db2.gz VZPWOWWVKDABGC-JHJVBQTASA-N 1 3 253.390 0.975 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000333625399 283066359 /nfs/dbraw/zinc/06/63/59/283066359.db2.gz FTLNDEMBGBRDRH-NEPJUHHUSA-N 1 3 266.389 0.603 10 0 CCAEHO O=C(NC1C[NH2+]C1)N1CC[C@H](N2CCCCC2)C1 ZINC000335403581 354995688 /nfs/dbraw/zinc/99/56/88/354995688.db2.gz JOVKUVABZUGSQF-LBPRGKRZSA-N 1 3 252.362 0.228 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771618 372222136 /nfs/dbraw/zinc/22/21/36/372222136.db2.gz BHOQUHWRVQSPDM-GUTXKFCHSA-N 1 3 265.401 0.977 10 0 CCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638072719 374624394 /nfs/dbraw/zinc/62/43/94/374624394.db2.gz VCRRRUCOPATOFG-DZGCQCFKSA-N 1 3 285.432 0.834 10 0 CCAEHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCCN(C2CC2)CC1 ZINC000178747044 295306250 /nfs/dbraw/zinc/30/62/50/295306250.db2.gz ORNJNBGKNSDISV-QWHCGFSZSA-N 1 3 251.374 0.811 10 0 CCAEHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCNC[C@@H]2C)C1 ZINC000335285718 208104567 /nfs/dbraw/zinc/10/45/67/208104567.db2.gz RTXIUCTZSKTIBZ-RYUDHWBXSA-N 1 3 254.378 0.474 10 0 CCAEHO CC[N@H+]1CCC[C@H](NC(=O)N2CCNC[C@@H]2C)C1 ZINC000335285718 208104571 /nfs/dbraw/zinc/10/45/71/208104571.db2.gz RTXIUCTZSKTIBZ-RYUDHWBXSA-N 1 3 254.378 0.474 10 0 CCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392933689 285206650 /nfs/dbraw/zinc/20/66/50/285206650.db2.gz LNEZQJBPLXMMSM-RVMXOQNASA-N 1 3 251.374 0.870 10 0 CCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392933689 285206652 /nfs/dbraw/zinc/20/66/52/285206652.db2.gz LNEZQJBPLXMMSM-RVMXOQNASA-N 1 3 251.374 0.870 10 0 CCAEHO COC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151350184 285237972 /nfs/dbraw/zinc/23/79/72/285237972.db2.gz HFTHFAARUYHEQW-UONOGXRCSA-N 1 3 256.390 0.848 10 0 CCAEHO CC(C)N1CCC[C@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1=O ZINC000193638736 389075293 /nfs/dbraw/zinc/07/52/93/389075293.db2.gz NLLDICXHHHDAMP-MJBXVCDLSA-N 1 3 265.401 0.879 10 0 CCAEHO CC(C)N1CCC[C@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1=O ZINC000193638736 389075296 /nfs/dbraw/zinc/07/52/96/389075296.db2.gz NLLDICXHHHDAMP-MJBXVCDLSA-N 1 3 265.401 0.879 10 0 CCAEHO COC[C@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649328098 390585829 /nfs/dbraw/zinc/58/58/29/390585829.db2.gz XJMMOFMIADJPIW-OCCSQVGLSA-N 1 3 267.373 0.062 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649328385 390586566 /nfs/dbraw/zinc/58/65/66/390586566.db2.gz UYPIRBNIXNSZGH-UKRRQHHQSA-N 1 3 283.416 0.698 10 0 CCAEHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643775492 390541182 /nfs/dbraw/zinc/54/11/82/390541182.db2.gz WSZKIMPAOAUMJI-OLZOCXBDSA-N 1 3 269.389 0.165 10 0 CCAEHO COCCC1(C(=O)N2CC[C@H](N(C)C)C2)CC[NH2+]CC1 ZINC000643777633 390542605 /nfs/dbraw/zinc/54/26/05/390542605.db2.gz PLKBGUFCQWEPDS-ZDUSSCGKSA-N 1 3 283.416 0.555 10 0 CCAEHO COC[C@@]1(C(=O)N[C@@H](CC(C)C)CN(C)C)CCC[NH2+]1 ZINC000649298867 390558704 /nfs/dbraw/zinc/55/87/04/390558704.db2.gz DGLKIIZQBVAUGJ-DZGCQCFKSA-N 1 3 285.432 0.848 10 0 CCAEHO CSCC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189572 176065802 /nfs/dbraw/zinc/06/58/02/176065802.db2.gz GEDDFIIMIUYNJU-MNOVXSKESA-N 1 3 259.419 0.477 10 0 CCAEHO CSCC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189572 176065803 /nfs/dbraw/zinc/06/58/03/176065803.db2.gz GEDDFIIMIUYNJU-MNOVXSKESA-N 1 3 259.419 0.477 10 0 CCAEHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[NH2+][C@H]2C)N(C)C1 ZINC000333881906 545044045 /nfs/dbraw/zinc/04/40/45/545044045.db2.gz WIFNJDWYQJEZPB-XUXIUFHCSA-N 1 3 298.431 0.487 10 0 CCAEHO NC(C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000334844313 545047272 /nfs/dbraw/zinc/04/72/72/545047272.db2.gz JLLVQVPFBPHHHM-WPRPVWTQSA-N 1 3 265.279 0.478 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647037 276379179 /nfs/dbraw/zinc/37/91/79/276379179.db2.gz LNVMZGRQPJWPQS-FRRDWIJNSA-N 1 3 253.390 0.975 10 0 CCAEHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333481137 289037712 /nfs/dbraw/zinc/03/77/12/289037712.db2.gz CCLKWYZRJASBFW-MGPQQGTHSA-N 1 3 298.431 0.225 10 0 CCAEHO C[C@H]1CCN(C(=O)C2CCN(C)CC2)[C@H](C[NH3+])C1 ZINC000261924293 299921537 /nfs/dbraw/zinc/92/15/37/299921537.db2.gz ZFHBMOHRXZHYKW-AAEUAGOBSA-N 1 3 253.390 0.914 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000389644755 545086851 /nfs/dbraw/zinc/08/68/51/545086851.db2.gz MDNFLYHRSNXGGB-AGIUHOORSA-N 1 3 253.390 0.975 10 0 CCAEHO CCNCCS(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000049640714 519925279 /nfs/dbraw/zinc/92/52/79/519925279.db2.gz IFXHOVZQCDUTFS-UHFFFAOYSA-N 1 3 265.423 0.103 10 0 CCAEHO CC[NH2+][C@H](CCN1CCN([C@H](C)CC)CC1)C(N)=O ZINC000062531908 520189289 /nfs/dbraw/zinc/18/92/89/520189289.db2.gz KIRQATCLSJTQAF-CHWSQXEVSA-N 1 3 270.421 0.256 10 0 CCAEHO COCCN(C)CCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000061380875 523584157 /nfs/dbraw/zinc/58/41/57/523584157.db2.gz YISXKELDRFAOIG-AGUYFDCRSA-N 1 3 255.406 0.909 10 0 CCAEHO COCC[N@H+](CCn1cc(CN)nn1)[C@@H](C)C1CC1 ZINC000052545389 523728801 /nfs/dbraw/zinc/72/88/01/523728801.db2.gz JRDQIKUZRKIWMD-NSHDSACASA-N 1 3 267.377 0.484 10 0 CCAEHO COCC[N@@H+](CCn1cc(CN)nn1)[C@@H](C)C1CC1 ZINC000052545389 523728808 /nfs/dbraw/zinc/72/88/08/523728808.db2.gz JRDQIKUZRKIWMD-NSHDSACASA-N 1 3 267.377 0.484 10 0 CCAEHO [NH3+]CCCCN1CCCN(C(=O)NC2CC2)CC1 ZINC000054456938 527176079 /nfs/dbraw/zinc/17/60/79/527176079.db2.gz XHLYUOHCSXFFPO-UHFFFAOYSA-N 1 3 254.378 0.605 10 0 CCAEHO CCN1CCN(CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261910692 535679055 /nfs/dbraw/zinc/67/90/55/535679055.db2.gz TVHUAYCVLRFBIQ-AWEZNQCLSA-N 1 3 296.459 0.600 10 0 CCAEHO COc1ccc([C@H](C)CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263142260 137059235 /nfs/dbraw/zinc/05/92/35/137059235.db2.gz CJWLYTRKNFKZQU-KYOSRNDESA-N 1 3 264.369 0.969 10 0 CCAEHO O[C@H]1C[NH2+]C[C@H]1CNC1CCN(c2ccccc2)CC1 ZINC000263261407 137062149 /nfs/dbraw/zinc/06/21/49/137062149.db2.gz RAUJIFFCUNFCLV-BBRMVZONSA-N 1 3 275.396 0.825 10 0 CCAEHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C1C[NH2+]C1 ZINC000263320029 137063749 /nfs/dbraw/zinc/06/37/49/137063749.db2.gz RDHRRDJWHLEGKL-HNNXBMFYSA-N 1 3 273.380 0.987 10 0 CCAEHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)N2CCNCC2)C1 ZINC000129743163 350222310 /nfs/dbraw/zinc/22/23/10/350222310.db2.gz RBTFSRKWCYYVFG-CQSZACIVSA-N 1 3 296.459 0.613 10 0 CCAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC1CC1 ZINC000245985857 352344091 /nfs/dbraw/zinc/34/40/91/352344091.db2.gz QBZLSMRXVSLAJW-OLZOCXBDSA-N 1 3 251.374 0.824 10 0 CCAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC1CC1 ZINC000245985857 352344092 /nfs/dbraw/zinc/34/40/92/352344092.db2.gz QBZLSMRXVSLAJW-OLZOCXBDSA-N 1 3 251.374 0.824 10 0 CCAEHO CCN1CCC[C@@H]1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336826386 355201581 /nfs/dbraw/zinc/20/15/81/355201581.db2.gz NPIWHFHUGHFEQV-HUUCEWRRSA-N 1 3 285.432 0.096 10 0 CCAEHO CCN1CCC[C@@H]1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336826386 355201584 /nfs/dbraw/zinc/20/15/84/355201584.db2.gz NPIWHFHUGHFEQV-HUUCEWRRSA-N 1 3 285.432 0.096 10 0 CCAEHO C[C@]1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC[NH2+]1 ZINC000136206605 291362797 /nfs/dbraw/zinc/36/27/97/291362797.db2.gz HHABURYOWDPAAR-VNHYZAJKSA-N 1 3 281.400 0.498 10 0 CCAEHO O=C(NCCN1CCCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764036 372211178 /nfs/dbraw/zinc/21/11/78/372211178.db2.gz JXNDIHYXEGYVPW-ZFWWWQNUSA-N 1 3 265.401 0.978 10 0 CCAEHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H]2C[NH3+])CCSC1 ZINC000333432239 205316640 /nfs/dbraw/zinc/31/66/40/205316640.db2.gz UUKMLXNNMOZGGJ-WCQYABFASA-N 1 3 286.445 0.556 10 0 CCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392933686 285206518 /nfs/dbraw/zinc/20/65/18/285206518.db2.gz LNEZQJBPLXMMSM-CYDGBPFRSA-N 1 3 251.374 0.870 10 0 CCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392933686 285206521 /nfs/dbraw/zinc/20/65/21/285206521.db2.gz LNEZQJBPLXMMSM-CYDGBPFRSA-N 1 3 251.374 0.870 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@H]1N1CCCN(Cc2ccccc2)CC1 ZINC000306228826 389090602 /nfs/dbraw/zinc/09/06/02/389090602.db2.gz JFUPQOVKWXATPE-HZPDHXFCSA-N 1 3 275.396 0.527 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000263272183 389299168 /nfs/dbraw/zinc/29/91/68/389299168.db2.gz SIGYDXDJLRNQPJ-VEGXAWMVSA-N 1 3 252.358 0.114 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH3+])CN1C1CC1 ZINC000333298319 389408743 /nfs/dbraw/zinc/40/87/43/389408743.db2.gz IQPGBMIQQUYXOY-MDZLAQPJSA-N 1 3 266.389 0.744 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333450626 389413916 /nfs/dbraw/zinc/41/39/16/389413916.db2.gz XMDIPXUWLKNPHT-DYEKYZERSA-N 1 3 280.416 0.910 10 0 CCAEHO CN(C)CCN(C(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643774184 390540273 /nfs/dbraw/zinc/54/02/73/390540273.db2.gz PEWWQWBWYNTNMA-ZDUSSCGKSA-N 1 3 283.416 0.555 10 0 CCAEHO COCCC1(C(=O)NCCN(C)C2CC2)CC[NH2+]CC1 ZINC000649307786 390567738 /nfs/dbraw/zinc/56/77/38/390567738.db2.gz JICMGUZDTUHIAX-UHFFFAOYSA-N 1 3 283.416 0.603 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CNCCC1(F)F ZINC000649335096 390591593 /nfs/dbraw/zinc/59/15/93/390591593.db2.gz FCAOBZMWKXURKY-UTUOFQBUSA-N 1 3 287.354 0.926 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CNCCC1(F)F ZINC000649335096 390591594 /nfs/dbraw/zinc/59/15/94/390591594.db2.gz FCAOBZMWKXURKY-UTUOFQBUSA-N 1 3 287.354 0.926 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646140803 390616698 /nfs/dbraw/zinc/61/66/98/390616698.db2.gz XPEGNXVYQXUIOA-NWDGAFQWSA-N 1 3 253.390 0.927 10 0 CCAEHO C[C@H](c1ccncc1)N1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000262235046 299664076 /nfs/dbraw/zinc/66/40/76/299664076.db2.gz MXXZAVVFMGYMST-GFCCVEGCSA-N 1 3 288.395 0.943 10 0 CCAEHO O=C(NCCN1CCCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653106569 412220022 /nfs/dbraw/zinc/22/00/22/412220022.db2.gz DDRLBFIDJAMJBC-GHMZBOCLSA-N 1 3 293.333 0.986 10 0 CCAEHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N(C)C ZINC000038089268 174102308 /nfs/dbraw/zinc/10/23/08/174102308.db2.gz OCLYQKMKVGAJDK-CYDGBPFRSA-N 1 3 253.390 0.973 10 0 CCAEHO O=C(CNC1CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101759 174117895 /nfs/dbraw/zinc/11/78/95/174117895.db2.gz DLJMHVGPOOIGHE-UHFFFAOYSA-N 1 3 251.374 0.825 10 0 CCAEHO C[C@@H](O)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662256962 414700466 /nfs/dbraw/zinc/70/04/66/414700466.db2.gz KQUPIWUTWFLUDO-YPMHNXCESA-N 1 3 254.374 0.600 10 0 CCAEHO CCNCc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nn1 ZINC000071191679 176071097 /nfs/dbraw/zinc/07/10/97/176071097.db2.gz XQIJODKJPYTMJE-LBPRGKRZSA-N 1 3 263.389 0.974 10 0 CCAEHO CCNCc1ccc(N(C)C[C@H]2CC[N@@H+](C)C2)nn1 ZINC000071191679 176071099 /nfs/dbraw/zinc/07/10/99/176071099.db2.gz XQIJODKJPYTMJE-LBPRGKRZSA-N 1 3 263.389 0.974 10 0 CCAEHO CN1CCC([N@H+](C)[C@@H]2C[C@H](N)C23CCOCC3)CC1 ZINC000725264491 545885324 /nfs/dbraw/zinc/88/53/24/545885324.db2.gz QRHUIFRFNNWCOC-UONOGXRCSA-N 1 3 267.417 0.909 10 0 CCAEHO CN1CCC([N@@H+](C)[C@@H]2C[C@H](N)C23CCOCC3)CC1 ZINC000725264491 545885334 /nfs/dbraw/zinc/88/53/34/545885334.db2.gz QRHUIFRFNNWCOC-UONOGXRCSA-N 1 3 267.417 0.909 10 0 CCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC[C@H]1C[NH2+]C[C@H]1O ZINC000262080077 544939364 /nfs/dbraw/zinc/93/93/64/544939364.db2.gz DYJVGLNZGKGWCC-MXASKKJJSA-N 1 3 289.423 0.677 10 0 CCAEHO O[C@H]1C[NH2+]C[C@H]1CNC1CCC2(CCOCC2)CC1 ZINC000262188820 544942194 /nfs/dbraw/zinc/94/21/94/544942194.db2.gz YAQCJEWZHDVNJO-JSGCOSHPSA-N 1 3 268.401 0.896 10 0 CCAEHO O[C@H]1CNC[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000262188820 544942199 /nfs/dbraw/zinc/94/21/99/544942199.db2.gz YAQCJEWZHDVNJO-JSGCOSHPSA-N 1 3 268.401 0.896 10 0 CCAEHO CCN1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247570040 279265190 /nfs/dbraw/zinc/26/51/90/279265190.db2.gz WLBONNFTKWHGRQ-UONOGXRCSA-N 1 3 283.416 0.650 10 0 CCAEHO [NH3+]C1CCC(NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000333663124 295211641 /nfs/dbraw/zinc/21/16/41/295211641.db2.gz LXJFHABHHDFYBM-WXRRBKDZSA-N 1 3 266.389 0.746 10 0 CCAEHO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCCN(C2CC2)CC1 ZINC000178747069 295338744 /nfs/dbraw/zinc/33/87/44/295338744.db2.gz ORNJNBGKNSDISV-OLZOCXBDSA-N 1 3 251.374 0.811 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389540347 545087020 /nfs/dbraw/zinc/08/70/20/545087020.db2.gz FQMBZDPBAPSPLH-AGIUHOORSA-N 1 3 253.390 0.962 10 0 CCAEHO CCC[NH2+]C[C@@H](CC)N1CCN(CCN(C)C)CC1 ZINC000061654988 519920890 /nfs/dbraw/zinc/92/08/90/519920890.db2.gz XOOJDMUDCBVUOU-OAHLLOKOSA-N 1 3 270.465 0.944 10 0 CCAEHO C[NH2+]CC1(CN2CCCC[C@@H]2CO)CCOCC1 ZINC000052197453 521969803 /nfs/dbraw/zinc/96/98/03/521969803.db2.gz YOWWXCPQYZJLIO-CYBMUJFWSA-N 1 3 256.390 0.849 10 0 CCAEHO CC[C@@H](C)N1CCN([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055063663 522130925 /nfs/dbraw/zinc/13/09/25/522130925.db2.gz RTBZPJGLMSAFAS-TZMCWYRMSA-N 1 3 265.405 0.836 10 0 CCAEHO C(CN1CCC[NH2+]CC1)N1CCN(CC2CC2)CC1 ZINC000061275342 518389910 /nfs/dbraw/zinc/38/99/10/518389910.db2.gz FZMBVSYWXVUKCL-UHFFFAOYSA-N 1 3 266.433 0.309 10 0 CCAEHO CCCN1CCN(C[C@@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052422005 519858630 /nfs/dbraw/zinc/85/86/30/519858630.db2.gz RBQLVLNPMOHUEG-KGLIPLIRSA-N 1 3 255.406 0.781 10 0 CCAEHO CCC(CC)[C@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643168 521616068 /nfs/dbraw/zinc/61/60/68/521616068.db2.gz VZWRAADWMSTAIS-HNNXBMFYSA-N 1 3 270.465 0.929 10 0 CCAEHO CN(C)CCN1CCN(C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000061643923 521765540 /nfs/dbraw/zinc/76/55/40/521765540.db2.gz IITFVGMDYNXXRJ-ZDUSSCGKSA-N 1 3 256.438 0.539 10 0 CCAEHO Cn1cc([C@H](CN)N2CCC[C@@H]2C[NH+](C)C)cn1 ZINC000061641971 521873183 /nfs/dbraw/zinc/87/31/83/521873183.db2.gz OAQMYMBSIDGLTK-OLZOCXBDSA-N 1 3 251.378 0.446 10 0 CCAEHO COCCN(C)CCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000061401499 523596237 /nfs/dbraw/zinc/59/62/37/523596237.db2.gz NTTOYNIYYRUKFN-STQMWFEESA-N 1 3 271.405 0.446 10 0 CCAEHO C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCN1CCCC1 ZINC000055131671 524203877 /nfs/dbraw/zinc/20/38/77/524203877.db2.gz VLBRYGPBBUEEAP-RWMBFGLXSA-N 1 3 253.390 0.962 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](N)CC1CC1 ZINC000310667887 623438222 /nfs/dbraw/zinc/43/82/22/623438222.db2.gz FKHQXKICPSQGEP-WXHSDQCUSA-N 1 3 251.374 0.809 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](N)CC1CC1 ZINC000310667887 623438226 /nfs/dbraw/zinc/43/82/26/623438226.db2.gz FKHQXKICPSQGEP-WXHSDQCUSA-N 1 3 251.374 0.809 10 0 CCAEHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@H+](C)C1CC1 ZINC000117045945 349880546 /nfs/dbraw/zinc/88/05/46/349880546.db2.gz OGXVSHPBGKNLQB-OCCSQVGLSA-N 1 3 298.431 0.441 10 0 CCAEHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@@H+](C)C1CC1 ZINC000117045945 349880550 /nfs/dbraw/zinc/88/05/50/349880550.db2.gz OGXVSHPBGKNLQB-OCCSQVGLSA-N 1 3 298.431 0.441 10 0 CCAEHO C[C@H](C(=O)NCCN1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000262433346 137043352 /nfs/dbraw/zinc/04/33/52/137043352.db2.gz UCDFRCWOICXEBG-NEPJUHHUSA-N 1 3 253.390 0.833 10 0 CCAEHO COc1ccccc1C[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000263291700 137062982 /nfs/dbraw/zinc/06/29/82/137062982.db2.gz VTHNFFWEUFNTQI-FPMFFAJLSA-N 1 3 264.369 0.796 10 0 CCAEHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN2CCC[C@@H]2C1 ZINC000171901551 350941011 /nfs/dbraw/zinc/94/10/11/350941011.db2.gz FHDWJOWTKBNHJS-DZGCQCFKSA-N 1 3 292.427 0.960 10 0 CCAEHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN2CCC[C@@H]2C1 ZINC000171901551 350941013 /nfs/dbraw/zinc/94/10/13/350941013.db2.gz FHDWJOWTKBNHJS-DZGCQCFKSA-N 1 3 292.427 0.960 10 0 CCAEHO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H](F)CN1 ZINC000188706569 351620134 /nfs/dbraw/zinc/62/01/34/351620134.db2.gz PHTJPSTZEPKWAO-JOYOIKCWSA-N 1 3 255.337 0.429 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000252581761 352519949 /nfs/dbraw/zinc/51/99/49/352519949.db2.gz UAPFUHQJFPFFCB-JHJVBQTASA-N 1 3 269.389 0.306 10 0 CCAEHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333672165 354774234 /nfs/dbraw/zinc/77/42/34/354774234.db2.gz NHDZGXNMGAUABO-TUAOUCFPSA-N 1 3 254.378 0.520 10 0 CCAEHO CCC1([NH+](C)C)CCN(C(=O)[C@H]2CNCCOC2)CC1 ZINC000638979768 375493947 /nfs/dbraw/zinc/49/39/47/375493947.db2.gz HYFOTIPEYUKYME-ZDUSSCGKSA-N 1 3 283.416 0.555 10 0 CCAEHO O=C(C[C@@H]1CSCCN1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186517608 388838186 /nfs/dbraw/zinc/83/81/86/388838186.db2.gz RQFJIFMMEUVQKJ-NWDGAFQWSA-N 1 3 283.441 0.825 10 0 CCAEHO C[NH+](C)CC1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188971457 388946717 /nfs/dbraw/zinc/94/67/17/388946717.db2.gz KQBGJJKLDPVTCH-PYNQCMFNSA-N 1 3 271.380 0.923 10 0 CCAEHO COC[C@@]1(C(=O)N[C@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000649293967 390556261 /nfs/dbraw/zinc/55/62/61/390556261.db2.gz UONIJZLJBHYXKS-UKRRQHHQSA-N 1 3 283.416 0.746 10 0 CCAEHO CCCN(CCN(C)C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649375172 390610710 /nfs/dbraw/zinc/61/07/10/390610710.db2.gz YWRBQMHGKSYNJY-LBPRGKRZSA-N 1 3 257.378 0.023 10 0 CCAEHO CN(C)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000647039670 390763348 /nfs/dbraw/zinc/76/33/48/390763348.db2.gz VUIBLXSZAZEVHT-UONOGXRCSA-N 1 3 277.368 0.058 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCN1C ZINC000653119397 412230327 /nfs/dbraw/zinc/23/03/27/412230327.db2.gz IDHHYKVGKDNVSK-LMLFDSFASA-N 1 3 293.333 0.983 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCN1C ZINC000653119396 412230380 /nfs/dbraw/zinc/23/03/80/412230380.db2.gz IDHHYKVGKDNVSK-GWOFURMSSA-N 1 3 293.333 0.983 10 0 CCAEHO C[C@H](NCCN1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000037210158 173031477 /nfs/dbraw/zinc/03/14/77/173031477.db2.gz GJJFPUJLVVWQEG-KBPBESRZSA-N 1 3 255.406 0.639 10 0 CCAEHO C[C@H](NCCN1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210158 173031480 /nfs/dbraw/zinc/03/14/80/173031480.db2.gz GJJFPUJLVVWQEG-KBPBESRZSA-N 1 3 255.406 0.639 10 0 CCAEHO CN(C)Nc1[nH+]cnc(N(C)C2CCN(C)CC2)c1N ZINC000040760119 174396880 /nfs/dbraw/zinc/39/68/80/174396880.db2.gz OSPOSBDCSYANGQ-UHFFFAOYSA-N 1 3 279.392 0.478 10 0 CCAEHO C[C@@H]1CCN(C(=O)C2CCN(C)CC2)[C@@H](C[NH3+])C1 ZINC000261924294 287519038 /nfs/dbraw/zinc/51/90/38/287519038.db2.gz ZFHBMOHRXZHYKW-DGCLKSJQSA-N 1 3 253.390 0.914 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCNCC1 ZINC000251086023 544925303 /nfs/dbraw/zinc/92/53/03/544925303.db2.gz XOYBFKTTXAPBGL-KBPBESRZSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCNCC1 ZINC000251086023 544925312 /nfs/dbraw/zinc/92/53/12/544925312.db2.gz XOYBFKTTXAPBGL-KBPBESRZSA-N 1 3 294.443 0.413 10 0 CCAEHO CC1(C)CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[C@@H]1[NH3+] ZINC000334920398 281180160 /nfs/dbraw/zinc/18/01/60/281180160.db2.gz DWZVFXVNQVWFCZ-YPMHNXCESA-N 1 3 280.416 0.992 10 0 CCAEHO CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333491967 289198676 /nfs/dbraw/zinc/19/86/76/289198676.db2.gz DKSQWODHHFHBBA-CHWSQXEVSA-N 1 3 284.404 0.101 10 0 CCAEHO CCCN1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000389742355 545087185 /nfs/dbraw/zinc/08/71/85/545087185.db2.gz OFQSVZPEAOSORF-NSHDSACASA-N 1 3 255.362 0.095 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000091667914 518197713 /nfs/dbraw/zinc/19/77/13/518197713.db2.gz VVXYXFDLVXFOGA-REWJHTLYSA-N 1 3 281.400 0.483 10 0 CCAEHO CCN(CCN1CCC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000061275313 521045396 /nfs/dbraw/zinc/04/53/96/521045396.db2.gz FOIWGNORMYRHIB-AWEZNQCLSA-N 1 3 255.406 0.783 10 0 CCAEHO COCC[C@@H](N)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000052809192 521822232 /nfs/dbraw/zinc/82/22/32/521822232.db2.gz MSHLUHQRUYCMSL-PSEXLTFBSA-N 1 3 269.389 0.339 10 0 CCAEHO COCC[C@@H](N)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000052809192 521822242 /nfs/dbraw/zinc/82/22/42/521822242.db2.gz MSHLUHQRUYCMSL-PSEXLTFBSA-N 1 3 269.389 0.339 10 0 CCAEHO CN(C)C[C@@H]1CCC[N@@H+]1[C@]1(CN)CN2CCC1CC2 ZINC000061642999 521843921 /nfs/dbraw/zinc/84/39/21/521843921.db2.gz ZKHPDFQNFYDTAH-LSDHHAIUSA-N 1 3 266.433 0.436 10 0 CCAEHO CN(C)C[C@@H]1CCC[N@H+]1[C@]1(CN)CN2CCC1CC2 ZINC000061642999 521843928 /nfs/dbraw/zinc/84/39/28/521843928.db2.gz ZKHPDFQNFYDTAH-LSDHHAIUSA-N 1 3 266.433 0.436 10 0 CCAEHO CC[C@H](C)[C@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643120 521941627 /nfs/dbraw/zinc/94/16/27/521941627.db2.gz GHVAXYOMYSZWGN-KBPBESRZSA-N 1 3 256.438 0.539 10 0 CCAEHO CN1CCC[C@@H](CNC(=O)c2cc[nH+]c(NN)c2)C1 ZINC000051114256 523815444 /nfs/dbraw/zinc/81/54/44/523815444.db2.gz VSDJILRYDZJSJX-JTQLQIEISA-N 1 3 263.345 0.439 10 0 CCAEHO C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049631555 524165158 /nfs/dbraw/zinc/16/51/58/524165158.db2.gz UEVTVUUEKRNSQH-VXGBXAGGSA-N 1 3 277.434 0.388 10 0 CCAEHO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@@H]1C1CNCNC1 ZINC000669384840 545206283 /nfs/dbraw/zinc/20/62/83/545206283.db2.gz JFESKUDHTZKLEP-NEPJUHHUSA-N 1 3 284.404 0.256 10 0 CCAEHO CCC(CC)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1)[NH+]1CCCC1 ZINC000262424898 535144545 /nfs/dbraw/zinc/14/45/45/535144545.db2.gz RADLMWUITLMJAJ-ZNMIVQPWSA-N 1 3 297.443 0.726 10 0 CCAEHO OCCC[C@@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310558900 623347319 /nfs/dbraw/zinc/34/73/19/623347319.db2.gz JFEJSPYRTYYCPG-KBPBESRZSA-N 1 3 256.390 0.680 10 0 CCAEHO COCC[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052809695 623487103 /nfs/dbraw/zinc/48/71/03/623487103.db2.gz OLFCJOZQIMTSGP-KBPBESRZSA-N 1 3 279.384 0.769 10 0 CCAEHO CO[C@@H]1CCC[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000310877922 632969132 /nfs/dbraw/zinc/96/91/32/632969132.db2.gz NCFWJPFDKPMEID-BFHYXJOUSA-N 1 3 256.390 0.990 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC000054309015 348549761 /nfs/dbraw/zinc/54/97/61/348549761.db2.gz HFTSXYXDUAXLAB-RYUDHWBXSA-N 1 3 251.374 0.729 10 0 CCAEHO CC(C)(C(=O)NC1CCN(C2CC2)CC1)N1CC[NH2+]CC1 ZINC000129632837 350218662 /nfs/dbraw/zinc/21/86/62/350218662.db2.gz GZPZMNUFDUTTHK-UHFFFAOYSA-N 1 3 294.443 0.413 10 0 CCAEHO CC[N@@H+]1CCC[C@H](NC(=O)NCCN(C)CCOC)C1 ZINC000171200639 350893560 /nfs/dbraw/zinc/89/35/60/350893560.db2.gz AUJMRRVDSRUFET-ZDUSSCGKSA-N 1 3 286.420 0.348 10 0 CCAEHO CC[N@H+]1CCC[C@H](NC(=O)NCCN(C)CCOC)C1 ZINC000171200639 350893563 /nfs/dbraw/zinc/89/35/63/350893563.db2.gz AUJMRRVDSRUFET-ZDUSSCGKSA-N 1 3 286.420 0.348 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCNCC1 ZINC000226806783 352034735 /nfs/dbraw/zinc/03/47/35/352034735.db2.gz BXMNAERMSBBWFB-KGLIPLIRSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCNCC1 ZINC000226806783 352034737 /nfs/dbraw/zinc/03/47/37/352034737.db2.gz BXMNAERMSBBWFB-KGLIPLIRSA-N 1 3 294.443 0.413 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000250368568 352504422 /nfs/dbraw/zinc/50/44/22/352504422.db2.gz VGLGBLYDXFNCBR-OLZOCXBDSA-N 1 3 253.390 0.977 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000253268608 352529703 /nfs/dbraw/zinc/52/97/03/352529703.db2.gz YYODTRBINYCFKK-BRXULGCHSA-N 1 3 295.427 0.681 10 0 CCAEHO CC(=O)Nc1ccccc1[C@H]1CNCCN1CC[NH3+] ZINC000616602974 365382118 /nfs/dbraw/zinc/38/21/18/365382118.db2.gz DADYVVGXFHGXAF-CQSZACIVSA-N 1 3 262.357 0.550 10 0 CCAEHO [NH3+]CCN1CCNC[C@@H]1c1ccc2nnccc2c1 ZINC000616635719 365394772 /nfs/dbraw/zinc/39/47/72/365394772.db2.gz FZENWYRWMGVDOG-CQSZACIVSA-N 1 3 257.341 0.535 10 0 CCAEHO [NH3+]C[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CCCOC1 ZINC000638109372 374675778 /nfs/dbraw/zinc/67/57/78/374675778.db2.gz ULRMUVAQXUZEGB-GXTWGEPZSA-N 1 3 267.373 0.049 10 0 CCAEHO NC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F ZINC000638397163 374992554 /nfs/dbraw/zinc/99/25/54/374992554.db2.gz PLIGAVCWBIERIO-SECBINFHSA-N 1 3 279.306 0.868 10 0 CCAEHO CC[C@H](C(N)=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247390492 389239215 /nfs/dbraw/zinc/23/92/15/389239215.db2.gz XBHBYXXOADRXCI-WCQYABFASA-N 1 3 271.405 0.275 10 0 CCAEHO C[C@@H](NCC(C)(C)N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000400349054 389797310 /nfs/dbraw/zinc/79/73/10/389797310.db2.gz JCXIQFZPCLIUAV-OLZOCXBDSA-N 1 3 255.406 0.685 10 0 CCAEHO [NH3+]C1CCC(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000044726788 411631995 /nfs/dbraw/zinc/63/19/95/411631995.db2.gz INVJOBHFDCNAIJ-MCIGGMRASA-N 1 3 251.374 0.857 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653115515 412226290 /nfs/dbraw/zinc/22/62/90/412226290.db2.gz REKYLWFUWRPMEI-GMTAPVOTSA-N 1 3 293.333 0.937 10 0 CCAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N(C)C1CC1 ZINC000653116759 412227120 /nfs/dbraw/zinc/22/71/20/412227120.db2.gz RIEQROQSJNYCOX-FBIMIBRVSA-N 1 3 293.333 0.983 10 0 CCAEHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCN1C ZINC000653119399 412230612 /nfs/dbraw/zinc/23/06/12/412230612.db2.gz IDHHYKVGKDNVSK-UKKRHICBSA-N 1 3 293.333 0.983 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CCC2(CNC2)O1 ZINC000662264529 414702804 /nfs/dbraw/zinc/70/28/04/414702804.db2.gz SGJRNJPMOYHUGF-MGPQQGTHSA-N 1 3 265.401 0.676 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H]1CCC2(CNC2)O1 ZINC000662264529 414702805 /nfs/dbraw/zinc/70/28/05/414702805.db2.gz SGJRNJPMOYHUGF-MGPQQGTHSA-N 1 3 265.401 0.676 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662789498 414794201 /nfs/dbraw/zinc/79/42/01/414794201.db2.gz YCZWDABYYXDBHC-LLVKDONJSA-N 1 3 251.374 0.811 10 0 CCAEHO CC[C@H](C)[NH2+]CC(=O)Nc1ccnn1C1CNC1 ZINC000725258228 545882595 /nfs/dbraw/zinc/88/25/95/545882595.db2.gz LMVQBCOMCAXYBG-VIFPVBQESA-N 1 3 251.334 0.354 10 0 CCAEHO O=C(N1CCN2CCC[C@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223762998 544825504 /nfs/dbraw/zinc/82/55/04/544825504.db2.gz XJRVFXDGUXRCDT-CMPLNLGQSA-N 1 3 291.317 0.835 10 0 CCAEHO COCCN(C)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000249978544 544921189 /nfs/dbraw/zinc/92/11/89/544921189.db2.gz KEULMXKAVVUUQI-RYUDHWBXSA-N 1 3 257.378 0.056 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000250645448 544923705 /nfs/dbraw/zinc/92/37/05/544923705.db2.gz JQJGWLRIWRXTBM-AVGNSLFASA-N 1 3 251.374 0.668 10 0 CCAEHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)N(C)C1 ZINC000333881898 545044022 /nfs/dbraw/zinc/04/40/22/545044022.db2.gz WIFNJDWYQJEZPB-RFGFWPKPSA-N 1 3 298.431 0.487 10 0 CCAEHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000343710997 288098379 /nfs/dbraw/zinc/09/83/79/288098379.db2.gz KKFTYOZCCJCTTG-MGPQQGTHSA-N 1 3 255.406 0.373 10 0 CCAEHO CCN(CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000227432968 279203214 /nfs/dbraw/zinc/20/32/14/279203214.db2.gz ITDDRSFSWBKBLJ-DGCLKSJQSA-N 1 3 253.390 0.962 10 0 CCAEHO [NH3+][C@H]1CCC[C@@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000085364034 295336787 /nfs/dbraw/zinc/33/67/87/295336787.db2.gz RQRCEGPZRIEYPW-STQMWFEESA-N 1 3 251.374 0.857 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000389742354 545087093 /nfs/dbraw/zinc/08/70/93/545087093.db2.gz OFQSVZPEAOSORF-LLVKDONJSA-N 1 3 255.362 0.095 10 0 CCAEHO NC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)Cc2ccccc2C1 ZINC000248629113 303473432 /nfs/dbraw/zinc/47/34/32/303473432.db2.gz ORSQHNGXCNEBJU-SOUVJXGZSA-N 1 3 285.391 0.678 10 0 CCAEHO CC[NH+](CC)CCCNS(=O)(=O)CCNC(C)C ZINC000049641711 520621805 /nfs/dbraw/zinc/62/18/05/520621805.db2.gz BNVHOODINASJPZ-UHFFFAOYSA-N 1 3 279.450 0.636 10 0 CCAEHO CC[NH+](CC)C[C@@H](O)CN[C@@H](CN(C)C)C(C)C ZINC000049204472 520722038 /nfs/dbraw/zinc/72/20/38/520722038.db2.gz AIKFPTPZFOPANA-KBPBESRZSA-N 1 3 259.438 0.865 10 0 CCAEHO CC[NH+](CC)C[C@H](O)CN[C@H](CN(C)C)C(C)C ZINC000049204474 520738074 /nfs/dbraw/zinc/73/80/74/520738074.db2.gz AIKFPTPZFOPANA-ZIAGYGMSSA-N 1 3 259.438 0.865 10 0 CCAEHO COCC[C@H](N)C(=O)NCCCC[N@H+](C)C(C)C ZINC000052810337 521941838 /nfs/dbraw/zinc/94/18/38/521941838.db2.gz WLFBCLKANPROIM-LBPRGKRZSA-N 1 3 259.394 0.587 10 0 CCAEHO COCC[C@H](N)C(=O)NCCCC[N@@H+](C)C(C)C ZINC000052810337 521941843 /nfs/dbraw/zinc/94/18/43/521941843.db2.gz WLFBCLKANPROIM-LBPRGKRZSA-N 1 3 259.394 0.587 10 0 CCAEHO NNc1ccc(C(=O)N[C@H]2CCN3CCC[C@H]23)c[nH+]1 ZINC000051116582 527278192 /nfs/dbraw/zinc/27/81/92/527278192.db2.gz YQLSPTWAVGYJKY-WDEREUQCSA-N 1 3 261.329 0.334 10 0 CCAEHO COCC[C@H](N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000052791730 623059247 /nfs/dbraw/zinc/05/92/47/623059247.db2.gz HSUUHZHRHJGCKS-NEPJUHHUSA-N 1 3 259.394 0.443 10 0 CCAEHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000262049920 631817921 /nfs/dbraw/zinc/81/79/21/631817921.db2.gz ZOHXDDNWNSKXAB-GWOFURMSSA-N 1 3 282.306 0.656 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000262163373 631996007 /nfs/dbraw/zinc/99/60/07/631996007.db2.gz TVCLMTHHYBRRBI-PZWNZHSQSA-N 1 3 274.455 0.536 10 0 CCAEHO CN(CC1CCN(C)CC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091542573 349466896 /nfs/dbraw/zinc/46/68/96/349466896.db2.gz VYZWPMVRMZCCOW-CHWSQXEVSA-N 1 3 253.390 0.914 10 0 CCAEHO O=C1CNC(=O)N1CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000103143642 349690924 /nfs/dbraw/zinc/69/09/24/349690924.db2.gz MLDOPVJZHLDKOG-UHFFFAOYSA-N 1 3 294.399 0.346 10 0 CCAEHO C[C@H](O)CN1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000245629719 290114086 /nfs/dbraw/zinc/11/40/86/290114086.db2.gz PTFOEAUUNXVBKC-KKUMJFAQSA-N 1 3 269.433 0.858 10 0 CCAEHO C[C@H](O)CN1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000245629719 290114088 /nfs/dbraw/zinc/11/40/88/290114088.db2.gz PTFOEAUUNXVBKC-KKUMJFAQSA-N 1 3 269.433 0.858 10 0 CCAEHO COc1ccccc1C[C@H](C)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263291702 137063124 /nfs/dbraw/zinc/06/31/24/137063124.db2.gz VTHNFFWEUFNTQI-UBHSHLNASA-N 1 3 264.369 0.796 10 0 CCAEHO C[C@H](Cc1nc([C@@H]2CNCCN2C)no1)[C@H]1CCC[NH2+]C1 ZINC000263217853 137060680 /nfs/dbraw/zinc/06/06/80/137060680.db2.gz LFHMNXWMWUSUAQ-AGIUHOORSA-N 1 3 293.415 0.824 10 0 CCAEHO CN1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000258311772 282708650 /nfs/dbraw/zinc/70/86/50/282708650.db2.gz CWSSUCTZVSKASW-LBPRGKRZSA-N 1 3 254.378 0.522 10 0 CCAEHO CC[NH+](CC)CCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000171897189 350941422 /nfs/dbraw/zinc/94/14/22/350941422.db2.gz HJCSUXURCUXVHA-ZDUSSCGKSA-N 1 3 268.405 0.818 10 0 CCAEHO COCCCN(C)CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000173913989 351061579 /nfs/dbraw/zinc/06/15/79/351061579.db2.gz GXQHAZDCHQYHBV-ZDUSSCGKSA-N 1 3 286.420 0.300 10 0 CCAEHO C[NH+]1CCC(CCNC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188743331 351624920 /nfs/dbraw/zinc/62/49/20/351624920.db2.gz UISJBERRFDDOGZ-UHFFFAOYSA-N 1 3 291.399 0.517 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CCN1C ZINC000333423788 354758523 /nfs/dbraw/zinc/75/85/23/354758523.db2.gz SXFHTUWEOIXUQK-AGIUHOORSA-N 1 3 268.405 0.910 10 0 CCAEHO Cc1noc(CCCN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000567890453 358607509 /nfs/dbraw/zinc/60/75/09/358607509.db2.gz QKCRFSTXKRACOP-SRVKXCTJSA-N 1 3 250.346 0.980 10 0 CCAEHO CCOC(=O)c1ccc([C@@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616634298 365393513 /nfs/dbraw/zinc/39/35/13/365393513.db2.gz QFNKJAWQQPUEHB-AWEZNQCLSA-N 1 3 277.368 0.768 10 0 CCAEHO O[C@H]1COCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000628467021 369270452 /nfs/dbraw/zinc/27/04/52/369270452.db2.gz MRYHELKQBVKLCE-CABCVRRESA-N 1 3 277.368 0.790 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765707 372213095 /nfs/dbraw/zinc/21/30/95/372213095.db2.gz AHSOZGRDWPVJDC-OBJOEFQTSA-N 1 3 251.374 0.587 10 0 CCAEHO CCN(CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634767484 372215779 /nfs/dbraw/zinc/21/57/79/372215779.db2.gz YKCCSQNBNDYDTK-WFASDCNBSA-N 1 3 265.401 0.977 10 0 CCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638071211 374621294 /nfs/dbraw/zinc/62/12/94/374621294.db2.gz HGIWKGCCTPVCMF-GRYCIOLGSA-N 1 3 257.378 0.195 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638107776 374673956 /nfs/dbraw/zinc/67/39/56/374673956.db2.gz GPXBOXRFRSUAOK-HIFRSBDPSA-N 1 3 283.416 0.685 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CCC([NH3+])CC2)C1 ZINC000335285668 208102442 /nfs/dbraw/zinc/10/24/42/208102442.db2.gz QAIOSANUZVTJFO-LBPRGKRZSA-N 1 3 254.378 0.603 10 0 CCAEHO NC(=O)[C@@]1(O)CCC[N@H+](CCCN2CCCCC2)C1 ZINC000375477689 389680377 /nfs/dbraw/zinc/68/03/77/389680377.db2.gz FALKWBUJYNBQPQ-CQSZACIVSA-N 1 3 269.389 0.175 10 0 CCAEHO NC(=O)[C@@]1(O)CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000375477689 389680381 /nfs/dbraw/zinc/68/03/81/389680381.db2.gz FALKWBUJYNBQPQ-CQSZACIVSA-N 1 3 269.389 0.175 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649335293 390591248 /nfs/dbraw/zinc/59/12/48/390591248.db2.gz QIKBVGDJHMDERL-IJLUTSLNSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1NCC1(C)C ZINC000649335293 390591252 /nfs/dbraw/zinc/59/12/52/390591252.db2.gz QIKBVGDJHMDERL-IJLUTSLNSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1NCC1(C)C ZINC000649335293 390591255 /nfs/dbraw/zinc/59/12/55/390591255.db2.gz QIKBVGDJHMDERL-IJLUTSLNSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1CNCCN1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333788425 297102254 /nfs/dbraw/zinc/10/22/54/297102254.db2.gz MCWAFAKUAHQLGP-CYBMUJFWSA-N 1 3 297.447 0.016 10 0 CCAEHO C[C@@H]1CNCCN1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000333788425 297102257 /nfs/dbraw/zinc/10/22/57/297102257.db2.gz MCWAFAKUAHQLGP-CYBMUJFWSA-N 1 3 297.447 0.016 10 0 CCAEHO CN1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000310775357 411747922 /nfs/dbraw/zinc/74/79/22/411747922.db2.gz ALNFWCZRYUHPKB-CHWSQXEVSA-N 1 3 253.390 0.977 10 0 CCAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N(C)C ZINC000653112539 412224055 /nfs/dbraw/zinc/22/40/55/412224055.db2.gz ALBWIOYOUWAPJD-DJLDLDEBSA-N 1 3 267.295 0.451 10 0 CCAEHO CN(CCN1CCOCC1)Cc1ccc(C[NH3+])cc1 ZINC000037757946 173681316 /nfs/dbraw/zinc/68/13/16/173681316.db2.gz RSUYEQFLQZBQRY-UHFFFAOYSA-N 1 3 263.385 0.909 10 0 CCAEHO CC[C@@H](C)[NH2+]CC(=O)Nc1ccnn1C1CNC1 ZINC000725258227 545882553 /nfs/dbraw/zinc/88/25/53/545882553.db2.gz LMVQBCOMCAXYBG-SECBINFHSA-N 1 3 251.334 0.354 10 0 CCAEHO CC(C)N1CCN([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264376 545884382 /nfs/dbraw/zinc/88/43/82/545884382.db2.gz JTSYLNQERZQSFV-KGLIPLIRSA-N 1 3 267.417 0.909 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000250347690 544922366 /nfs/dbraw/zinc/92/23/66/544922366.db2.gz QRZZMLAQNMBMJH-UPJWGTAASA-N 1 3 253.390 0.962 10 0 CCAEHO NC1(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)Cc2ccccc2C1 ZINC000184989896 295320024 /nfs/dbraw/zinc/32/00/24/295320024.db2.gz ORSQHNGXCNEBJU-RBSFLKMASA-N 1 3 285.391 0.678 10 0 CCAEHO CCCN1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000389523318 545086700 /nfs/dbraw/zinc/08/67/00/545086700.db2.gz AAYSGAJCNBLMHB-STQMWFEESA-N 1 3 253.390 0.977 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000389540350 545086985 /nfs/dbraw/zinc/08/69/85/545086985.db2.gz FQMBZDPBAPSPLH-FRRDWIJNSA-N 1 3 253.390 0.962 10 0 CCAEHO CCC[NH2+]C[C@@H]1CCN(CCN(C)CCOC)C1 ZINC000061379316 519922254 /nfs/dbraw/zinc/92/22/54/519922254.db2.gz GTULSOQDPKKPJI-AWEZNQCLSA-N 1 3 257.422 0.886 10 0 CCAEHO CCNCCS(=O)(=O)NCCC[NH+](CC)CC ZINC000049641720 519926298 /nfs/dbraw/zinc/92/62/98/519926298.db2.gz VFEOZJLFHSXIPK-UHFFFAOYSA-N 1 3 265.423 0.247 10 0 CCAEHO CN(C)C[C@@H]1CCCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000061644056 521828375 /nfs/dbraw/zinc/82/83/75/521828375.db2.gz AAUGABKSJARKRG-LBPRGKRZSA-N 1 3 269.389 0.295 10 0 CCAEHO C[NH2+]C[C@H]1CC[C@H](CN(CCOC)CCOC)O1 ZINC000052571478 522095944 /nfs/dbraw/zinc/09/59/44/522095944.db2.gz YRRMOKPIYXTVQL-CHWSQXEVSA-N 1 3 260.378 0.348 10 0 CCAEHO CC[C@@](C)(C[NH2+]C)CN1CCN(CCN(C)C)CC1 ZINC000061653737 523638936 /nfs/dbraw/zinc/63/89/36/523638936.db2.gz LXZRLOJLAHKEKV-HNNXBMFYSA-N 1 3 270.465 0.801 10 0 CCAEHO C[C@@H](CN1CCCC1)NS(=O)(=O)CCCC[NH3+] ZINC000049181480 524593424 /nfs/dbraw/zinc/59/34/24/524593424.db2.gz LIPHAVUQCBKXNC-NSHDSACASA-N 1 3 263.407 0.129 10 0 CCAEHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1C ZINC000157873973 524915328 /nfs/dbraw/zinc/91/53/28/524915328.db2.gz GQJWKDCJRLGSNV-UMSGYPCISA-N 1 3 253.390 0.960 10 0 CCAEHO O[C@@H]1CCOC[C@H]1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034420 527675891 /nfs/dbraw/zinc/67/58/91/527675891.db2.gz IYCZPBQSWMNWDP-HUUCEWRRSA-N 1 3 268.401 0.944 10 0 CCAEHO COCCN1CCN([C@@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675052870 545320423 /nfs/dbraw/zinc/32/04/23/545320423.db2.gz BIRLEOIMWGMBTR-UONOGXRCSA-N 1 3 255.406 0.768 10 0 CCAEHO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CN(C)C(C)C)C[C@@H]1C ZINC000311579010 623763749 /nfs/dbraw/zinc/76/37/49/623763749.db2.gz ODUZZASJDUUPBX-RWMBFGLXSA-N 1 3 272.389 0.428 10 0 CCAEHO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CN(C)C(C)C)C[C@@H]1C ZINC000311579010 623763763 /nfs/dbraw/zinc/76/37/63/623763763.db2.gz ODUZZASJDUUPBX-RWMBFGLXSA-N 1 3 272.389 0.428 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000094459723 349568488 /nfs/dbraw/zinc/56/84/88/349568488.db2.gz OWVCZPJWSLVTMW-CHWSQXEVSA-N 1 3 281.400 0.450 10 0 CCAEHO CN(C)CCc1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000096884482 185120170 /nfs/dbraw/zinc/12/01/70/185120170.db2.gz NSVIBAMHOZNGDU-VIFPVBQESA-N 1 3 256.375 0.421 10 0 CCAEHO CCC[C@@](C)(N)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262509902 137045355 /nfs/dbraw/zinc/04/53/55/137045355.db2.gz BAYZJZMYFIUVKU-DZGCQCFKSA-N 1 3 285.432 0.857 10 0 CCAEHO CCC[C@@](C)(N)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262509902 137045356 /nfs/dbraw/zinc/04/53/56/137045356.db2.gz BAYZJZMYFIUVKU-DZGCQCFKSA-N 1 3 285.432 0.857 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000054307974 348549336 /nfs/dbraw/zinc/54/93/36/348549336.db2.gz TXLJWMOFVZQARW-QWHCGFSZSA-N 1 3 251.374 0.683 10 0 CCAEHO C[C@@H](CC[NH+](C)C)NC(=O)C(C)(C)N1CCNCC1 ZINC000131263675 350270223 /nfs/dbraw/zinc/27/02/23/350270223.db2.gz NEGBEILXQLUBRJ-LBPRGKRZSA-N 1 3 270.421 0.127 10 0 CCAEHO CC(C)(C)[C@H](O)CNC[C@H](O)C[NH+]1CCCCC1 ZINC000324483756 354230978 /nfs/dbraw/zinc/23/09/78/354230978.db2.gz JPWNJZWTLSYFKX-QWHCGFSZSA-N 1 3 258.406 0.830 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638079030 374636567 /nfs/dbraw/zinc/63/65/67/374636567.db2.gz JQJHAKMPEZTXBM-OCCSQVGLSA-N 1 3 269.389 0.342 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638110040 374678778 /nfs/dbraw/zinc/67/87/78/374678778.db2.gz ZMUZCSVJVJAKIB-SDDRHHMPSA-N 1 3 255.362 0.045 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638110040 374678784 /nfs/dbraw/zinc/67/87/84/374678784.db2.gz ZMUZCSVJVJAKIB-SDDRHHMPSA-N 1 3 255.362 0.045 10 0 CCAEHO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CN2CCC1CC2 ZINC000311064685 389101022 /nfs/dbraw/zinc/10/10/22/389101022.db2.gz KQPVPGIIHLLBQA-JHJVBQTASA-N 1 3 251.374 0.666 10 0 CCAEHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625817 389214989 /nfs/dbraw/zinc/21/49/89/389214989.db2.gz OYPRYFJTDWXIFC-LSDHHAIUSA-N 1 3 267.417 0.877 10 0 CCAEHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625817 389214991 /nfs/dbraw/zinc/21/49/91/389214991.db2.gz OYPRYFJTDWXIFC-LSDHHAIUSA-N 1 3 267.417 0.877 10 0 CCAEHO CC(C)CN(CCN(C)C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643774214 390540241 /nfs/dbraw/zinc/54/02/41/390540241.db2.gz QJHARSKXLLOKKO-ZDUSSCGKSA-N 1 3 271.405 0.269 10 0 CCAEHO CCN1CCC(NC(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000649279090 390546354 /nfs/dbraw/zinc/54/63/54/390546354.db2.gz VNXKKYQZZBIPAT-AWEZNQCLSA-N 1 3 269.389 0.356 10 0 CCAEHO COC[C@]1(C(=O)N[C@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000649293966 390556465 /nfs/dbraw/zinc/55/64/65/390556465.db2.gz UONIJZLJBHYXKS-HIFRSBDPSA-N 1 3 283.416 0.746 10 0 CCAEHO CN1C[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000657695931 413050277 /nfs/dbraw/zinc/05/02/77/413050277.db2.gz QKAVVIUAXIDRMD-AVGNSLFASA-N 1 3 251.374 0.681 10 0 CCAEHO CN1C[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000657695931 413050283 /nfs/dbraw/zinc/05/02/83/413050283.db2.gz QKAVVIUAXIDRMD-AVGNSLFASA-N 1 3 251.374 0.681 10 0 CCAEHO CN1C[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1=O ZINC000657695931 413050289 /nfs/dbraw/zinc/05/02/89/413050289.db2.gz QKAVVIUAXIDRMD-AVGNSLFASA-N 1 3 251.374 0.681 10 0 CCAEHO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@@H]1CCCNC1 ZINC000665230873 415570479 /nfs/dbraw/zinc/57/04/79/415570479.db2.gz XKXXWZKBOLQANY-NWDGAFQWSA-N 1 3 277.434 0.246 10 0 CCAEHO CCOC(=O)[C@](C)(N)CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191010 176067998 /nfs/dbraw/zinc/06/79/98/176067998.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 1 3 271.405 0.541 10 0 CCAEHO CCOC(=O)[C@](C)(N)CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191010 176068000 /nfs/dbraw/zinc/06/80/00/176068000.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 1 3 271.405 0.541 10 0 CCAEHO CCOC(=O)[C@](C)(N)CC[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191010 176068001 /nfs/dbraw/zinc/06/80/01/176068001.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 1 3 271.405 0.541 10 0 CCAEHO CCOC(=O)[C@](C)(N)CC[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071191010 176068002 /nfs/dbraw/zinc/06/80/02/176068002.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 1 3 271.405 0.541 10 0 CCAEHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258547 545881340 /nfs/dbraw/zinc/88/13/40/545881340.db2.gz RYIYEIGMUPDWBM-SNVBAGLBSA-N 1 3 251.334 0.197 10 0 CCAEHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250643841 544924245 /nfs/dbraw/zinc/92/42/45/544924245.db2.gz UOYRYBCWYNIUPI-FRRDWIJNSA-N 1 3 253.390 0.819 10 0 CCAEHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261674765 544936827 /nfs/dbraw/zinc/93/68/27/544936827.db2.gz GKAAYRRAGHEKPL-MGPQQGTHSA-N 1 3 283.416 0.588 10 0 CCAEHO C[C@H](Cc1ccc(F)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262086839 544939287 /nfs/dbraw/zinc/93/92/87/544939287.db2.gz GEOQUYOUTRRJGL-SCDSUCTJSA-N 1 3 252.333 0.927 10 0 CCAEHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333754023 545042795 /nfs/dbraw/zinc/04/27/95/545042795.db2.gz ALQGOQQGPXCHBL-QWHCGFSZSA-N 1 3 268.405 0.770 10 0 CCAEHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333753994 545042825 /nfs/dbraw/zinc/04/28/25/545042825.db2.gz ALQGOQQGPXCHBL-CHWSQXEVSA-N 1 3 268.405 0.770 10 0 CCAEHO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCCNCC2)C1 ZINC000334937233 289325226 /nfs/dbraw/zinc/32/52/26/289325226.db2.gz LWLUZYNCSVMUKN-NWDGAFQWSA-N 1 3 254.378 0.474 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000334926538 289383206 /nfs/dbraw/zinc/38/32/06/289383206.db2.gz DGYQOUFWFAOROO-RYUDHWBXSA-N 1 3 254.378 0.474 10 0 CCAEHO N[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000262022344 295291336 /nfs/dbraw/zinc/29/13/36/295291336.db2.gz OVTKKFGLFQSKOJ-OAHLLOKOSA-N 1 3 295.427 0.827 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000389615543 545086755 /nfs/dbraw/zinc/08/67/55/545086755.db2.gz ZEILJXXODOEVQT-CYBMUJFWSA-N 1 3 282.432 0.271 10 0 CCAEHO CCO[C@@H]1CCC[N@H+](CCn2cc(CN)nn2)C1 ZINC000052372231 520320181 /nfs/dbraw/zinc/32/01/81/520320181.db2.gz HUZVJMJOWAFWMF-GFCCVEGCSA-N 1 3 253.350 0.238 10 0 CCAEHO CCO[C@@H]1CCC[N@@H+](CCn2cc(CN)nn2)C1 ZINC000052372231 520320189 /nfs/dbraw/zinc/32/01/89/520320189.db2.gz HUZVJMJOWAFWMF-GFCCVEGCSA-N 1 3 253.350 0.238 10 0 CCAEHO CN(C)CCN1CCN(C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000061653811 521764968 /nfs/dbraw/zinc/76/49/68/521764968.db2.gz ZXGRIUPEWJVBLH-HUUCEWRRSA-N 1 3 268.449 0.683 10 0 CCAEHO CN(C)C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000061645154 521860445 /nfs/dbraw/zinc/86/04/45/521860445.db2.gz CXDVFTUEVODIAC-QWHCGFSZSA-N 1 3 253.390 0.929 10 0 CCAEHO CC[NH+](CC)C[C@H](O)CN[C@@H](CN(C)C)C(C)C ZINC000049204469 520737336 /nfs/dbraw/zinc/73/73/36/520737336.db2.gz AIKFPTPZFOPANA-KGLIPLIRSA-N 1 3 259.438 0.865 10 0 CCAEHO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049557584 523356734 /nfs/dbraw/zinc/35/67/34/523356734.db2.gz PWDADPWBYLWGHM-NEPJUHHUSA-N 1 3 259.394 0.457 10 0 CCAEHO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@H]1C1CNCNC1 ZINC000669384842 545206389 /nfs/dbraw/zinc/20/63/89/545206389.db2.gz JFESKUDHTZKLEP-RYUDHWBXSA-N 1 3 284.404 0.256 10 0 CCAEHO CC(C)OC[C@H](O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311018891 633200943 /nfs/dbraw/zinc/20/09/43/633200943.db2.gz QPZWKKRCKBEGIZ-MJBXVCDLSA-N 1 3 256.390 0.833 10 0 CCAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000090798879 349443860 /nfs/dbraw/zinc/44/38/60/349443860.db2.gz PRKPHWJYXGYSDS-UPJWGTAASA-N 1 3 289.445 0.340 10 0 CCAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000090798879 349443862 /nfs/dbraw/zinc/44/38/62/349443862.db2.gz PRKPHWJYXGYSDS-UPJWGTAASA-N 1 3 289.445 0.340 10 0 CCAEHO CS[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1N(C)C ZINC000262462496 295671023 /nfs/dbraw/zinc/67/10/23/295671023.db2.gz VZIFKKNXUSIDSG-CYDGBPFRSA-N 1 3 285.457 0.879 10 0 CCAEHO C[C@H](CNC(=O)N1CC[C@H](N(C)C)C1)[N@H+](C)C1CC1 ZINC000105269523 349721331 /nfs/dbraw/zinc/72/13/31/349721331.db2.gz NJAMLIJDTHDSAZ-YPMHNXCESA-N 1 3 268.405 0.815 10 0 CCAEHO C[C@H](CNC(=O)N1CC[C@H](N(C)C)C1)[N@@H+](C)C1CC1 ZINC000105269523 349721334 /nfs/dbraw/zinc/72/13/34/349721334.db2.gz NJAMLIJDTHDSAZ-YPMHNXCESA-N 1 3 268.405 0.815 10 0 CCAEHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000091393991 282254074 /nfs/dbraw/zinc/25/40/74/282254074.db2.gz DAAQIIHFTSLLLS-FRRDWIJNSA-N 1 3 253.390 0.914 10 0 CCAEHO CCC[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)N(C)C ZINC000162149105 290738704 /nfs/dbraw/zinc/73/87/04/290738704.db2.gz BHRVSXDZPQWOES-ZDUSSCGKSA-N 1 3 285.432 0.944 10 0 CCAEHO C[C@H](O)CN1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000245629721 290113852 /nfs/dbraw/zinc/11/38/52/290113852.db2.gz PTFOEAUUNXVBKC-SOUVJXGZSA-N 1 3 269.433 0.858 10 0 CCAEHO C[C@H](O)CN1CCN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000245629721 290113856 /nfs/dbraw/zinc/11/38/56/290113856.db2.gz PTFOEAUUNXVBKC-SOUVJXGZSA-N 1 3 269.433 0.858 10 0 CCAEHO C[C@H](CNC(=O)C1C[NH2+]C1)N(C)Cc1ccccc1 ZINC000263303521 137063627 /nfs/dbraw/zinc/06/36/27/137063627.db2.gz NXPYFHXNPAGJIZ-GFCCVEGCSA-N 1 3 261.369 0.843 10 0 CCAEHO COCCNC(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000104444682 186004978 /nfs/dbraw/zinc/00/49/78/186004978.db2.gz HPSQWBFZXSJUJQ-MNOVXSKESA-N 1 3 257.378 0.197 10 0 CCAEHO CC(C)(C(=O)N1CC[C@H](N2CCCC2)C1)N1CC[NH2+]CC1 ZINC000129743660 350222214 /nfs/dbraw/zinc/22/22/14/350222214.db2.gz AKSGSYHRZJYSLX-AWEZNQCLSA-N 1 3 294.443 0.367 10 0 CCAEHO CN(C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccnc1 ZINC000169793214 350840827 /nfs/dbraw/zinc/84/08/27/350840827.db2.gz WXEQZZRHUBXBAG-UONOGXRCSA-N 1 3 276.384 0.405 10 0 CCAEHO CN(C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1cccnc1 ZINC000169793214 350840830 /nfs/dbraw/zinc/84/08/30/350840830.db2.gz WXEQZZRHUBXBAG-UONOGXRCSA-N 1 3 276.384 0.405 10 0 CCAEHO CC[N@H+](CCNC(=O)N1CC[C@H](N(C)C)C1)C1CC1 ZINC000170836414 350867129 /nfs/dbraw/zinc/86/71/29/350867129.db2.gz NYOGOSDIRBNHTL-ZDUSSCGKSA-N 1 3 268.405 0.816 10 0 CCAEHO CC[N@@H+](CCNC(=O)N1CC[C@H](N(C)C)C1)C1CC1 ZINC000170836414 350867131 /nfs/dbraw/zinc/86/71/31/350867131.db2.gz NYOGOSDIRBNHTL-ZDUSSCGKSA-N 1 3 268.405 0.816 10 0 CCAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)N1CCNCC1 ZINC000226397134 352026130 /nfs/dbraw/zinc/02/61/30/352026130.db2.gz YEWFHCCPTRJNIP-CYBMUJFWSA-N 1 3 284.448 0.517 10 0 CCAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)N1CCNCC1 ZINC000226397134 352026134 /nfs/dbraw/zinc/02/61/34/352026134.db2.gz YEWFHCCPTRJNIP-CYBMUJFWSA-N 1 3 284.448 0.517 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247239277 352405792 /nfs/dbraw/zinc/40/57/92/352405792.db2.gz XSCFMUJHPVSMIJ-KGLIPLIRSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247239277 352405793 /nfs/dbraw/zinc/40/57/93/352405793.db2.gz XSCFMUJHPVSMIJ-KGLIPLIRSA-N 1 3 280.416 0.960 10 0 CCAEHO CN1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000258311766 352555608 /nfs/dbraw/zinc/55/56/08/352555608.db2.gz CWSSUCTZVSKASW-GFCCVEGCSA-N 1 3 254.378 0.522 10 0 CCAEHO COCCN(C)C[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000312824598 354210525 /nfs/dbraw/zinc/21/05/25/354210525.db2.gz UBHQBKYPBKUOHC-ZNMIVQPWSA-N 1 3 285.432 0.094 10 0 CCAEHO COCCN(C)C[C@H](O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000312824598 354210528 /nfs/dbraw/zinc/21/05/28/354210528.db2.gz UBHQBKYPBKUOHC-ZNMIVQPWSA-N 1 3 285.432 0.094 10 0 CCAEHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000328655574 354245873 /nfs/dbraw/zinc/24/58/73/354245873.db2.gz YMFURVJPPJDPBK-HNNXBMFYSA-N 1 3 297.443 0.896 10 0 CCAEHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000328655574 354245879 /nfs/dbraw/zinc/24/58/79/354245879.db2.gz YMFURVJPPJDPBK-HNNXBMFYSA-N 1 3 297.443 0.896 10 0 CCAEHO CC(=O)Nc1ccc([C@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616656937 365411141 /nfs/dbraw/zinc/41/11/41/365411141.db2.gz VKCWELQBHFQVSE-CQSZACIVSA-N 1 3 262.357 0.550 10 0 CCAEHO C[C@]1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCC[NH2+]1 ZINC000252769040 291362782 /nfs/dbraw/zinc/36/27/82/291362782.db2.gz HHABURYOWDPAAR-KCQAQPDRSA-N 1 3 281.400 0.498 10 0 CCAEHO [NH3+]C[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CCCOC1 ZINC000638109373 374675325 /nfs/dbraw/zinc/67/53/25/374675325.db2.gz ULRMUVAQXUZEGB-JSGCOSHPSA-N 1 3 267.373 0.049 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638109294 374676192 /nfs/dbraw/zinc/67/61/92/374676192.db2.gz TUDLYLFIIQNSTK-VNHYZAJKSA-N 1 3 283.416 0.696 10 0 CCAEHO NC1(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000361726993 295200971 /nfs/dbraw/zinc/20/09/71/295200971.db2.gz JSWLTEPKJYUUAR-LBPRGKRZSA-N 1 3 251.374 0.955 10 0 CCAEHO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CN2CCC1CC2 ZINC000311064686 389100752 /nfs/dbraw/zinc/10/07/52/389100752.db2.gz KQPVPGIIHLLBQA-UPJWGTAASA-N 1 3 251.374 0.666 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000334345764 389469153 /nfs/dbraw/zinc/46/91/53/389469153.db2.gz VGXYKYMETCCARR-OLZOCXBDSA-N 1 3 266.389 0.570 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000334345764 389469157 /nfs/dbraw/zinc/46/91/57/389469157.db2.gz VGXYKYMETCCARR-OLZOCXBDSA-N 1 3 266.389 0.570 10 0 CCAEHO O[C@@]1(CN[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000422980756 389516278 /nfs/dbraw/zinc/51/62/78/389516278.db2.gz QXLUGGHCXWXGBX-JKSUJKDBSA-N 1 3 275.396 0.575 10 0 CCAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1C[NH2+]C1 ZINC000335378888 389551634 /nfs/dbraw/zinc/55/16/34/389551634.db2.gz QBQKLVYEGPXJHK-NEPJUHHUSA-N 1 3 252.362 0.226 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649277320 390545268 /nfs/dbraw/zinc/54/52/68/390545268.db2.gz UUJUQYWDBGHOEK-OCCSQVGLSA-N 1 3 269.389 0.356 10 0 CCAEHO CCN(CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000300409067 411743187 /nfs/dbraw/zinc/74/31/87/411743187.db2.gz ITDDRSFSWBKBLJ-WCQYABFASA-N 1 3 253.390 0.962 10 0 CCAEHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653115516 412226013 /nfs/dbraw/zinc/22/60/13/412226013.db2.gz REKYLWFUWRPMEI-HBNTYKKESA-N 1 3 293.333 0.937 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111247281 544562276 /nfs/dbraw/zinc/56/22/76/544562276.db2.gz SXFDPAGJRDFCPG-ONGXEEELSA-N 1 3 279.306 0.691 10 0 CCAEHO CC(C)(C)OC(=O)[C@H]1CNC[C@@H](N2CC[NH2+]CC2)C1 ZINC000536961303 330384381 /nfs/dbraw/zinc/38/43/81/330384381.db2.gz YZIPTYWWQUNRHL-NEPJUHHUSA-N 1 3 269.389 0.211 10 0 CCAEHO CC(C)N[C@H](CC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000062443206 519738111 /nfs/dbraw/zinc/73/81/11/519738111.db2.gz FJHHYUKRFAHDCJ-CYBMUJFWSA-N 1 3 270.421 0.254 10 0 CCAEHO CC(C)N[C@H](CC[N@@H+](C)C1CCN(C)CC1)C(N)=O ZINC000062443206 519738113 /nfs/dbraw/zinc/73/81/13/519738113.db2.gz FJHHYUKRFAHDCJ-CYBMUJFWSA-N 1 3 270.421 0.254 10 0 CCAEHO C[NH2+]C[C@H]1CC[C@@H](CN(CCOC)CCOC)O1 ZINC000052571480 522092821 /nfs/dbraw/zinc/09/28/21/522092821.db2.gz YRRMOKPIYXTVQL-OLZOCXBDSA-N 1 3 260.378 0.348 10 0 CCAEHO CC[C@@H](C)[NH2+]C[C@@H](C)N1CCN(CCN(C)C)CC1 ZINC000061655319 522229024 /nfs/dbraw/zinc/22/90/24/522229024.db2.gz UXVWASHABJICBI-HUUCEWRRSA-N 1 3 270.465 0.942 10 0 CCAEHO CO[C@@H]1C[NH2+][C@H](C(=O)N[C@H](CN(C)C)C(C)C)C1 ZINC000049220423 523742914 /nfs/dbraw/zinc/74/29/14/523742914.db2.gz AHHNIUSFRAYLCQ-SDDRHHMPSA-N 1 3 257.378 0.066 10 0 CCAEHO CSCC[C@H](N)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000049220944 525583809 /nfs/dbraw/zinc/58/38/09/525583809.db2.gz GTTINJJEAPMRDP-QWRGUYRKSA-N 1 3 261.435 0.769 10 0 CCAEHO CC(C)CN1CCN(Cc2c(C[NH3+])cnn2C)CC1 ZINC000675055961 545320606 /nfs/dbraw/zinc/32/06/06/545320606.db2.gz FKOHAHOYBJJYEP-UHFFFAOYSA-N 1 3 265.405 0.652 10 0 CCAEHO O[C@H](CNC[C@@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000224885710 581934555 /nfs/dbraw/zinc/93/45/55/581934555.db2.gz JGHWQKNTJMISKK-MJBXVCDLSA-N 1 3 256.390 0.584 10 0 CCAEHO CCN1CCC[C@H]1CN(C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000252571734 638401522 /nfs/dbraw/zinc/40/15/22/638401522.db2.gz BTAFGYIULPTMRS-STQMWFEESA-N 1 3 289.445 0.484 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251638490 649813870 /nfs/dbraw/zinc/81/38/70/649813870.db2.gz FTYIJNCHQKDSJC-UPJWGTAASA-N 1 3 287.429 0.237 10 0 CCAEHO C(C[NH+]1CCCC1)N1CCO[C@H]2CN(CC3CC3)C[C@H]21 ZINC000096054392 185076719 /nfs/dbraw/zinc/07/67/19/185076719.db2.gz KLMXDEAZRJHGKD-CVEARBPZSA-N 1 3 279.428 0.877 10 0 CCAEHO CN1CCCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000335705795 282265977 /nfs/dbraw/zinc/26/59/77/282265977.db2.gz OCJXPPUFSBOAQO-OLZOCXBDSA-N 1 3 268.405 0.816 10 0 CCAEHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796764 349872834 /nfs/dbraw/zinc/87/28/34/349872834.db2.gz BCAUECRCKDPJNU-GFCCVEGCSA-N 1 3 257.378 0.116 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2CN(C)C)C1 ZINC000040855360 348245196 /nfs/dbraw/zinc/24/51/96/348245196.db2.gz NARATUWCVPHQLX-HUUCEWRRSA-N 1 3 291.395 0.741 10 0 CCAEHO CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)N1CCNCC1 ZINC000129721568 350221446 /nfs/dbraw/zinc/22/14/46/350221446.db2.gz HRTJAYDBOPYQJM-ZDUSSCGKSA-N 1 3 284.448 0.517 10 0 CCAEHO CNCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186596994 351504942 /nfs/dbraw/zinc/50/49/42/351504942.db2.gz LXGXJSYBOMJORC-AWEZNQCLSA-N 1 3 276.384 0.772 10 0 CCAEHO CCN(CCC[NH+](C)C)C(=O)C(C)(C)N1CCNCC1 ZINC000230711050 352118450 /nfs/dbraw/zinc/11/84/50/352118450.db2.gz KHIZAYXKQPJBRW-UHFFFAOYSA-N 1 3 284.448 0.470 10 0 CCAEHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H]([NH+](C)C)C2)C1(C)C ZINC000231677127 352132340 /nfs/dbraw/zinc/13/23/40/352132340.db2.gz NCYGGACAYMEIHQ-JMSVASOKSA-N 1 3 283.416 0.681 10 0 CCAEHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824576 354800724 /nfs/dbraw/zinc/80/07/24/354800724.db2.gz RPTYFSZDWUPMKN-MQYQWHSLSA-N 1 3 298.431 0.081 10 0 CCAEHO C[C@H]1CCN(C(=O)C2CCN(C)CC2)[C@@H](C[NH3+])C1 ZINC000261924295 290532336 /nfs/dbraw/zinc/53/23/36/290532336.db2.gz ZFHBMOHRXZHYKW-WCQYABFASA-N 1 3 253.390 0.914 10 0 CCAEHO NC(=O)[C@H]1Cc2ccccc2CN1CC1CC[NH2+]CC1 ZINC000262006742 283358393 /nfs/dbraw/zinc/35/83/93/283358393.db2.gz FCXYTDOWKCQTFL-OAHLLOKOSA-N 1 3 273.380 0.898 10 0 CCAEHO CC(=O)Nc1ccc([C@H]2CNCCN2CC[NH3+])cc1 ZINC000616635703 365395251 /nfs/dbraw/zinc/39/52/51/365395251.db2.gz FKYFKNBSYJLKCP-CQSZACIVSA-N 1 3 262.357 0.550 10 0 CCAEHO CO[C@H]1CN(C(=O)C2CCN(C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630369402 370069901 /nfs/dbraw/zinc/06/99/01/370069901.db2.gz AWFVTNLDTQCHOW-TZMCWYRMSA-N 1 3 269.389 0.293 10 0 CCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638072722 374624867 /nfs/dbraw/zinc/62/48/67/374624867.db2.gz VCRRRUCOPATOFG-ZFWWWQNUSA-N 1 3 285.432 0.834 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638107411 374672939 /nfs/dbraw/zinc/67/29/39/374672939.db2.gz FHGUNQHESBVDII-STQMWFEESA-N 1 3 251.374 0.977 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089449695 285259562 /nfs/dbraw/zinc/25/95/62/285259562.db2.gz QRZZMLAQNMBMJH-JHJVBQTASA-N 1 3 253.390 0.962 10 0 CCAEHO O=C(NCCN1CCCCCC1)[C@H]1CCC[NH2+]C1 ZINC000040768204 388854083 /nfs/dbraw/zinc/85/40/83/388854083.db2.gz XHOPSIJZFXIZIL-ZDUSSCGKSA-N 1 3 253.390 0.978 10 0 CCAEHO O=C([C@H]1C[C@H](F)CN1)N1CCC([NH2+]CC2CC2)CC1 ZINC000188186388 388916921 /nfs/dbraw/zinc/91/69/21/388916921.db2.gz QXHFOIFNHVXPRH-WCQYABFASA-N 1 3 269.364 0.677 10 0 CCAEHO Cc1ccc([C@H](CNC(=O)C2C[NH2+]C2)N(C)C)cc1 ZINC000263347145 389299274 /nfs/dbraw/zinc/29/92/74/389299274.db2.gz ZIXPIIQGYIJHSJ-AWEZNQCLSA-N 1 3 261.369 0.933 10 0 CCAEHO O[C@]1(CNC2CC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC000422972815 389513619 /nfs/dbraw/zinc/51/36/19/389513619.db2.gz AKTAMLSTNVPJKO-KRWDZBQOSA-N 1 3 289.423 0.965 10 0 CCAEHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336391068 389635185 /nfs/dbraw/zinc/63/51/85/389635185.db2.gz RPDWCGNSYPKLPG-GXTWGEPZSA-N 1 3 278.400 0.713 10 0 CCAEHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336391068 389635187 /nfs/dbraw/zinc/63/51/87/389635187.db2.gz RPDWCGNSYPKLPG-GXTWGEPZSA-N 1 3 278.400 0.713 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649328384 390586395 /nfs/dbraw/zinc/58/63/95/390586395.db2.gz UYPIRBNIXNSZGH-HIFRSBDPSA-N 1 3 283.416 0.698 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649277319 390546067 /nfs/dbraw/zinc/54/60/67/390546067.db2.gz UUJUQYWDBGHOEK-JSGCOSHPSA-N 1 3 269.389 0.356 10 0 CCAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649347905 390600750 /nfs/dbraw/zinc/60/07/50/390600750.db2.gz NFJHULVWLQPLIB-MCIONIFRSA-N 1 3 281.400 0.308 10 0 CCAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649347906 390600773 /nfs/dbraw/zinc/60/07/73/390600773.db2.gz NFJHULVWLQPLIB-MJBXVCDLSA-N 1 3 281.400 0.308 10 0 CCAEHO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000653118423 412228146 /nfs/dbraw/zinc/22/81/46/412228146.db2.gz LJLVDBOIBKQISU-HBNTYKKESA-N 1 3 291.317 0.691 10 0 CCAEHO O=C([C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCCNCC1 ZINC000035738358 172391346 /nfs/dbraw/zinc/39/13/46/172391346.db2.gz UXDXWLQKXJAGDT-FRRDWIJNSA-N 1 3 251.374 0.729 10 0 CCAEHO CC(C)N1CCN(C2CCN(CC[NH3+])CC2)CC1 ZINC000725273934 545889535 /nfs/dbraw/zinc/88/95/35/545889535.db2.gz WLMFBCNIRUFPDH-UHFFFAOYSA-N 1 3 254.422 0.436 10 0 CCAEHO CC1CC[NH+](CCN2CCO[C@@H](CN(C)C)C2)CC1 ZINC000153843794 278541606 /nfs/dbraw/zinc/54/16/06/278541606.db2.gz HXCQKAQOJPYQSX-HNNXBMFYSA-N 1 3 269.433 0.981 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CSCCN3)C[C@@H]12 ZINC000248638988 295320129 /nfs/dbraw/zinc/32/01/29/295320129.db2.gz QXDLYECIZLSDCA-DDHJBXDOSA-N 1 3 269.414 0.277 10 0 CCAEHO C(CN1CCOCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565572 518389565 /nfs/dbraw/zinc/38/95/65/518389565.db2.gz XSAKMFOJTBOYMU-KBPBESRZSA-N 1 3 253.390 0.535 10 0 CCAEHO C(CN1CCOCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049565572 518389572 /nfs/dbraw/zinc/38/95/72/518389572.db2.gz XSAKMFOJTBOYMU-KBPBESRZSA-N 1 3 253.390 0.535 10 0 CCAEHO CCCNCc1cn(CCOCCC[NH+](C)C)nn1 ZINC000052672483 519961882 /nfs/dbraw/zinc/96/18/82/519961882.db2.gz FIGGKJCMGIUPBR-UHFFFAOYSA-N 1 3 269.393 0.746 10 0 CCAEHO CC(C)[NH2+]CCCN1CCN(CCN(C)C)CC1 ZINC000061644422 519720453 /nfs/dbraw/zinc/72/04/53/519720453.db2.gz ITBUHTUBSJASKM-UHFFFAOYSA-N 1 3 256.438 0.554 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630793 520687380 /nfs/dbraw/zinc/68/73/80/520687380.db2.gz NJDODAZAHWFMOF-GFCCVEGCSA-N 1 3 277.434 0.390 10 0 CCAEHO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H]1[NH3+] ZINC000055136302 524347691 /nfs/dbraw/zinc/34/76/91/524347691.db2.gz RIPAFWCVBDTQQN-FVCCEPFGSA-N 1 3 253.390 0.960 10 0 CCAEHO C[C@@H](CN1CCOCC1)NCCC[NH+]1CCCC1 ZINC000049504532 524629012 /nfs/dbraw/zinc/62/90/12/524629012.db2.gz KQTITWARUSLFJG-AWEZNQCLSA-N 1 3 255.406 0.783 10 0 CCAEHO C[C@@H](CN1CCOCC1)[NH2+]CCCN1CCCC1 ZINC000049504532 524629025 /nfs/dbraw/zinc/62/90/25/524629025.db2.gz KQTITWARUSLFJG-AWEZNQCLSA-N 1 3 255.406 0.783 10 0 CCAEHO CCC(CC)[C@H](CNC(=O)[C@@H]1C[C@H](O)CN1)[NH+]1CCCC1 ZINC000262424896 535144741 /nfs/dbraw/zinc/14/47/41/535144741.db2.gz RADLMWUITLMJAJ-KKUMJFAQSA-N 1 3 297.443 0.726 10 0 CCAEHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262075429 536024848 /nfs/dbraw/zinc/02/48/48/536024848.db2.gz CADNZXYDKYNDNS-KBPBESRZSA-N 1 3 277.368 0.058 10 0 CCAEHO CC(C)[C@H](N)C(=O)N1CC[C@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095087999 349590223 /nfs/dbraw/zinc/59/02/23/349590223.db2.gz YCWLULSIZCNEPM-OBJOEFQTSA-N 1 3 253.390 0.947 10 0 CCAEHO C[C@H](O)CN1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000245629720 290113640 /nfs/dbraw/zinc/11/36/40/290113640.db2.gz PTFOEAUUNXVBKC-QLFBSQMISA-N 1 3 269.433 0.858 10 0 CCAEHO C[C@H](O)CN1CCN(CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000245629720 290113645 /nfs/dbraw/zinc/11/36/45/290113645.db2.gz PTFOEAUUNXVBKC-QLFBSQMISA-N 1 3 269.433 0.858 10 0 CCAEHO C[NH+]1CCC(CCNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188743363 351624985 /nfs/dbraw/zinc/62/49/85/351624985.db2.gz BAWZQYXJYCCCEK-NWDGAFQWSA-N 1 3 257.353 0.535 10 0 CCAEHO CC(=O)N(CCN1CCCC1)CC1CC[NH2+]CC1 ZINC000221545769 351978618 /nfs/dbraw/zinc/97/86/18/351978618.db2.gz JSJOCOAYEHWKMY-UHFFFAOYSA-N 1 3 253.390 0.930 10 0 CCAEHO N[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000335063397 354954682 /nfs/dbraw/zinc/95/46/82/354954682.db2.gz URJZOILWDUFMIM-QWHCGFSZSA-N 1 3 259.353 0.903 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)CN(C)CCOC ZINC000380790169 357706889 /nfs/dbraw/zinc/70/68/89/357706889.db2.gz IBOCGHJXEMANHJ-HUUCEWRRSA-N 1 3 287.448 0.342 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C[C@H](O)CN(C)CCOC ZINC000380790169 357706891 /nfs/dbraw/zinc/70/68/91/357706891.db2.gz IBOCGHJXEMANHJ-HUUCEWRRSA-N 1 3 287.448 0.342 10 0 CCAEHO CN1CCN([C@@H]2CCC[C@H]2N2CC[NH2+]CC2)CC1 ZINC000409438006 358112859 /nfs/dbraw/zinc/11/28/59/358112859.db2.gz BRBJHMCMJMZUBK-ZIAGYGMSSA-N 1 3 252.406 0.060 10 0 CCAEHO O=C([C@@H]1CCCN1C1CC[NH2+]CC1)N1CCCNCC1 ZINC000038043156 296017778 /nfs/dbraw/zinc/01/77/78/296017778.db2.gz FAVKOZORHLUUMS-AWEZNQCLSA-N 1 3 280.416 0.025 10 0 CCAEHO CO[C@@H]1CN(C(=O)C2CCN(C)CC2)[C@](C)(C[NH3+])C1 ZINC000630369400 370070163 /nfs/dbraw/zinc/07/01/63/370070163.db2.gz AWFVTNLDTQCHOW-JSGCOSHPSA-N 1 3 269.389 0.293 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638079032 374638068 /nfs/dbraw/zinc/63/80/68/374638068.db2.gz JQJHAKMPEZTXBM-TZMCWYRMSA-N 1 3 269.389 0.342 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000335286178 285266925 /nfs/dbraw/zinc/26/69/25/285266925.db2.gz WNSZCEPBQCZODR-ZFWWWQNUSA-N 1 3 280.416 0.866 10 0 CCAEHO CC(C)N1CCC[C@@H](N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1=O ZINC000193638753 389075862 /nfs/dbraw/zinc/07/58/62/389075862.db2.gz NLLDICXHHHDAMP-HZSPNIEDSA-N 1 3 265.401 0.879 10 0 CCAEHO CC(C)N1CCC[C@@H](N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1=O ZINC000193638753 389075865 /nfs/dbraw/zinc/07/58/65/389075865.db2.gz NLLDICXHHHDAMP-HZSPNIEDSA-N 1 3 265.401 0.879 10 0 CCAEHO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000310909010 389099665 /nfs/dbraw/zinc/09/96/65/389099665.db2.gz DQJPBHDBANPTAY-STQMWFEESA-N 1 3 253.390 0.912 10 0 CCAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(N)CCCC1 ZINC000251823582 389263385 /nfs/dbraw/zinc/26/33/85/389263385.db2.gz PCFYPMWVUGBZBJ-RYUDHWBXSA-N 1 3 251.374 0.953 10 0 CCAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(N)CCCC1 ZINC000251823582 389263388 /nfs/dbraw/zinc/26/33/88/389263388.db2.gz PCFYPMWVUGBZBJ-RYUDHWBXSA-N 1 3 251.374 0.953 10 0 CCAEHO OC1(CN[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000397489646 389778866 /nfs/dbraw/zinc/77/88/66/389778866.db2.gz HFZWBJKUFLBBKF-INIZCTEOSA-N 1 3 289.423 0.965 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649328336 390585823 /nfs/dbraw/zinc/58/58/23/390585823.db2.gz PLWBZLPMYATRAQ-OLZOCXBDSA-N 1 3 269.389 0.165 10 0 CCAEHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643774213 390539933 /nfs/dbraw/zinc/53/99/33/390539933.db2.gz QJHARSKXLLOKKO-CYBMUJFWSA-N 1 3 271.405 0.269 10 0 CCAEHO COCCC1(C(=O)NC2CCN(C)CC2)CC[NH2+]CC1 ZINC000649277580 390545696 /nfs/dbraw/zinc/54/56/96/390545696.db2.gz GSMQKIVLTYZJCS-UHFFFAOYSA-N 1 3 283.416 0.603 10 0 CCAEHO CCN1CCC(NC(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000649279091 390546318 /nfs/dbraw/zinc/54/63/18/390546318.db2.gz VNXKKYQZZBIPAT-CQSZACIVSA-N 1 3 269.389 0.356 10 0 CCAEHO COC[C@]1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000649299063 390558512 /nfs/dbraw/zinc/55/85/12/390558512.db2.gz WTVRGBVAFFVIJB-HIFRSBDPSA-N 1 3 283.416 0.555 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649335292 390591487 /nfs/dbraw/zinc/59/14/87/390591487.db2.gz QIKBVGDJHMDERL-GRYCIOLGSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1NCC1(C)C ZINC000649335292 390591490 /nfs/dbraw/zinc/59/14/90/390591490.db2.gz QIKBVGDJHMDERL-GRYCIOLGSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1NCC1(C)C ZINC000649335292 390591492 /nfs/dbraw/zinc/59/14/92/390591492.db2.gz QIKBVGDJHMDERL-GRYCIOLGSA-N 1 3 251.374 0.680 10 0 CCAEHO COC[C@]1(C(=O)N2CCC[C@H](N(C)C)C2)CCC[NH2+]1 ZINC000649318377 390576404 /nfs/dbraw/zinc/57/64/04/390576404.db2.gz CRDATDGRWYHBMQ-JSGCOSHPSA-N 1 3 269.389 0.308 10 0 CCAEHO CN1C[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000657695932 413050078 /nfs/dbraw/zinc/05/00/78/413050078.db2.gz QKAVVIUAXIDRMD-RWMBFGLXSA-N 1 3 251.374 0.681 10 0 CCAEHO CN1C[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000657695932 413050083 /nfs/dbraw/zinc/05/00/83/413050083.db2.gz QKAVVIUAXIDRMD-RWMBFGLXSA-N 1 3 251.374 0.681 10 0 CCAEHO CN1C[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1=O ZINC000657695932 413050085 /nfs/dbraw/zinc/05/00/85/413050085.db2.gz QKAVVIUAXIDRMD-RWMBFGLXSA-N 1 3 251.374 0.681 10 0 CCAEHO CN(C)C[C@@H](NC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000040809293 397393941 /nfs/dbraw/zinc/39/39/41/397393941.db2.gz RQKVYMMZRRQQJB-OAHLLOKOSA-N 1 3 290.411 0.311 10 0 CCAEHO O=C(N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21)C1C[NH2+]C1 ZINC000368168815 144210183 /nfs/dbraw/zinc/21/01/83/144210183.db2.gz TVZOYZFXGMYWGC-FICVDOATSA-N 1 3 271.364 0.452 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662618416 414733174 /nfs/dbraw/zinc/73/31/74/414733174.db2.gz BICUHOSJGFKIIW-IJLUTSLNSA-N 1 3 253.390 0.831 10 0 CCAEHO C[C@H](CC[NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258205 545880141 /nfs/dbraw/zinc/88/01/41/545880141.db2.gz KPAAFXNKRANVBK-SECBINFHSA-N 1 3 251.334 0.341 10 0 CCAEHO CCC[C@](C)(N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258136 545880062 /nfs/dbraw/zinc/88/00/62/545880062.db2.gz HUWKLDCSTLHESN-LBPRGKRZSA-N 1 3 251.334 0.483 10 0 CCAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2(N)CCCC2)CC1 ZINC000179857239 544753017 /nfs/dbraw/zinc/75/30/17/544753017.db2.gz SHHQCSXXSQENRU-ZDUSSCGKSA-N 1 3 297.443 0.809 10 0 CCAEHO CN(C)CCOCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000234261936 544868276 /nfs/dbraw/zinc/86/82/76/544868276.db2.gz XAIJJJIFLQGTCZ-LBPRGKRZSA-N 1 3 257.378 0.071 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCNCC1 ZINC000251086027 544925536 /nfs/dbraw/zinc/92/55/36/544925536.db2.gz XOYBFKTTXAPBGL-KGLIPLIRSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCNCC1 ZINC000251086027 544925541 /nfs/dbraw/zinc/92/55/41/544925541.db2.gz XOYBFKTTXAPBGL-KGLIPLIRSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000261572156 279322190 /nfs/dbraw/zinc/32/21/90/279322190.db2.gz LMKOEWPQDJDYPD-UHFFFAOYSA-N 1 3 253.390 0.929 10 0 CCAEHO CC1(C)CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[C@H]1[NH3+] ZINC000334920396 281180069 /nfs/dbraw/zinc/18/00/69/281180069.db2.gz DWZVFXVNQVWFCZ-DGCLKSJQSA-N 1 3 280.416 0.992 10 0 CCAEHO C(CN1CC[C@@H]2OCCN[C@H]2C1)C[NH+]1CCCCC1 ZINC000577759388 335397977 /nfs/dbraw/zinc/39/79/77/335397977.db2.gz DPEHQYFYFFHDAV-GJZGRUSLSA-N 1 3 267.417 0.925 10 0 CCAEHO CCCNCc1cn(CC[N@H+](C)[C@@H](C)COC)nn1 ZINC000052511684 519961930 /nfs/dbraw/zinc/96/19/30/519961930.db2.gz OSCBAGZYYJDOPY-LBPRGKRZSA-N 1 3 269.393 0.744 10 0 CCAEHO CCCNCc1cn(CC[N@@H+](C)[C@@H](C)COC)nn1 ZINC000052511684 519961938 /nfs/dbraw/zinc/96/19/38/519961938.db2.gz OSCBAGZYYJDOPY-LBPRGKRZSA-N 1 3 269.393 0.744 10 0 CCAEHO CC(C)N[C@@H](CC[N@H+](C)C1CCN(C)CC1)C(N)=O ZINC000062443204 519734486 /nfs/dbraw/zinc/73/44/86/519734486.db2.gz FJHHYUKRFAHDCJ-ZDUSSCGKSA-N 1 3 270.421 0.254 10 0 CCAEHO CC(C)N[C@@H](CC[N@@H+](C)C1CCN(C)CC1)C(N)=O ZINC000062443204 519734488 /nfs/dbraw/zinc/73/44/88/519734488.db2.gz FJHHYUKRFAHDCJ-ZDUSSCGKSA-N 1 3 270.421 0.254 10 0 CCAEHO CC[NH2+][C@H](CC)CN1CCN(CCN(C)C)CC1 ZINC000061643798 520183862 /nfs/dbraw/zinc/18/38/62/520183862.db2.gz QCYHLOCSCKZBKL-CQSZACIVSA-N 1 3 256.438 0.554 10 0 CCAEHO CC[C@@H](C)N1CCN([C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000055065859 522128188 /nfs/dbraw/zinc/12/81/88/522128188.db2.gz OPDWEMCZYDXKPZ-HZSPNIEDSA-N 1 3 255.406 0.779 10 0 CCAEHO CC[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(C)CC1 ZINC000616569678 545103091 /nfs/dbraw/zinc/10/30/91/545103091.db2.gz JLPYBCSNTVCVCM-WCQYABFASA-N 1 3 253.390 0.833 10 0 CCAEHO C[C@@H](CC[NH2+]C1CC1)N1CCN(CCN(C)C)CC1 ZINC000061655026 524499065 /nfs/dbraw/zinc/49/90/65/524499065.db2.gz XSQCUKRJEWNHMO-AWEZNQCLSA-N 1 3 268.449 0.696 10 0 CCAEHO C[C@H]1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)CC[C@@H]1[NH3+] ZINC000055136283 524869663 /nfs/dbraw/zinc/86/96/63/524869663.db2.gz WCENWYOSIQNWPH-LOWDOPEQSA-N 1 3 253.390 0.960 10 0 CCAEHO [NH3+]CCCN1CCN(CCCn2ccnc2)CC1 ZINC000049327450 527179920 /nfs/dbraw/zinc/17/99/20/527179920.db2.gz VZDIDIPOOATZMP-UHFFFAOYSA-N 1 3 251.378 0.240 10 0 CCAEHO COCCN1CCN([C@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675052868 545320346 /nfs/dbraw/zinc/32/03/46/545320346.db2.gz BIRLEOIMWGMBTR-KGLIPLIRSA-N 1 3 255.406 0.768 10 0 CCAEHO CN(C)CCc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000096884481 185120444 /nfs/dbraw/zinc/12/04/44/185120444.db2.gz NSVIBAMHOZNGDU-SECBINFHSA-N 1 3 256.375 0.421 10 0 CCAEHO C[C@@H](Cc1nc([C@@H]2CNCCN2C)no1)C1CC[NH2+]CC1 ZINC000263312598 137064038 /nfs/dbraw/zinc/06/40/38/137064038.db2.gz YZHNUPAWHRYPIQ-AAEUAGOBSA-N 1 3 293.415 0.824 10 0 CCAEHO C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCC[NH2+]1 ZINC000136206533 350419146 /nfs/dbraw/zinc/41/91/46/350419146.db2.gz HHABURYOWDPAAR-UMVBOHGHSA-N 1 3 281.400 0.498 10 0 CCAEHO CC(C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)S(C)(=O)=O ZINC000186487417 351498610 /nfs/dbraw/zinc/49/86/10/351498610.db2.gz DRSPXDQKWBBLFD-VHSXEESVSA-N 1 3 274.386 0.163 10 0 CCAEHO O=C(NCCC[NH+]1CCCCC1)[C@H]1C[C@H](F)CN1 ZINC000188699033 351618220 /nfs/dbraw/zinc/61/82/20/351618220.db2.gz HYIFWNFGAWAHBJ-NWDGAFQWSA-N 1 3 257.353 0.679 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000251633810 352510733 /nfs/dbraw/zinc/51/07/33/352510733.db2.gz FNUQPIUVJCKFIF-MBNYWOFBSA-N 1 3 251.374 0.824 10 0 CCAEHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000335037019 354943907 /nfs/dbraw/zinc/94/39/07/354943907.db2.gz ZMLVXCUGBUMZNL-ZIAGYGMSSA-N 1 3 265.401 0.927 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000333658656 283068273 /nfs/dbraw/zinc/06/82/73/283068273.db2.gz LEMSJNUYKULFTM-XJFOESAGSA-N 1 3 280.416 0.992 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)[C@H]2C1 ZINC000333658652 283068367 /nfs/dbraw/zinc/06/83/67/283068367.db2.gz LEMSJNUYKULFTM-RQJABVFESA-N 1 3 280.416 0.992 10 0 CCAEHO [NH3+]CCN1CCNC[C@H]1c1ccc2ccnnc2c1 ZINC000616635783 365396036 /nfs/dbraw/zinc/39/60/36/365396036.db2.gz MNVBHVWFFZDHEP-AWEZNQCLSA-N 1 3 257.341 0.535 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000333399242 205287382 /nfs/dbraw/zinc/28/73/82/205287382.db2.gz PSKCIDBPVRXEMO-UTUOFQBUSA-N 1 3 266.389 0.520 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638079026 374636817 /nfs/dbraw/zinc/63/68/17/374636817.db2.gz JQJHAKMPEZTXBM-GXTWGEPZSA-N 1 3 269.389 0.342 10 0 CCAEHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C1 ZINC000638115838 374683335 /nfs/dbraw/zinc/68/33/35/374683335.db2.gz JPKFNDHOIYYTRK-ABHRYQDASA-N 1 3 281.400 0.449 10 0 CCAEHO O=C(C[C@@H]1CSCCN1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186517595 388838386 /nfs/dbraw/zinc/83/83/86/388838386.db2.gz RQFJIFMMEUVQKJ-VXGBXAGGSA-N 1 3 283.441 0.825 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000648153783 390315762 /nfs/dbraw/zinc/31/57/62/390315762.db2.gz NIOXRUGKFDDELQ-WCQYABFASA-N 1 3 251.374 0.668 10 0 CCAEHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649293788 390554267 /nfs/dbraw/zinc/55/42/67/390554267.db2.gz ISNSPBUONSHPCD-STQMWFEESA-N 1 3 269.389 0.213 10 0 CCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649298965 390559160 /nfs/dbraw/zinc/55/91/60/390559160.db2.gz OMDSBMIEGTUKHQ-QWHCGFSZSA-N 1 3 271.405 0.315 10 0 CCAEHO COC[C@]1(C(=O)N2C[C@H]3CCCN3C[C@H]2C)CCC[NH2+]1 ZINC000649335218 390591144 /nfs/dbraw/zinc/59/11/44/390591144.db2.gz LYZFSLHVPYGLKJ-NFAWXSAZSA-N 1 3 281.400 0.450 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOC[C@H]3CCCO3)C[C@H]12 ZINC000567270825 390685794 /nfs/dbraw/zinc/68/57/94/390685794.db2.gz PZRFSMPSUOAFOO-YIYPIFLZSA-N 1 3 254.374 0.851 10 0 CCAEHO COCCCN(C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000181010065 292337930 /nfs/dbraw/zinc/33/79/30/292337930.db2.gz OUAZCVKAGRUESD-CQSZACIVSA-N 1 3 271.405 0.603 10 0 CCAEHO C[NH+](C)C1CCN(C(=O)C(C)(C)N2CCNCC2)CC1 ZINC000129609397 411720818 /nfs/dbraw/zinc/72/08/18/411720818.db2.gz NDOCPRHZFSIELW-UHFFFAOYSA-N 1 3 282.432 0.223 10 0 CCAEHO CC[C@H]1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000616570131 411841070 /nfs/dbraw/zinc/84/10/70/411841070.db2.gz MAPPONXIJLKBCH-AAEUAGOBSA-N 1 3 253.390 0.914 10 0 CCAEHO CN1[C@@H]2CC[C@H]1CC([NH2+]CCN1CCOCC1)C2 ZINC000020523918 171236568 /nfs/dbraw/zinc/23/65/68/171236568.db2.gz AAXMHEUZQQGHBU-AGUYFDCRSA-N 1 3 253.390 0.533 10 0 CCAEHO C[C@@H](CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N(C)C ZINC000038089270 174102291 /nfs/dbraw/zinc/10/22/91/174102291.db2.gz OCLYQKMKVGAJDK-ZDEQEGDKSA-N 1 3 253.390 0.973 10 0 CCAEHO CCC(N)(CC)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258752 545882335 /nfs/dbraw/zinc/88/23/35/545882335.db2.gz ZCWGRMUDMOKRLZ-UHFFFAOYSA-N 1 3 251.334 0.483 10 0 CCAEHO CN(C)CCOCCNC(=O)C1CCC([NH3+])CC1 ZINC000234259489 544868062 /nfs/dbraw/zinc/86/80/62/544868062.db2.gz HTJRMVSJCHGWAR-UHFFFAOYSA-N 1 3 257.378 0.198 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333366379 545039390 /nfs/dbraw/zinc/03/93/90/545039390.db2.gz LVCYTKOLOGNHCW-NQBHXWOUSA-N 1 3 266.389 0.378 10 0 CCAEHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000175979501 280322249 /nfs/dbraw/zinc/32/22/49/280322249.db2.gz SGGIQISNAMMYAP-CABCVRRESA-N 1 3 297.443 0.942 10 0 CCAEHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699990 300233722 /nfs/dbraw/zinc/23/37/22/300233722.db2.gz FKOQLQPBKQNJTR-UNJBNNCHSA-N 1 3 265.401 0.960 10 0 CCAEHO CCC(CC)[C@@H](CNC(=O)[C@@H](N)CCOC)[NH+](C)C ZINC000052809793 521605352 /nfs/dbraw/zinc/60/53/52/521605352.db2.gz PARSDINHDHKNJQ-QWHCGFSZSA-N 1 3 273.421 0.833 10 0 CCAEHO CN(C)CCN1CCN(CC2([NH3+])CCCC2)CC1 ZINC000061652516 521764832 /nfs/dbraw/zinc/76/48/32/521764832.db2.gz CTZUCSGLODNIIE-UHFFFAOYSA-N 1 3 254.422 0.437 10 0 CCAEHO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)CCNC ZINC000049629970 520637730 /nfs/dbraw/zinc/63/77/30/520637730.db2.gz ZXIDFZBTUPMLOK-LBPRGKRZSA-N 1 3 279.450 0.636 10 0 CCAEHO CCC[C@@](C)([NH3+])CN1CCN(CCN(C)C)CC1 ZINC000061652511 520921605 /nfs/dbraw/zinc/92/16/05/520921605.db2.gz NLIKGNGAYSWRKC-CQSZACIVSA-N 1 3 256.438 0.683 10 0 CCAEHO CN(C)CCN1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000061643187 521766692 /nfs/dbraw/zinc/76/66/92/521766692.db2.gz RBTSDZLGRPPXAD-CYBMUJFWSA-N 1 3 272.462 0.000 10 0 CCAEHO CN(CC[NH2+]C1CCOCC1)C1CCN(C)CC1 ZINC000062767608 522865087 /nfs/dbraw/zinc/86/50/87/522865087.db2.gz CYEGSXJWPMFYTK-UHFFFAOYSA-N 1 3 255.406 0.781 10 0 CCAEHO CN1CCC[C@H]([N@H+](C)CC[C@H](NC2CC2)C(N)=O)C1 ZINC000062531732 522935500 /nfs/dbraw/zinc/93/55/00/522935500.db2.gz ICBSOEVMMSZYCH-STQMWFEESA-N 1 3 268.405 0.008 10 0 CCAEHO CN1CCC[C@H]([N@@H+](C)CC[C@H](NC2CC2)C(N)=O)C1 ZINC000062531732 522935506 /nfs/dbraw/zinc/93/55/06/522935506.db2.gz ICBSOEVMMSZYCH-STQMWFEESA-N 1 3 268.405 0.008 10 0 CCAEHO COCC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052809694 623065139 /nfs/dbraw/zinc/06/51/39/623065139.db2.gz OLFCJOZQIMTSGP-ZIAGYGMSSA-N 1 3 279.384 0.769 10 0 CCAEHO C[C@@H](C(=O)NC[C@]1(N(C)C)CCSC1)C1C[NH2+]C1 ZINC000262469188 137043980 /nfs/dbraw/zinc/04/39/80/137043980.db2.gz YDSSFXSUSZAFHJ-ZWNOBZJWSA-N 1 3 271.430 0.395 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291534 348548016 /nfs/dbraw/zinc/54/80/16/348548016.db2.gz CPRXTYZRPPWGKS-QWHCGFSZSA-N 1 3 253.390 0.977 10 0 CCAEHO CN1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000257178499 352548159 /nfs/dbraw/zinc/54/81/59/352548159.db2.gz GMFJNDABOBWLSJ-LSDHHAIUSA-N 1 3 288.395 0.595 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CCN1C ZINC000333423796 354758509 /nfs/dbraw/zinc/75/85/09/354758509.db2.gz SXFHTUWEOIXUQK-UPJWGTAASA-N 1 3 268.405 0.910 10 0 CCAEHO [NH3+]CCN1CCN[C@@H](c2cccc3nnccc32)C1 ZINC000616601905 365381334 /nfs/dbraw/zinc/38/13/34/365381334.db2.gz JIFBKAOEKDGELR-CQSZACIVSA-N 1 3 257.341 0.535 10 0 CCAEHO CC1CCN(CC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000136110510 284884475 /nfs/dbraw/zinc/88/44/75/284884475.db2.gz GTKGLXOONAUHCD-ZDUSSCGKSA-N 1 3 253.390 0.881 10 0 CCAEHO O=C(NC1C[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000335284585 208099367 /nfs/dbraw/zinc/09/93/67/208099367.db2.gz FQSRXCAZESHXLB-UHFFFAOYSA-N 1 3 266.389 0.618 10 0 CCAEHO O=C([C@H]1CCC[NH2+]C1)N1CC[C@H](N2CCCC2)C1 ZINC000062973028 388940866 /nfs/dbraw/zinc/94/08/66/388940866.db2.gz UIJUINRWHQBTRJ-STQMWFEESA-N 1 3 251.374 0.683 10 0 CCAEHO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CN2CCC1CC2 ZINC000311795628 389105204 /nfs/dbraw/zinc/10/52/04/389105204.db2.gz YYUDYFSGNGDNHX-JSGCOSHPSA-N 1 3 265.401 0.929 10 0 CCAEHO C[NH+](C)CCC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111684875 389111957 /nfs/dbraw/zinc/11/19/57/389111957.db2.gz UFSOXMRLMGHPOY-HNNXBMFYSA-N 1 3 297.443 0.633 10 0 CCAEHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000219944792 389138303 /nfs/dbraw/zinc/13/83/03/389138303.db2.gz OQGXWJATPHHLKJ-VXGBXAGGSA-N 1 3 253.390 0.975 10 0 CCAEHO [NH3+]C1CCC(C(=O)N2CCN3CCC2CC3)CC1 ZINC000648153834 390315201 /nfs/dbraw/zinc/31/52/01/390315201.db2.gz WJKORAJNKNKRQA-UHFFFAOYSA-N 1 3 251.374 0.811 10 0 CCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649298966 390558682 /nfs/dbraw/zinc/55/86/82/390558682.db2.gz OMDSBMIEGTUKHQ-STQMWFEESA-N 1 3 271.405 0.315 10 0 CCAEHO CN(CCNC(=O)[C@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649305898 390564801 /nfs/dbraw/zinc/56/48/01/390564801.db2.gz LGAWLXREPHLEGL-HNNXBMFYSA-N 1 3 291.395 0.471 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000384255341 397495441 /nfs/dbraw/zinc/49/54/41/397495441.db2.gz OCNAAEWJWOQQSN-UONOGXRCSA-N 1 3 282.432 0.128 10 0 CCAEHO C[NH+](C)CCCNS(=O)(=O)c1ccccc1CN ZINC000022210646 171373647 /nfs/dbraw/zinc/37/36/47/171373647.db2.gz ZSRAPDJZVXCLHG-UHFFFAOYSA-N 1 3 271.386 0.375 10 0 CCAEHO NCc1ccccc1NC(=O)CC[NH+]1CCC(O)CC1 ZINC000022214563 171374992 /nfs/dbraw/zinc/37/49/92/171374992.db2.gz IGVIGPLAXFBHKV-UHFFFAOYSA-N 1 3 277.368 0.931 10 0 CCAEHO C[C@H](CCNC(=O)C(C)(C)N1CCNCC1)[NH+](C)C ZINC000662635547 414735801 /nfs/dbraw/zinc/73/58/01/414735801.db2.gz WPOCPLAQEWVHOZ-GFCCVEGCSA-N 1 3 270.421 0.127 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CNCCOC2)C1 ZINC000662845078 414836100 /nfs/dbraw/zinc/83/61/00/414836100.db2.gz DGUBDCPMYZFZPQ-STQMWFEESA-N 1 3 283.416 0.459 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CNCCOC2)C1 ZINC000662845078 414836104 /nfs/dbraw/zinc/83/61/04/414836104.db2.gz DGUBDCPMYZFZPQ-STQMWFEESA-N 1 3 283.416 0.459 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000662911051 414886276 /nfs/dbraw/zinc/88/62/76/414886276.db2.gz QTSRXZURMTVLOG-TZMCWYRMSA-N 1 3 269.389 0.356 10 0 CCAEHO CCCN[C@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)C(N)=O ZINC000071191053 176067817 /nfs/dbraw/zinc/06/78/17/176067817.db2.gz QZHAEBNFEUBCNG-CHWSQXEVSA-N 1 3 270.421 0.114 10 0 CCAEHO CCCN[C@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)C(N)=O ZINC000071191053 176067818 /nfs/dbraw/zinc/06/78/18/176067818.db2.gz QZHAEBNFEUBCNG-CHWSQXEVSA-N 1 3 270.421 0.114 10 0 CCAEHO [NH3+]C[C@H](O)CN1CCN(CCC2=CCCCC2)CC1 ZINC000071599343 176224035 /nfs/dbraw/zinc/22/40/35/176224035.db2.gz MOMUFHKKWVKHJN-HNNXBMFYSA-N 1 3 267.417 0.814 10 0 CCAEHO C[NH2+]CCCCC(=O)Nc1ccnn1C1CNC1 ZINC000725260443 545881491 /nfs/dbraw/zinc/88/14/91/545881491.db2.gz SBYHCNOTODXKKS-UHFFFAOYSA-N 1 3 251.334 0.356 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000094647897 544544812 /nfs/dbraw/zinc/54/48/12/544544812.db2.gz GVQHRYJNGHIPSR-RWMBFGLXSA-N 1 3 253.390 0.833 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)NCCCN1CCN(C)CC1 ZINC000136426639 544639280 /nfs/dbraw/zinc/63/92/80/544639280.db2.gz BWZPBCUUHPXSFF-CYBMUJFWSA-N 1 3 270.421 0.114 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000252651277 544930364 /nfs/dbraw/zinc/93/03/64/544930364.db2.gz GVQHRYJNGHIPSR-XQQFMLRXSA-N 1 3 253.390 0.833 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC1CCC2(CCOCC2)CC1 ZINC000262188829 544942233 /nfs/dbraw/zinc/94/22/33/544942233.db2.gz YAQCJEWZHDVNJO-TZMCWYRMSA-N 1 3 268.401 0.896 10 0 CCAEHO O[C@@H]1CNC[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000262188829 544942237 /nfs/dbraw/zinc/94/22/37/544942237.db2.gz YAQCJEWZHDVNJO-TZMCWYRMSA-N 1 3 268.401 0.896 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000091393990 289294197 /nfs/dbraw/zinc/29/41/97/289294197.db2.gz DAAQIIHFTSLLLS-JHJVBQTASA-N 1 3 253.390 0.914 10 0 CCAEHO C[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCCN1 ZINC000334590180 300755631 /nfs/dbraw/zinc/75/56/31/300755631.db2.gz NCEDGBALGSKFPY-ZIAGYGMSSA-N 1 3 251.374 0.731 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NCCN(C)Cc2ccccc2)C1 ZINC000386825591 336180137 /nfs/dbraw/zinc/18/01/37/336180137.db2.gz UYOPJCQDDMVBMK-HUUCEWRRSA-N 1 3 291.395 0.612 10 0 CCAEHO CCO[C@H](C[NH3+])CCN(CC(N)=O)C1CCCC1 ZINC000062741122 520516189 /nfs/dbraw/zinc/51/61/89/520516189.db2.gz SBUGJZHEZSYNKV-LBPRGKRZSA-N 1 3 257.378 0.470 10 0 CCAEHO CC[C@](C)(C[NH3+])CN1CCN(CCN(C)C)CC1 ZINC000061653753 523460636 /nfs/dbraw/zinc/46/06/36/523460636.db2.gz ZCPOJCWPXBWACD-CQSZACIVSA-N 1 3 256.438 0.541 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](CN(C)C)C(C)C)C1 ZINC000049220430 523741817 /nfs/dbraw/zinc/74/18/17/523741817.db2.gz AHHNIUSFRAYLCQ-QJPTWQEYSA-N 1 3 257.378 0.066 10 0 CCAEHO C[C@@H](N)c1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655508 525033107 /nfs/dbraw/zinc/03/31/07/525033107.db2.gz MQBLCMAHNGOHIM-LLVKDONJSA-N 1 3 283.445 0.846 10 0 CCAEHO [NH3+]CCCCS(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000049568658 527177094 /nfs/dbraw/zinc/17/70/94/527177094.db2.gz KGCQMLFVEAEBFR-NEPJUHHUSA-N 1 3 275.418 0.272 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CCOC ZINC000220940902 615144180 /nfs/dbraw/zinc/14/41/80/615144180.db2.gz IJUBGNROTYQVFB-RYUDHWBXSA-N 1 3 257.378 0.293 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](N)CCOC ZINC000220940902 615144182 /nfs/dbraw/zinc/14/41/82/615144182.db2.gz IJUBGNROTYQVFB-RYUDHWBXSA-N 1 3 257.378 0.293 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000251638489 649813881 /nfs/dbraw/zinc/81/38/81/649813881.db2.gz FTYIJNCHQKDSJC-FRRDWIJNSA-N 1 3 287.429 0.237 10 0 CCAEHO CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)N(C)C ZINC000152088011 290663501 /nfs/dbraw/zinc/66/35/01/290663501.db2.gz ULZDXQRPVDZQSH-ZFWWWQNUSA-N 1 3 299.459 0.878 10 0 CCAEHO CC[NH+](CC)CCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117023306 349879730 /nfs/dbraw/zinc/87/97/30/349879730.db2.gz QSTXFJMFYCZRBN-ZDUSSCGKSA-N 1 3 286.420 0.300 10 0 CCAEHO C[C@H](C(=O)NCCN1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000262433350 137043518 /nfs/dbraw/zinc/04/35/18/137043518.db2.gz UCDFRCWOICXEBG-RYUDHWBXSA-N 1 3 253.390 0.833 10 0 CCAEHO CN(C)[C@]1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCSC1 ZINC000261878636 137023945 /nfs/dbraw/zinc/02/39/45/137023945.db2.gz YTYSFEHJDQSDSY-BZPMIXESSA-N 1 3 285.457 0.915 10 0 CCAEHO C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)CN1Cc1ccccc1 ZINC000262265934 137033637 /nfs/dbraw/zinc/03/36/37/137033637.db2.gz RZGIYODULLFFBF-WFASDCNBSA-N 1 3 273.380 0.985 10 0 CCAEHO CSCC[C@H](N)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942794 348673610 /nfs/dbraw/zinc/67/36/10/348673610.db2.gz YWQWYCKIMZDQJS-NEPJUHHUSA-N 1 3 271.430 0.764 10 0 CCAEHO CSCC[C@H](N)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942794 348673615 /nfs/dbraw/zinc/67/36/15/348673615.db2.gz YWQWYCKIMZDQJS-NEPJUHHUSA-N 1 3 271.430 0.764 10 0 CCAEHO CC[NH+](CC)CCCNC(=O)C(C)(C)N1CCNCC1 ZINC000129585403 350217422 /nfs/dbraw/zinc/21/74/22/350217422.db2.gz PLTKVYSZODKLMD-UHFFFAOYSA-N 1 3 284.448 0.518 10 0 CCAEHO CC(C)(C(=O)NCCC[NH+]1CCCC1)N1CCNCC1 ZINC000129600792 350217952 /nfs/dbraw/zinc/21/79/52/350217952.db2.gz MXSXDDVDXGWWST-UHFFFAOYSA-N 1 3 282.432 0.272 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CCN(C2CC2)C1)N1CC[NH2+]CC1 ZINC000129718584 350221418 /nfs/dbraw/zinc/22/14/18/350221418.db2.gz KFACAUUMOIGMPV-LBPRGKRZSA-N 1 3 280.416 0.023 10 0 CCAEHO CCCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862408 186080079 /nfs/dbraw/zinc/08/00/79/186080079.db2.gz AOCFWYLDKQYKIZ-KGLIPLIRSA-N 1 3 299.459 0.926 10 0 CCAEHO CC[N@H+](CCNC(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000171906517 350942539 /nfs/dbraw/zinc/94/25/39/350942539.db2.gz GGZLWAIMTJQABL-CQSZACIVSA-N 1 3 280.416 0.960 10 0 CCAEHO CC[N@@H+](CCNC(=O)N1CCN2CCC[C@@H]2C1)C1CC1 ZINC000171906517 350942545 /nfs/dbraw/zinc/94/25/45/350942545.db2.gz GGZLWAIMTJQABL-CQSZACIVSA-N 1 3 280.416 0.960 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188690140 351618147 /nfs/dbraw/zinc/61/81/47/351618147.db2.gz SRZREGDESXZWPX-SNVBAGLBSA-N 1 3 277.372 0.270 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188690140 351618150 /nfs/dbraw/zinc/61/81/50/351618150.db2.gz SRZREGDESXZWPX-SNVBAGLBSA-N 1 3 277.372 0.270 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000235284763 352181743 /nfs/dbraw/zinc/18/17/43/352181743.db2.gz YQXLFTHAWKXLNU-FVCCEPFGSA-N 1 3 251.374 0.537 10 0 CCAEHO C[C@@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000247111315 352400703 /nfs/dbraw/zinc/40/07/03/352400703.db2.gz QPTKIVSPBWRTBA-RDBSUJKOSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000247111315 352400706 /nfs/dbraw/zinc/40/07/06/352400706.db2.gz QPTKIVSPBWRTBA-RDBSUJKOSA-N 1 3 255.406 0.779 10 0 CCAEHO CC(C)(C)[C@@H](O)CNC[C@H](O)C[NH+]1CCCCC1 ZINC000324483757 354230826 /nfs/dbraw/zinc/23/08/26/354230826.db2.gz JPWNJZWTLSYFKX-STQMWFEESA-N 1 3 258.406 0.830 10 0 CCAEHO COCCN1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333914331 354815566 /nfs/dbraw/zinc/81/55/66/354815566.db2.gz FYGKPGDGWCJYAS-CQSZACIVSA-N 1 3 298.431 0.539 10 0 CCAEHO C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)N1CCC[C@@H](C)C1 ZINC000333948736 354819019 /nfs/dbraw/zinc/81/90/19/354819019.db2.gz WPIQAUGDOSWJCW-MQYQWHSLSA-N 1 3 298.431 0.081 10 0 CCAEHO C[C@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCN1C ZINC000634768524 372215879 /nfs/dbraw/zinc/21/58/79/372215879.db2.gz NQXMFZYDJYJKNO-ABHRYQDASA-N 1 3 265.401 0.975 10 0 CCAEHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H]([NH3+])C2)CCSC1 ZINC000333152957 205074276 /nfs/dbraw/zinc/07/42/76/205074276.db2.gz FLULDLKSORECCF-WCQYABFASA-N 1 3 286.445 0.556 10 0 CCAEHO C[C@@H]1CN(C(=O)NC[C@]2(N(C)C)CCSC2)C[C@@H]1[NH3+] ZINC000333441076 205324279 /nfs/dbraw/zinc/32/42/79/205324279.db2.gz WBVJGAGTCVCIJX-NTZNESFSSA-N 1 3 286.445 0.412 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@H]1CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000262153452 285331099 /nfs/dbraw/zinc/33/10/99/285331099.db2.gz RMYZJYXNVYFMLJ-FPMFFAJLSA-N 1 3 266.772 0.977 10 0 CCAEHO C[C@@H]1CN(C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@@H]1[NH3+] ZINC000333441074 389413231 /nfs/dbraw/zinc/41/32/31/389413231.db2.gz WBVJGAGTCVCIJX-MDZLAQPJSA-N 1 3 286.445 0.412 10 0 CCAEHO O[C@]1(CN[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000422980754 389516121 /nfs/dbraw/zinc/51/61/21/389516121.db2.gz QXLUGGHCXWXGBX-HOTGVXAUSA-N 1 3 275.396 0.575 10 0 CCAEHO O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000649322276 390579663 /nfs/dbraw/zinc/57/96/63/390579663.db2.gz KQOSDKVNIAZNSQ-ZIAGYGMSSA-N 1 3 281.400 0.309 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000384255339 397495408 /nfs/dbraw/zinc/49/54/08/397495408.db2.gz OCNAAEWJWOQQSN-KBPBESRZSA-N 1 3 282.432 0.128 10 0 CCAEHO [NH3+]CCC(=O)N1CCC(N2CCSCC2)CC1 ZINC000409431901 397524378 /nfs/dbraw/zinc/52/43/78/397524378.db2.gz UFYDHZOFWKDDBF-UHFFFAOYSA-N 1 3 257.403 0.375 10 0 CCAEHO CCN1CCN([C@@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC000020442253 171205187 /nfs/dbraw/zinc/20/51/87/171205187.db2.gz QYVAMLKOHSZNNO-AWEZNQCLSA-N 1 3 252.406 0.047 10 0 CCAEHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000038029428 174020311 /nfs/dbraw/zinc/02/03/11/174020311.db2.gz VLROOQNMOIXVFM-STQMWFEESA-N 1 3 253.390 0.977 10 0 CCAEHO CC(C)(C)[NH2+]CC(=O)Nc1ccnn1C1CNC1 ZINC000725258570 545882540 /nfs/dbraw/zinc/88/25/40/545882540.db2.gz SWRAHYBXXSPJRH-UHFFFAOYSA-N 1 3 251.334 0.354 10 0 CCAEHO CC(C)N1CCN([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264378 545885305 /nfs/dbraw/zinc/88/53/05/545885305.db2.gz JTSYLNQERZQSFV-ZIAGYGMSSA-N 1 3 267.417 0.909 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000094647899 544544964 /nfs/dbraw/zinc/54/49/64/544544964.db2.gz GVQHRYJNGHIPSR-AVGNSLFASA-N 1 3 253.390 0.833 10 0 CCAEHO CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458280 544515069 /nfs/dbraw/zinc/51/50/69/544515069.db2.gz PEEXCWIGFLXXDM-WCQYABFASA-N 1 3 253.390 0.962 10 0 CCAEHO O=C(C[C@@H]1CC[NH2+]C1)NCCN1CCCCCC1 ZINC000089746416 544516632 /nfs/dbraw/zinc/51/66/32/544516632.db2.gz HMGPVKBEGVKYSU-ZDUSSCGKSA-N 1 3 253.390 0.978 10 0 CCAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)COC1(C)CNC1 ZINC000098061671 544554714 /nfs/dbraw/zinc/55/47/14/544554714.db2.gz LWENFALHLMCVSO-LBPRGKRZSA-N 1 3 271.405 0.457 10 0 CCAEHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)N1CCCC1 ZINC000161226057 544705058 /nfs/dbraw/zinc/70/50/58/544705058.db2.gz KHQXOMREGJKQBB-FRRDWIJNSA-N 1 3 253.390 0.975 10 0 CCAEHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)N(C)C1 ZINC000333881910 545044016 /nfs/dbraw/zinc/04/40/16/545044016.db2.gz WIFNJDWYQJEZPB-ZOBORPQBSA-N 1 3 298.431 0.487 10 0 CCAEHO O=C(NC[C@@H]1CC[NH2+]C1)NC[C@H]1CCCCN1C1CC1 ZINC000333729417 545042469 /nfs/dbraw/zinc/04/24/69/545042469.db2.gz HQDUGFIEVSWYJK-TZMCWYRMSA-N 1 3 280.416 0.912 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175368496 279333187 /nfs/dbraw/zinc/33/31/87/279333187.db2.gz MNGCFSDJPUZGKM-UONOGXRCSA-N 1 3 298.431 0.443 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175368496 279333189 /nfs/dbraw/zinc/33/31/89/279333189.db2.gz MNGCFSDJPUZGKM-UONOGXRCSA-N 1 3 298.431 0.443 10 0 CCAEHO CC(C)[C@H](N)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000095087955 280272151 /nfs/dbraw/zinc/27/21/51/280272151.db2.gz NYIHPFDDJLVRDJ-LBPRGKRZSA-N 1 3 253.390 0.914 10 0 CCAEHO COC[C@H](NC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151350121 293153210 /nfs/dbraw/zinc/15/32/10/293153210.db2.gz HFTHFAARUYHEQW-KBPBESRZSA-N 1 3 256.390 0.848 10 0 CCAEHO OCCN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000384746802 545085386 /nfs/dbraw/zinc/08/53/86/545085386.db2.gz RPJOIMJRTZETOC-ILXRZTDVSA-N 1 3 267.417 0.660 10 0 CCAEHO OCCN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000384746802 545085387 /nfs/dbraw/zinc/08/53/87/545085387.db2.gz RPJOIMJRTZETOC-ILXRZTDVSA-N 1 3 267.417 0.660 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(N)CCCC1 ZINC000251823578 297097767 /nfs/dbraw/zinc/09/77/67/297097767.db2.gz PCFYPMWVUGBZBJ-NEPJUHHUSA-N 1 3 251.374 0.953 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(N)CCCC1 ZINC000251823578 297097768 /nfs/dbraw/zinc/09/77/68/297097768.db2.gz PCFYPMWVUGBZBJ-NEPJUHHUSA-N 1 3 251.374 0.953 10 0 CCAEHO C[C@@]1(C(=O)N[C@@H]2CNCCC2(F)F)CCCC[NH2+]1 ZINC000334655721 297872359 /nfs/dbraw/zinc/87/23/59/297872359.db2.gz SVVZOEDKLBLPLW-KOLCDFICSA-N 1 3 261.316 0.632 10 0 CCAEHO CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051116515 519793407 /nfs/dbraw/zinc/79/34/07/519793407.db2.gz JESJWDKXTFJQLQ-LLVKDONJSA-N 1 3 265.361 0.683 10 0 CCAEHO CCCN1CCC(NS(=O)(=O)CCC[NH3+])CC1 ZINC000049558375 519847100 /nfs/dbraw/zinc/84/71/00/519847100.db2.gz YJYHCCIAOMIMPA-UHFFFAOYSA-N 1 3 263.407 0.129 10 0 CCAEHO CCC[NH2+]C[C@H](C)CN1CCN(CCN(C)C)CC1 ZINC000061655001 519932408 /nfs/dbraw/zinc/93/24/08/519932408.db2.gz YLGYXNKREWZRFT-HNNXBMFYSA-N 1 3 270.465 0.801 10 0 CCAEHO CCOCCOC[C@@H](O)CN[C@H](C)CC[NH+](C)C ZINC000049557138 519996767 /nfs/dbraw/zinc/99/67/67/519996767.db2.gz SQSKLSCJRUOEKP-OLZOCXBDSA-N 1 3 262.394 0.330 10 0 CCAEHO COCC[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000052809696 623064064 /nfs/dbraw/zinc/06/40/64/623064064.db2.gz OLFCJOZQIMTSGP-UONOGXRCSA-N 1 3 279.384 0.769 10 0 CCAEHO COCCOCCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000311853683 623807191 /nfs/dbraw/zinc/80/71/91/623807191.db2.gz SXNCADBQCJWKRR-IHRRRGAJSA-N 1 3 272.389 0.335 10 0 CCAEHO CN(C)C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000161687379 282127828 /nfs/dbraw/zinc/12/78/28/282127828.db2.gz YBXSXQNMWFETMC-ZIAGYGMSSA-N 1 3 255.406 0.733 10 0 CCAEHO CN(C)C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000161687379 282127829 /nfs/dbraw/zinc/12/78/29/282127829.db2.gz YBXSXQNMWFETMC-ZIAGYGMSSA-N 1 3 255.406 0.733 10 0 CCAEHO CC[NH+](CC)CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117023302 349879189 /nfs/dbraw/zinc/87/91/89/349879189.db2.gz QSTXFJMFYCZRBN-CYBMUJFWSA-N 1 3 286.420 0.300 10 0 CCAEHO CN1CCC(O)(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000344120341 137178785 /nfs/dbraw/zinc/17/87/85/137178785.db2.gz ZLEMBLPWFCSYTI-YNEHKIRRSA-N 1 3 268.401 0.846 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)NCCN1CCCCC1 ZINC000054291744 348548180 /nfs/dbraw/zinc/54/81/80/348548180.db2.gz AOOSKYOLMXYLBF-ZDUSSCGKSA-N 1 3 253.390 0.978 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@]2(CC)CC[NH2+]C2)C1 ZINC000062898895 348672309 /nfs/dbraw/zinc/67/23/09/348672309.db2.gz JMYSRIUPPUGGLZ-GXTWGEPZSA-N 1 3 253.390 0.977 10 0 CCAEHO C[C@H](NCC1CC[NH+](CCO)CC1)c1nccn1C ZINC000178441301 351232019 /nfs/dbraw/zinc/23/20/19/351232019.db2.gz MPDFWQDHSYVRSB-LBPRGKRZSA-N 1 3 266.389 0.775 10 0 CCAEHO CC[NH+]1CCC(CCNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188769316 351626524 /nfs/dbraw/zinc/62/65/24/351626524.db2.gz OUDXOETXDKNHEO-QWHCGFSZSA-N 1 3 271.380 0.925 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000249392141 352490053 /nfs/dbraw/zinc/49/00/53/352490053.db2.gz GEQOSDHXRMKWCD-YVECIDJPSA-N 1 3 269.389 0.208 10 0 CCAEHO O=C(C[C@@H]1CNCCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328642935 354244521 /nfs/dbraw/zinc/24/45/21/354244521.db2.gz RFHLHXDOQOHCFQ-DGCLKSJQSA-N 1 3 267.373 0.108 10 0 CCAEHO CN1CCN([C@H]2CCC[C@H]2N2CC[NH2+]CC2)CC1 ZINC000409438004 358112600 /nfs/dbraw/zinc/11/26/00/358112600.db2.gz BRBJHMCMJMZUBK-KGLIPLIRSA-N 1 3 252.406 0.060 10 0 CCAEHO O=C(N1CCN2CCC[C@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767647 372215183 /nfs/dbraw/zinc/21/51/83/372215183.db2.gz FRRCRYDSENVYLQ-YDHLFZDLSA-N 1 3 263.385 0.683 10 0 CCAEHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]([NH3+])C2)CCSC1 ZINC000333152955 205075184 /nfs/dbraw/zinc/07/51/84/205075184.db2.gz FLULDLKSORECCF-AAEUAGOBSA-N 1 3 286.445 0.556 10 0 CCAEHO C[C@@H]1C[C@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)[C@@H](C)O1 ZINC000333462676 205340196 /nfs/dbraw/zinc/34/01/96/205340196.db2.gz GUURNUMZVMKQMA-FOGDFJRCSA-N 1 3 279.388 0.927 10 0 CCAEHO C[C@@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[n-]2)[C@@H](C)O1 ZINC000333462676 205340202 /nfs/dbraw/zinc/34/02/02/205340202.db2.gz GUURNUMZVMKQMA-FOGDFJRCSA-N 1 3 279.388 0.927 10 0 CCAEHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000638109914 374678542 /nfs/dbraw/zinc/67/85/42/374678542.db2.gz ZOAJIUIMCXPFAC-DYEKYZERSA-N 1 3 267.373 0.060 10 0 CCAEHO COC[C@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CCCCN1 ZINC000638276200 374878982 /nfs/dbraw/zinc/87/89/82/374878982.db2.gz RJYQGSVYNBJASP-OCCSQVGLSA-N 1 3 269.389 0.308 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CCC([NH3+])CC2)C1 ZINC000335285667 208101068 /nfs/dbraw/zinc/10/10/68/208101068.db2.gz QAIOSANUZVTJFO-GFCCVEGCSA-N 1 3 254.378 0.603 10 0 CCAEHO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CN2CCC1CC2 ZINC000311064683 389101194 /nfs/dbraw/zinc/10/11/94/389101194.db2.gz KQPVPGIIHLLBQA-AGIUHOORSA-N 1 3 251.374 0.666 10 0 CCAEHO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CN2CCC1CC2 ZINC000311795630 389105210 /nfs/dbraw/zinc/10/52/10/389105210.db2.gz YYUDYFSGNGDNHX-TZMCWYRMSA-N 1 3 265.401 0.929 10 0 CCAEHO CCC[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262603222 389289746 /nfs/dbraw/zinc/28/97/46/389289746.db2.gz ZIHBLFWPFLIFFA-STQMWFEESA-N 1 3 271.405 0.467 10 0 CCAEHO CCC[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262603222 389289753 /nfs/dbraw/zinc/28/97/53/389289753.db2.gz ZIHBLFWPFLIFFA-STQMWFEESA-N 1 3 271.405 0.467 10 0 CCAEHO CC[C@H](O)CN1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161937795 389412409 /nfs/dbraw/zinc/41/24/09/389412409.db2.gz CFHSOVJCHIRUSE-GJZGRUSLSA-N 1 3 269.433 0.859 10 0 CCAEHO CC[C@H](O)CN1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161937795 389412412 /nfs/dbraw/zinc/41/24/12/389412412.db2.gz CFHSOVJCHIRUSE-GJZGRUSLSA-N 1 3 269.433 0.859 10 0 CCAEHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]2C[NH3+])CCSC1 ZINC000333432235 389413078 /nfs/dbraw/zinc/41/30/78/389413078.db2.gz UUKMLXNNMOZGGJ-AAEUAGOBSA-N 1 3 286.445 0.556 10 0 CCAEHO CN1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170862670 389466565 /nfs/dbraw/zinc/46/65/65/389466565.db2.gz AYWGSHUYWAKUAD-LBPRGKRZSA-N 1 3 254.378 0.426 10 0 CCAEHO C[C@@H]([NH2+]CCCN1CCOCC1)[C@@H]1CCCNC1 ZINC000643454252 390448034 /nfs/dbraw/zinc/44/80/34/390448034.db2.gz QDCOOOJAOIMIPX-ZIAGYGMSSA-N 1 3 255.406 0.686 10 0 CCAEHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CNCCOC1 ZINC000649276644 390544168 /nfs/dbraw/zinc/54/41/68/390544168.db2.gz VHWXCBAZTWGUHS-UONOGXRCSA-N 1 3 285.432 0.849 10 0 CCAEHO CCN(CCNC(=O)[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000649318566 390575304 /nfs/dbraw/zinc/57/53/04/390575304.db2.gz WGWZAURECCNFNK-CQSZACIVSA-N 1 3 269.389 0.356 10 0 CCAEHO CCCN(CCN(C)C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649374994 390610407 /nfs/dbraw/zinc/61/04/07/390610407.db2.gz CRBCQWKVSZQSFQ-CQSZACIVSA-N 1 3 271.405 0.555 10 0 CCAEHO N=C(CN1CCC([NH+]2CCSCC2)CC1)NO ZINC000409433038 397524459 /nfs/dbraw/zinc/52/44/59/397524459.db2.gz XAVXTFMOPMVHMC-UHFFFAOYSA-N 1 3 258.391 0.456 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022218314 171376630 /nfs/dbraw/zinc/37/66/30/171376630.db2.gz OPMGGFCRYQQTOM-UHFFFAOYSA-N 1 3 285.413 0.765 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662703287 414743514 /nfs/dbraw/zinc/74/35/14/414743514.db2.gz JBUPLCMNQFYGMX-GMTAPVOTSA-N 1 3 293.333 0.985 10 0 CCAEHO CCN1CCO[C@H](CNC2CC[NH+](CC)CC2)C1 ZINC000165258988 544722061 /nfs/dbraw/zinc/72/20/61/544722061.db2.gz YEQMBQITRXDYQR-CQSZACIVSA-N 1 3 255.406 0.781 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173500214 279309844 /nfs/dbraw/zinc/30/98/44/279309844.db2.gz XSCFMUJHPVSMIJ-ZIAGYGMSSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173500214 279309845 /nfs/dbraw/zinc/30/98/45/279309845.db2.gz XSCFMUJHPVSMIJ-ZIAGYGMSSA-N 1 3 280.416 0.960 10 0 CCAEHO OCCN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000384746805 545085371 /nfs/dbraw/zinc/08/53/71/545085371.db2.gz RPJOIMJRTZETOC-SOUVJXGZSA-N 1 3 267.417 0.660 10 0 CCAEHO OCCN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000384746805 545085372 /nfs/dbraw/zinc/08/53/72/545085372.db2.gz RPJOIMJRTZETOC-SOUVJXGZSA-N 1 3 267.417 0.660 10 0 CCAEHO [NH3+]C1CCC(NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000333663123 295211387 /nfs/dbraw/zinc/21/13/87/295211387.db2.gz LXJFHABHHDFYBM-BPCQOVAHSA-N 1 3 266.389 0.746 10 0 CCAEHO O=C(NCC1(N2CCSCC2)CCCC1)C1C[NH2+]C1 ZINC000263310013 303757689 /nfs/dbraw/zinc/75/76/89/303757689.db2.gz PCUFDCIDNMYPKI-UHFFFAOYSA-N 1 3 283.441 0.684 10 0 CCAEHO CC[NH2+]C[C@@H]1CC[C@H](CN2CCN(CC)CC2)O1 ZINC000052422484 519955793 /nfs/dbraw/zinc/95/57/93/519955793.db2.gz MWERYMWATXSYJY-UONOGXRCSA-N 1 3 255.406 0.781 10 0 CCAEHO COCC[N@H+](CCn1cc(CN)nn1)[C@H](C)C1CC1 ZINC000052545390 523729427 /nfs/dbraw/zinc/72/94/27/523729427.db2.gz JRDQIKUZRKIWMD-LLVKDONJSA-N 1 3 267.377 0.484 10 0 CCAEHO COCC[N@@H+](CCn1cc(CN)nn1)[C@H](C)C1CC1 ZINC000052545390 523729432 /nfs/dbraw/zinc/72/94/32/523729432.db2.gz JRDQIKUZRKIWMD-LLVKDONJSA-N 1 3 267.377 0.484 10 0 CCAEHO [NH3+]Cc1ccc(NC(=O)CCN2CC[C@@H](O)C2)cc1 ZINC000061710170 527256045 /nfs/dbraw/zinc/25/60/45/527256045.db2.gz UKQALMJBXINFSW-CYBMUJFWSA-N 1 3 263.341 0.541 10 0 CCAEHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)CCN1C ZINC000398959564 581206472 /nfs/dbraw/zinc/20/64/72/581206472.db2.gz LJIPIARBAGSTOE-OCCSQVGLSA-N 1 3 255.406 0.515 10 0 CCAEHO CN(C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000091394524 349460983 /nfs/dbraw/zinc/46/09/83/349460983.db2.gz XUOPEIFTIRXGNC-STQMWFEESA-N 1 3 253.390 0.929 10 0 CCAEHO C[C@@H](CN1CCN(C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192842462 351801070 /nfs/dbraw/zinc/80/10/70/351801070.db2.gz BALKSVSACRJLBN-HNSVSWJLSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@@H](CN1CCN(C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192842462 351801071 /nfs/dbraw/zinc/80/10/71/351801071.db2.gz BALKSVSACRJLBN-HNSVSWJLSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@@H](CN1CCN(C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192842462 351801073 /nfs/dbraw/zinc/80/10/73/351801073.db2.gz BALKSVSACRJLBN-HNSVSWJLSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@H](CN1CCN(C)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192842479 351801328 /nfs/dbraw/zinc/80/13/28/351801328.db2.gz BALKSVSACRJLBN-WZYMTQMTSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@H](CN1CCN(C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192842479 351801331 /nfs/dbraw/zinc/80/13/31/351801331.db2.gz BALKSVSACRJLBN-WZYMTQMTSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@H](CN1CCN(C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192842479 351801334 /nfs/dbraw/zinc/80/13/34/351801334.db2.gz BALKSVSACRJLBN-WZYMTQMTSA-N 1 3 280.460 0.837 10 0 CCAEHO CCC[N@H+](CC)CCNC(=O)C(C)(C)N1CCNCC1 ZINC000226407651 352026627 /nfs/dbraw/zinc/02/66/27/352026627.db2.gz MOESGHVAPBQFFU-UHFFFAOYSA-N 1 3 284.448 0.518 10 0 CCAEHO CCC[N@@H+](CC)CCNC(=O)C(C)(C)N1CCNCC1 ZINC000226407651 352026632 /nfs/dbraw/zinc/02/66/32/352026632.db2.gz MOESGHVAPBQFFU-UHFFFAOYSA-N 1 3 284.448 0.518 10 0 CCAEHO O=C(C[C@@H]1CNCCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328642936 354244205 /nfs/dbraw/zinc/24/42/05/354244205.db2.gz RFHLHXDOQOHCFQ-WCQYABFASA-N 1 3 267.373 0.108 10 0 CCAEHO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335038750 354944936 /nfs/dbraw/zinc/94/49/36/354944936.db2.gz SDAHWKCCCBVOEM-VXGBXAGGSA-N 1 3 251.374 0.811 10 0 CCAEHO Cc1cc(NC(=O)CCN2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631840367 370706590 /nfs/dbraw/zinc/70/65/90/370706590.db2.gz SECWSCVGWCGPNI-KOLCDFICSA-N 1 3 266.345 0.260 10 0 CCAEHO CC(=O)Nc1cccc([C@H]2CNCCN2CC[NH3+])c1 ZINC000616636737 365396915 /nfs/dbraw/zinc/39/69/15/365396915.db2.gz NWDDVDGUBDRAGE-CQSZACIVSA-N 1 3 262.357 0.550 10 0 CCAEHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333362651 205255850 /nfs/dbraw/zinc/25/58/50/205255850.db2.gz LIEORQLMXGCCAB-OLZOCXBDSA-N 1 3 268.405 0.770 10 0 CCAEHO CC[C@H]1CCCCN1CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333437371 205321684 /nfs/dbraw/zinc/32/16/84/205321684.db2.gz VNZNRAPJOYHOTE-IHRRRGAJSA-N 1 3 298.431 0.225 10 0 CCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000111866926 285033615 /nfs/dbraw/zinc/03/36/15/285033615.db2.gz POSPLXCBYBZDOF-UONOGXRCSA-N 1 3 298.431 0.443 10 0 CCAEHO CC1(C)OCC[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000336903304 389029541 /nfs/dbraw/zinc/02/95/41/389029541.db2.gz VCXKUBDFCDSBKY-CHWSQXEVSA-N 1 3 256.390 0.990 10 0 CCAEHO CC(C)N(C)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176458286 389558500 /nfs/dbraw/zinc/55/85/00/389558500.db2.gz IDEAVYFTWDCTKZ-CQSZACIVSA-N 1 3 299.459 0.878 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000648152399 390314738 /nfs/dbraw/zinc/31/47/38/390314738.db2.gz YEVRUOPADLHZLM-ZJUUUORDSA-N 1 3 261.316 0.394 10 0 CCAEHO COCCC1(C(=O)N2CC[C@@H](N(C)C)C2)CC[NH2+]CC1 ZINC000643777632 390542561 /nfs/dbraw/zinc/54/25/61/390542561.db2.gz PLKBGUFCQWEPDS-CYBMUJFWSA-N 1 3 283.416 0.555 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000662911048 414884168 /nfs/dbraw/zinc/88/41/68/414884168.db2.gz QTSRXZURMTVLOG-GXTWGEPZSA-N 1 3 269.389 0.356 10 0 CCAEHO CSCC[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258225 545880652 /nfs/dbraw/zinc/88/06/52/545880652.db2.gz LLZYEQNSCRQDIP-SECBINFHSA-N 1 3 269.374 0.046 10 0 CCAEHO CC(C)(C[NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725260404 545882444 /nfs/dbraw/zinc/88/24/44/545882444.db2.gz RGDKOSMBAUWLHN-UHFFFAOYSA-N 1 3 251.334 0.341 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000136424554 544639489 /nfs/dbraw/zinc/63/94/89/544639489.db2.gz UCIHOSYFJCJKRI-CABCVRRESA-N 1 3 298.475 0.748 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250341907 544921628 /nfs/dbraw/zinc/92/16/28/544921628.db2.gz DAAQIIHFTSLLLS-YNEHKIRRSA-N 1 3 253.390 0.914 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@H]1CNC1CCC2(CCOCC2)CC1 ZINC000262188815 544941719 /nfs/dbraw/zinc/94/17/19/544941719.db2.gz YAQCJEWZHDVNJO-GXTWGEPZSA-N 1 3 268.401 0.896 10 0 CCAEHO O[C@@H]1CNC[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000262188815 544941723 /nfs/dbraw/zinc/94/17/23/544941723.db2.gz YAQCJEWZHDVNJO-GXTWGEPZSA-N 1 3 268.401 0.896 10 0 CCAEHO NC(C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000334844311 545047365 /nfs/dbraw/zinc/04/73/65/545047365.db2.gz JLLVQVPFBPHHHM-WCBMZHEXSA-N 1 3 265.279 0.478 10 0 CCAEHO CCN(CC)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176865731 279086360 /nfs/dbraw/zinc/08/63/60/279086360.db2.gz JEVUVWNMYAGAIP-AWEZNQCLSA-N 1 3 299.459 0.879 10 0 CCAEHO CCN(CC)CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176865720 279086486 /nfs/dbraw/zinc/08/64/86/279086486.db2.gz JEVUVWNMYAGAIP-CQSZACIVSA-N 1 3 299.459 0.879 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000389132467 545086373 /nfs/dbraw/zinc/08/63/73/545086373.db2.gz FKBJVLJKAMRXQB-GFCCVEGCSA-N 1 3 269.389 0.342 10 0 CCAEHO CC(C)[C@H](CN(C)C)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051116517 519814449 /nfs/dbraw/zinc/81/44/49/519814449.db2.gz JESJWDKXTFJQLQ-NSHDSACASA-N 1 3 265.361 0.683 10 0 CCAEHO CC[C@@H](C)[C@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643119 522363540 /nfs/dbraw/zinc/36/35/40/522363540.db2.gz GHVAXYOMYSZWGN-KGLIPLIRSA-N 1 3 256.438 0.539 10 0 CCAEHO CN(CC[NH2+]C1CCOCC1)[C@@H]1CCCN(C)C1 ZINC000062767743 522863813 /nfs/dbraw/zinc/86/38/13/522863813.db2.gz GMXFJZPAYOEYJV-CQSZACIVSA-N 1 3 255.406 0.781 10 0 CCAEHO CN(CC[NH2+]C1CCOCC1)[C@H]1CCCN(C)C1 ZINC000062767742 522865232 /nfs/dbraw/zinc/86/52/32/522865232.db2.gz GMXFJZPAYOEYJV-AWEZNQCLSA-N 1 3 255.406 0.781 10 0 CCAEHO C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H]1[NH3+] ZINC000055136306 524266623 /nfs/dbraw/zinc/26/66/23/524266623.db2.gz RIPAFWCVBDTQQN-FDYHWXHSSA-N 1 3 253.390 0.960 10 0 CCAEHO CO[C@@H]1CCC[C@@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000310877924 623588652 /nfs/dbraw/zinc/58/86/52/623588652.db2.gz NCFWJPFDKPMEID-MELADBBJSA-N 1 3 256.390 0.990 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252545661 649828515 /nfs/dbraw/zinc/82/85/15/649828515.db2.gz JPEIBLIDBMJXNY-MELADBBJSA-N 1 3 281.400 0.356 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN1CCCCCC1 ZINC000111270870 349769457 /nfs/dbraw/zinc/76/94/57/349769457.db2.gz RCLQUBSNYUMVQM-CHWSQXEVSA-N 1 3 253.390 0.834 10 0 CCAEHO CCN1CCC(NC(=O)CN2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261833441 137022044 /nfs/dbraw/zinc/02/20/44/137022044.db2.gz YYWBMXPAXYCQMQ-CQSZACIVSA-N 1 3 296.459 0.646 10 0 CCAEHO COc1ccc([C@H](C)CNC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263142261 137059169 /nfs/dbraw/zinc/05/91/69/137059169.db2.gz CJWLYTRKNFKZQU-OSAQELSMSA-N 1 3 264.369 0.969 10 0 CCAEHO C[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)[N@H+](C)C1CC1 ZINC000171907342 350942108 /nfs/dbraw/zinc/94/21/08/350942108.db2.gz IRVKPXIJELSGGI-TZMCWYRMSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000171907342 350942109 /nfs/dbraw/zinc/94/21/09/350942109.db2.gz IRVKPXIJELSGGI-TZMCWYRMSA-N 1 3 280.416 0.959 10 0 CCAEHO O=C(C[C@H]1CCC[NH2+]1)N1CCCN(C2CC2)CC1 ZINC000178747839 351244624 /nfs/dbraw/zinc/24/46/24/351244624.db2.gz CIQPJKUDVRXGLZ-GFCCVEGCSA-N 1 3 251.374 0.825 10 0 CCAEHO O=C(NC1CC[NH+](C2CC2)CC1)c1[nH]nc2c1CNCC2 ZINC000188706532 351620091 /nfs/dbraw/zinc/62/00/91/351620091.db2.gz URSXMPCAXIZXPX-UHFFFAOYSA-N 1 3 289.383 0.412 10 0 CCAEHO COCC[N@H+](C)CCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247646483 352422729 /nfs/dbraw/zinc/42/27/29/352422729.db2.gz VGCYYYHZJFKUSU-AWEZNQCLSA-N 1 3 298.431 0.444 10 0 CCAEHO COCC[N@@H+](C)CCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247646483 352422731 /nfs/dbraw/zinc/42/27/31/352422731.db2.gz VGCYYYHZJFKUSU-AWEZNQCLSA-N 1 3 298.431 0.444 10 0 CCAEHO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335038747 354945002 /nfs/dbraw/zinc/94/50/02/354945002.db2.gz SDAHWKCCCBVOEM-NEPJUHHUSA-N 1 3 251.374 0.811 10 0 CCAEHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336391070 355114423 /nfs/dbraw/zinc/11/44/23/355114423.db2.gz RPDWCGNSYPKLPG-OCCSQVGLSA-N 1 3 278.400 0.713 10 0 CCAEHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336391070 355114424 /nfs/dbraw/zinc/11/44/24/355114424.db2.gz RPDWCGNSYPKLPG-OCCSQVGLSA-N 1 3 278.400 0.713 10 0 CCAEHO CCN1CCC[C@H]1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336826385 355201519 /nfs/dbraw/zinc/20/15/19/355201519.db2.gz NPIWHFHUGHFEQV-GJZGRUSLSA-N 1 3 285.432 0.096 10 0 CCAEHO CCN1CCC[C@H]1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336826385 355201522 /nfs/dbraw/zinc/20/15/22/355201522.db2.gz NPIWHFHUGHFEQV-GJZGRUSLSA-N 1 3 285.432 0.096 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)CN(C)CCOC ZINC000380790168 357706478 /nfs/dbraw/zinc/70/64/78/357706478.db2.gz IBOCGHJXEMANHJ-GJZGRUSLSA-N 1 3 287.448 0.342 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)CN(C)CCOC ZINC000380790168 357706481 /nfs/dbraw/zinc/70/64/81/357706481.db2.gz IBOCGHJXEMANHJ-GJZGRUSLSA-N 1 3 287.448 0.342 10 0 CCAEHO O=C([C@H]1CCC[NH2+]C1)N1CCCN(C2CC2)CC1 ZINC000178746934 296110463 /nfs/dbraw/zinc/11/04/63/296110463.db2.gz MSMMNVYPAGEAFL-LBPRGKRZSA-N 1 3 251.374 0.683 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638109293 374675973 /nfs/dbraw/zinc/67/59/73/374675973.db2.gz TUDLYLFIIQNSTK-UMVBOHGHSA-N 1 3 283.416 0.696 10 0 CCAEHO COC[C@]1(C(=O)N2CC[C@H]([NH+](C)C)C2)CCCCN1 ZINC000638276198 374880186 /nfs/dbraw/zinc/88/01/86/374880186.db2.gz RJYQGSVYNBJASP-JSGCOSHPSA-N 1 3 269.389 0.308 10 0 CCAEHO CC1CCN(CC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000136110544 284884323 /nfs/dbraw/zinc/88/43/23/284884323.db2.gz GTKGLXOONAUHCD-CYBMUJFWSA-N 1 3 253.390 0.881 10 0 CCAEHO CCC[C@H](C(=O)NCC[N@H+](CC)CCO)N(C)C ZINC000183976108 388767052 /nfs/dbraw/zinc/76/70/52/388767052.db2.gz BHQVPTFWEDIGMD-GFCCVEGCSA-N 1 3 259.394 0.147 10 0 CCAEHO CCC[C@H](C(=O)NCC[N@@H+](CC)CCO)N(C)C ZINC000183976108 388767059 /nfs/dbraw/zinc/76/70/59/388767059.db2.gz BHQVPTFWEDIGMD-GFCCVEGCSA-N 1 3 259.394 0.147 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000263272181 389298843 /nfs/dbraw/zinc/29/88/43/389298843.db2.gz SIGYDXDJLRNQPJ-SYLRKERUSA-N 1 3 252.358 0.114 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000170830562 389464056 /nfs/dbraw/zinc/46/40/56/389464056.db2.gz LZGKUHRZGXBAFF-GXTWGEPZSA-N 1 3 280.416 0.816 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000170830562 389464061 /nfs/dbraw/zinc/46/40/61/389464061.db2.gz LZGKUHRZGXBAFF-GXTWGEPZSA-N 1 3 280.416 0.816 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOC[C@H]3CCCO3)C[C@@H]12 ZINC000567270823 390685770 /nfs/dbraw/zinc/68/57/70/390685770.db2.gz PZRFSMPSUOAFOO-AAVRWANBSA-N 1 3 254.374 0.851 10 0 CCAEHO C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000300408876 411743255 /nfs/dbraw/zinc/74/32/55/411743255.db2.gz DEKSNLSHDPMSTP-NTZNESFSSA-N 1 3 253.390 0.960 10 0 CCAEHO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCN2CCC1CC2 ZINC000653150642 412243025 /nfs/dbraw/zinc/24/30/25/412243025.db2.gz IWPFAEBXRCOQER-GHMZBOCLSA-N 1 3 291.317 0.691 10 0 CCAEHO C[C@H](O)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662256961 414700574 /nfs/dbraw/zinc/70/05/74/414700574.db2.gz KQUPIWUTWFLUDO-WCQYABFASA-N 1 3 254.374 0.600 10 0 CCAEHO CCOC(=O)[C@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)NC ZINC000071190965 176067827 /nfs/dbraw/zinc/06/78/27/176067827.db2.gz VKSDMAIJIHJBBQ-OLZOCXBDSA-N 1 3 271.405 0.411 10 0 CCAEHO CCOC(=O)[C@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)NC ZINC000071190965 176067829 /nfs/dbraw/zinc/06/78/29/176067829.db2.gz VKSDMAIJIHJBBQ-OLZOCXBDSA-N 1 3 271.405 0.411 10 0 CCAEHO CN(C)CCOCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000234266337 544867751 /nfs/dbraw/zinc/86/77/51/544867751.db2.gz DERGZIFLEURHJQ-NWDGAFQWSA-N 1 3 257.378 0.056 10 0 CCAEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000343710995 288091000 /nfs/dbraw/zinc/09/10/00/288091000.db2.gz KKFTYOZCCJCTTG-MCIONIFRSA-N 1 3 255.406 0.373 10 0 CCAEHO CS[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000262565907 295643872 /nfs/dbraw/zinc/64/38/72/295643872.db2.gz LFTIOAUNFWKXDB-NWDGAFQWSA-N 1 3 271.430 0.490 10 0 CCAEHO CCC[N@H+](CC[C@@H](NC(C)C)C(N)=O)CCN(C)C ZINC000062527953 521669890 /nfs/dbraw/zinc/66/98/90/521669890.db2.gz KTCVRMALZPLJIL-CYBMUJFWSA-N 1 3 272.437 0.502 10 0 CCAEHO CCC[N@@H+](CC[C@@H](NC(C)C)C(N)=O)CCN(C)C ZINC000062527953 521669895 /nfs/dbraw/zinc/66/98/95/521669895.db2.gz KTCVRMALZPLJIL-CYBMUJFWSA-N 1 3 272.437 0.502 10 0 CCAEHO CCCC[C@@H](N)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645383 521062982 /nfs/dbraw/zinc/06/29/82/521062982.db2.gz QJLYALPAORQSIV-CYBMUJFWSA-N 1 3 270.421 0.210 10 0 CCAEHO C[C@H](CCN(C)C)[NH2+][C@H](C)C(=O)N1CCOCC1 ZINC000049557534 524168546 /nfs/dbraw/zinc/16/85/46/524168546.db2.gz QWAFFTSKRRSLBR-VXGBXAGGSA-N 1 3 257.378 0.164 10 0 CCAEHO C[C@H]([NH3+])[C@H](N1CCN(CCN(C)C)CC1)C(C)(C)C ZINC000061642416 524851753 /nfs/dbraw/zinc/85/17/53/524851753.db2.gz GRTSNEREEKBFJN-KBPBESRZSA-N 1 3 270.465 0.928 10 0 CCAEHO Cn1cc(CN2CCN(CCCC[NH3+])CC2)cn1 ZINC000050539187 527204324 /nfs/dbraw/zinc/20/43/24/527204324.db2.gz JCCNCMSHHIMMEY-UHFFFAOYSA-N 1 3 251.378 0.277 10 0 CCAEHO CCC(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1)[NH+]1CCCC1 ZINC000262424892 535143955 /nfs/dbraw/zinc/14/39/55/535143955.db2.gz RADLMWUITLMJAJ-ILXRZTDVSA-N 1 3 297.443 0.726 10 0 CCAEHO CC1(C)CC2(CC(C)(C)[NH2+]1)NCCC1(CNC1)O2 ZINC000757148299 581680749 /nfs/dbraw/zinc/68/07/49/581680749.db2.gz MZIGDTMVOHCUGD-UHFFFAOYSA-N 1 3 253.390 0.975 10 0 CCAEHO O[C@H](CN1CCN2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000311254038 637295403 /nfs/dbraw/zinc/29/54/03/637295403.db2.gz QEEVCZXMWCGOST-CABCVRRESA-N 1 3 267.417 0.613 10 0 CCAEHO CN(CC1CCN(C)CC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091542571 349466352 /nfs/dbraw/zinc/46/63/52/349466352.db2.gz VYZWPMVRMZCCOW-STQMWFEESA-N 1 3 253.390 0.914 10 0 CCAEHO CN(C)C[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000245704269 282140503 /nfs/dbraw/zinc/14/05/03/282140503.db2.gz YBXSXQNMWFETMC-KGLIPLIRSA-N 1 3 255.406 0.733 10 0 CCAEHO CN(C)C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CCO1 ZINC000245704269 282140504 /nfs/dbraw/zinc/14/05/04/282140504.db2.gz YBXSXQNMWFETMC-KGLIPLIRSA-N 1 3 255.406 0.733 10 0 CCAEHO CN(C)CCN(Cc1ccccc1F)C(=O)C1C[NH2+]C1 ZINC000262467607 137044040 /nfs/dbraw/zinc/04/40/40/137044040.db2.gz XYHXRJFTFMSWSQ-UHFFFAOYSA-N 1 3 279.359 0.935 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252601345 352520001 /nfs/dbraw/zinc/52/00/01/352520001.db2.gz MHXNRLRSBODUSD-XQQFMLRXSA-N 1 3 253.390 0.927 10 0 CCAEHO O=C(C[C@H]1CNCCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328642934 354244433 /nfs/dbraw/zinc/24/44/33/354244433.db2.gz RFHLHXDOQOHCFQ-AAEUAGOBSA-N 1 3 267.373 0.108 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771619 372222238 /nfs/dbraw/zinc/22/22/38/372222238.db2.gz BHOQUHWRVQSPDM-YDHLFZDLSA-N 1 3 265.401 0.977 10 0 CCAEHO CN(C)CCOCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771426 372222358 /nfs/dbraw/zinc/22/23/58/372222358.db2.gz UZPJDOHPQRSQIS-JSGCOSHPSA-N 1 3 269.389 0.071 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCCN1 ZINC000638109203 374676320 /nfs/dbraw/zinc/67/63/20/374676320.db2.gz SKSXZGRMBAYPSD-UKRRQHHQSA-N 1 3 281.400 0.452 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCCN1 ZINC000638109203 374676327 /nfs/dbraw/zinc/67/63/27/374676327.db2.gz SKSXZGRMBAYPSD-UKRRQHHQSA-N 1 3 281.400 0.452 10 0 CCAEHO O[C@@]1(CNC2CC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC000422972816 389513363 /nfs/dbraw/zinc/51/33/63/389513363.db2.gz AKTAMLSTNVPJKO-QGZVFWFLSA-N 1 3 289.423 0.965 10 0 CCAEHO CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000174922778 389532662 /nfs/dbraw/zinc/53/26/62/389532662.db2.gz PDVYRDNJXNFCLQ-HNNXBMFYSA-N 1 3 297.443 0.896 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649328386 390585892 /nfs/dbraw/zinc/58/58/92/390585892.db2.gz UYPIRBNIXNSZGH-ZFWWWQNUSA-N 1 3 283.416 0.698 10 0 CCAEHO COC[C@@]1(C(=O)NC[C@H](C)N(C)C2CC2)CCC[NH2+]1 ZINC000649319602 390576684 /nfs/dbraw/zinc/57/66/84/390576684.db2.gz IJUONTUGMNDRNN-SMDDNHRTSA-N 1 3 269.389 0.354 10 0 CCAEHO C[C@@H](CN1CCCCC1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129614227 411719682 /nfs/dbraw/zinc/71/96/82/411719682.db2.gz NUXWIXKCLZWBGQ-AWEZNQCLSA-N 1 3 296.459 0.661 10 0 CCAEHO CNC(=O)NC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000020303264 171140417 /nfs/dbraw/zinc/14/04/17/171140417.db2.gz KEWUPEBXYVYZJS-VIFPVBQESA-N 1 3 258.366 0.008 10 0 CCAEHO C[NH+](C)CCCNS(=O)(=O)c1cccc(CN)c1 ZINC000022222319 171378636 /nfs/dbraw/zinc/37/86/36/171378636.db2.gz KHRCGKHOKJEGMD-UHFFFAOYSA-N 1 3 271.386 0.375 10 0 CCAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N(C)C ZINC000653112540 412224269 /nfs/dbraw/zinc/22/42/69/412224269.db2.gz ALBWIOYOUWAPJD-IWSPIJDZSA-N 1 3 267.295 0.451 10 0 CCAEHO CN(C)CCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653153779 412245226 /nfs/dbraw/zinc/24/52/26/412245226.db2.gz ZTCCTNBDDIMHNM-NXEZZACHSA-N 1 3 297.321 0.079 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COC1(C)CNC1 ZINC000098061759 544556531 /nfs/dbraw/zinc/55/65/31/544556531.db2.gz CWZFKDSDZSZHOC-GFCCVEGCSA-N 1 3 269.389 0.308 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)COC1(C)CNC1 ZINC000098061759 544556534 /nfs/dbraw/zinc/55/65/34/544556534.db2.gz CWZFKDSDZSZHOC-GFCCVEGCSA-N 1 3 269.389 0.308 10 0 CCAEHO C[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000334921715 288317894 /nfs/dbraw/zinc/31/78/94/288317894.db2.gz OMFKNNOVJMKYEC-GHMZBOCLSA-N 1 3 252.362 0.226 10 0 CCAEHO C[C@@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000334921715 288317897 /nfs/dbraw/zinc/31/78/97/288317897.db2.gz OMFKNNOVJMKYEC-GHMZBOCLSA-N 1 3 252.362 0.226 10 0 CCAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2CCN(C)C2=O)CC1 ZINC000246946994 290085033 /nfs/dbraw/zinc/08/50/33/290085033.db2.gz JDNHYBDYOJKKDM-JSGCOSHPSA-N 1 3 283.416 0.242 10 0 CCAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(C)CC1 ZINC000113579319 300313514 /nfs/dbraw/zinc/31/35/14/300313514.db2.gz VQWDWUCOLVBDKB-GXTWGEPZSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(C)CC1 ZINC000113579319 300313517 /nfs/dbraw/zinc/31/35/17/300313517.db2.gz VQWDWUCOLVBDKB-GXTWGEPZSA-N 1 3 280.416 0.959 10 0 CCAEHO CCC(CC)[C@@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643167 521602628 /nfs/dbraw/zinc/60/26/28/521602628.db2.gz VZWRAADWMSTAIS-OAHLLOKOSA-N 1 3 270.465 0.929 10 0 CCAEHO CN(C)CCN1CCN(C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000061653810 521765495 /nfs/dbraw/zinc/76/54/95/521765495.db2.gz ZXGRIUPEWJVBLH-LSDHHAIUSA-N 1 3 268.449 0.683 10 0 CCAEHO C[NH2+]C[C@@H]1CC[C@H](CN(CCOC)CCOC)O1 ZINC000052571477 522059392 /nfs/dbraw/zinc/05/93/92/522059392.db2.gz YRRMOKPIYXTVQL-QWHCGFSZSA-N 1 3 260.378 0.348 10 0 CCAEHO CC[C@H](CC[NH3+])N1CCN(CCCCCO)CC1 ZINC000051020303 522127150 /nfs/dbraw/zinc/12/71/50/522127150.db2.gz PEODGBKGACCXLA-CQSZACIVSA-N 1 3 257.422 0.894 10 0 CCAEHO C[NH+](C)CC1CCN(CCn2cc(CN)nn2)CC1 ZINC000052515351 524049600 /nfs/dbraw/zinc/04/96/00/524049600.db2.gz QUQSMVPYICGODP-UHFFFAOYSA-N 1 3 266.393 0.010 10 0 CCAEHO C[C@@H](C[NH2+]C1CC1)N1CCN(CCN(C)C)CC1 ZINC000061654884 524736714 /nfs/dbraw/zinc/73/67/14/524736714.db2.gz SGBNOELLOSBBMK-ZDUSSCGKSA-N 1 3 254.422 0.306 10 0 CCAEHO Cn1ncc(CN)c1CN1CCC[C@H]([NH+](C)C)C1 ZINC000675055970 545320583 /nfs/dbraw/zinc/32/05/83/545320583.db2.gz FPQYNOJOTCLLFY-LBPRGKRZSA-N 1 3 251.378 0.405 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000136483712 614225261 /nfs/dbraw/zinc/22/52/61/614225261.db2.gz CBXNJPMWCZEMMH-FRRDWIJNSA-N 1 3 269.389 0.339 10 0 CCAEHO CO[C@@H]1CCC[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000310877925 623588424 /nfs/dbraw/zinc/58/84/24/623588424.db2.gz NCFWJPFDKPMEID-MGPQQGTHSA-N 1 3 256.390 0.990 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000094462899 631366588 /nfs/dbraw/zinc/36/65/88/631366588.db2.gz FTYIJNCHQKDSJC-JHJVBQTASA-N 1 3 287.429 0.237 10 0 CCAEHO COCCN(C)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113612639 349817735 /nfs/dbraw/zinc/81/77/35/349817735.db2.gz MQBCFLWYADXMIU-UONOGXRCSA-N 1 3 298.431 0.443 10 0 CCAEHO COCCN(C)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113612639 349817737 /nfs/dbraw/zinc/81/77/37/349817737.db2.gz MQBCFLWYADXMIU-UONOGXRCSA-N 1 3 298.431 0.443 10 0 CCAEHO C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[N@H+](C)C1CC1 ZINC000117045940 349880371 /nfs/dbraw/zinc/88/03/71/349880371.db2.gz OGXVSHPBGKNLQB-GXTWGEPZSA-N 1 3 298.431 0.441 10 0 CCAEHO C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[N@@H+](C)C1CC1 ZINC000117045940 349880373 /nfs/dbraw/zinc/88/03/73/349880373.db2.gz OGXVSHPBGKNLQB-GXTWGEPZSA-N 1 3 298.431 0.441 10 0 CCAEHO C[C@H]1CN(CCCCNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263299230 137063343 /nfs/dbraw/zinc/06/33/43/137063343.db2.gz NCHBLXDZJZBOEJ-RYUDHWBXSA-N 1 3 269.389 0.211 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000070542349 348892773 /nfs/dbraw/zinc/89/27/73/348892773.db2.gz XUYKCKLLMIFQFT-ZDUSSCGKSA-N 1 3 261.369 0.964 10 0 CCAEHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129688671 350220482 /nfs/dbraw/zinc/22/04/82/350220482.db2.gz UBLJCOCOLYKLPI-CQSZACIVSA-N 1 3 296.459 0.517 10 0 CCAEHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129688671 350220483 /nfs/dbraw/zinc/22/04/83/350220483.db2.gz UBLJCOCOLYKLPI-CQSZACIVSA-N 1 3 296.459 0.517 10 0 CCAEHO C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000123238749 187079553 /nfs/dbraw/zinc/07/95/53/187079553.db2.gz QPTKIVSPBWRTBA-MCIONIFRSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000123238749 187079554 /nfs/dbraw/zinc/07/95/54/187079554.db2.gz QPTKIVSPBWRTBA-MCIONIFRSA-N 1 3 255.406 0.779 10 0 CCAEHO CCN(CCNC(=O)C(C)(C)N1CC[NH2+]CC1)C1CC1 ZINC000226398006 352025804 /nfs/dbraw/zinc/02/58/04/352025804.db2.gz ANHPCJMNMIRYBP-UHFFFAOYSA-N 1 3 282.432 0.271 10 0 CCAEHO C[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000247478027 352416740 /nfs/dbraw/zinc/41/67/40/352416740.db2.gz IRVKPXIJELSGGI-JSGCOSHPSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000247478027 352416743 /nfs/dbraw/zinc/41/67/43/352416743.db2.gz IRVKPXIJELSGGI-JSGCOSHPSA-N 1 3 280.416 0.959 10 0 CCAEHO O=C(CNC[C@@H]1CCCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328634701 354242977 /nfs/dbraw/zinc/24/29/77/354242977.db2.gz MYBZYJFHRMQNGS-JSGCOSHPSA-N 1 3 281.400 0.498 10 0 CCAEHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824577 354800411 /nfs/dbraw/zinc/80/04/11/354800411.db2.gz RPTYFSZDWUPMKN-RFGFWPKPSA-N 1 3 298.431 0.081 10 0 CCAEHO O=C(CC[C@@H]1CCC[NH2+]1)N1CCN2CCC1CC2 ZINC000335050717 354949974 /nfs/dbraw/zinc/94/99/74/354949974.db2.gz DXASNVDXJUQGIA-LBPRGKRZSA-N 1 3 251.374 0.825 10 0 CCAEHO CN1CC[C@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000333625401 283147653 /nfs/dbraw/zinc/14/76/53/283147653.db2.gz FTLNDEMBGBRDRH-NWDGAFQWSA-N 1 3 266.389 0.603 10 0 CCAEHO CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000563055807 291185774 /nfs/dbraw/zinc/18/57/74/291185774.db2.gz UPTSUGPKINYORD-NWDGAFQWSA-N 1 3 257.353 0.535 10 0 CCAEHO CCOC(=O)c1ccc([C@H]2CNCCN2CC[NH3+])cc1 ZINC000616636695 365396958 /nfs/dbraw/zinc/39/69/58/365396958.db2.gz NILMNDJBWWNHOH-CQSZACIVSA-N 1 3 277.368 0.768 10 0 CCAEHO [NH3+]CCN1CCN[C@@H](c2cccc3ccnnc32)C1 ZINC000616654753 365409824 /nfs/dbraw/zinc/40/98/24/365409824.db2.gz PBLMNISCCHKWAK-CYBMUJFWSA-N 1 3 257.341 0.535 10 0 CCAEHO C[C@]1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCC[NH2+]1 ZINC000252769035 291362169 /nfs/dbraw/zinc/36/21/69/291362169.db2.gz HHABURYOWDPAAR-GZBFAFLISA-N 1 3 281.400 0.498 10 0 CCAEHO CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CNCCOC2)CC1 ZINC000638979767 375493489 /nfs/dbraw/zinc/49/34/89/375493489.db2.gz HYFOTIPEYUKYME-CYBMUJFWSA-N 1 3 283.416 0.555 10 0 CCAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000261887381 295272227 /nfs/dbraw/zinc/27/22/27/295272227.db2.gz ZVTFSISSSKIHTN-NTZNESFSSA-N 1 3 251.374 0.714 10 0 CCAEHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000311945953 389106162 /nfs/dbraw/zinc/10/61/62/389106162.db2.gz KKRFWOMGETURPI-KKUMJFAQSA-N 1 3 269.433 0.858 10 0 CCAEHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000311945953 389106163 /nfs/dbraw/zinc/10/61/63/389106163.db2.gz KKRFWOMGETURPI-KKUMJFAQSA-N 1 3 269.433 0.858 10 0 CCAEHO C[NH+](C)CCC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111684877 389112026 /nfs/dbraw/zinc/11/20/26/389112026.db2.gz UFSOXMRLMGHPOY-OAHLLOKOSA-N 1 3 297.443 0.633 10 0 CCAEHO [NH3+]CCNCCCNC(=O)OCc1ccccc1 ZINC000196162806 389128941 /nfs/dbraw/zinc/12/89/41/389128941.db2.gz TXPXJMLBLARBPX-UHFFFAOYSA-N 1 3 251.330 0.851 10 0 CCAEHO CC[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)N(C)C ZINC000152217573 389286172 /nfs/dbraw/zinc/28/61/72/389286172.db2.gz BVHUEFRGCPOWSF-VXGBXAGGSA-N 1 3 257.378 0.116 10 0 CCAEHO C[C@@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@@H]1[NH3+] ZINC000335378735 389551782 /nfs/dbraw/zinc/55/17/82/389551782.db2.gz HAPBOACQPHVNCL-MFKMUULPSA-N 1 3 251.374 0.666 10 0 CCAEHO O=C([C@H]1C[NH2+]CCOC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000649322275 390580059 /nfs/dbraw/zinc/58/00/59/390580059.db2.gz KQOSDKVNIAZNSQ-UONOGXRCSA-N 1 3 281.400 0.309 10 0 CCAEHO COC[C@]1(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCC[NH2+]1 ZINC000649333335 390589244 /nfs/dbraw/zinc/58/92/44/390589244.db2.gz NCXDJFBZWUAYCB-BZPMIXESSA-N 1 3 269.389 0.354 10 0 CCAEHO CN1CCC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000044538741 411629423 /nfs/dbraw/zinc/62/94/23/411629423.db2.gz GIIPVHWFADBDEV-HIFPTAJRSA-N 1 3 253.390 0.962 10 0 CCAEHO COCCN(C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000061380519 411685313 /nfs/dbraw/zinc/68/53/13/411685313.db2.gz OOZMYBKSHMNPJE-UHFFFAOYSA-N 1 3 257.378 0.198 10 0 CCAEHO CN1CCN(CCC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022151963 171358951 /nfs/dbraw/zinc/35/89/51/171358951.db2.gz XPHJAEBZDCCQOB-UHFFFAOYSA-N 1 3 276.384 0.721 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662703288 414743797 /nfs/dbraw/zinc/74/37/97/414743797.db2.gz JBUPLCMNQFYGMX-HBNTYKKESA-N 1 3 293.333 0.985 10 0 CCAEHO COC[C@@]1(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851597 414842821 /nfs/dbraw/zinc/84/28/21/414842821.db2.gz BXJZGQGIVNXCIX-SWLSCSKDSA-N 1 3 283.416 0.744 10 0 CCAEHO [NH3+]C[C@@H](O)CN1CCN(CCC2=CCCCC2)CC1 ZINC000071599342 176223937 /nfs/dbraw/zinc/22/39/37/176223937.db2.gz MOMUFHKKWVKHJN-OAHLLOKOSA-N 1 3 267.417 0.814 10 0 CCAEHO CC(C)c1nccn1CCCNC[C@]1(O)CC[NH2+]C1 ZINC000072411616 176399050 /nfs/dbraw/zinc/39/90/50/176399050.db2.gz UJJTTZYEDLSZCP-CQSZACIVSA-N 1 3 266.389 0.711 10 0 CCAEHO CC[C@H](C)[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258501 545881640 /nfs/dbraw/zinc/88/16/40/545881640.db2.gz QQAOVYWGMHZDPX-KWQFWETISA-N 1 3 251.334 0.339 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250347692 544922265 /nfs/dbraw/zinc/92/22/65/544922265.db2.gz QRZZMLAQNMBMJH-XQQFMLRXSA-N 1 3 253.390 0.962 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000389523311 545086881 /nfs/dbraw/zinc/08/68/81/545086881.db2.gz AAYSGAJCNBLMHB-CHWSQXEVSA-N 1 3 253.390 0.977 10 0 CCAEHO C[C@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@H]1[NH3+] ZINC000335378734 300120047 /nfs/dbraw/zinc/12/00/47/300120047.db2.gz HAPBOACQPHVNCL-GXFFZTMASA-N 1 3 251.374 0.666 10 0 CCAEHO CCO[C@H]1CCC[N@H+](CCn2cc(CN)nn2)C1 ZINC000052372232 520526048 /nfs/dbraw/zinc/52/60/48/520526048.db2.gz HUZVJMJOWAFWMF-LBPRGKRZSA-N 1 3 253.350 0.238 10 0 CCAEHO CCO[C@H]1CCC[N@@H+](CCn2cc(CN)nn2)C1 ZINC000052372232 520526052 /nfs/dbraw/zinc/52/60/52/520526052.db2.gz HUZVJMJOWAFWMF-LBPRGKRZSA-N 1 3 253.350 0.238 10 0 CCAEHO CC[C@@H](C)[C@@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643117 522299744 /nfs/dbraw/zinc/29/97/44/522299744.db2.gz GHVAXYOMYSZWGN-ZIAGYGMSSA-N 1 3 256.438 0.539 10 0 CCAEHO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCN1CCCC1 ZINC000055131677 524145158 /nfs/dbraw/zinc/14/51/58/524145158.db2.gz VLBRYGPBBUEEAP-YNEHKIRRSA-N 1 3 253.390 0.962 10 0 CCAEHO C[C@H]1CC[C@H](C(=O)NCCN2CCCCC2)C[NH2+]1 ZINC000049575584 524382127 /nfs/dbraw/zinc/38/21/27/524382127.db2.gz IDQRSVXVTXMCPL-STQMWFEESA-N 1 3 253.390 0.977 10 0 CCAEHO O=S(=O)(C1CC[NH2+]CC1)N1CC[C@H](N2CCCC2)C1 ZINC000069051531 527164113 /nfs/dbraw/zinc/16/41/13/527164113.db2.gz BINMKNPZSDGXDG-LBPRGKRZSA-N 1 3 287.429 0.238 10 0 CCAEHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCO)CC2)CCN1C ZINC000398959563 581206523 /nfs/dbraw/zinc/20/65/23/581206523.db2.gz LJIPIARBAGSTOE-JSGCOSHPSA-N 1 3 255.406 0.515 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](N)CC1CC1 ZINC000310667885 623438494 /nfs/dbraw/zinc/43/84/94/623438494.db2.gz FKHQXKICPSQGEP-RAIGVLPGSA-N 1 3 251.374 0.809 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](N)CC1CC1 ZINC000310667885 623438502 /nfs/dbraw/zinc/43/85/02/623438502.db2.gz FKHQXKICPSQGEP-RAIGVLPGSA-N 1 3 251.374 0.809 10 0 CCAEHO COCC[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000052809693 623488052 /nfs/dbraw/zinc/48/80/52/623488052.db2.gz OLFCJOZQIMTSGP-KGLIPLIRSA-N 1 3 279.384 0.769 10 0 CCAEHO CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)N(C)C ZINC000152087935 290663641 /nfs/dbraw/zinc/66/36/41/290663641.db2.gz ULZDXQRPVDZQSH-UKRRQHHQSA-N 1 3 299.459 0.878 10 0 CCAEHO COCCN(C)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113612637 349817874 /nfs/dbraw/zinc/81/78/74/349817874.db2.gz MQBCFLWYADXMIU-ZIAGYGMSSA-N 1 3 298.431 0.443 10 0 CCAEHO COCCN(C)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113612637 349817876 /nfs/dbraw/zinc/81/78/76/349817876.db2.gz MQBCFLWYADXMIU-ZIAGYGMSSA-N 1 3 298.431 0.443 10 0 CCAEHO COCCN(C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000061380677 348653151 /nfs/dbraw/zinc/65/31/51/348653151.db2.gz BQWYDOWLGWDMEN-GFCCVEGCSA-N 1 3 257.378 0.071 10 0 CCAEHO CCN1CCC[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129687815 350220512 /nfs/dbraw/zinc/22/05/12/350220512.db2.gz GCQZINBJXSLIQZ-ZDUSSCGKSA-N 1 3 282.432 0.271 10 0 CCAEHO C[C@@H](CNC(=O)N1CC[C@H](N(C)C)C1)[N@H+](C)C1CC1 ZINC000105269518 186048361 /nfs/dbraw/zinc/04/83/61/186048361.db2.gz NJAMLIJDTHDSAZ-AAEUAGOBSA-N 1 3 268.405 0.815 10 0 CCAEHO C[C@@H](CNC(=O)N1CC[C@H](N(C)C)C1)[N@@H+](C)C1CC1 ZINC000105269518 186048363 /nfs/dbraw/zinc/04/83/63/186048363.db2.gz NJAMLIJDTHDSAZ-AAEUAGOBSA-N 1 3 268.405 0.815 10 0 CCAEHO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCCC2)CCN1C ZINC000151251190 350496696 /nfs/dbraw/zinc/49/66/96/350496696.db2.gz OWJJQEPWRUQMSI-KFWWJZLASA-N 1 3 269.433 0.906 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252601346 352520062 /nfs/dbraw/zinc/52/00/62/352520062.db2.gz MHXNRLRSBODUSD-YNEHKIRRSA-N 1 3 253.390 0.927 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000253268610 352529867 /nfs/dbraw/zinc/52/98/67/352529867.db2.gz YYODTRBINYCFKK-OQMKEHIESA-N 1 3 295.427 0.681 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000253268609 352529901 /nfs/dbraw/zinc/52/99/01/352529901.db2.gz YYODTRBINYCFKK-LMOYCYGVSA-N 1 3 295.427 0.681 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH3+])CN1C1CC1 ZINC000333298322 354755647 /nfs/dbraw/zinc/75/56/47/354755647.db2.gz IQPGBMIQQUYXOY-WZRBSPASSA-N 1 3 266.389 0.744 10 0 CCAEHO O=C(NC1C[NH2+]C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000335403579 354996214 /nfs/dbraw/zinc/99/62/14/354996214.db2.gz JOVKUVABZUGSQF-GFCCVEGCSA-N 1 3 252.362 0.228 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762652 372208945 /nfs/dbraw/zinc/20/89/45/372208945.db2.gz CQTBKLBMXIZQCZ-GUTXKFCHSA-N 1 3 265.401 0.977 10 0 CCAEHO CN(CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634766729 372213771 /nfs/dbraw/zinc/21/37/71/372213771.db2.gz SFCYPRCXHPQBTE-FZMZJTMJSA-N 1 3 251.374 0.587 10 0 CCAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638071212 374621670 /nfs/dbraw/zinc/62/16/70/374621670.db2.gz HGIWKGCCTPVCMF-SDDRHHMPSA-N 1 3 257.378 0.195 10 0 CCAEHO CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116790701 285193649 /nfs/dbraw/zinc/19/36/49/285193649.db2.gz WLBONNFTKWHGRQ-ZIAGYGMSSA-N 1 3 283.416 0.650 10 0 CCAEHO C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000091291289 389022464 /nfs/dbraw/zinc/02/24/64/389022464.db2.gz ZFHOAYCMLCDZNN-QWRGUYRKSA-N 1 3 257.403 0.244 10 0 CCAEHO C[C@H](Cn1cccn1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000336819091 389024880 /nfs/dbraw/zinc/02/48/80/389024880.db2.gz YEVJILDILAUHSZ-ZIAGYGMSSA-N 1 3 266.389 0.708 10 0 CCAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306786831 389091064 /nfs/dbraw/zinc/09/10/64/389091064.db2.gz PRKPRRMWPWAVMK-DJIMGWMZSA-N 1 3 289.423 0.916 10 0 CCAEHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000384255340 397496107 /nfs/dbraw/zinc/49/61/07/397496107.db2.gz OCNAAEWJWOQQSN-KGLIPLIRSA-N 1 3 282.432 0.128 10 0 CCAEHO CS[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1N(C)C ZINC000262592994 286701553 /nfs/dbraw/zinc/70/15/53/286701553.db2.gz VMRKZJHIJPHWHK-GARJFASQSA-N 1 3 257.403 0.242 10 0 CCAEHO C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](C)CN1 ZINC000333634228 296837861 /nfs/dbraw/zinc/83/78/61/296837861.db2.gz HCSHOQKCKSLDFU-GRYCIOLGSA-N 1 3 254.378 0.520 10 0 CCAEHO CN1CC[C@@H](C[N@H+](C)[C@@H](CN)C2CCOCC2)C1 ZINC000071188399 176063215 /nfs/dbraw/zinc/06/32/15/176063215.db2.gz QKKXDFANVNXYLC-OCCSQVGLSA-N 1 3 255.406 0.624 10 0 CCAEHO CN1CC[C@@H](C[N@@H+](C)[C@@H](CN)C2CCOCC2)C1 ZINC000071188399 176063216 /nfs/dbraw/zinc/06/32/16/176063216.db2.gz QKKXDFANVNXYLC-OCCSQVGLSA-N 1 3 255.406 0.624 10 0 CCAEHO CN(C[C@H]1CC[N@H+](C)C1)CC1(CO)CCOCC1 ZINC000071191626 176069513 /nfs/dbraw/zinc/06/95/13/176069513.db2.gz LRUGBYNWZDGXGL-ZDUSSCGKSA-N 1 3 256.390 0.659 10 0 CCAEHO CN(C[C@H]1CC[N@@H+](C)C1)CC1(CO)CCOCC1 ZINC000071191626 176069514 /nfs/dbraw/zinc/06/95/14/176069514.db2.gz LRUGBYNWZDGXGL-ZDUSSCGKSA-N 1 3 256.390 0.659 10 0 CCAEHO CCNCc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nn1 ZINC000071191678 176071327 /nfs/dbraw/zinc/07/13/27/176071327.db2.gz XQIJODKJPYTMJE-GFCCVEGCSA-N 1 3 263.389 0.974 10 0 CCAEHO CCNCc1ccc(N(C)C[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000071191678 176071329 /nfs/dbraw/zinc/07/13/29/176071329.db2.gz XQIJODKJPYTMJE-GFCCVEGCSA-N 1 3 263.389 0.974 10 0 CCAEHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258502 545882387 /nfs/dbraw/zinc/88/23/87/545882387.db2.gz QQAOVYWGMHZDPX-LDYMZIIASA-N 1 3 251.334 0.339 10 0 CCAEHO CN1CCC([N@H+](C)[C@H]2C[C@@H](N)C23CCOCC3)CC1 ZINC000725264490 545884705 /nfs/dbraw/zinc/88/47/05/545884705.db2.gz QRHUIFRFNNWCOC-KGLIPLIRSA-N 1 3 267.417 0.909 10 0 CCAEHO CN1CCC([N@@H+](C)[C@H]2C[C@@H](N)C23CCOCC3)CC1 ZINC000725264490 545884709 /nfs/dbraw/zinc/88/47/09/545884709.db2.gz QRHUIFRFNNWCOC-KGLIPLIRSA-N 1 3 267.417 0.909 10 0 CCAEHO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000227433064 544834904 /nfs/dbraw/zinc/83/49/04/544834904.db2.gz DEKSNLSHDPMSTP-NQBHXWOUSA-N 1 3 253.390 0.960 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000334928246 289292380 /nfs/dbraw/zinc/29/23/80/289292380.db2.gz JAUAOETVRFZMKM-CHWSQXEVSA-N 1 3 268.405 0.864 10 0 CCAEHO CC[NH2+][C@@H](CCN1CCN([C@@H](C)CC)CC1)C(N)=O ZINC000062531904 520088669 /nfs/dbraw/zinc/08/86/69/520088669.db2.gz KIRQATCLSJTQAF-STQMWFEESA-N 1 3 270.421 0.256 10 0 CCAEHO CC[C@@H](CC[NH3+])N1CCN(CCCCCO)CC1 ZINC000051020302 522496792 /nfs/dbraw/zinc/49/67/92/522496792.db2.gz PEODGBKGACCXLA-AWEZNQCLSA-N 1 3 257.422 0.894 10 0 CCAEHO C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCN1CCCC1 ZINC000055131674 524301532 /nfs/dbraw/zinc/30/15/32/524301532.db2.gz VLBRYGPBBUEEAP-JHJVBQTASA-N 1 3 253.390 0.962 10 0 CCAEHO C[C@@H]1CC[C@H](C(=O)NCCN2CCCCC2)C[NH2+]1 ZINC000049575583 524634885 /nfs/dbraw/zinc/63/48/85/524634885.db2.gz IDQRSVXVTXMCPL-OLZOCXBDSA-N 1 3 253.390 0.977 10 0 CCAEHO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CN(C)C(C)C)C[C@@H]1C ZINC000311579016 637324901 /nfs/dbraw/zinc/32/49/01/637324901.db2.gz ODUZZASJDUUPBX-YNEHKIRRSA-N 1 3 272.389 0.428 10 0 CCAEHO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)CN(C)C(C)C)C[C@@H]1C ZINC000311579016 637324903 /nfs/dbraw/zinc/32/49/03/637324903.db2.gz ODUZZASJDUUPBX-YNEHKIRRSA-N 1 3 272.389 0.428 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000091394525 349460956 /nfs/dbraw/zinc/46/09/56/349460956.db2.gz XUOPEIFTIRXGNC-CHWSQXEVSA-N 1 3 253.390 0.929 10 0 CCAEHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 ZINC000095088001 349590014 /nfs/dbraw/zinc/59/00/14/349590014.db2.gz YCWLULSIZCNEPM-SGMGOOAPSA-N 1 3 253.390 0.947 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129688032 350220467 /nfs/dbraw/zinc/22/04/67/350220467.db2.gz GCQZINBJXSLIQZ-CYBMUJFWSA-N 1 3 282.432 0.271 10 0 CCAEHO CO[C@@H]1[C@H](C)[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C12CCC2 ZINC000262074369 294033804 /nfs/dbraw/zinc/03/38/04/294033804.db2.gz CWVLZJATRCYWSA-QNWJLWSRSA-N 1 3 254.374 0.360 10 0 CCAEHO CCOC(=O)c1cccc([C@@H]2CNCCN2CC[NH3+])c1 ZINC000616635593 365395312 /nfs/dbraw/zinc/39/53/12/365395312.db2.gz IBYRTBFFTOGGMG-AWEZNQCLSA-N 1 3 277.368 0.768 10 0 CCAEHO CO[C@@H]1C[N@H+](CCCN2CCOCC2)[C@@](C)(CN)C1 ZINC000630362934 370064551 /nfs/dbraw/zinc/06/45/51/370064551.db2.gz BXWYLEBKSJRCAP-UONOGXRCSA-N 1 3 271.405 0.147 10 0 CCAEHO CO[C@@H]1C[N@@H+](CCCN2CCOCC2)[C@@](C)(CN)C1 ZINC000630362934 370064555 /nfs/dbraw/zinc/06/45/55/370064555.db2.gz BXWYLEBKSJRCAP-UONOGXRCSA-N 1 3 271.405 0.147 10 0 CCAEHO COCCN(C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767071 372213686 /nfs/dbraw/zinc/21/36/86/372213686.db2.gz HHKIVNNBQABQEC-JSGCOSHPSA-N 1 3 269.389 0.071 10 0 CCAEHO C[NH+](C)C[C@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000572481117 291882112 /nfs/dbraw/zinc/88/21/12/291882112.db2.gz QYQVQIOPSXDUMU-HUUCEWRRSA-N 1 3 275.396 0.967 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310909000 389100221 /nfs/dbraw/zinc/10/02/21/389100221.db2.gz DQJPBHDBANPTAY-CHWSQXEVSA-N 1 3 253.390 0.912 10 0 CCAEHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)N(C)C1CC1 ZINC000220175545 389138909 /nfs/dbraw/zinc/13/89/09/389138909.db2.gz IXNUGDGOCWPKSL-DMDPSCGWSA-N 1 3 253.390 0.973 10 0 CCAEHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1(C)C ZINC000249049486 389252092 /nfs/dbraw/zinc/25/20/92/389252092.db2.gz AOZDHBKINQGMOK-BLXSCJOCSA-N 1 3 295.427 0.715 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333450627 389413628 /nfs/dbraw/zinc/41/36/28/389413628.db2.gz XMDIPXUWLKNPHT-MBNYWOFBSA-N 1 3 280.416 0.910 10 0 CCAEHO O[C@]1(CN[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000422980753 389516438 /nfs/dbraw/zinc/51/64/38/389516438.db2.gz QXLUGGHCXWXGBX-CVEARBPZSA-N 1 3 275.396 0.575 10 0 CCAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CNC2CC2)CC1 ZINC000179855246 389663250 /nfs/dbraw/zinc/66/32/50/389663250.db2.gz GWGDCMDCAPAOLI-LBPRGKRZSA-N 1 3 283.416 0.290 10 0 CCAEHO Cc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)c2ccccc2n1 ZINC000420244507 389972289 /nfs/dbraw/zinc/97/22/89/389972289.db2.gz DMYYELXLBQZFJN-NHYWBVRUSA-N 1 3 257.337 0.957 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000648153782 390315491 /nfs/dbraw/zinc/31/54/91/390315491.db2.gz NIOXRUGKFDDELQ-AAEUAGOBSA-N 1 3 251.374 0.668 10 0 CCAEHO CC1CCN(CCNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649293564 390554524 /nfs/dbraw/zinc/55/45/24/390554524.db2.gz YNEVOBRJOVWKJM-CYBMUJFWSA-N 1 3 269.389 0.071 10 0 CCAEHO CN(C)C[C@H](NC(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000040809291 397392865 /nfs/dbraw/zinc/39/28/65/397392865.db2.gz RQKVYMMZRRQQJB-HNNXBMFYSA-N 1 3 290.411 0.311 10 0 CCAEHO CS[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1N(C)C ZINC000262593002 286701766 /nfs/dbraw/zinc/70/17/66/286701766.db2.gz VMRKZJHIJPHWHK-HBNTYKKESA-N 1 3 257.403 0.242 10 0 CCAEHO O[C@]1(C[NH2+]CCn2cc(Cl)cn2)CCCNC1 ZINC000072412401 176398765 /nfs/dbraw/zinc/39/87/65/176398765.db2.gz KUCFTWOKYDBSEY-LLVKDONJSA-N 1 3 258.753 0.241 10 0 CCAEHO C[C@@H](CCC[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258174 545880946 /nfs/dbraw/zinc/88/09/46/545880946.db2.gz JIRNCOSCKKJKTM-VIFPVBQESA-N 1 3 251.334 0.341 10 0 CCAEHO C[C@H](CCC[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258173 545879633 /nfs/dbraw/zinc/87/96/33/545879633.db2.gz JIRNCOSCKKJKTM-SECBINFHSA-N 1 3 251.334 0.341 10 0 CCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262080075 544939050 /nfs/dbraw/zinc/93/90/50/544939050.db2.gz DYJVGLNZGKGWCC-IWCQGFGOSA-N 1 3 289.423 0.677 10 0 CCAEHO CC(C)(C)CCN1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262265901 277140440 /nfs/dbraw/zinc/14/04/40/277140440.db2.gz RYGAFCJAJKRLER-UHFFFAOYSA-N 1 3 253.390 0.786 10 0 CCAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188729655 278973951 /nfs/dbraw/zinc/97/39/51/278973951.db2.gz HBUYEIWFLPFXKG-NSHDSACASA-N 1 3 293.415 0.762 10 0 CCAEHO C[NH2+]CC1(CN2CCCC[C@H]2CO)CCOCC1 ZINC000052197456 521969020 /nfs/dbraw/zinc/96/90/20/521969020.db2.gz YOWWXCPQYZJLIO-ZDUSSCGKSA-N 1 3 256.390 0.849 10 0 CCAEHO CC(C)C[C@@](C)(C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643212 519285618 /nfs/dbraw/zinc/28/56/18/519285618.db2.gz FHVAGHNNZIVJAA-HNNXBMFYSA-N 1 3 270.465 0.929 10 0 CCAEHO CC(C)C[C@](C)(C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643213 519422463 /nfs/dbraw/zinc/42/24/63/519422463.db2.gz FHVAGHNNZIVJAA-OAHLLOKOSA-N 1 3 270.465 0.929 10 0 CCAEHO CC(C)CN1CCN(C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000055081808 519726497 /nfs/dbraw/zinc/72/64/97/519726497.db2.gz JFLUCDFPSLSRDO-AWEZNQCLSA-N 1 3 255.406 0.625 10 0 CCAEHO CC[C@](C)(C[NH2+]C)CN1CCN(CCN(C)C)CC1 ZINC000061653738 523464478 /nfs/dbraw/zinc/46/44/78/523464478.db2.gz LXZRLOJLAHKEKV-OAHLLOKOSA-N 1 3 270.465 0.801 10 0 CCAEHO C[C@H]1CCC[C@H](C(=O)NC2CCN(C)CC2)[C@@H]1[NH3+] ZINC000055126711 524177304 /nfs/dbraw/zinc/17/73/04/524177304.db2.gz PEWCIPVKIAKFHO-WCFLWFBJSA-N 1 3 253.390 0.960 10 0 CCAEHO C[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[N@H+](C)C1CC1 ZINC000117045942 349880872 /nfs/dbraw/zinc/88/08/72/349880872.db2.gz OGXVSHPBGKNLQB-TZMCWYRMSA-N 1 3 298.431 0.441 10 0 CCAEHO C[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[N@@H+](C)C1CC1 ZINC000117045942 349880877 /nfs/dbraw/zinc/88/08/77/349880877.db2.gz OGXVSHPBGKNLQB-TZMCWYRMSA-N 1 3 298.431 0.441 10 0 CCAEHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000252560723 137003299 /nfs/dbraw/zinc/00/32/99/137003299.db2.gz VVZASTAGEPUBLE-QNWHQSFQSA-N 1 3 267.373 0.093 10 0 CCAEHO Cc1cc2n(n1)C[C@H](CNC[C@@H](O)C[NH+]1CCCC1)CN2 ZINC000069327527 348840251 /nfs/dbraw/zinc/84/02/51/348840251.db2.gz VLOVPPYMCJRVGY-ZIAGYGMSSA-N 1 3 293.415 0.280 10 0 CCAEHO CC[N@@H+]1CCC[C@@H](NC(=O)NCCN(C)CCOC)C1 ZINC000171200643 350893585 /nfs/dbraw/zinc/89/35/85/350893585.db2.gz AUJMRRVDSRUFET-CYBMUJFWSA-N 1 3 286.420 0.348 10 0 CCAEHO CC[N@H+]1CCC[C@@H](NC(=O)NCCN(C)CCOC)C1 ZINC000171200643 350893588 /nfs/dbraw/zinc/89/35/88/350893588.db2.gz AUJMRRVDSRUFET-CYBMUJFWSA-N 1 3 286.420 0.348 10 0 CCAEHO C[C@@H](NCC1CC[NH+](CCO)CC1)c1nccn1C ZINC000178441317 351232131 /nfs/dbraw/zinc/23/21/31/351232131.db2.gz MPDFWQDHSYVRSB-GFCCVEGCSA-N 1 3 266.389 0.775 10 0 CCAEHO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188883869 351636721 /nfs/dbraw/zinc/63/67/21/351636721.db2.gz NHXLZHNSTDJYKV-NWDGAFQWSA-N 1 3 257.353 0.487 10 0 CCAEHO CC1CC[NH+](CCCNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188699170 351618706 /nfs/dbraw/zinc/61/87/06/351618706.db2.gz VVKSUGXFZGAUSP-QWHCGFSZSA-N 1 3 271.380 0.925 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000252601344 352520020 /nfs/dbraw/zinc/52/00/20/352520020.db2.gz MHXNRLRSBODUSD-UPJWGTAASA-N 1 3 253.390 0.927 10 0 CCAEHO C1C[C@H](N2CCN(C3CC[NH2+]CC3)CC2)CS1 ZINC000257709792 352554360 /nfs/dbraw/zinc/55/43/60/352554360.db2.gz NMIQDBNFCWCVAU-ZDUSSCGKSA-N 1 3 255.431 0.862 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)CN(C)CCOC ZINC000380790175 357706521 /nfs/dbraw/zinc/70/65/21/357706521.db2.gz IBOCGHJXEMANHJ-LSDHHAIUSA-N 1 3 287.448 0.342 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CN(C)C[C@H](O)CN(C)CCOC ZINC000380790175 357706525 /nfs/dbraw/zinc/70/65/25/357706525.db2.gz IBOCGHJXEMANHJ-LSDHHAIUSA-N 1 3 287.448 0.342 10 0 CCAEHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333437372 205320726 /nfs/dbraw/zinc/32/07/26/205320726.db2.gz VNZNRAPJOYHOTE-RDBSUJKOSA-N 1 3 298.431 0.225 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000085364032 295314263 /nfs/dbraw/zinc/31/42/63/295314263.db2.gz RQRCEGPZRIEYPW-CHWSQXEVSA-N 1 3 251.374 0.857 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000335285043 285265975 /nfs/dbraw/zinc/26/59/75/285265975.db2.gz HZNXJSRMPNMECX-LBPRGKRZSA-N 1 3 254.378 0.476 10 0 CCAEHO CC[N@H+](C)C[C@H](O)CN1C[C@H]2CCCCN2C[C@H]1C ZINC000311945951 389105796 /nfs/dbraw/zinc/10/57/96/389105796.db2.gz KKRFWOMGETURPI-KFWWJZLASA-N 1 3 269.433 0.858 10 0 CCAEHO CC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCCCN2C[C@H]1C ZINC000311945951 389105799 /nfs/dbraw/zinc/10/57/99/389105799.db2.gz KKRFWOMGETURPI-KFWWJZLASA-N 1 3 269.433 0.858 10 0 CCAEHO O[C@H]1CNC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000335028456 389531536 /nfs/dbraw/zinc/53/15/36/389531536.db2.gz LCTWCHLCSIYPQN-LEPBTCBTSA-N 1 3 250.386 0.981 10 0 CCAEHO C[C@H](NCC(C)(C)N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000400349055 389797369 /nfs/dbraw/zinc/79/73/69/389797369.db2.gz JCXIQFZPCLIUAV-QWHCGFSZSA-N 1 3 255.406 0.685 10 0 CCAEHO O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@H](N2CCCCC2)C1 ZINC000649322274 390579884 /nfs/dbraw/zinc/57/98/84/390579884.db2.gz KQOSDKVNIAZNSQ-KGLIPLIRSA-N 1 3 281.400 0.309 10 0 CCAEHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649293786 390554459 /nfs/dbraw/zinc/55/44/59/390554459.db2.gz ISNSPBUONSHPCD-OLZOCXBDSA-N 1 3 269.389 0.213 10 0 CCAEHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)N(C)C ZINC000152217657 286733424 /nfs/dbraw/zinc/73/34/24/286733424.db2.gz BVHUEFRGCPOWSF-RYUDHWBXSA-N 1 3 257.378 0.116 10 0 CCAEHO CN(CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000653112605 412223860 /nfs/dbraw/zinc/22/38/60/412223860.db2.gz CVXNRFQRQITCMG-NXEZZACHSA-N 1 3 279.306 0.595 10 0 CCAEHO CN1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653113885 412225828 /nfs/dbraw/zinc/22/58/28/412225828.db2.gz QYUIBXCDSYIIDD-GMTAPVOTSA-N 1 3 293.333 0.842 10 0 CCAEHO O=C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCNCC1 ZINC000035738356 172391537 /nfs/dbraw/zinc/39/15/37/172391537.db2.gz UXDXWLQKXJAGDT-RWMBFGLXSA-N 1 3 251.374 0.729 10 0 CCAEHO CC(C)[C@H](C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258546 545882273 /nfs/dbraw/zinc/88/22/73/545882273.db2.gz RYIYEIGMUPDWBM-JTQLQIEISA-N 1 3 251.334 0.197 10 0 CCAEHO CC(C)[C@H](CNC(=O)C[C@H]([NH3+])C(C)C)N1CCN(C)CC1 ZINC000136424585 544639515 /nfs/dbraw/zinc/63/95/15/544639515.db2.gz UCIHOSYFJCJKRI-GJZGRUSLSA-N 1 3 298.475 0.748 10 0 CCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250356571 544922085 /nfs/dbraw/zinc/92/20/85/544922085.db2.gz OVNZKENLXYJEKF-AVGNSLFASA-N 1 3 253.390 0.914 10 0 CCAEHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250643839 544924054 /nfs/dbraw/zinc/92/40/54/544924054.db2.gz UOYRYBCWYNIUPI-AGIUHOORSA-N 1 3 253.390 0.819 10 0 CCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262080073 544939141 /nfs/dbraw/zinc/93/91/41/544939141.db2.gz DYJVGLNZGKGWCC-BSWAZPDLSA-N 1 3 289.423 0.677 10 0 CCAEHO CN(C)C[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333491969 289216129 /nfs/dbraw/zinc/21/61/29/289216129.db2.gz DKSQWODHHFHBBA-OLZOCXBDSA-N 1 3 284.404 0.101 10 0 CCAEHO CN1CC[C@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@H]2C1 ZINC000333625408 290229837 /nfs/dbraw/zinc/22/98/37/290229837.db2.gz FTLNDEMBGBRDRH-RYUDHWBXSA-N 1 3 266.389 0.603 10 0 CCAEHO CCN1CCC(N(C)C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000163888680 521556269 /nfs/dbraw/zinc/55/62/69/521556269.db2.gz FLZLYKHBKZOIBK-LLVKDONJSA-N 1 3 253.390 0.785 10 0 CCAEHO CNCc1c(C)nn(C)c1N1CCC[C@@H]1C[NH+](C)C ZINC000061646047 522101778 /nfs/dbraw/zinc/10/17/78/522101778.db2.gz NFORFKQZVUZDJF-GFCCVEGCSA-N 1 3 265.405 0.978 10 0 CCAEHO CSCC[C@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643128 525566434 /nfs/dbraw/zinc/56/64/34/525566434.db2.gz UHKSQEZQKJEQLN-CYBMUJFWSA-N 1 3 274.478 0.246 10 0 CCAEHO [NH3+]CC1CCC(C(=O)NCCN2CCCC2)CC1 ZINC000055160839 527165221 /nfs/dbraw/zinc/16/52/21/527165221.db2.gz OJEWDJPNPIBCHV-UHFFFAOYSA-N 1 3 253.390 0.964 10 0 CCAEHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261708100 535728556 /nfs/dbraw/zinc/72/85/56/535728556.db2.gz FZYUVCXCYLOPDI-RRFJBIMHSA-N 1 3 296.459 0.504 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000136483634 614225049 /nfs/dbraw/zinc/22/50/49/614225049.db2.gz CBXNJPMWCZEMMH-JHJVBQTASA-N 1 3 269.389 0.339 10 0 CCAEHO C[C@H](Cc1nc([C@H]2CNCCN2C)no1)C1CC[NH2+]CC1 ZINC000263312599 137064023 /nfs/dbraw/zinc/06/40/23/137064023.db2.gz YZHNUPAWHRYPIQ-DGCLKSJQSA-N 1 3 293.415 0.824 10 0 CCAEHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000037019535 348180522 /nfs/dbraw/zinc/18/05/22/348180522.db2.gz IACRMPDZKPFPMJ-STQMWFEESA-N 1 3 263.341 0.410 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000070542348 348892568 /nfs/dbraw/zinc/89/25/68/348892568.db2.gz XUYKCKLLMIFQFT-CYBMUJFWSA-N 1 3 261.369 0.964 10 0 CCAEHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H]([NH+](C)C)C2)C1(C)C ZINC000157231016 350642184 /nfs/dbraw/zinc/64/21/84/350642184.db2.gz NCYGGACAYMEIHQ-ZOWXZIJZSA-N 1 3 283.416 0.681 10 0 CCAEHO CN(C)CCNC(=O)[C@H]1C[N@H+](C)CC12CCOCC2 ZINC000169792436 350840195 /nfs/dbraw/zinc/84/01/95/350840195.db2.gz NMQBMABRPZTPPP-GFCCVEGCSA-N 1 3 269.389 0.023 10 0 CCAEHO CN(C)CCNC(=O)[C@H]1C[N@@H+](C)CC12CCOCC2 ZINC000169792436 350840198 /nfs/dbraw/zinc/84/01/98/350840198.db2.gz NMQBMABRPZTPPP-GFCCVEGCSA-N 1 3 269.389 0.023 10 0 CCAEHO C[C@H](O)C[NH+]1CCC(CN(C)C[C@@H](O)C(F)(F)F)CC1 ZINC000248584315 352446598 /nfs/dbraw/zinc/44/65/98/352446598.db2.gz PNRFODHIORXHFT-CMPLNLGQSA-N 1 3 298.349 0.934 10 0 CCAEHO CN1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250633645 352507169 /nfs/dbraw/zinc/50/71/69/352507169.db2.gz RPDZOMYCTPPDOJ-CHWSQXEVSA-N 1 3 253.390 0.834 10 0 CCAEHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333481135 354760222 /nfs/dbraw/zinc/76/02/22/354760222.db2.gz CCLKWYZRJASBFW-HZSPNIEDSA-N 1 3 298.431 0.225 10 0 CCAEHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000335037016 354943986 /nfs/dbraw/zinc/94/39/86/354943986.db2.gz ZMLVXCUGBUMZNL-KBPBESRZSA-N 1 3 265.401 0.927 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634770870 372220527 /nfs/dbraw/zinc/22/05/27/372220527.db2.gz ZSFYKDFMFARWOL-OBJOEFQTSA-N 1 3 251.374 0.539 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638107408 374674113 /nfs/dbraw/zinc/67/41/13/374674113.db2.gz FHGUNQHESBVDII-CHWSQXEVSA-N 1 3 251.374 0.977 10 0 CCAEHO [NH3+]C[C@@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCCOC1 ZINC000638109374 374675589 /nfs/dbraw/zinc/67/55/89/374675589.db2.gz ULRMUVAQXUZEGB-OCCSQVGLSA-N 1 3 267.373 0.049 10 0 CCAEHO CCC1([NH+](C)C)CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000638974875 375490345 /nfs/dbraw/zinc/49/03/45/375490345.db2.gz CZYFUUGNAVTCSZ-UHFFFAOYSA-N 1 3 283.416 0.827 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000251428479 389262748 /nfs/dbraw/zinc/26/27/48/389262748.db2.gz TXLJWMOFVZQARW-STQMWFEESA-N 1 3 251.374 0.683 10 0 CCAEHO CCC[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262603216 389289576 /nfs/dbraw/zinc/28/95/76/389289576.db2.gz ZIHBLFWPFLIFFA-QWHCGFSZSA-N 1 3 271.405 0.467 10 0 CCAEHO CCC[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262603216 389289578 /nfs/dbraw/zinc/28/95/78/389289578.db2.gz ZIHBLFWPFLIFFA-QWHCGFSZSA-N 1 3 271.405 0.467 10 0 CCAEHO CN(C)Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000647039671 390763400 /nfs/dbraw/zinc/76/34/00/390763400.db2.gz VUIBLXSZAZEVHT-ZIAGYGMSSA-N 1 3 277.368 0.058 10 0 CCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2(N)CCCC2)CC1 ZINC000179857253 287085024 /nfs/dbraw/zinc/08/50/24/287085024.db2.gz SHHQCSXXSQENRU-CYBMUJFWSA-N 1 3 297.443 0.809 10 0 CCAEHO C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])N(C)C1CC1 ZINC000300408875 411743139 /nfs/dbraw/zinc/74/31/39/411743139.db2.gz DEKSNLSHDPMSTP-MDZLAQPJSA-N 1 3 253.390 0.960 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCC2(CNC2)O1 ZINC000662264519 414702325 /nfs/dbraw/zinc/70/23/25/414702325.db2.gz SGJRNJPMOYHUGF-HZSPNIEDSA-N 1 3 265.401 0.676 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H]1CCC2(CNC2)O1 ZINC000662264519 414702326 /nfs/dbraw/zinc/70/23/26/414702326.db2.gz SGJRNJPMOYHUGF-HZSPNIEDSA-N 1 3 265.401 0.676 10 0 CCAEHO O[C@@]1(C[NH2+]CCn2cc(Cl)cn2)CCCNC1 ZINC000072412400 176398919 /nfs/dbraw/zinc/39/89/19/176398919.db2.gz KUCFTWOKYDBSEY-NSHDSACASA-N 1 3 258.753 0.241 10 0 CCAEHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258499 545882399 /nfs/dbraw/zinc/88/23/99/545882399.db2.gz QQAOVYWGMHZDPX-GZMMTYOYSA-N 1 3 251.334 0.339 10 0 CCAEHO CC(C)(C)[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258278 545882629 /nfs/dbraw/zinc/88/26/29/545882629.db2.gz MPXHRJJQWUMXNM-SNVBAGLBSA-N 1 3 251.334 0.339 10 0 CCAEHO CC(=O)N1CCN(C2CCC3(C[C@H]3[NH3+])CC2)CC1 ZINC000725270110 545888349 /nfs/dbraw/zinc/88/83/49/545888349.db2.gz HHHWSPMOTYINRX-ROKHWSDSSA-N 1 3 251.374 0.811 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000089456811 544513730 /nfs/dbraw/zinc/51/37/30/544513730.db2.gz JQJGWLRIWRXTBM-YNEHKIRRSA-N 1 3 251.374 0.668 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000136424612 544638686 /nfs/dbraw/zinc/63/86/86/544638686.db2.gz UCIHOSYFJCJKRI-HUUCEWRRSA-N 1 3 298.475 0.748 10 0 CCAEHO CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)N1CCCCC1 ZINC000262146365 544941805 /nfs/dbraw/zinc/94/18/05/544941805.db2.gz HMJMVYGWKAGTTF-MGPQQGTHSA-N 1 3 283.416 0.193 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261699987 288121645 /nfs/dbraw/zinc/12/16/45/288121645.db2.gz FKOQLQPBKQNJTR-OXHZDVMGSA-N 1 3 265.401 0.960 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000333394483 288128037 /nfs/dbraw/zinc/12/80/37/288128037.db2.gz PERNYEFLTNGHDV-KGYLQXTDSA-N 1 3 266.389 0.602 10 0 CCAEHO CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)N1CCCCC1 ZINC000262146356 280173589 /nfs/dbraw/zinc/17/35/89/280173589.db2.gz HMJMVYGWKAGTTF-BFHYXJOUSA-N 1 3 283.416 0.193 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)CN(C)C1CC1 ZINC000336811821 288313849 /nfs/dbraw/zinc/31/38/49/288313849.db2.gz OPUWDWQQSVHQNH-VHDGCEQUSA-N 1 3 267.417 0.610 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)CN(C)C1CC1 ZINC000336811821 288313850 /nfs/dbraw/zinc/31/38/50/288313850.db2.gz OPUWDWQQSVHQNH-VHDGCEQUSA-N 1 3 267.417 0.610 10 0 CCAEHO C[C@H](C(=O)N(C)C[C@H]1CCCN(C)C1)C1C[NH2+]C1 ZINC000262379361 289252876 /nfs/dbraw/zinc/25/28/76/289252876.db2.gz MUEJCRSWOJXPBU-RYUDHWBXSA-N 1 3 253.390 0.642 10 0 CCAEHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000094646937 300570104 /nfs/dbraw/zinc/57/01/04/300570104.db2.gz HKYXZIORMBVPRQ-DGCLKSJQSA-N 1 3 253.390 0.927 10 0 CCAEHO C(CN1CC[C@@H]2OCCN[C@@H]2C1)C[NH+]1CCCCC1 ZINC000577759387 335398201 /nfs/dbraw/zinc/39/82/01/335398201.db2.gz DPEHQYFYFFHDAV-CABCVRRESA-N 1 3 267.417 0.925 10 0 CCAEHO CCCNCc1cn(CC[N@H+](CC)CCOC)nn1 ZINC000052542721 519961412 /nfs/dbraw/zinc/96/14/12/519961412.db2.gz AAHXWLSOHXDZNL-UHFFFAOYSA-N 1 3 269.393 0.746 10 0 CCAEHO CCCNCc1cn(CC[N@@H+](CC)CCOC)nn1 ZINC000052542721 519961425 /nfs/dbraw/zinc/96/14/25/519961425.db2.gz AAHXWLSOHXDZNL-UHFFFAOYSA-N 1 3 269.393 0.746 10 0 CCAEHO CCO[C@@H](C[NH3+])CCN1CCCN(C(C)=O)CC1 ZINC000062741165 520306293 /nfs/dbraw/zinc/30/62/93/520306293.db2.gz JRYLWRMIKGVDFB-CYBMUJFWSA-N 1 3 257.378 0.295 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049630792 520688149 /nfs/dbraw/zinc/68/81/49/520688149.db2.gz NJDODAZAHWFMOF-LBPRGKRZSA-N 1 3 277.434 0.390 10 0 CCAEHO COCCN(C)CCN1CC[C@H](C[NH2+]C2CC2)C1 ZINC000061379292 523584193 /nfs/dbraw/zinc/58/41/93/523584193.db2.gz ZWHNFYCYKQPBDQ-CYBMUJFWSA-N 1 3 255.406 0.639 10 0 CCAEHO COCCN(C)CCNC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000061401432 523596924 /nfs/dbraw/zinc/59/69/24/523596924.db2.gz HAUHXUPPVQWKJJ-FRRDWIJNSA-N 1 3 271.405 0.444 10 0 CCAEHO CC[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000616569680 545103095 /nfs/dbraw/zinc/10/30/95/545103095.db2.gz JLPYBCSNTVCVCM-YPMHNXCESA-N 1 3 253.390 0.833 10 0 CCAEHO [NH3+]C1CCC(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000091667910 649708493 /nfs/dbraw/zinc/70/84/93/649708493.db2.gz PYLYXKNEUBUWOD-PQAZSJQKSA-N 1 3 281.400 0.483 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000251272981 649808629 /nfs/dbraw/zinc/80/86/29/649808629.db2.gz CBXNJPMWCZEMMH-YNEHKIRRSA-N 1 3 269.389 0.339 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000252651476 649830764 /nfs/dbraw/zinc/83/07/64/649830764.db2.gz OLQHRMIRGOADRA-CRWXNKLISA-N 1 3 281.400 0.354 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129800297 350223163 /nfs/dbraw/zinc/22/31/63/350223163.db2.gz LEEWSSXYKJKVDH-AWEZNQCLSA-N 1 3 296.459 0.613 10 0 CCAEHO CC[NH+](CC)CCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000181371776 351314305 /nfs/dbraw/zinc/31/43/05/351314305.db2.gz GVXJJLSBJIVTJW-HNNXBMFYSA-N 1 3 296.459 0.567 10 0 CCAEHO O=C(NCC[C@@H]1CCC[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC000188185481 351578824 /nfs/dbraw/zinc/57/88/24/351578824.db2.gz VDGWXDPSEHJNSI-JTQLQIEISA-N 1 3 277.372 0.175 10 0 CCAEHO O=C(NCc1ccc2c(c1)CNC2)[C@H]1CCC[NH2+]C1 ZINC000188766588 351626480 /nfs/dbraw/zinc/62/64/80/351626480.db2.gz CWKSTPDABHQLJN-ZDUSSCGKSA-N 1 3 259.353 0.906 10 0 CCAEHO CC[NH+](CC)CCCN1CCO[C@H](CN(C)C)C1 ZINC000191786626 351772832 /nfs/dbraw/zinc/77/28/32/351772832.db2.gz TWLNBGWPWYPZPY-CQSZACIVSA-N 1 3 257.422 0.981 10 0 CCAEHO CN1C[C@@H]2C[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193609057 351834919 /nfs/dbraw/zinc/83/49/19/351834919.db2.gz UGTVWOFLJJVPCO-TXEJJXNPSA-N 1 3 294.399 0.200 10 0 CCAEHO CN1C[C@@H]2C[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@@H]2C1 ZINC000193609057 351834922 /nfs/dbraw/zinc/83/49/22/351834922.db2.gz UGTVWOFLJJVPCO-TXEJJXNPSA-N 1 3 294.399 0.200 10 0 CCAEHO CC[N@@H+]1CC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000335236791 354992148 /nfs/dbraw/zinc/99/21/48/354992148.db2.gz HQJCTPIKZJXJIH-GFCCVEGCSA-N 1 3 266.389 0.570 10 0 CCAEHO CC[N@H+]1CC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000335236791 354992153 /nfs/dbraw/zinc/99/21/53/354992153.db2.gz HQJCTPIKZJXJIH-GFCCVEGCSA-N 1 3 266.389 0.570 10 0 CCAEHO CCOC(=O)c1cccc([C@H]2CNCCN2CC[NH3+])c1 ZINC000616635995 365396078 /nfs/dbraw/zinc/39/60/78/365396078.db2.gz IBYRTBFFTOGGMG-CQSZACIVSA-N 1 3 277.368 0.768 10 0 CCAEHO CO[C@@H]1C[N@H+](CCCN2CCOCC2)[C@](C)(CN)C1 ZINC000630362917 370064513 /nfs/dbraw/zinc/06/45/13/370064513.db2.gz BXWYLEBKSJRCAP-KBPBESRZSA-N 1 3 271.405 0.147 10 0 CCAEHO CO[C@@H]1C[N@@H+](CCCN2CCOCC2)[C@](C)(CN)C1 ZINC000630362917 370064516 /nfs/dbraw/zinc/06/45/16/370064516.db2.gz BXWYLEBKSJRCAP-KBPBESRZSA-N 1 3 271.405 0.147 10 0 CCAEHO CO[C@H]1C[N@H+](CCCN2CCOCC2)[C@@](C)(CN)C1 ZINC000630362937 370064599 /nfs/dbraw/zinc/06/45/99/370064599.db2.gz BXWYLEBKSJRCAP-ZIAGYGMSSA-N 1 3 271.405 0.147 10 0 CCAEHO CO[C@H]1C[N@@H+](CCCN2CCOCC2)[C@@](C)(CN)C1 ZINC000630362937 370064601 /nfs/dbraw/zinc/06/46/01/370064601.db2.gz BXWYLEBKSJRCAP-ZIAGYGMSSA-N 1 3 271.405 0.147 10 0 CCAEHO C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)N(C)C1CC1 ZINC000333358163 205250041 /nfs/dbraw/zinc/25/00/41/205250041.db2.gz KRTIULIMRXNWEZ-NWDGAFQWSA-N 1 3 268.405 0.910 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638727489 375324039 /nfs/dbraw/zinc/32/40/39/375324039.db2.gz INWMHLHRYVKGPT-IVZWLZJFSA-N 1 3 279.306 0.595 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000335286176 208106436 /nfs/dbraw/zinc/10/64/36/208106436.db2.gz WNSZCEPBQCZODR-HIFRSBDPSA-N 1 3 280.416 0.866 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@@]2(CC)CC[NH2+]C2)C1 ZINC000062898893 285268203 /nfs/dbraw/zinc/26/82/03/285268203.db2.gz JMYSRIUPPUGGLZ-JSGCOSHPSA-N 1 3 253.390 0.977 10 0 CCAEHO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310909007 389100097 /nfs/dbraw/zinc/10/00/97/389100097.db2.gz DQJPBHDBANPTAY-QWHCGFSZSA-N 1 3 253.390 0.912 10 0 CCAEHO CC(C)(C)[C@@H](O)CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000324483755 389126297 /nfs/dbraw/zinc/12/62/97/389126297.db2.gz JPWNJZWTLSYFKX-OLZOCXBDSA-N 1 3 258.406 0.830 10 0 CCAEHO C[C@@H]1CN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000333425409 389412591 /nfs/dbraw/zinc/41/25/91/389412591.db2.gz TWMWBZDLSSQRAZ-RSLMWUCJSA-N 1 3 266.389 0.458 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333938885 389450554 /nfs/dbraw/zinc/45/05/54/389450554.db2.gz MWEFUTCVLURYAO-RNJOBUHISA-N 1 3 266.389 0.459 10 0 CCAEHO CCN1CCC(N(C)C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649285179 390550924 /nfs/dbraw/zinc/55/09/24/390550924.db2.gz RINLDXSFNRZFAL-LBPRGKRZSA-N 1 3 269.389 0.165 10 0 CCAEHO COC[C@@]1(C(=O)NCCN2CCC(C)CC2)CCC[NH2+]1 ZINC000649293345 390553851 /nfs/dbraw/zinc/55/38/51/390553851.db2.gz NKVCKQCGQIUFIS-OAHLLOKOSA-N 1 3 283.416 0.603 10 0 CCAEHO COC[C@]1(C(=O)N[C@@H](CC(C)C)CN(C)C)CCC[NH2+]1 ZINC000649298870 390558855 /nfs/dbraw/zinc/55/88/55/390558855.db2.gz DGLKIIZQBVAUGJ-ZFWWWQNUSA-N 1 3 285.432 0.848 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CNCCOC2)C1 ZINC000662845076 414836079 /nfs/dbraw/zinc/83/60/79/414836079.db2.gz DGUBDCPMYZFZPQ-QWHCGFSZSA-N 1 3 283.416 0.459 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CNCCOC2)C1 ZINC000662845076 414836083 /nfs/dbraw/zinc/83/60/83/414836083.db2.gz DGUBDCPMYZFZPQ-QWHCGFSZSA-N 1 3 283.416 0.459 10 0 CCAEHO CCN1CCN(C[C@H](CC[NH3+])N2CCCCC2)CC1 ZINC000076705778 177065436 /nfs/dbraw/zinc/06/54/36/177065436.db2.gz USBYMSORKLYEPV-HNNXBMFYSA-N 1 3 268.449 0.827 10 0 CCAEHO CCC[NH+]1CCC2(CC1)[C@@H](N)CS(=O)(=O)N2CC ZINC000725256559 545879529 /nfs/dbraw/zinc/87/95/29/545879529.db2.gz URNOAJOPOLQMNQ-NSHDSACASA-N 1 3 275.418 0.224 10 0 CCAEHO C(CN1CCN2CCCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000094439567 544544683 /nfs/dbraw/zinc/54/46/83/544544683.db2.gz DUNHQFDIXLDBLY-AWEZNQCLSA-N 1 3 252.406 0.062 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250219613 544922309 /nfs/dbraw/zinc/92/23/09/544922309.db2.gz DPVLBWQAXFMRDX-AGIUHOORSA-N 1 3 253.390 0.962 10 0 CCAEHO CC(C)[NH+]1CCC(C(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000174922762 277581825 /nfs/dbraw/zinc/58/18/25/277581825.db2.gz PDVYRDNJXNFCLQ-OAHLLOKOSA-N 1 3 297.443 0.896 10 0 CCAEHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333672160 289015728 /nfs/dbraw/zinc/01/57/28/289015728.db2.gz NHDZGXNMGAUABO-QJPTWQEYSA-N 1 3 254.378 0.520 10 0 CCAEHO CO[C@@H](CN)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000227370784 293514287 /nfs/dbraw/zinc/51/42/87/293514287.db2.gz WYGQDLIMXAFBPA-LBPRGKRZSA-N 1 3 255.362 0.047 10 0 CCAEHO CCCC[C@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643144 521189087 /nfs/dbraw/zinc/18/90/87/521189087.db2.gz QNQWMTQVJNTZAM-CQSZACIVSA-N 1 3 256.438 0.683 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](CN(C)C)C(C)C)C1 ZINC000049220434 523742199 /nfs/dbraw/zinc/74/21/99/523742199.db2.gz AHHNIUSFRAYLCQ-TUAOUCFPSA-N 1 3 257.378 0.066 10 0 CCAEHO O=S(=O)(C1CC[NH2+]CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000069051530 527163934 /nfs/dbraw/zinc/16/39/34/527163934.db2.gz BINMKNPZSDGXDG-GFCCVEGCSA-N 1 3 287.429 0.238 10 0 CCAEHO [NH3+]CCCCN1CCN(CCn2cccn2)CC1 ZINC000049313893 527175740 /nfs/dbraw/zinc/17/57/40/527175740.db2.gz OEJKHZAOOVVFCC-UHFFFAOYSA-N 1 3 251.378 0.240 10 0 CCAEHO Cn1ncc(CN)c1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000675055969 545320601 /nfs/dbraw/zinc/32/06/01/545320601.db2.gz FPQYNOJOTCLLFY-GFCCVEGCSA-N 1 3 251.378 0.405 10 0 CCAEHO CC(C)N1CCN(Cc2c(C[NH3+])cnn2C)CC1 ZINC000675056015 545320687 /nfs/dbraw/zinc/32/06/87/545320687.db2.gz IAXAQIXUJDQYAU-UHFFFAOYSA-N 1 3 251.378 0.405 10 0 CCAEHO [NH3+]C1CCC(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000091667911 649708999 /nfs/dbraw/zinc/70/89/99/649708999.db2.gz PYLYXKNEUBUWOD-HOAMVYINSA-N 1 3 281.400 0.483 10 0 CCAEHO C[C@@H](CNC(=O)C1C[NH2+]C1)N(C)Cc1ccccc1 ZINC000263303526 137063388 /nfs/dbraw/zinc/06/33/88/137063388.db2.gz NXPYFHXNPAGJIZ-LBPRGKRZSA-N 1 3 261.369 0.843 10 0 CCAEHO CCN(CC)CC[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245608071 352331020 /nfs/dbraw/zinc/33/10/20/352331020.db2.gz KQCKDLLETVWQQW-CABCVRRESA-N 1 3 269.433 0.981 10 0 CCAEHO CCN(CC)CC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000245608071 352331021 /nfs/dbraw/zinc/33/10/21/352331021.db2.gz KQCKDLLETVWQQW-CABCVRRESA-N 1 3 269.433 0.981 10 0 CCAEHO C[C@@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000247111307 352400203 /nfs/dbraw/zinc/40/02/03/352400203.db2.gz QPTKIVSPBWRTBA-HZSPNIEDSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000247111307 352400205 /nfs/dbraw/zinc/40/02/05/352400205.db2.gz QPTKIVSPBWRTBA-HZSPNIEDSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)N1CCC(C)CC1 ZINC000333833549 354802167 /nfs/dbraw/zinc/80/21/67/354802167.db2.gz TYAMIIBXJSJDAZ-RDBSUJKOSA-N 1 3 298.431 0.081 10 0 CCAEHO CN1CC=C(CNC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333784566 354792960 /nfs/dbraw/zinc/79/29/60/354792960.db2.gz FEIUREBVLVQIJS-ZDUSSCGKSA-N 1 3 266.389 0.690 10 0 CCAEHO CC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000335236799 354992315 /nfs/dbraw/zinc/99/23/15/354992315.db2.gz HQJCTPIKZJXJIH-LBPRGKRZSA-N 1 3 266.389 0.570 10 0 CCAEHO CC[N@H+]1CC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000335236799 354992318 /nfs/dbraw/zinc/99/23/18/354992318.db2.gz HQJCTPIKZJXJIH-LBPRGKRZSA-N 1 3 266.389 0.570 10 0 CCAEHO C[N@H+](C[C@H](O)CN1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000336811387 355186038 /nfs/dbraw/zinc/18/60/38/355186038.db2.gz MSSVFMFAQKTQII-CABCVRRESA-N 1 3 267.417 0.612 10 0 CCAEHO C[N@@H+](C[C@H](O)CN1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000336811387 355186041 /nfs/dbraw/zinc/18/60/41/355186041.db2.gz MSSVFMFAQKTQII-CABCVRRESA-N 1 3 267.417 0.612 10 0 CCAEHO CC(=O)Nc1cccc([C@@H]2CNCCN2CC[NH3+])c1 ZINC000616635941 365395441 /nfs/dbraw/zinc/39/54/41/365395441.db2.gz NWDDVDGUBDRAGE-AWEZNQCLSA-N 1 3 262.357 0.550 10 0 CCAEHO [NH3+]CCN1CCNC[C@@H]1c1cccc2ccnnc21 ZINC000616637482 365397124 /nfs/dbraw/zinc/39/71/24/365397124.db2.gz XQEUFSKMJDZIJA-CYBMUJFWSA-N 1 3 257.341 0.535 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762653 372209186 /nfs/dbraw/zinc/20/91/86/372209186.db2.gz CQTBKLBMXIZQCZ-YDHLFZDLSA-N 1 3 265.401 0.977 10 0 CCAEHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3CCCN3C[C@H]2C)C1 ZINC000638115839 374681842 /nfs/dbraw/zinc/68/18/42/374681842.db2.gz JPKFNDHOIYYTRK-CXTNEJHOSA-N 1 3 281.400 0.449 10 0 CCAEHO CCN(CCNC(=O)C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000219909839 389138693 /nfs/dbraw/zinc/13/86/93/389138693.db2.gz DCIAFDAXUYJOKM-GFCCVEGCSA-N 1 3 253.390 0.977 10 0 CCAEHO CC[C@@H](O)CN1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161937914 389412177 /nfs/dbraw/zinc/41/21/77/389412177.db2.gz CFHSOVJCHIRUSE-LSDHHAIUSA-N 1 3 269.433 0.859 10 0 CCAEHO CC[C@@H](O)CN1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161937914 389412180 /nfs/dbraw/zinc/41/21/80/389412180.db2.gz CFHSOVJCHIRUSE-LSDHHAIUSA-N 1 3 269.433 0.859 10 0 CCAEHO COC[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CCC[NH2+]1 ZINC000649328096 390585857 /nfs/dbraw/zinc/58/58/57/390585857.db2.gz XJMMOFMIADJPIW-GXTWGEPZSA-N 1 3 267.373 0.062 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649328337 390586183 /nfs/dbraw/zinc/58/61/83/390586183.db2.gz PLWBZLPMYATRAQ-QWHCGFSZSA-N 1 3 269.389 0.165 10 0 CCAEHO CN(C)CCOc1cc(CNC(=O)[C@H]2CCC[NH2+]2)ccn1 ZINC000237193273 131012487 /nfs/dbraw/zinc/01/24/87/131012487.db2.gz ZRVKKWHVTYEKGK-CYBMUJFWSA-N 1 3 292.383 0.390 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000258328332 397440673 /nfs/dbraw/zinc/44/06/73/397440673.db2.gz DNCCWCYHWFRURD-VXGBXAGGSA-N 1 3 254.378 0.522 10 0 CCAEHO C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)CN1 ZINC000333634230 296851423 /nfs/dbraw/zinc/85/14/23/296851423.db2.gz HCSHOQKCKSLDFU-UTUOFQBUSA-N 1 3 254.378 0.520 10 0 CCAEHO C[NH+](C)[C@H]1CCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662789500 414795460 /nfs/dbraw/zinc/79/54/60/414795460.db2.gz YCZWDABYYXDBHC-NSHDSACASA-N 1 3 251.374 0.811 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2(N)CCOCC2)C1 ZINC000662846259 414838632 /nfs/dbraw/zinc/83/86/32/414838632.db2.gz OTDLICIPDHGLIU-GFCCVEGCSA-N 1 3 283.416 0.731 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2(N)CCOCC2)C1 ZINC000662846259 414838636 /nfs/dbraw/zinc/83/86/36/414838636.db2.gz OTDLICIPDHGLIU-GFCCVEGCSA-N 1 3 283.416 0.731 10 0 CCAEHO COC[C@]1(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851591 414841665 /nfs/dbraw/zinc/84/16/65/414841665.db2.gz BXJZGQGIVNXCIX-DOMZBBRYSA-N 1 3 283.416 0.744 10 0 CCAEHO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CCCNC1 ZINC000665230872 415569345 /nfs/dbraw/zinc/56/93/45/415569345.db2.gz XKXXWZKBOLQANY-NEPJUHHUSA-N 1 3 277.434 0.246 10 0 CCAEHO c1cc(NC[C@@H]2CSCCN2)n(C2C[NH2+]C2)n1 ZINC000725258010 545880204 /nfs/dbraw/zinc/88/02/04/545880204.db2.gz CWASLOYRZMMEHS-SECBINFHSA-N 1 3 253.375 0.144 10 0 CCAEHO CC(C)C[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258649 545881915 /nfs/dbraw/zinc/88/19/15/545881915.db2.gz VXXIRCSMSBWVIQ-JTQLQIEISA-N 1 3 251.334 0.339 10 0 CCAEHO CC[C@@H]([NH3+])CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258270 545882499 /nfs/dbraw/zinc/88/24/99/545882499.db2.gz MIKRTOXMVREDAJ-SECBINFHSA-N 1 3 251.334 0.483 10 0 CCAEHO C[NH+](C)CCn1nnc([C@@H]2CCCCO2)c1CN ZINC000725269278 545886598 /nfs/dbraw/zinc/88/65/98/545886598.db2.gz OANLNFSXVSBUID-NSHDSACASA-N 1 3 253.350 0.540 10 0 CCAEHO CC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)N(C)C ZINC000152217774 287469878 /nfs/dbraw/zinc/46/98/78/287469878.db2.gz BVHUEFRGCPOWSF-NWDGAFQWSA-N 1 3 257.378 0.116 10 0 CCAEHO CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458278 544514538 /nfs/dbraw/zinc/51/45/38/544514538.db2.gz PEEXCWIGFLXXDM-YPMHNXCESA-N 1 3 253.390 0.962 10 0 CCAEHO CN(C)C(=O)CN1CCC(C2CC[NH2+]CC2)CC1 ZINC000032500605 288956714 /nfs/dbraw/zinc/95/67/14/288956714.db2.gz WSJVYZOXAZCUGX-UHFFFAOYSA-N 1 3 253.390 0.786 10 0 CCAEHO [NH3+][C@H]1CCC[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000085364035 295338661 /nfs/dbraw/zinc/33/86/61/295338661.db2.gz RQRCEGPZRIEYPW-OLZOCXBDSA-N 1 3 251.374 0.857 10 0 CCAEHO C[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCCN1 ZINC000334590171 300756992 /nfs/dbraw/zinc/75/69/92/300756992.db2.gz NCEDGBALGSKFPY-KGLIPLIRSA-N 1 3 251.374 0.731 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)CCC[NH2+]C(C)C ZINC000049641506 520688133 /nfs/dbraw/zinc/68/81/33/520688133.db2.gz JZEXHBMBCDOVBX-UHFFFAOYSA-N 1 3 279.450 0.636 10 0 CCAEHO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCN1CCCC1 ZINC000055131669 524391876 /nfs/dbraw/zinc/39/18/76/524391876.db2.gz VLBRYGPBBUEEAP-FRRDWIJNSA-N 1 3 253.390 0.962 10 0 CCAEHO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C1CNCNC1 ZINC000669384843 545206280 /nfs/dbraw/zinc/20/62/80/545206280.db2.gz JFESKUDHTZKLEP-VXGBXAGGSA-N 1 3 284.404 0.256 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000251272978 649808592 /nfs/dbraw/zinc/80/85/92/649808592.db2.gz CBXNJPMWCZEMMH-RWMBFGLXSA-N 1 3 269.389 0.339 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252545660 649828303 /nfs/dbraw/zinc/82/83/03/649828303.db2.gz JPEIBLIDBMJXNY-IHRRRGAJSA-N 1 3 281.400 0.356 10 0 CCAEHO CN(C)CCOCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300424753 282108609 /nfs/dbraw/zinc/10/86/09/282108609.db2.gz IXFFUMZHVFGCDN-JHJVBQTASA-N 1 3 256.390 0.968 10 0 CCAEHO C[C@H](CNC(=O)NC[C@@H]1CCCN1C)[N@H+](C)C1CC1 ZINC000105191968 349721516 /nfs/dbraw/zinc/72/15/16/349721516.db2.gz BVIKSNDSRQFQBS-YPMHNXCESA-N 1 3 268.405 0.863 10 0 CCAEHO C[C@H](CNC(=O)NC[C@@H]1CCCN1C)[N@@H+](C)C1CC1 ZINC000105191968 349721518 /nfs/dbraw/zinc/72/15/18/349721518.db2.gz BVIKSNDSRQFQBS-YPMHNXCESA-N 1 3 268.405 0.863 10 0 CCAEHO CO[C@H]1C[C@H](CO)[N@H+](CCCN2CCCCC2)C1 ZINC000344683483 137207643 /nfs/dbraw/zinc/20/76/43/137207643.db2.gz UXBVJUJBXKTAOJ-KGLIPLIRSA-N 1 3 256.390 0.944 10 0 CCAEHO CO[C@H]1C[C@H](CO)[N@@H+](CCCN2CCCCC2)C1 ZINC000344683483 137207644 /nfs/dbraw/zinc/20/76/44/137207644.db2.gz UXBVJUJBXKTAOJ-KGLIPLIRSA-N 1 3 256.390 0.944 10 0 CCAEHO CCC[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)N(C)C ZINC000120617135 349996910 /nfs/dbraw/zinc/99/69/10/349996910.db2.gz YNQXQTMRDQFBSQ-DGCLKSJQSA-N 1 3 259.394 0.146 10 0 CCAEHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@H]([NH+](C)C)C2)C1(C)C ZINC000157231322 350642019 /nfs/dbraw/zinc/64/20/19/350642019.db2.gz NCYGGACAYMEIHQ-YWPYICTPSA-N 1 3 283.416 0.681 10 0 CCAEHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000158098221 350653260 /nfs/dbraw/zinc/65/32/60/350653260.db2.gz JHPDTOHOHHEOAR-UMSGYPCISA-N 1 3 253.390 0.973 10 0 CCAEHO CC(C)[NH2+]CCN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000193462780 351828370 /nfs/dbraw/zinc/82/83/70/351828370.db2.gz NTFPSQSAPVVCMD-CQSZACIVSA-N 1 3 282.432 0.223 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000251819467 352511849 /nfs/dbraw/zinc/51/18/49/352511849.db2.gz OWVCZPJWSLVTMW-OLZOCXBDSA-N 1 3 281.400 0.450 10 0 CCAEHO C1C[C@@H](N2CCN(C3CC[NH2+]CC3)CC2)CS1 ZINC000257709791 352554893 /nfs/dbraw/zinc/55/48/93/352554893.db2.gz NMIQDBNFCWCVAU-CYBMUJFWSA-N 1 3 255.431 0.862 10 0 CCAEHO CN1CCC2(CCCN2C(=O)NC2C[NH2+]C2)CC1 ZINC000335376187 354995214 /nfs/dbraw/zinc/99/52/14/354995214.db2.gz CBRYZBOOKPTGAE-UHFFFAOYSA-N 1 3 252.362 0.228 10 0 CCAEHO O[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000628467024 369270468 /nfs/dbraw/zinc/27/04/68/369270468.db2.gz MRYHELKQBVKLCE-LSDHHAIUSA-N 1 3 277.368 0.790 10 0 CCAEHO C[C@@H]1C[C@@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)[C@H](C)O1 ZINC000333462677 205340698 /nfs/dbraw/zinc/34/06/98/205340698.db2.gz GUURNUMZVMKQMA-JFGNBEQYSA-N 1 3 279.388 0.927 10 0 CCAEHO C[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[n-]2)[C@H](C)O1 ZINC000333462677 205340700 /nfs/dbraw/zinc/34/07/00/205340700.db2.gz GUURNUMZVMKQMA-JFGNBEQYSA-N 1 3 279.388 0.927 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638116308 374683490 /nfs/dbraw/zinc/68/34/90/374683490.db2.gz MDJKMNMISNWLIS-IPYPFGDCSA-N 1 3 281.400 0.437 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[C@H]([NH+](C)C)C2)CCCCN1 ZINC000638276196 374879293 /nfs/dbraw/zinc/87/92/93/374879293.db2.gz RJYQGSVYNBJASP-GXTWGEPZSA-N 1 3 269.389 0.308 10 0 CCAEHO CCN1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000334946782 285214582 /nfs/dbraw/zinc/21/45/82/285214582.db2.gz ZBLJCCPZHAGMBA-ZDUSSCGKSA-N 1 3 268.405 0.866 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000335286175 285266525 /nfs/dbraw/zinc/26/65/25/285266525.db2.gz WNSZCEPBQCZODR-DZGCQCFKSA-N 1 3 280.416 0.866 10 0 CCAEHO CC[C@H](C(N)=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862773 389089262 /nfs/dbraw/zinc/08/92/62/389089262.db2.gz XBHBYXXOADRXCI-DGCLKSJQSA-N 1 3 271.405 0.275 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334345766 389468849 /nfs/dbraw/zinc/46/88/49/389468849.db2.gz VGXYKYMETCCARR-QWHCGFSZSA-N 1 3 266.389 0.570 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000334345766 389468852 /nfs/dbraw/zinc/46/88/52/389468852.db2.gz VGXYKYMETCCARR-QWHCGFSZSA-N 1 3 266.389 0.570 10 0 CCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163910378 389431211 /nfs/dbraw/zinc/43/12/11/389431211.db2.gz WRVXJWFXLJWLHX-YPMHNXCESA-N 1 3 255.406 0.934 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCNCC1 ZINC000132903333 411727971 /nfs/dbraw/zinc/72/79/71/411727971.db2.gz XOYBFKTTXAPBGL-UONOGXRCSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCNCC1 ZINC000132903333 411727976 /nfs/dbraw/zinc/72/79/76/411727976.db2.gz XOYBFKTTXAPBGL-UONOGXRCSA-N 1 3 294.443 0.413 10 0 CCAEHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000038029429 174020143 /nfs/dbraw/zinc/02/01/43/174020143.db2.gz VLROOQNMOIXVFM-OLZOCXBDSA-N 1 3 253.390 0.977 10 0 CCAEHO O=C(NCCN1CCCC1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043125 174048260 /nfs/dbraw/zinc/04/82/60/174048260.db2.gz QTQYGJWDXUBBQD-HNNXBMFYSA-N 1 3 294.443 0.415 10 0 CCAEHO CN(C)C1CC[NH+](CCCn2ccc(N)n2)CC1 ZINC000071352078 176134868 /nfs/dbraw/zinc/13/48/68/176134868.db2.gz IZLFOFBFNCWXPW-UHFFFAOYSA-N 1 3 251.378 0.881 10 0 CCAEHO C[C@H](C[NH3+])CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258589 545881383 /nfs/dbraw/zinc/88/13/83/545881383.db2.gz UHFLVOKUMAPZPS-VIFPVBQESA-N 1 3 251.334 0.341 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000189285837 277301352 /nfs/dbraw/zinc/30/13/52/277301352.db2.gz GEQOSDHXRMKWCD-RVMXOQNASA-N 1 3 269.389 0.208 10 0 CCAEHO Cc1cc(NC[C@H]2C[NH2+]C[C@H]2O)c2ccccc2n1 ZINC000420244505 280299921 /nfs/dbraw/zinc/29/99/21/280299921.db2.gz DMYYELXLBQZFJN-IAQYHMDHSA-N 1 3 257.337 0.957 10 0 CCAEHO C[NH2+][C@@](C)(CCN1CCN(CC(C)C)CC1)C(N)=O ZINC000055081457 522410776 /nfs/dbraw/zinc/41/07/76/522410776.db2.gz CEGJSPGEGMEMLH-AWEZNQCLSA-N 1 3 270.421 0.114 10 0 CCAEHO CC[C@H](C)[C@@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643118 521825538 /nfs/dbraw/zinc/82/55/38/521825538.db2.gz GHVAXYOMYSZWGN-UONOGXRCSA-N 1 3 256.438 0.539 10 0 CCAEHO C[C@H](C[NH2+]C1CC1)N1CCN(CCN(C)C)CC1 ZINC000061654885 524479798 /nfs/dbraw/zinc/47/97/98/524479798.db2.gz SGBNOELLOSBBMK-CYBMUJFWSA-N 1 3 254.422 0.306 10 0 CCAEHO CCC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)N(C)C ZINC000120616654 349996448 /nfs/dbraw/zinc/99/64/48/349996448.db2.gz YNQXQTMRDQFBSQ-AAEUAGOBSA-N 1 3 259.394 0.146 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171903782 350942675 /nfs/dbraw/zinc/94/26/75/350942675.db2.gz QXEUUDXHMFHPQE-ZIAGYGMSSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171903782 350942681 /nfs/dbraw/zinc/94/26/81/350942681.db2.gz QXEUUDXHMFHPQE-ZIAGYGMSSA-N 1 3 280.416 0.960 10 0 CCAEHO N[C@H](Cc1ccc2ccccc2c1)C(=O)NCC[NH3+] ZINC000584626829 359183367 /nfs/dbraw/zinc/18/33/67/359183367.db2.gz XUAKYHWPPOXLEA-CQSZACIVSA-N 1 3 257.337 0.785 10 0 CCAEHO [NH3+]CCN1CCNC[C@H]1c1cnnc2ccccc21 ZINC000616604094 365382620 /nfs/dbraw/zinc/38/26/20/365382620.db2.gz KMQNWXBLYLUBKQ-AWEZNQCLSA-N 1 3 257.341 0.535 10 0 CCAEHO C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)N(C)C1CC1 ZINC000333358162 205250681 /nfs/dbraw/zinc/25/06/81/205250681.db2.gz KRTIULIMRXNWEZ-NEPJUHHUSA-N 1 3 268.405 0.910 10 0 CCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638072720 374623900 /nfs/dbraw/zinc/62/39/00/374623900.db2.gz VCRRRUCOPATOFG-HIFRSBDPSA-N 1 3 285.432 0.834 10 0 CCAEHO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@@H]1[NH3+] ZINC000333121598 389404800 /nfs/dbraw/zinc/40/48/00/389404800.db2.gz AOOJWHFFRURGNG-XZUYRWCXSA-N 1 3 266.389 0.600 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649328338 390585873 /nfs/dbraw/zinc/58/58/73/390585873.db2.gz PLWBZLPMYATRAQ-STQMWFEESA-N 1 3 269.389 0.165 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649277321 390545524 /nfs/dbraw/zinc/54/55/24/390545524.db2.gz UUJUQYWDBGHOEK-TZMCWYRMSA-N 1 3 269.389 0.356 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649335294 390591193 /nfs/dbraw/zinc/59/11/93/390591193.db2.gz QIKBVGDJHMDERL-UTUOFQBUSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1NCC1(C)C ZINC000649335294 390591199 /nfs/dbraw/zinc/59/11/99/390591199.db2.gz QIKBVGDJHMDERL-UTUOFQBUSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1NCC1(C)C ZINC000649335294 390591202 /nfs/dbraw/zinc/59/12/02/390591202.db2.gz QIKBVGDJHMDERL-UTUOFQBUSA-N 1 3 251.374 0.680 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305917 390564813 /nfs/dbraw/zinc/56/48/13/390564813.db2.gz LYAVWGXBSATFCT-GHMZBOCLSA-N 1 3 275.343 0.832 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305918 390565395 /nfs/dbraw/zinc/56/53/95/390565395.db2.gz LYAVWGXBSATFCT-MNOVXSKESA-N 1 3 275.343 0.832 10 0 CCAEHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333667189 286093573 /nfs/dbraw/zinc/09/35/73/286093573.db2.gz MMEKYXGEXARSPE-RDBSUJKOSA-N 1 3 296.415 0.243 10 0 CCAEHO CN(CC1CCN(C)CC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091542570 289568017 /nfs/dbraw/zinc/56/80/17/289568017.db2.gz VYZWPMVRMZCCOW-OLZOCXBDSA-N 1 3 253.390 0.914 10 0 CCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H]2CCN(C)C2=O)CC1 ZINC000246947002 287086614 /nfs/dbraw/zinc/08/66/14/287086614.db2.gz JDNHYBDYOJKKDM-OCCSQVGLSA-N 1 3 283.416 0.242 10 0 CCAEHO CC[NH+](CC)CCNC(=O)COc1ccccc1CN ZINC000022175390 171370412 /nfs/dbraw/zinc/37/04/12/171370412.db2.gz NDVCDEBPBXALPK-UHFFFAOYSA-N 1 3 279.384 0.982 10 0 CCAEHO CCCN1CCN([C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000023066422 171407241 /nfs/dbraw/zinc/40/72/41/171407241.db2.gz TTYPVZVSFYGZFQ-KBPBESRZSA-N 1 3 283.416 0.637 10 0 CCAEHO Cc1ncsc1CNCCN1CCC[NH2+]CC1 ZINC000071213738 176085154 /nfs/dbraw/zinc/08/51/54/176085154.db2.gz IANUSYPKZSHIPT-UHFFFAOYSA-N 1 3 254.403 0.836 10 0 CCAEHO C[C@H]([NH3+])CCCC(=O)Nc1ccnn1C1CNC1 ZINC000725258021 545879566 /nfs/dbraw/zinc/87/95/66/545879566.db2.gz DCKKORFGVMRKDN-VIFPVBQESA-N 1 3 251.334 0.483 10 0 CCAEHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089460925 544514312 /nfs/dbraw/zinc/51/43/12/544514312.db2.gz UOYRYBCWYNIUPI-JHJVBQTASA-N 1 3 253.390 0.819 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000089460980 544515083 /nfs/dbraw/zinc/51/50/83/544515083.db2.gz ZVTFSISSSKIHTN-LOWVWBTDSA-N 1 3 251.374 0.714 10 0 CCAEHO CCN1CCO[C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000250217102 544922391 /nfs/dbraw/zinc/92/23/91/544922391.db2.gz DIAPHCQUUXCYNE-MELADBBJSA-N 1 3 255.406 0.779 10 0 CCAEHO CCN1CCO[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000250217102 544922395 /nfs/dbraw/zinc/92/23/95/544922395.db2.gz DIAPHCQUUXCYNE-MELADBBJSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COC1(C)CNC1 ZINC000252920170 544931049 /nfs/dbraw/zinc/93/10/49/544931049.db2.gz FKEYTZJJXPOGBN-NEPJUHHUSA-N 1 3 267.373 0.060 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COC1(C)CNC1 ZINC000252920170 544931051 /nfs/dbraw/zinc/93/10/51/544931051.db2.gz FKEYTZJJXPOGBN-NEPJUHHUSA-N 1 3 267.373 0.060 10 0 CCAEHO COc1ccc2c(c1)C[C@H](NC[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC000263243202 274127333 /nfs/dbraw/zinc/12/73/33/274127333.db2.gz OYNAOCZRLKMUNV-SQWLQELKSA-N 1 3 276.380 0.722 10 0 CCAEHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000343710974 288098125 /nfs/dbraw/zinc/09/81/25/288098125.db2.gz KKFTYOZCCJCTTG-HZSPNIEDSA-N 1 3 255.406 0.373 10 0 CCAEHO COc1ccc(C[C@H](C)NC[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263226212 295140602 /nfs/dbraw/zinc/14/06/02/295140602.db2.gz MUNULNXVCMJPIO-YUTCNCBUSA-N 1 3 294.395 0.805 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(N)CCCC1 ZINC000094459938 297092460 /nfs/dbraw/zinc/09/24/60/297092460.db2.gz PCFYPMWVUGBZBJ-VXGBXAGGSA-N 1 3 251.374 0.953 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(N)CCCC1 ZINC000094459938 297092461 /nfs/dbraw/zinc/09/24/61/297092461.db2.gz PCFYPMWVUGBZBJ-VXGBXAGGSA-N 1 3 251.374 0.953 10 0 CCAEHO CN(C)CCOCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000219309170 282108625 /nfs/dbraw/zinc/10/86/25/282108625.db2.gz IXFFUMZHVFGCDN-XQQFMLRXSA-N 1 3 256.390 0.968 10 0 CCAEHO CN(C)C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1 ZINC000194650689 282122719 /nfs/dbraw/zinc/12/27/19/282122719.db2.gz NQDHLECENBVPMR-OAHLLOKOSA-N 1 3 295.427 0.650 10 0 CCAEHO CN(C)C[C@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000132296547 282140420 /nfs/dbraw/zinc/14/04/20/282140420.db2.gz YKWFBYKPQFADHK-AWEZNQCLSA-N 1 3 255.406 0.735 10 0 CCAEHO CN1CCN([C@@H](CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000062268812 348666781 /nfs/dbraw/zinc/66/67/81/348666781.db2.gz RAAFFHQOZBQNGD-KRWDZBQOSA-N 1 3 288.439 0.880 10 0 CCAEHO COCCNC(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000104444686 186004926 /nfs/dbraw/zinc/00/49/26/186004926.db2.gz HPSQWBFZXSJUJQ-WDEREUQCSA-N 1 3 257.378 0.197 10 0 CCAEHO COCCNC(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000104444689 186005458 /nfs/dbraw/zinc/00/54/58/186005458.db2.gz HPSQWBFZXSJUJQ-GHMZBOCLSA-N 1 3 257.378 0.197 10 0 CCAEHO [NH3+][C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)c1ccccc1 ZINC000188185158 351579052 /nfs/dbraw/zinc/57/90/52/351579052.db2.gz IDIKJBOVXGFCEQ-SDDRHHMPSA-N 1 3 251.305 0.503 10 0 CCAEHO CC(C)[NH+](CCNC(=O)[C@H]1C[C@H](F)CN1)C(C)C ZINC000188689922 351618120 /nfs/dbraw/zinc/61/81/20/351618120.db2.gz PAKOOEMSBDMUAM-NWDGAFQWSA-N 1 3 259.369 0.921 10 0 CCAEHO COCCN(C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247230119 352404982 /nfs/dbraw/zinc/40/49/82/352404982.db2.gz MQBCFLWYADXMIU-KBPBESRZSA-N 1 3 298.431 0.443 10 0 CCAEHO COCCN(C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247230119 352404983 /nfs/dbraw/zinc/40/49/83/352404983.db2.gz MQBCFLWYADXMIU-KBPBESRZSA-N 1 3 298.431 0.443 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000251633807 352510900 /nfs/dbraw/zinc/51/09/00/352510900.db2.gz FNUQPIUVJCKFIF-DYEKYZERSA-N 1 3 251.374 0.824 10 0 CCAEHO NC(=[NH2+])NCCCCN1CCN(c2ccccn2)CC1 ZINC000584604905 359178982 /nfs/dbraw/zinc/17/89/82/359178982.db2.gz CRVDDHWEZFBORX-UHFFFAOYSA-N 1 3 276.388 0.467 10 0 CCAEHO CO[C@@H]1CN(C(=O)C2CCN(C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630369399 370070175 /nfs/dbraw/zinc/07/01/75/370070175.db2.gz AWFVTNLDTQCHOW-GXTWGEPZSA-N 1 3 269.389 0.293 10 0 CCAEHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333448658 205328186 /nfs/dbraw/zinc/32/81/86/205328186.db2.gz XEPZLRFOMHCFCD-CHWSQXEVSA-N 1 3 284.404 0.148 10 0 CCAEHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(C)CC2)C1 ZINC000334368724 285265881 /nfs/dbraw/zinc/26/58/81/285265881.db2.gz MHESNRUQZAZUPM-ZDUSSCGKSA-N 1 3 268.405 0.818 10 0 CCAEHO CC[N@H+]1CCC[C@H](NC(=O)N2CCCN(C)CC2)C1 ZINC000334368724 285265883 /nfs/dbraw/zinc/26/58/83/285265883.db2.gz MHESNRUQZAZUPM-ZDUSSCGKSA-N 1 3 268.405 0.818 10 0 CCAEHO CC(C)(C)[C@H](O)CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000324483754 389126708 /nfs/dbraw/zinc/12/67/08/389126708.db2.gz JPWNJZWTLSYFKX-CHWSQXEVSA-N 1 3 258.406 0.830 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334345763 389468622 /nfs/dbraw/zinc/46/86/22/389468622.db2.gz VGXYKYMETCCARR-CHWSQXEVSA-N 1 3 266.389 0.570 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000334345763 389468630 /nfs/dbraw/zinc/46/86/30/389468630.db2.gz VGXYKYMETCCARR-CHWSQXEVSA-N 1 3 266.389 0.570 10 0 CCAEHO COC[C@]1(C(=O)NC2CCN(C3CC3)CC2)CCC[NH2+]1 ZINC000649284680 390549077 /nfs/dbraw/zinc/54/90/77/390549077.db2.gz PBYMVIJCTWUZMP-HNNXBMFYSA-N 1 3 281.400 0.498 10 0 CCAEHO COC[C@@]1(C(=O)NC2CCN(C3CC3)CC2)CCC[NH2+]1 ZINC000649284681 390549793 /nfs/dbraw/zinc/54/97/93/390549793.db2.gz PBYMVIJCTWUZMP-OAHLLOKOSA-N 1 3 281.400 0.498 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646140802 390616363 /nfs/dbraw/zinc/61/63/63/390616363.db2.gz XPEGNXVYQXUIOA-NEPJUHHUSA-N 1 3 253.390 0.927 10 0 CCAEHO CN(C)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000647039668 390763411 /nfs/dbraw/zinc/76/34/11/390763411.db2.gz VUIBLXSZAZEVHT-KBPBESRZSA-N 1 3 277.368 0.058 10 0 CCAEHO CC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)N(C)C ZINC000152217489 286733475 /nfs/dbraw/zinc/73/34/75/286733475.db2.gz BVHUEFRGCPOWSF-NEPJUHHUSA-N 1 3 257.378 0.116 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112929 412224081 /nfs/dbraw/zinc/22/40/81/412224081.db2.gz NCISYAFIWBPLQV-GMTAPVOTSA-N 1 3 293.333 0.985 10 0 CCAEHO NNc1[nH+]cnc(NCCN2CCCCC2)c1N ZINC000040756339 174396132 /nfs/dbraw/zinc/39/61/32/174396132.db2.gz WWUHBTDWQVHBIX-UHFFFAOYSA-N 1 3 251.338 0.242 10 0 CCAEHO C[C@@H]([NH3+])CCCC(=O)Nc1ccnn1C1CNC1 ZINC000725258020 545879936 /nfs/dbraw/zinc/87/99/36/545879936.db2.gz DCKKORFGVMRKDN-SECBINFHSA-N 1 3 251.334 0.483 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111247283 544561741 /nfs/dbraw/zinc/56/17/41/544561741.db2.gz SXFDPAGJRDFCPG-MWLCHTKSSA-N 1 3 279.306 0.691 10 0 CCAEHO CCN1CCO[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000226872547 544832241 /nfs/dbraw/zinc/83/22/41/544832241.db2.gz DIAPHCQUUXCYNE-BFHYXJOUSA-N 1 3 255.406 0.779 10 0 CCAEHO CCN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000226872547 544832245 /nfs/dbraw/zinc/83/22/45/544832245.db2.gz DIAPHCQUUXCYNE-BFHYXJOUSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000333399243 545039463 /nfs/dbraw/zinc/03/94/63/545039463.db2.gz PSKCIDBPVRXEMO-WOPDTQHZSA-N 1 3 266.389 0.520 10 0 CCAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCNC(C)(C)C2)C1 ZINC000335285388 279293684 /nfs/dbraw/zinc/29/36/84/279293684.db2.gz NCKCDURBSQGYGG-GFCCVEGCSA-N 1 3 268.405 0.864 10 0 CCAEHO CC[N@H+]1CCC[C@@H](NC(=O)N2CCNC(C)(C)C2)C1 ZINC000335285388 279293686 /nfs/dbraw/zinc/29/36/86/279293686.db2.gz NCKCDURBSQGYGG-GFCCVEGCSA-N 1 3 268.405 0.864 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)CN(C)C1CC1 ZINC000336811822 288306124 /nfs/dbraw/zinc/30/61/24/288306124.db2.gz OPUWDWQQSVHQNH-YUELXQCFSA-N 1 3 267.417 0.610 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)CN(C)C1CC1 ZINC000336811822 288306125 /nfs/dbraw/zinc/30/61/25/288306125.db2.gz OPUWDWQQSVHQNH-YUELXQCFSA-N 1 3 267.417 0.610 10 0 CCAEHO CC(C)CN1CCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000055081805 519726479 /nfs/dbraw/zinc/72/64/79/519726479.db2.gz JFLUCDFPSLSRDO-CQSZACIVSA-N 1 3 255.406 0.625 10 0 CCAEHO COCCN(C)CCNC(=O)[C@H]1[C@H]([NH3+])CCC[C@@H]1C ZINC000061401445 523597703 /nfs/dbraw/zinc/59/77/03/523597703.db2.gz HAUHXUPPVQWKJJ-YNEHKIRRSA-N 1 3 271.405 0.444 10 0 CCAEHO C[C@@H](C[NH3+])CN1CCCN(c2nccn2C)CC1 ZINC000050605364 524582408 /nfs/dbraw/zinc/58/24/08/524582408.db2.gz JUTQTHRDNKEVRN-LBPRGKRZSA-N 1 3 251.378 0.527 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCN1C ZINC000157847582 525432559 /nfs/dbraw/zinc/43/25/59/525432559.db2.gz UIYFQJSWQRUVJT-KKOKHZNYSA-N 1 3 255.362 0.092 10 0 CCAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CCCN1CCOCC1 ZINC000054627964 527147185 /nfs/dbraw/zinc/14/71/85/527147185.db2.gz NVQMRBBLFGVZNI-AGUYFDCRSA-N 1 3 253.390 0.663 10 0 CCAEHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000262049918 622635535 /nfs/dbraw/zinc/63/55/35/622635535.db2.gz ZOHXDDNWNSKXAB-CHWFTXMASA-N 1 3 282.306 0.656 10 0 CCAEHO COCC[C@@H](N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000052791728 623059717 /nfs/dbraw/zinc/05/97/17/623059717.db2.gz HSUUHZHRHJGCKS-VXGBXAGGSA-N 1 3 259.394 0.443 10 0 CCAEHO COCCOCCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000311853682 623806973 /nfs/dbraw/zinc/80/69/73/623806973.db2.gz SXNCADBQCJWKRR-BFHYXJOUSA-N 1 3 272.389 0.335 10 0 CCAEHO COCCOC[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226466988 636985643 /nfs/dbraw/zinc/98/56/43/636985643.db2.gz HMFALDAHPJPFSA-OLZOCXBDSA-N 1 3 260.378 0.084 10 0 CCAEHO C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000091291287 282261158 /nfs/dbraw/zinc/26/11/58/282261158.db2.gz ZFHOAYCMLCDZNN-MNOVXSKESA-N 1 3 257.403 0.244 10 0 CCAEHO NC1(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCOCC1 ZINC000261884594 137024429 /nfs/dbraw/zinc/02/44/29/137024429.db2.gz PRTPKOKQNOJTQK-CQSZACIVSA-N 1 3 295.427 0.875 10 0 CCAEHO NC1(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC000261884594 137024430 /nfs/dbraw/zinc/02/44/30/137024430.db2.gz PRTPKOKQNOJTQK-CQSZACIVSA-N 1 3 295.427 0.875 10 0 CCAEHO CN(C)CCN(Cc1cccs1)C(=O)C1C[NH2+]C1 ZINC000263315665 137063644 /nfs/dbraw/zinc/06/36/44/137063644.db2.gz QFOUQQHILLAXIS-UHFFFAOYSA-N 1 3 267.398 0.858 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000062972883 348673772 /nfs/dbraw/zinc/67/37/72/348673772.db2.gz FBEXDOZFIMFPLM-YNEHKIRRSA-N 1 3 267.373 0.060 10 0 CCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C[C@H](O)C(F)(F)F)CC1 ZINC000181689458 351331856 /nfs/dbraw/zinc/33/18/56/351331856.db2.gz PNRFODHIORXHFT-PWSUYJOCSA-N 1 3 298.349 0.934 10 0 CCAEHO CNCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186596973 351505296 /nfs/dbraw/zinc/50/52/96/351505296.db2.gz LXGXJSYBOMJORC-CQSZACIVSA-N 1 3 276.384 0.772 10 0 CCAEHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCOCC1 ZINC000192634661 351792200 /nfs/dbraw/zinc/79/22/00/351792200.db2.gz FEOIOZBQCBBAOV-FFHGMXDLSA-N 1 3 267.417 0.922 10 0 CCAEHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCOCC1 ZINC000192634661 351792201 /nfs/dbraw/zinc/79/22/01/351792201.db2.gz FEOIOZBQCBBAOV-FFHGMXDLSA-N 1 3 267.417 0.922 10 0 CCAEHO COCCN(C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247230127 352404813 /nfs/dbraw/zinc/40/48/13/352404813.db2.gz MQBCFLWYADXMIU-KGLIPLIRSA-N 1 3 298.431 0.443 10 0 CCAEHO COCCN(C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247230127 352404816 /nfs/dbraw/zinc/40/48/16/352404816.db2.gz MQBCFLWYADXMIU-KGLIPLIRSA-N 1 3 298.431 0.443 10 0 CCAEHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333362648 205256559 /nfs/dbraw/zinc/25/65/59/205256559.db2.gz LIEORQLMXGCCAB-CHWSQXEVSA-N 1 3 268.405 0.770 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638107410 374674374 /nfs/dbraw/zinc/67/43/74/374674374.db2.gz FHGUNQHESBVDII-QWHCGFSZSA-N 1 3 251.374 0.977 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638110038 374678183 /nfs/dbraw/zinc/67/81/83/374678183.db2.gz ZMUZCSVJVJAKIB-GRYCIOLGSA-N 1 3 255.362 0.045 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638110038 374678189 /nfs/dbraw/zinc/67/81/89/374678189.db2.gz ZMUZCSVJVJAKIB-GRYCIOLGSA-N 1 3 255.362 0.045 10 0 CCAEHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000638109917 374678884 /nfs/dbraw/zinc/67/88/84/374678884.db2.gz ZOAJIUIMCXPFAC-OBJOEFQTSA-N 1 3 267.373 0.060 10 0 CCAEHO COCCC1(C(=O)NC[C@H]2CCCN2C)CC[NH2+]CC1 ZINC000638528765 375118520 /nfs/dbraw/zinc/11/85/20/375118520.db2.gz RRXSSDQOZRFGLV-CYBMUJFWSA-N 1 3 283.416 0.603 10 0 CCAEHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333362655 285204387 /nfs/dbraw/zinc/20/43/87/285204387.db2.gz LIEORQLMXGCCAB-STQMWFEESA-N 1 3 268.405 0.770 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171903781 285265547 /nfs/dbraw/zinc/26/55/47/285265547.db2.gz QXEUUDXHMFHPQE-UONOGXRCSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171903781 285265556 /nfs/dbraw/zinc/26/55/56/285265556.db2.gz QXEUUDXHMFHPQE-UONOGXRCSA-N 1 3 280.416 0.960 10 0 CCAEHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCNC(C)(C)C2)C1 ZINC000335285389 285265718 /nfs/dbraw/zinc/26/57/18/285265718.db2.gz NCKCDURBSQGYGG-LBPRGKRZSA-N 1 3 268.405 0.864 10 0 CCAEHO CC[N@H+]1CCC[C@H](NC(=O)N2CCNC(C)(C)C2)C1 ZINC000335285389 285265723 /nfs/dbraw/zinc/26/57/23/285265723.db2.gz NCKCDURBSQGYGG-LBPRGKRZSA-N 1 3 268.405 0.864 10 0 CCAEHO O=C(C[C@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000251428476 389262656 /nfs/dbraw/zinc/26/26/56/389262656.db2.gz TXLJWMOFVZQARW-OLZOCXBDSA-N 1 3 251.374 0.683 10 0 CCAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H]1C ZINC000263302118 389299410 /nfs/dbraw/zinc/29/94/10/389299410.db2.gz XEIZPPAAVAZDNF-YHQUGGNUSA-N 1 3 284.400 0.524 10 0 CCAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C[C@@H]1C ZINC000263302118 389299412 /nfs/dbraw/zinc/29/94/12/389299412.db2.gz XEIZPPAAVAZDNF-YHQUGGNUSA-N 1 3 284.400 0.524 10 0 CCAEHO c1cc(N2CCNCC2)cnc1NC1CC[NH2+]CC1 ZINC000333764240 389443156 /nfs/dbraw/zinc/44/31/56/389443156.db2.gz AYPNCMVEJCXBQJ-UHFFFAOYSA-N 1 3 261.373 0.655 10 0 CCAEHO OC1(CN[C@@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000397489647 389778932 /nfs/dbraw/zinc/77/89/32/389778932.db2.gz HFZWBJKUFLBBKF-MRXNPFEDSA-N 1 3 289.423 0.965 10 0 CCAEHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000649295893 390557364 /nfs/dbraw/zinc/55/73/64/390557364.db2.gz DRQBKZBYBKUCPU-CYBMUJFWSA-N 1 3 277.368 0.923 10 0 CCAEHO COC[C@]1(C(=O)NC[C@@H](C)N(C)C2CC2)CCC[NH2+]1 ZINC000649319601 390577456 /nfs/dbraw/zinc/57/74/56/390577456.db2.gz IJUONTUGMNDRNN-RISCZKNCSA-N 1 3 269.389 0.354 10 0 CCAEHO CCCN(CCN(C)C)C(=O)C1(C[NH3+])CCOCC1 ZINC000045708945 411637005 /nfs/dbraw/zinc/63/70/05/411637005.db2.gz IWGKGQVGSLXYPA-UHFFFAOYSA-N 1 3 271.405 0.542 10 0 CCAEHO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725257940 545880269 /nfs/dbraw/zinc/88/02/69/545880269.db2.gz AGGFVSSQNWAVIR-JTQLQIEISA-N 1 3 251.334 0.339 10 0 CCAEHO [NH3+]CCCCCC(=O)Nc1ccnn1C1CNC1 ZINC000725258329 545882559 /nfs/dbraw/zinc/88/25/59/545882559.db2.gz OUKOGVRBJULFAE-UHFFFAOYSA-N 1 3 251.334 0.485 10 0 CCAEHO CCC[C@H](C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258573 545882613 /nfs/dbraw/zinc/88/26/13/545882613.db2.gz TUWVYTBBMHESQB-SECBINFHSA-N 1 3 251.334 0.341 10 0 CCAEHO CC(C)[C@@H]([NH3+])CC(=O)NCCCN1CCN(C)CC1 ZINC000136426685 544638965 /nfs/dbraw/zinc/63/89/65/544638965.db2.gz BWZPBCUUHPXSFF-ZDUSSCGKSA-N 1 3 270.421 0.114 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250341903 544922220 /nfs/dbraw/zinc/92/22/20/544922220.db2.gz DAAQIIHFTSLLLS-XQQFMLRXSA-N 1 3 253.390 0.914 10 0 CCAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262080080 544939595 /nfs/dbraw/zinc/93/95/95/544939595.db2.gz DYJVGLNZGKGWCC-SIXLDLHFSA-N 1 3 289.423 0.677 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247556670 279319058 /nfs/dbraw/zinc/31/90/58/279319058.db2.gz QXEUUDXHMFHPQE-KBPBESRZSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247556670 279319060 /nfs/dbraw/zinc/31/90/60/279319060.db2.gz QXEUUDXHMFHPQE-KBPBESRZSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173500230 279332453 /nfs/dbraw/zinc/33/24/53/279332453.db2.gz XSCFMUJHPVSMIJ-UONOGXRCSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173500230 279332454 /nfs/dbraw/zinc/33/24/54/279332454.db2.gz XSCFMUJHPVSMIJ-UONOGXRCSA-N 1 3 280.416 0.960 10 0 CCAEHO CC1(C)CN(C(=O)N[C@H]2CNCCC2(F)F)CC[C@@H]1[NH3+] ZINC000335294339 281188596 /nfs/dbraw/zinc/18/85/96/281188596.db2.gz LDTOHAMIZSKADW-UWVGGRQHSA-N 1 3 290.358 0.752 10 0 CCAEHO CN1CCCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000335705797 289393391 /nfs/dbraw/zinc/39/33/91/289393391.db2.gz OCJXPPUFSBOAQO-STQMWFEESA-N 1 3 268.405 0.816 10 0 CCAEHO CO[C@@H]1[C@H](C)[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C12CCC2 ZINC000262074368 294034618 /nfs/dbraw/zinc/03/46/18/294034618.db2.gz CWVLZJATRCYWSA-NJMOYASZSA-N 1 3 254.374 0.360 10 0 CCAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(C)CC1 ZINC000247508659 300318161 /nfs/dbraw/zinc/31/81/61/300318161.db2.gz VQWDWUCOLVBDKB-JSGCOSHPSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(C)CC1 ZINC000247508659 300318166 /nfs/dbraw/zinc/31/81/66/300318166.db2.gz VQWDWUCOLVBDKB-JSGCOSHPSA-N 1 3 280.416 0.959 10 0 CCAEHO CC[NH2+]C[C@@H](C(C)C)N1CCN(CCN(C)C)CC1 ZINC000061655016 519931263 /nfs/dbraw/zinc/93/12/63/519931263.db2.gz PTZNBVYTHWZPCY-HNNXBMFYSA-N 1 3 270.465 0.800 10 0 CCAEHO CC[NH2+][C@H](CCN1CCN([C@@H](C)CC)CC1)C(N)=O ZINC000062531914 520189635 /nfs/dbraw/zinc/18/96/35/520189635.db2.gz KIRQATCLSJTQAF-QWHCGFSZSA-N 1 3 270.421 0.256 10 0 CCAEHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)C(=O)N1CCOCC1 ZINC000049557533 525595176 /nfs/dbraw/zinc/59/51/76/525595176.db2.gz QWAFFTSKRRSLBR-NWDGAFQWSA-N 1 3 257.378 0.164 10 0 CCAEHO [NH3+]C[C@@H]1CC[C@H](CN2CCN(CC3CC3)CC2)O1 ZINC000052372477 527218987 /nfs/dbraw/zinc/21/89/87/527218987.db2.gz NMBDZUAFQQKADU-UONOGXRCSA-N 1 3 253.390 0.520 10 0 CCAEHO CS[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000262565900 295670222 /nfs/dbraw/zinc/67/02/22/295670222.db2.gz LFTIOAUNFWKXDB-NEPJUHHUSA-N 1 3 271.430 0.490 10 0 CCAEHO CCN(CC)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116788808 349872440 /nfs/dbraw/zinc/87/24/40/349872440.db2.gz AGVCJTCJJCQLBI-GFCCVEGCSA-N 1 3 257.378 0.117 10 0 CCAEHO O[C@H]1C[NH2+]C[C@@H]1CNC1CCN(c2ccccc2)CC1 ZINC000263261408 137062272 /nfs/dbraw/zinc/06/22/72/137062272.db2.gz RAUJIFFCUNFCLV-CJNGLKHVSA-N 1 3 275.396 0.825 10 0 CCAEHO COc1ccccc1C[C@H](C)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000263291703 137063215 /nfs/dbraw/zinc/06/32/15/137063215.db2.gz VTHNFFWEUFNTQI-YUTCNCBUSA-N 1 3 264.369 0.796 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)NCCN2CCC(C)CC2)C1 ZINC000040772592 348242173 /nfs/dbraw/zinc/24/21/73/348242173.db2.gz WUFUOMLYLAHRCS-CHWSQXEVSA-N 1 3 269.389 0.211 10 0 CCAEHO CN1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054292201 348548136 /nfs/dbraw/zinc/54/81/36/348548136.db2.gz RPDZOMYCTPPDOJ-QWHCGFSZSA-N 1 3 253.390 0.834 10 0 CCAEHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000091409020 180148337 /nfs/dbraw/zinc/14/83/37/180148337.db2.gz CIAQCEREVIXFRC-HNNXBMFYSA-N 1 3 273.380 0.987 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CCN(C2CC2)C1)N1CC[NH2+]CC1 ZINC000129718367 350221305 /nfs/dbraw/zinc/22/13/05/350221305.db2.gz KFACAUUMOIGMPV-GFCCVEGCSA-N 1 3 280.416 0.023 10 0 CCAEHO C[NH+](C)C1(CNC(=O)C(C)(C)N2CCNCC2)CCCC1 ZINC000149267235 350478033 /nfs/dbraw/zinc/47/80/33/350478033.db2.gz VZEDGIZMDVXTSV-UHFFFAOYSA-N 1 3 296.459 0.661 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CCN1C ZINC000157820517 350650013 /nfs/dbraw/zinc/65/00/13/350650013.db2.gz VZPWOWWVKDABGC-AGIUHOORSA-N 1 3 253.390 0.975 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCN1C ZINC000158098366 350653113 /nfs/dbraw/zinc/65/31/13/350653113.db2.gz JHPDTOHOHHEOAR-FVCCEPFGSA-N 1 3 253.390 0.973 10 0 CCAEHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1(C)C ZINC000188287012 351586103 /nfs/dbraw/zinc/58/61/03/351586103.db2.gz AOZDHBKINQGMOK-SMTWKSNJSA-N 1 3 295.427 0.715 10 0 CCAEHO O=C(CNC[C@@H]1CCCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328634703 354243571 /nfs/dbraw/zinc/24/35/71/354243571.db2.gz MYBZYJFHRMQNGS-OCCSQVGLSA-N 1 3 281.400 0.498 10 0 CCAEHO C[C@@H](N)C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186575632 296013929 /nfs/dbraw/zinc/01/39/29/296013929.db2.gz LSJSUWXHQDFHJK-OCCSQVGLSA-N 1 3 276.384 0.900 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333366380 205257128 /nfs/dbraw/zinc/25/71/28/205257128.db2.gz LVCYTKOLOGNHCW-NTZNESFSSA-N 1 3 266.389 0.378 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333450628 205330360 /nfs/dbraw/zinc/33/03/60/205330360.db2.gz XMDIPXUWLKNPHT-YRGRVCCFSA-N 1 3 280.416 0.910 10 0 CCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000392933687 285206755 /nfs/dbraw/zinc/20/67/55/285206755.db2.gz LNEZQJBPLXMMSM-LOWDOPEQSA-N 1 3 251.374 0.870 10 0 CCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000392933687 285206758 /nfs/dbraw/zinc/20/67/58/285206758.db2.gz LNEZQJBPLXMMSM-LOWDOPEQSA-N 1 3 251.374 0.870 10 0 CCAEHO CC1(C)OCC[C@@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000336903310 389029835 /nfs/dbraw/zinc/02/98/35/389029835.db2.gz VCXKUBDFCDSBKY-STQMWFEESA-N 1 3 256.390 0.990 10 0 CCAEHO C[C@H](Cn1cccn1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000336819089 389023848 /nfs/dbraw/zinc/02/38/48/389023848.db2.gz YEVJILDILAUHSZ-KGLIPLIRSA-N 1 3 266.389 0.708 10 0 CCAEHO CC(C)[C@@H](N)C(=O)N1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100245745 389071125 /nfs/dbraw/zinc/07/11/25/389071125.db2.gz YCWLULSIZCNEPM-YRGRVCCFSA-N 1 3 253.390 0.947 10 0 CCAEHO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CN2CCC1CC2 ZINC000311795629 389105317 /nfs/dbraw/zinc/10/53/17/389105317.db2.gz YYUDYFSGNGDNHX-OCCSQVGLSA-N 1 3 265.401 0.929 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCCN(C2CC2)CC1 ZINC000178747055 389619825 /nfs/dbraw/zinc/61/98/25/389619825.db2.gz ORNJNBGKNSDISV-CHWSQXEVSA-N 1 3 251.374 0.811 10 0 CCAEHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649293785 390553884 /nfs/dbraw/zinc/55/38/84/390553884.db2.gz ISNSPBUONSHPCD-CHWSQXEVSA-N 1 3 269.389 0.213 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305919 390565844 /nfs/dbraw/zinc/56/58/44/390565844.db2.gz LYAVWGXBSATFCT-QWRGUYRKSA-N 1 3 275.343 0.832 10 0 CCAEHO CCN(CCNC(=O)[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000649318565 390575360 /nfs/dbraw/zinc/57/53/60/390575360.db2.gz WGWZAURECCNFNK-AWEZNQCLSA-N 1 3 269.389 0.356 10 0 CCAEHO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CN2CCC1CC2 ZINC000380941176 397483738 /nfs/dbraw/zinc/48/37/38/397483738.db2.gz YAUGTQWVZPKIKK-MCIONIFRSA-N 1 3 265.401 0.914 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000104206321 297111431 /nfs/dbraw/zinc/11/14/31/297111431.db2.gz MLBLAKPLOPHTRE-ZWNOBZJWSA-N 1 3 251.374 0.585 10 0 CCAEHO CN1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653105457 412220418 /nfs/dbraw/zinc/22/04/18/412220418.db2.gz WOKCQRLCSITKSC-NXEZZACHSA-N 1 3 279.306 0.595 10 0 CCAEHO CN(C)Nc1[nH+]cnc(NCCN2CCCCC2)c1N ZINC000040756247 174396373 /nfs/dbraw/zinc/39/63/73/174396373.db2.gz FLBBTXBMTVMALI-UHFFFAOYSA-N 1 3 279.392 0.845 10 0 CCAEHO CCN1CCN(C[C@@H](CC[NH3+])N2CCCCC2)CC1 ZINC000076705776 177065363 /nfs/dbraw/zinc/06/53/63/177065363.db2.gz USBYMSORKLYEPV-OAHLLOKOSA-N 1 3 268.449 0.827 10 0 CCAEHO CC(C)N1CCN([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264377 545884628 /nfs/dbraw/zinc/88/46/28/545884628.db2.gz JTSYLNQERZQSFV-UONOGXRCSA-N 1 3 267.417 0.909 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)[C@H]2C1 ZINC000333817396 545043256 /nfs/dbraw/zinc/04/32/56/545043256.db2.gz KIFBYMJMGVFQRF-UPJWGTAASA-N 1 3 266.389 0.459 10 0 CCAEHO CC1CCN(CCNC(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000333938509 545044568 /nfs/dbraw/zinc/04/45/68/545044568.db2.gz MMQHSCAGMNVVFE-CYBMUJFWSA-N 1 3 268.405 0.627 10 0 CCAEHO CC1(C)OCC[C@H]1NC[C@H](O)C[NH+]1CCCCC1 ZINC000336903308 276156794 /nfs/dbraw/zinc/15/67/94/276156794.db2.gz VCXKUBDFCDSBKY-QWHCGFSZSA-N 1 3 256.390 0.990 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000094647567 279294869 /nfs/dbraw/zinc/29/48/69/279294869.db2.gz WLGYVODHKMJMBG-JHJVBQTASA-N 1 3 253.390 0.975 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000576827158 335252942 /nfs/dbraw/zinc/25/29/42/335252942.db2.gz WBFSDEANNMMFLP-FRRDWIJNSA-N 1 3 253.390 0.642 10 0 CCAEHO C(CN1CC[C@H]2OCCN[C@@H]2C1)C[NH+]1CCCCC1 ZINC000577759389 335398241 /nfs/dbraw/zinc/39/82/41/335398241.db2.gz DPEHQYFYFFHDAV-HUUCEWRRSA-N 1 3 267.417 0.925 10 0 CCAEHO CCCNCc1cn(CC[N@H+](C)CCOC)nn1 ZINC000052572866 519960598 /nfs/dbraw/zinc/96/05/98/519960598.db2.gz GOWKYBVDCGOGSD-UHFFFAOYSA-N 1 3 255.366 0.356 10 0 CCAEHO CCCNCc1cn(CC[N@@H+](C)CCOC)nn1 ZINC000052572866 519960604 /nfs/dbraw/zinc/96/06/04/519960604.db2.gz GOWKYBVDCGOGSD-UHFFFAOYSA-N 1 3 255.366 0.356 10 0 CCAEHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049557550 521742190 /nfs/dbraw/zinc/74/21/90/521742190.db2.gz QQBSPJQLSXHTCR-ZJUUUORDSA-N 1 3 258.366 0.150 10 0 CCAEHO CC[C@@H](C)N1CCN([C@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000055065865 522130977 /nfs/dbraw/zinc/13/09/77/522130977.db2.gz OPDWEMCZYDXKPZ-RDBSUJKOSA-N 1 3 255.406 0.779 10 0 CCAEHO CC[C@@H](C)[C@H](N)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645237 522366657 /nfs/dbraw/zinc/36/66/57/522366657.db2.gz AASQICXWMNVMHC-OLZOCXBDSA-N 1 3 270.421 0.066 10 0 CCAEHO C[C@H](CC[NH+](C)C)NS(=O)(=O)C[C@@H]1CCCCN1 ZINC000049631553 524166113 /nfs/dbraw/zinc/16/61/13/524166113.db2.gz UEVTVUUEKRNSQH-NEPJUHHUSA-N 1 3 277.434 0.388 10 0 CCAEHO C[C@H](C[NH3+])CN1CCCN(c2nccn2C)CC1 ZINC000050605367 524307324 /nfs/dbraw/zinc/30/73/24/524307324.db2.gz JUTQTHRDNKEVRN-GFCCVEGCSA-N 1 3 251.378 0.527 10 0 CCAEHO Cc1nn(C)c(N2CCN(CC(C)C)CC2)c1C[NH3+] ZINC000055080256 527675905 /nfs/dbraw/zinc/67/59/05/527675905.db2.gz DDXOGNTXIIECNU-UHFFFAOYSA-N 1 3 265.405 0.965 10 0 CCAEHO CN1CCC(c2nc([C@@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263263874 536346073 /nfs/dbraw/zinc/34/60/73/536346073.db2.gz RGENUYFAEPOCME-NSHDSACASA-N 1 3 265.361 0.455 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000094460232 349567782 /nfs/dbraw/zinc/56/77/82/349567782.db2.gz FNUQPIUVJCKFIF-BZPMIXESSA-N 1 3 251.374 0.824 10 0 CCAEHO CCC[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)N(C)C ZINC000162149215 290738770 /nfs/dbraw/zinc/73/87/70/290738770.db2.gz BHRVSXDZPQWOES-CYBMUJFWSA-N 1 3 285.432 0.944 10 0 CCAEHO CCCN(CCN(C)C)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000041680286 348258461 /nfs/dbraw/zinc/25/84/61/348258461.db2.gz ZMYIDQCGBDETRB-VXGBXAGGSA-N 1 3 257.378 0.164 10 0 CCAEHO CC[N@H+](CCNC(=O)N1CC[C@@H](N(C)C)C1)C1CC1 ZINC000170836418 350866942 /nfs/dbraw/zinc/86/69/42/350866942.db2.gz NYOGOSDIRBNHTL-CYBMUJFWSA-N 1 3 268.405 0.816 10 0 CCAEHO CC[N@@H+](CCNC(=O)N1CC[C@@H](N(C)C)C1)C1CC1 ZINC000170836418 350866945 /nfs/dbraw/zinc/86/69/45/350866945.db2.gz NYOGOSDIRBNHTL-CYBMUJFWSA-N 1 3 268.405 0.816 10 0 CCAEHO CN(C)C[C@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000179245049 351262028 /nfs/dbraw/zinc/26/20/28/351262028.db2.gz CJTHQIDKKATABM-AWEZNQCLSA-N 1 3 255.406 0.735 10 0 CCAEHO C[C@@H](N)C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186575615 351504021 /nfs/dbraw/zinc/50/40/21/351504021.db2.gz LSJSUWXHQDFHJK-TZMCWYRMSA-N 1 3 276.384 0.900 10 0 CCAEHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)N(C)C1CC1 ZINC000220175607 351971947 /nfs/dbraw/zinc/97/19/47/351971947.db2.gz IXNUGDGOCWPKSL-NQBHXWOUSA-N 1 3 253.390 0.973 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227456939 352050832 /nfs/dbraw/zinc/05/08/32/352050832.db2.gz FNUQPIUVJCKFIF-YRGRVCCFSA-N 1 3 251.374 0.824 10 0 CCAEHO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)N1CCNCC1 ZINC000226397141 352025711 /nfs/dbraw/zinc/02/57/11/352025711.db2.gz YEWFHCCPTRJNIP-ZDUSSCGKSA-N 1 3 284.448 0.517 10 0 CCAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)N1CCNCC1 ZINC000226397141 352025712 /nfs/dbraw/zinc/02/57/12/352025712.db2.gz YEWFHCCPTRJNIP-ZDUSSCGKSA-N 1 3 284.448 0.517 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3CSCCN3)C[C@H]12 ZINC000248638989 352449885 /nfs/dbraw/zinc/44/98/85/352449885.db2.gz QXDLYECIZLSDCA-NOOOWODRSA-N 1 3 269.414 0.277 10 0 CCAEHO C[N@H+](C[C@H](O)CN1CCN2CCCC[C@H]2C1)C1CC1 ZINC000336811388 355185853 /nfs/dbraw/zinc/18/58/53/355185853.db2.gz MSSVFMFAQKTQII-GJZGRUSLSA-N 1 3 267.417 0.612 10 0 CCAEHO C[N@@H+](C[C@H](O)CN1CCN2CCCC[C@H]2C1)C1CC1 ZINC000336811388 355185854 /nfs/dbraw/zinc/18/58/54/355185854.db2.gz MSSVFMFAQKTQII-GJZGRUSLSA-N 1 3 267.417 0.612 10 0 CCAEHO C[N@H+](C[C@@H](O)CN1CCN2CCCC[C@H]2C1)C1CC1 ZINC000336811390 355185971 /nfs/dbraw/zinc/18/59/71/355185971.db2.gz MSSVFMFAQKTQII-LSDHHAIUSA-N 1 3 267.417 0.612 10 0 CCAEHO C[N@@H+](C[C@@H](O)CN1CCN2CCCC[C@H]2C1)C1CC1 ZINC000336811390 355185973 /nfs/dbraw/zinc/18/59/73/355185973.db2.gz MSSVFMFAQKTQII-LSDHHAIUSA-N 1 3 267.417 0.612 10 0 CCAEHO [NH3+]CCN1CCNC[C@@H]1c1cc2ccccc2nn1 ZINC000616637567 365398040 /nfs/dbraw/zinc/39/80/40/365398040.db2.gz ZBSYOAGNSKIMHK-CQSZACIVSA-N 1 3 257.341 0.535 10 0 CCAEHO CCOC(=O)c1ccc([C@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616654784 365411083 /nfs/dbraw/zinc/41/10/83/365411083.db2.gz QFNKJAWQQPUEHB-CQSZACIVSA-N 1 3 277.368 0.768 10 0 CCAEHO [NH3+]CCN1CCN[C@H](c2cccc3nnccc32)C1 ZINC000616601903 365381203 /nfs/dbraw/zinc/38/12/03/365381203.db2.gz JIFBKAOEKDGELR-AWEZNQCLSA-N 1 3 257.341 0.535 10 0 CCAEHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000638072114 374623397 /nfs/dbraw/zinc/62/33/97/374623397.db2.gz QFQXCFRQBDNKMP-YDHLFZDLSA-N 1 3 285.432 0.846 10 0 CCAEHO NC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(F)(F)F ZINC000638397164 374991688 /nfs/dbraw/zinc/99/16/88/374991688.db2.gz PLIGAVCWBIERIO-VIFPVBQESA-N 1 3 279.306 0.868 10 0 CCAEHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262430609 190055072 /nfs/dbraw/zinc/05/50/72/190055072.db2.gz RPPSXGBUOUKSNK-OCCSQVGLSA-N 1 3 277.368 0.718 10 0 CCAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000251830111 285149970 /nfs/dbraw/zinc/14/99/70/285149970.db2.gz PLVDYYUQKUDLMA-RVMXOQNASA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)C)C1)[N@H+](C)C1CC1 ZINC000105269527 389085358 /nfs/dbraw/zinc/08/53/58/389085358.db2.gz NJAMLIJDTHDSAZ-WCQYABFASA-N 1 3 268.405 0.815 10 0 CCAEHO C[C@@H](CNC(=O)N1CC[C@@H](N(C)C)C1)[N@@H+](C)C1CC1 ZINC000105269527 389085361 /nfs/dbraw/zinc/08/53/61/389085361.db2.gz NJAMLIJDTHDSAZ-WCQYABFASA-N 1 3 268.405 0.815 10 0 CCAEHO CCN1CCC(N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649285178 390550142 /nfs/dbraw/zinc/55/01/42/390550142.db2.gz RINLDXSFNRZFAL-GFCCVEGCSA-N 1 3 269.389 0.165 10 0 CCAEHO COC[C@]1(C(=O)NC[C@H](C)N(C)C2CC2)CCC[NH2+]1 ZINC000649319600 390577590 /nfs/dbraw/zinc/57/75/90/390577590.db2.gz IJUONTUGMNDRNN-FZMZJTMJSA-N 1 3 269.389 0.354 10 0 CCAEHO CN1C[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000657695933 413049853 /nfs/dbraw/zinc/04/98/53/413049853.db2.gz QKAVVIUAXIDRMD-XQQFMLRXSA-N 1 3 251.374 0.681 10 0 CCAEHO CN1C[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000657695933 413049858 /nfs/dbraw/zinc/04/98/58/413049858.db2.gz QKAVVIUAXIDRMD-XQQFMLRXSA-N 1 3 251.374 0.681 10 0 CCAEHO CN1C[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1=O ZINC000657695933 413049861 /nfs/dbraw/zinc/04/98/61/413049861.db2.gz QKAVVIUAXIDRMD-XQQFMLRXSA-N 1 3 251.374 0.681 10 0 CCAEHO [NH3+]C1CCC(C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000037812664 397387099 /nfs/dbraw/zinc/38/70/99/397387099.db2.gz MLYKLZYTQACEJE-BPCQOVAHSA-N 1 3 251.374 0.811 10 0 CCAEHO C[NH+](C)CCCNS(=O)(=O)c1ccc(F)c(CN)c1 ZINC000020189105 171054033 /nfs/dbraw/zinc/05/40/33/171054033.db2.gz BVRHITSYKNAPNJ-UHFFFAOYSA-N 1 3 289.376 0.514 10 0 CCAEHO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000653118422 412227282 /nfs/dbraw/zinc/22/72/82/412227282.db2.gz LJLVDBOIBKQISU-GMTAPVOTSA-N 1 3 291.317 0.691 10 0 CCAEHO CN1CCN(C(C)(C)CNC2CC[NH2+]CC2)CC1 ZINC000038040774 174041327 /nfs/dbraw/zinc/04/13/27/174041327.db2.gz YFPIKXQNAZSPIG-UHFFFAOYSA-N 1 3 254.422 0.354 10 0 CCAEHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662620780 414733697 /nfs/dbraw/zinc/73/36/97/414733697.db2.gz BEPWRIDZAKCBKQ-NWDGAFQWSA-N 1 3 253.390 0.975 10 0 CCAEHO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@@H]1CCCNC1 ZINC000665230875 415569602 /nfs/dbraw/zinc/56/96/02/415569602.db2.gz XKXXWZKBOLQANY-VXGBXAGGSA-N 1 3 277.434 0.246 10 0 CCAEHO CCC[C@@H](C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258574 545881844 /nfs/dbraw/zinc/88/18/44/545881844.db2.gz TUWVYTBBMHESQB-VIFPVBQESA-N 1 3 251.334 0.341 10 0 CCAEHO C(CN1CCN2CCCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000227374738 544834465 /nfs/dbraw/zinc/83/44/65/544834465.db2.gz DUNHQFDIXLDBLY-CQSZACIVSA-N 1 3 252.406 0.062 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250347695 544921970 /nfs/dbraw/zinc/92/19/70/544921970.db2.gz QRZZMLAQNMBMJH-YNEHKIRRSA-N 1 3 253.390 0.962 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCN1C ZINC000252087108 544928609 /nfs/dbraw/zinc/92/86/09/544928609.db2.gz GQJWKDCJRLGSNV-YVECIDJPSA-N 1 3 253.390 0.960 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000335285042 279293873 /nfs/dbraw/zinc/29/38/73/279293873.db2.gz HZNXJSRMPNMECX-GFCCVEGCSA-N 1 3 254.378 0.476 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000333658649 290152256 /nfs/dbraw/zinc/15/22/56/290152256.db2.gz LEMSJNUYKULFTM-AAVRWANBSA-N 1 3 280.416 0.992 10 0 CCAEHO CO[C@@H]1[C@H](C)[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C12CCC2 ZINC000262074367 294034805 /nfs/dbraw/zinc/03/48/05/294034805.db2.gz CWVLZJATRCYWSA-NAWOPXAZSA-N 1 3 254.374 0.360 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000389540351 545086799 /nfs/dbraw/zinc/08/67/99/545086799.db2.gz FQMBZDPBAPSPLH-RWMBFGLXSA-N 1 3 253.390 0.962 10 0 CCAEHO CC[N@H+](C)C[C@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000381166827 327134689 /nfs/dbraw/zinc/13/46/89/327134689.db2.gz URDKFGCSLDCMCK-KGLIPLIRSA-N 1 3 255.406 0.469 10 0 CCAEHO CC[N@@H+](C)C[C@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000381166827 327134691 /nfs/dbraw/zinc/13/46/91/327134691.db2.gz URDKFGCSLDCMCK-KGLIPLIRSA-N 1 3 255.406 0.469 10 0 CCAEHO C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCN1C ZINC000157847712 524916528 /nfs/dbraw/zinc/91/65/28/524916528.db2.gz UIYFQJSWQRUVJT-QCNOEVLYSA-N 1 3 255.362 0.092 10 0 CCAEHO COCCCN(C)CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000173913980 536503737 /nfs/dbraw/zinc/50/37/37/536503737.db2.gz GXQHAZDCHQYHBV-CYBMUJFWSA-N 1 3 286.420 0.300 10 0 CCAEHO OCCC[C@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310558903 625452232 /nfs/dbraw/zinc/45/22/32/625452232.db2.gz JFEJSPYRTYYCPG-ZIAGYGMSSA-N 1 3 256.390 0.680 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252562415 649828731 /nfs/dbraw/zinc/82/87/31/649828731.db2.gz WWHAVNLGGVGYLV-XUXIUFHCSA-N 1 3 281.400 0.341 10 0 CCAEHO CN(C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000091394526 349461322 /nfs/dbraw/zinc/46/13/22/349461322.db2.gz XUOPEIFTIRXGNC-OLZOCXBDSA-N 1 3 253.390 0.929 10 0 CCAEHO CC1CCN(CCNC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085370681 136794299 /nfs/dbraw/zinc/79/42/99/136794299.db2.gz TVTQFGWJZZAZNZ-STQMWFEESA-N 1 3 253.390 0.962 10 0 CCAEHO C[C@@H](C(=O)NC[C@@]1(N(C)C)CCSC1)C1C[NH2+]C1 ZINC000262469187 137044045 /nfs/dbraw/zinc/04/40/45/137044045.db2.gz YDSSFXSUSZAFHJ-MFKMUULPSA-N 1 3 271.430 0.395 10 0 CCAEHO C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)CN1Cc1ccccc1 ZINC000262265933 137033734 /nfs/dbraw/zinc/03/37/34/137033734.db2.gz RZGIYODULLFFBF-SWLSCSKDSA-N 1 3 273.380 0.985 10 0 CCAEHO COc1ccccc1C[C@H](C)NC[C@H]1C[NH2+]C[C@H]1O ZINC000263291701 137063091 /nfs/dbraw/zinc/06/30/91/137063091.db2.gz VTHNFFWEUFNTQI-IACUBPJLSA-N 1 3 264.369 0.796 10 0 CCAEHO CCCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000252321424 535100877 /nfs/dbraw/zinc/10/08/77/535100877.db2.gz AOCFWYLDKQYKIZ-UONOGXRCSA-N 1 3 299.459 0.926 10 0 CCAEHO C[N@H+](CCNC(=O)[C@H]1C[C@H](F)CN1)C1CCCC1 ZINC000188759922 351626454 /nfs/dbraw/zinc/62/64/54/351626454.db2.gz ZDVNAOBQHQYXNX-CMPLNLGQSA-N 1 3 257.353 0.677 10 0 CCAEHO C[N@@H+](CCNC(=O)[C@H]1C[C@H](F)CN1)C1CCCC1 ZINC000188759922 351626458 /nfs/dbraw/zinc/62/64/58/351626458.db2.gz ZDVNAOBQHQYXNX-CMPLNLGQSA-N 1 3 257.353 0.677 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247556678 352420620 /nfs/dbraw/zinc/42/06/20/352420620.db2.gz QXEUUDXHMFHPQE-KGLIPLIRSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247556678 352420625 /nfs/dbraw/zinc/42/06/25/352420625.db2.gz QXEUUDXHMFHPQE-KGLIPLIRSA-N 1 3 280.416 0.960 10 0 CCAEHO CN1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250633647 352507234 /nfs/dbraw/zinc/50/72/34/352507234.db2.gz RPDZOMYCTPPDOJ-OLZOCXBDSA-N 1 3 253.390 0.834 10 0 CCAEHO CCN1CCC[C@@H]1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336826384 355201621 /nfs/dbraw/zinc/20/16/21/355201621.db2.gz NPIWHFHUGHFEQV-CABCVRRESA-N 1 3 285.432 0.096 10 0 CCAEHO CCN1CCC[C@@H]1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000336826384 355201625 /nfs/dbraw/zinc/20/16/25/355201625.db2.gz NPIWHFHUGHFEQV-CABCVRRESA-N 1 3 285.432 0.096 10 0 CCAEHO C[C@@H](Cn1cccn1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000336819088 296008275 /nfs/dbraw/zinc/00/82/75/296008275.db2.gz YEVJILDILAUHSZ-KBPBESRZSA-N 1 3 266.389 0.708 10 0 CCAEHO C[C@@H](NCC(C)(C)N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000400349053 296116720 /nfs/dbraw/zinc/11/67/20/296116720.db2.gz JCXIQFZPCLIUAV-CHWSQXEVSA-N 1 3 255.406 0.685 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333366381 205257314 /nfs/dbraw/zinc/25/73/14/205257314.db2.gz LVCYTKOLOGNHCW-WZRBSPASSA-N 1 3 266.389 0.378 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638528478 375118031 /nfs/dbraw/zinc/11/80/31/375118031.db2.gz INWMHLHRYVKGPT-OPRDCNLKSA-N 1 3 279.306 0.595 10 0 CCAEHO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H](N2CCCC2)C1 ZINC000062973027 388940850 /nfs/dbraw/zinc/94/08/50/388940850.db2.gz UIJUINRWHQBTRJ-QWHCGFSZSA-N 1 3 251.374 0.683 10 0 CCAEHO C[N@H+](C[C@H](O)CN1CCC[C@H]1CCCO)C1CC1 ZINC000310904652 389100070 /nfs/dbraw/zinc/10/00/70/389100070.db2.gz CWOWVMRDUZHDLM-KBPBESRZSA-N 1 3 256.390 0.678 10 0 CCAEHO C[N@@H+](C[C@H](O)CN1CCC[C@H]1CCCO)C1CC1 ZINC000310904652 389100071 /nfs/dbraw/zinc/10/00/71/389100071.db2.gz CWOWVMRDUZHDLM-KBPBESRZSA-N 1 3 256.390 0.678 10 0 CCAEHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000311945948 389105836 /nfs/dbraw/zinc/10/58/36/389105836.db2.gz KKRFWOMGETURPI-ILXRZTDVSA-N 1 3 269.433 0.858 10 0 CCAEHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000311945948 389105839 /nfs/dbraw/zinc/10/58/39/389105839.db2.gz KKRFWOMGETURPI-ILXRZTDVSA-N 1 3 269.433 0.858 10 0 CCAEHO CCCNC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000252321422 389263967 /nfs/dbraw/zinc/26/39/67/389263967.db2.gz AOCFWYLDKQYKIZ-KBPBESRZSA-N 1 3 299.459 0.926 10 0 CCAEHO CC[C@H](O)CN1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161938054 389411660 /nfs/dbraw/zinc/41/16/60/389411660.db2.gz CFHSOVJCHIRUSE-CABCVRRESA-N 1 3 269.433 0.859 10 0 CCAEHO CC[C@H](O)CN1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161938054 389411665 /nfs/dbraw/zinc/41/16/65/389411665.db2.gz CFHSOVJCHIRUSE-CABCVRRESA-N 1 3 269.433 0.859 10 0 CCAEHO Cc1cc2n(n1)C[C@@H](CNC[C@H](O)C[NH+]1CCCC1)CN2 ZINC000069327522 292022049 /nfs/dbraw/zinc/02/20/49/292022049.db2.gz VLOVPPYMCJRVGY-KBPBESRZSA-N 1 3 293.415 0.280 10 0 CCAEHO CN1CCN(CCC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022152294 171359618 /nfs/dbraw/zinc/35/96/18/171359618.db2.gz HTODMBVWAGOXQD-UHFFFAOYSA-N 1 3 276.384 0.721 10 0 CCAEHO [NH3+]Cc1cccc(NC(=O)CCN2CCC(O)CC2)c1 ZINC000022163106 171364882 /nfs/dbraw/zinc/36/48/82/171364882.db2.gz SABSWLHSCXLGFI-UHFFFAOYSA-N 1 3 277.368 0.931 10 0 CCAEHO CN1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112457 412223473 /nfs/dbraw/zinc/22/34/73/412223473.db2.gz ZEKFNUYPTVITPG-OPRDCNLKSA-N 1 3 279.306 0.595 10 0 CCAEHO C[C@H](CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N(C)C ZINC000038089271 174102456 /nfs/dbraw/zinc/10/24/56/174102456.db2.gz OCLYQKMKVGAJDK-MROQNXINSA-N 1 3 253.390 0.973 10 0 CCAEHO CC[NH2+]C[C@H](C)C(=O)Nc1ccnn1C1CNC1 ZINC000725258055 545879641 /nfs/dbraw/zinc/87/96/41/545879641.db2.gz DUAVFITWQLKRPW-VIFPVBQESA-N 1 3 251.334 0.212 10 0 CCAEHO CSCC[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258226 545881573 /nfs/dbraw/zinc/88/15/73/545881573.db2.gz LLZYEQNSCRQDIP-VIFPVBQESA-N 1 3 269.374 0.046 10 0 CCAEHO CCN1CCO[C@@H](CNC2CC[NH+](CC)CC2)C1 ZINC000165259107 544721381 /nfs/dbraw/zinc/72/13/81/544721381.db2.gz YEQMBQITRXDYQR-AWEZNQCLSA-N 1 3 255.406 0.781 10 0 CCAEHO CN1C[C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606557 277198073 /nfs/dbraw/zinc/19/80/73/277198073.db2.gz PZYVIDQHBKLXMX-XQQFMLRXSA-N 1 3 264.369 0.966 10 0 CCAEHO CN1C[C@@H]2C[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606557 277198075 /nfs/dbraw/zinc/19/80/75/277198075.db2.gz PZYVIDQHBKLXMX-XQQFMLRXSA-N 1 3 264.369 0.966 10 0 CCAEHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000175979515 277758833 /nfs/dbraw/zinc/75/88/33/277758833.db2.gz SGGIQISNAMMYAP-HUUCEWRRSA-N 1 3 297.443 0.942 10 0 CCAEHO CC(C)[C@H](N)C(=O)N1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100245760 280273203 /nfs/dbraw/zinc/27/32/03/280273203.db2.gz YCWLULSIZCNEPM-DYEKYZERSA-N 1 3 253.390 0.947 10 0 CCAEHO CC(C)[N@H+](C)C[C@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000388659911 545086454 /nfs/dbraw/zinc/08/64/54/545086454.db2.gz BDUJMFQRNVNPNZ-GJZGRUSLSA-N 1 3 269.433 0.858 10 0 CCAEHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000388659911 545086455 /nfs/dbraw/zinc/08/64/55/545086455.db2.gz BDUJMFQRNVNPNZ-GJZGRUSLSA-N 1 3 269.433 0.858 10 0 CCAEHO CN(C)CCN1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000061643186 521766469 /nfs/dbraw/zinc/76/64/69/521766469.db2.gz RBTSDZLGRPPXAD-ZDUSSCGKSA-N 1 3 272.462 0.000 10 0 CCAEHO CC[NH2+]CC(C)(C)CN1CCN(CCN(C)C)CC1 ZINC000061653758 519911565 /nfs/dbraw/zinc/91/15/65/519911565.db2.gz BKRSALRJOQVAQS-UHFFFAOYSA-N 1 3 270.465 0.801 10 0 CCAEHO CCC[NH2+]C[C@H](O)CN1CCN(CC(C)C)CC1 ZINC000055078611 519933476 /nfs/dbraw/zinc/93/34/76/519933476.db2.gz AIGCJFFPBWUWIC-AWEZNQCLSA-N 1 3 257.422 0.621 10 0 CCAEHO CCOCCOC[C@H](O)CN[C@H](C)CC[NH+](C)C ZINC000049557137 519999768 /nfs/dbraw/zinc/99/97/68/519999768.db2.gz SQSKLSCJRUOEKP-CHWSQXEVSA-N 1 3 262.394 0.330 10 0 CCAEHO CC[NH2+][C@@H](CC)CN1CCN(CCN(C)C)CC1 ZINC000061643797 520082264 /nfs/dbraw/zinc/08/22/64/520082264.db2.gz QCYHLOCSCKZBKL-AWEZNQCLSA-N 1 3 256.438 0.554 10 0 CCAEHO CCC(CC)[C@H](CNC(=O)[C@H](N)CCOC)[NH+](C)C ZINC000052809792 521617392 /nfs/dbraw/zinc/61/73/92/521617392.db2.gz PARSDINHDHKNJQ-OLZOCXBDSA-N 1 3 273.421 0.833 10 0 CCAEHO COCCN(C)CCNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000061401434 523596431 /nfs/dbraw/zinc/59/64/31/523596431.db2.gz HAUHXUPPVQWKJJ-RWMBFGLXSA-N 1 3 271.405 0.444 10 0 CCAEHO C[C@H](CN1CCOCC1)NCCC[NH+]1CCCC1 ZINC000049504534 524358125 /nfs/dbraw/zinc/35/81/25/524358125.db2.gz KQTITWARUSLFJG-CQSZACIVSA-N 1 3 255.406 0.783 10 0 CCAEHO C[C@H](CN1CCOCC1)[NH2+]CCCN1CCCC1 ZINC000049504534 524358134 /nfs/dbraw/zinc/35/81/34/524358134.db2.gz KQTITWARUSLFJG-CQSZACIVSA-N 1 3 255.406 0.783 10 0 CCAEHO C[C@@H]([NH3+])[C@@H](N1CCN(CCN(C)C)CC1)C(C)(C)C ZINC000061642419 525004991 /nfs/dbraw/zinc/00/49/91/525004991.db2.gz GRTSNEREEKBFJN-ZIAGYGMSSA-N 1 3 270.465 0.928 10 0 CCAEHO COCCN1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261752844 536876880 /nfs/dbraw/zinc/87/68/80/536876880.db2.gz MWKYUDNSBCDQAJ-FRRDWIJNSA-N 1 3 269.389 0.198 10 0 CCAEHO COC[C@H](C)OC[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226468807 636986088 /nfs/dbraw/zinc/98/60/88/636986088.db2.gz SORCNXLGEFBIRM-MJBXVCDLSA-N 1 3 274.405 0.473 10 0 CCAEHO O=C(COC1CC[NH2+]CC1)N1CCN2CCC[C@H]2C1 ZINC000113705046 349818627 /nfs/dbraw/zinc/81/86/27/349818627.db2.gz NQSIEOOCFRVXDH-LBPRGKRZSA-N 1 3 267.373 0.062 10 0 CCAEHO C[C@H](O)CN1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000245629718 290114008 /nfs/dbraw/zinc/11/40/08/290114008.db2.gz PTFOEAUUNXVBKC-ILXRZTDVSA-N 1 3 269.433 0.858 10 0 CCAEHO C[C@H](O)CN1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000245629718 290114010 /nfs/dbraw/zinc/11/40/10/290114010.db2.gz PTFOEAUUNXVBKC-ILXRZTDVSA-N 1 3 269.433 0.858 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC1CCN(c2ccccc2)CC1 ZINC000263261409 137062012 /nfs/dbraw/zinc/06/20/12/137062012.db2.gz RAUJIFFCUNFCLV-CZUORRHYSA-N 1 3 275.396 0.825 10 0 CCAEHO CO[C@@H]1C[C@H](CO)[N@H+](CCCN2CCCCC2)C1 ZINC000344683488 137207668 /nfs/dbraw/zinc/20/76/68/137207668.db2.gz UXBVJUJBXKTAOJ-ZIAGYGMSSA-N 1 3 256.390 0.944 10 0 CCAEHO CO[C@@H]1C[C@H](CO)[N@@H+](CCCN2CCCCC2)C1 ZINC000344683488 137207669 /nfs/dbraw/zinc/20/76/69/137207669.db2.gz UXBVJUJBXKTAOJ-ZIAGYGMSSA-N 1 3 256.390 0.944 10 0 CCAEHO O=C(C[C@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000054307973 348549666 /nfs/dbraw/zinc/54/96/66/348549666.db2.gz TXLJWMOFVZQARW-CHWSQXEVSA-N 1 3 251.374 0.683 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)CC1CCN(C)CC1 ZINC000111272866 186386025 /nfs/dbraw/zinc/38/60/25/186386025.db2.gz YMAFOSGHTXWEIQ-DGCLKSJQSA-N 1 3 253.390 0.642 10 0 CCAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188942520 351641986 /nfs/dbraw/zinc/64/19/86/351641986.db2.gz VDNNEHWTHRNOSD-SDDRHHMPSA-N 1 3 259.369 0.779 10 0 CCAEHO CNCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189019144 351646839 /nfs/dbraw/zinc/64/68/39/351646839.db2.gz MIINRDOJXWWSHK-GXFFZTMASA-N 1 3 283.322 0.746 10 0 CCAEHO COCCN(C)CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247475498 352415900 /nfs/dbraw/zinc/41/59/00/352415900.db2.gz ICJGBDQFUFNZQJ-ZDUSSCGKSA-N 1 3 284.404 0.054 10 0 CCAEHO COCCN(C)CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247475498 352415902 /nfs/dbraw/zinc/41/59/02/352415902.db2.gz ICJGBDQFUFNZQJ-ZDUSSCGKSA-N 1 3 284.404 0.054 10 0 CCAEHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000335037017 354943697 /nfs/dbraw/zinc/94/36/97/354943697.db2.gz ZMLVXCUGBUMZNL-KGLIPLIRSA-N 1 3 265.401 0.927 10 0 CCAEHO [NH3+]CCN1CCNC[C@H]1c1cc2ccccc2nn1 ZINC000616636973 365397226 /nfs/dbraw/zinc/39/72/26/365397226.db2.gz ZBSYOAGNSKIMHK-AWEZNQCLSA-N 1 3 257.341 0.535 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333450625 205329983 /nfs/dbraw/zinc/32/99/83/205329983.db2.gz XMDIPXUWLKNPHT-BZPMIXESSA-N 1 3 280.416 0.910 10 0 CCAEHO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CCCCC2)CCN1C ZINC000247080837 285042569 /nfs/dbraw/zinc/04/25/69/285042569.db2.gz OWJJQEPWRUQMSI-RBSFLKMASA-N 1 3 269.433 0.906 10 0 CCAEHO CC(C)[C@@H](N)C(=O)N1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 ZINC000100245755 389071118 /nfs/dbraw/zinc/07/11/18/389071118.db2.gz YCWLULSIZCNEPM-BZPMIXESSA-N 1 3 253.390 0.947 10 0 CCAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(N)CCCC1 ZINC000094459939 389040398 /nfs/dbraw/zinc/04/03/98/389040398.db2.gz PCFYPMWVUGBZBJ-NWDGAFQWSA-N 1 3 251.374 0.953 10 0 CCAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(N)CCCC1 ZINC000094459939 389040402 /nfs/dbraw/zinc/04/04/02/389040402.db2.gz PCFYPMWVUGBZBJ-NWDGAFQWSA-N 1 3 251.374 0.953 10 0 CCAEHO CC[C@H](C)[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262584223 389289657 /nfs/dbraw/zinc/28/96/57/389289657.db2.gz RSVZQQGRFCBCJN-MELADBBJSA-N 1 3 285.432 0.713 10 0 CCAEHO CC[C@H](C)[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262584223 389289659 /nfs/dbraw/zinc/28/96/59/389289659.db2.gz RSVZQQGRFCBCJN-MELADBBJSA-N 1 3 285.432 0.713 10 0 CCAEHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000164418718 389434716 /nfs/dbraw/zinc/43/47/16/389434716.db2.gz LJGMMTLBUWEQHV-KBPBESRZSA-N 1 3 277.368 0.087 10 0 CCAEHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643775494 390541041 /nfs/dbraw/zinc/54/10/41/390541041.db2.gz WSZKIMPAOAUMJI-STQMWFEESA-N 1 3 269.389 0.165 10 0 CCAEHO COC[C@]1(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCC[NH2+]1 ZINC000649333338 390590329 /nfs/dbraw/zinc/59/03/29/390590329.db2.gz NCXDJFBZWUAYCB-SCRDCRAPSA-N 1 3 269.389 0.354 10 0 CCAEHO COCCC1(C(=O)NC[C@H](C)N(C)C)CC[NH2+]CC1 ZINC000649305985 390565595 /nfs/dbraw/zinc/56/55/95/390565595.db2.gz SFFOUGHUPNXDDN-LBPRGKRZSA-N 1 3 271.405 0.459 10 0 CCAEHO C[C@H](CN1CCOCC1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089471 390576165 /nfs/dbraw/zinc/57/61/65/390576165.db2.gz AHKIAWBOCARQMZ-MCIONIFRSA-N 1 3 255.406 0.685 10 0 CCAEHO C[C@H](CN1CCOCC1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000566089471 390576172 /nfs/dbraw/zinc/57/61/72/390576172.db2.gz AHKIAWBOCARQMZ-MCIONIFRSA-N 1 3 255.406 0.685 10 0 CCAEHO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CN2CCC1CC2 ZINC000388642370 397508255 /nfs/dbraw/zinc/50/82/55/397508255.db2.gz YAUGTQWVZPKIKK-BFHYXJOUSA-N 1 3 265.401 0.914 10 0 CCAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)COCC[NH3+] ZINC000309731496 411745481 /nfs/dbraw/zinc/74/54/81/411745481.db2.gz PHCMFHGRLDDLRO-CYBMUJFWSA-N 1 3 279.384 0.598 10 0 CCAEHO CN(C)C1CN([C@H](C[NH3+])C(F)(F)C(F)(F)F)C1 ZINC000616570096 411840587 /nfs/dbraw/zinc/84/05/87/411840587.db2.gz PXMHVVXMBBHRSR-SSDOTTSWSA-N 1 3 261.238 0.757 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CNCCOC2)C1 ZINC000662845072 414836843 /nfs/dbraw/zinc/83/68/43/414836843.db2.gz DGUBDCPMYZFZPQ-OLZOCXBDSA-N 1 3 283.416 0.459 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CNCCOC2)C1 ZINC000662845072 414836847 /nfs/dbraw/zinc/83/68/47/414836847.db2.gz DGUBDCPMYZFZPQ-OLZOCXBDSA-N 1 3 283.416 0.459 10 0 CCAEHO CC[NH2+][C@H](C)CC(=O)Nc1ccnn1C1CNC1 ZINC000725257988 545880168 /nfs/dbraw/zinc/88/01/68/545880168.db2.gz CAHQGKZFCIHFKD-SECBINFHSA-N 1 3 251.334 0.354 10 0 CCAEHO C[C@@H](CC[NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258206 545879695 /nfs/dbraw/zinc/87/96/95/545879695.db2.gz KPAAFXNKRANVBK-VIFPVBQESA-N 1 3 251.334 0.341 10 0 CCAEHO CN(C)C[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1ccccc1 ZINC000098061581 544554398 /nfs/dbraw/zinc/55/43/98/544554398.db2.gz BONZJBTWLHDYOR-CQSZACIVSA-N 1 3 291.395 0.784 10 0 CCAEHO C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)N1CCCC1 ZINC000161226312 544704588 /nfs/dbraw/zinc/70/45/88/544704588.db2.gz KHQXOMREGJKQBB-AGIUHOORSA-N 1 3 253.390 0.975 10 0 CCAEHO CC1(C)CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[C@H]1[NH3+] ZINC000334920397 281187177 /nfs/dbraw/zinc/18/71/77/281187177.db2.gz DWZVFXVNQVWFCZ-WCQYABFASA-N 1 3 280.416 0.992 10 0 CCAEHO CCC[NH2+]C[C@@H](C)CN1CCN(CCN(C)C)CC1 ZINC000061655000 519920013 /nfs/dbraw/zinc/92/00/13/519920013.db2.gz YLGYXNKREWZRFT-OAHLLOKOSA-N 1 3 270.465 0.801 10 0 CCAEHO CCCNCc1cn(CC[N@H+](C)[C@H](C)COC)nn1 ZINC000052511686 519961130 /nfs/dbraw/zinc/96/11/30/519961130.db2.gz OSCBAGZYYJDOPY-GFCCVEGCSA-N 1 3 269.393 0.744 10 0 CCAEHO CCCNCc1cn(CC[N@@H+](C)[C@H](C)COC)nn1 ZINC000052511686 519961136 /nfs/dbraw/zinc/96/11/36/519961136.db2.gz OSCBAGZYYJDOPY-GFCCVEGCSA-N 1 3 269.393 0.744 10 0 CCAEHO CC[NH2+][C@H](CCN1CCN(C(C)(C)C)CC1)C(N)=O ZINC000062523655 520188247 /nfs/dbraw/zinc/18/82/47/520188247.db2.gz FIBQGOFKQDZPCC-GFCCVEGCSA-N 1 3 270.421 0.256 10 0 CCAEHO CCO[C@@H](C[NH3+])CCN(CC(N)=O)C1CCCC1 ZINC000062741123 520307519 /nfs/dbraw/zinc/30/75/19/520307519.db2.gz SBUGJZHEZSYNKV-GFCCVEGCSA-N 1 3 257.378 0.470 10 0 CCAEHO C[NH2+]CCS(=O)(=O)NCCCN1CCCC[C@@H]1C ZINC000049629958 522014571 /nfs/dbraw/zinc/01/45/71/522014571.db2.gz WWMUFGHRCOJQNK-LBPRGKRZSA-N 1 3 277.434 0.390 10 0 CCAEHO CCC[NH2+]C[C@H](CC)N1CCN(CCN(C)C)CC1 ZINC000061654989 519931580 /nfs/dbraw/zinc/93/15/80/519931580.db2.gz XOOJDMUDCBVUOU-HNNXBMFYSA-N 1 3 270.465 0.944 10 0 CCAEHO CCC[NH2+]C[C@H]1CCN(CCN(C)CCOC)C1 ZINC000061379317 519935907 /nfs/dbraw/zinc/93/59/07/519935907.db2.gz GTULSOQDPKKPJI-CQSZACIVSA-N 1 3 257.422 0.886 10 0 CCAEHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000049557531 524476407 /nfs/dbraw/zinc/47/64/07/524476407.db2.gz QWAFFTSKRRSLBR-RYUDHWBXSA-N 1 3 257.378 0.164 10 0 CCAEHO CC[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000616569671 545103084 /nfs/dbraw/zinc/10/30/84/545103084.db2.gz JLPYBCSNTVCVCM-AAEUAGOBSA-N 1 3 253.390 0.833 10 0 CCAEHO C[C@@H](CN1CCCC1)NC(=O)c1ccc(NN)[nH+]c1 ZINC000051120148 524590731 /nfs/dbraw/zinc/59/07/31/524590731.db2.gz ZDQSQRZWZXFIGF-JTQLQIEISA-N 1 3 263.345 0.581 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCN1C ZINC000157847855 525260150 /nfs/dbraw/zinc/26/01/50/525260150.db2.gz UIYFQJSWQRUVJT-KXNHARMFSA-N 1 3 255.362 0.092 10 0 CCAEHO CSCC[C@@H](C[NH3+])N1CCN(CCN(C)C)CC1 ZINC000061643127 525527275 /nfs/dbraw/zinc/52/72/75/525527275.db2.gz UHKSQEZQKJEQLN-ZDUSSCGKSA-N 1 3 274.478 0.246 10 0 CCAEHO O[C@H](CN1CCN2CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000311254039 623684312 /nfs/dbraw/zinc/68/43/12/623684312.db2.gz QEEVCZXMWCGOST-GJZGRUSLSA-N 1 3 267.417 0.613 10 0 CCAEHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251582300 649812617 /nfs/dbraw/zinc/81/26/17/649812617.db2.gz CKSYNRSNVGOOPF-WOPDTQHZSA-N 1 3 255.362 0.045 10 0 CCAEHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251582300 649812618 /nfs/dbraw/zinc/81/26/18/649812618.db2.gz CKSYNRSNVGOOPF-WOPDTQHZSA-N 1 3 255.362 0.045 10 0 CCAEHO C[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@H+](C)C1CC1 ZINC000117045943 349880640 /nfs/dbraw/zinc/88/06/40/349880640.db2.gz OGXVSHPBGKNLQB-JSGCOSHPSA-N 1 3 298.431 0.441 10 0 CCAEHO C[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@@H+](C)C1CC1 ZINC000117045943 349880642 /nfs/dbraw/zinc/88/06/42/349880642.db2.gz OGXVSHPBGKNLQB-JSGCOSHPSA-N 1 3 298.431 0.441 10 0 CCAEHO C(C1CCOCC1)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000257737654 137005549 /nfs/dbraw/zinc/00/55/49/137005549.db2.gz SARAYJGHGWVYGE-AWEZNQCLSA-N 1 3 253.390 0.393 10 0 CCAEHO C(C1CCOCC1)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000257737654 137005550 /nfs/dbraw/zinc/00/55/50/137005550.db2.gz SARAYJGHGWVYGE-AWEZNQCLSA-N 1 3 253.390 0.393 10 0 CCAEHO C[C@H](Cc1nc([C@H]2CNCCN2C)no1)[C@@H]1CCC[NH2+]C1 ZINC000263217855 137060559 /nfs/dbraw/zinc/06/05/59/137060559.db2.gz LFHMNXWMWUSUAQ-JHJVBQTASA-N 1 3 293.415 0.824 10 0 CCAEHO CC[NH+]1CCC(CNC(=O)C2(N)CCOCC2)CC1 ZINC000127896321 350180967 /nfs/dbraw/zinc/18/09/67/350180967.db2.gz CYFXSPRMAPOQKE-UHFFFAOYSA-N 1 3 269.389 0.342 10 0 CCAEHO CNCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189019125 351646988 /nfs/dbraw/zinc/64/69/88/351646988.db2.gz MIINRDOJXWWSHK-MFKMUULPSA-N 1 3 283.322 0.746 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000189193178 351658053 /nfs/dbraw/zinc/65/80/53/351658053.db2.gz QIXCGLMHIFWMOB-QWHCGFSZSA-N 1 3 283.416 0.744 10 0 CCAEHO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335038749 354944816 /nfs/dbraw/zinc/94/48/16/354944816.db2.gz SDAHWKCCCBVOEM-RYUDHWBXSA-N 1 3 251.374 0.811 10 0 CCAEHO Cc1noc(CCCN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000567890451 358607178 /nfs/dbraw/zinc/60/71/78/358607178.db2.gz QKCRFSTXKRACOP-QJPTWQEYSA-N 1 3 250.346 0.980 10 0 CCAEHO N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC[NH3+] ZINC000584626828 359183497 /nfs/dbraw/zinc/18/34/97/359183497.db2.gz XUAKYHWPPOXLEA-AWEZNQCLSA-N 1 3 257.337 0.785 10 0 CCAEHO CCOC(=O)c1ccccc1[C@H]1CNCCN1CC[NH3+] ZINC000616636748 365397815 /nfs/dbraw/zinc/39/78/15/365397815.db2.gz OAAYENPSPQUOEG-CQSZACIVSA-N 1 3 277.368 0.768 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765786 372212342 /nfs/dbraw/zinc/21/23/42/372212342.db2.gz DQXORCRQRDMPFA-YDHLFZDLSA-N 1 3 265.401 0.977 10 0 CCAEHO C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)N(C)C1CC1 ZINC000333358165 205250624 /nfs/dbraw/zinc/25/06/24/205250624.db2.gz KRTIULIMRXNWEZ-RYUDHWBXSA-N 1 3 268.405 0.910 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638107778 374674314 /nfs/dbraw/zinc/67/43/14/374674314.db2.gz GPXBOXRFRSUAOK-ZFWWWQNUSA-N 1 3 283.416 0.685 10 0 CCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000392933688 285206576 /nfs/dbraw/zinc/20/65/76/285206576.db2.gz LNEZQJBPLXMMSM-RNJOBUHISA-N 1 3 251.374 0.870 10 0 CCAEHO C[C@@H]1NC(=O)CC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000392933688 285206582 /nfs/dbraw/zinc/20/65/82/285206582.db2.gz LNEZQJBPLXMMSM-RNJOBUHISA-N 1 3 251.374 0.870 10 0 CCAEHO CCN1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000334946781 285211938 /nfs/dbraw/zinc/21/19/38/285211938.db2.gz ZBLJCCPZHAGMBA-CYBMUJFWSA-N 1 3 268.405 0.866 10 0 CCAEHO C[C@@H](Cn1cccn1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000336819090 389024242 /nfs/dbraw/zinc/02/42/42/389024242.db2.gz YEVJILDILAUHSZ-UONOGXRCSA-N 1 3 266.389 0.708 10 0 CCAEHO CCC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)N(C)C ZINC000120616971 389143549 /nfs/dbraw/zinc/14/35/49/389143549.db2.gz YNQXQTMRDQFBSQ-WCQYABFASA-N 1 3 259.394 0.146 10 0 CCAEHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)N1CCCC1 ZINC000226542948 389148695 /nfs/dbraw/zinc/14/86/95/389148695.db2.gz KHQXOMREGJKQBB-YNEHKIRRSA-N 1 3 253.390 0.975 10 0 CCAEHO CC[C@@H](O)CN1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161938181 389412300 /nfs/dbraw/zinc/41/23/00/389412300.db2.gz CFHSOVJCHIRUSE-HUUCEWRRSA-N 1 3 269.433 0.859 10 0 CCAEHO CC[C@@H](O)CN1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161938181 389412305 /nfs/dbraw/zinc/41/23/05/389412305.db2.gz CFHSOVJCHIRUSE-HUUCEWRRSA-N 1 3 269.433 0.859 10 0 CCAEHO C[C@@H]1NCCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H]1C ZINC000333672164 389439872 /nfs/dbraw/zinc/43/98/72/389439872.db2.gz NHDZGXNMGAUABO-SRVKXCTJSA-N 1 3 254.378 0.520 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000333897364 389448559 /nfs/dbraw/zinc/44/85/59/389448559.db2.gz AZSFOBNXGIVBMB-SRVKXCTJSA-N 1 3 254.378 0.520 10 0 CCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000648152398 390314671 /nfs/dbraw/zinc/31/46/71/390314671.db2.gz YEVRUOPADLHZLM-VHSXEESVSA-N 1 3 261.316 0.394 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112930 412225204 /nfs/dbraw/zinc/22/52/04/412225204.db2.gz NCISYAFIWBPLQV-HBNTYKKESA-N 1 3 293.333 0.985 10 0 CCAEHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333754010 545042814 /nfs/dbraw/zinc/04/28/14/545042814.db2.gz ALQGOQQGPXCHBL-OLZOCXBDSA-N 1 3 268.405 0.770 10 0 CCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc[nH]2)CC1 ZINC000179516401 278395519 /nfs/dbraw/zinc/39/55/19/278395519.db2.gz WNZWIPOUYQPVAA-GFCCVEGCSA-N 1 3 266.389 0.934 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175368477 279309806 /nfs/dbraw/zinc/30/98/06/279309806.db2.gz MNGCFSDJPUZGKM-ZIAGYGMSSA-N 1 3 298.431 0.443 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175368477 279309808 /nfs/dbraw/zinc/30/98/08/279309808.db2.gz MNGCFSDJPUZGKM-ZIAGYGMSSA-N 1 3 298.431 0.443 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000335284712 279318469 /nfs/dbraw/zinc/31/84/69/279318469.db2.gz AMJRTUMVCVDPFW-NEPJUHHUSA-N 1 3 254.378 0.603 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000389644759 545086667 /nfs/dbraw/zinc/08/66/67/545086667.db2.gz MDNFLYHRSNXGGB-RWMBFGLXSA-N 1 3 253.390 0.975 10 0 CCAEHO CCCN1CCN(Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061657852 519859042 /nfs/dbraw/zinc/85/90/42/519859042.db2.gz ZOMJDGSBIATLBC-UHFFFAOYSA-N 1 3 261.373 0.893 10 0 CCAEHO CN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000061645153 521829394 /nfs/dbraw/zinc/82/93/94/521829394.db2.gz CXDVFTUEVODIAC-STQMWFEESA-N 1 3 253.390 0.929 10 0 CCAEHO C[NH+](C)C[C@H]1CCCN1C[C@](C)(NC1CC1)C(N)=O ZINC000061653002 521869754 /nfs/dbraw/zinc/86/97/54/521869754.db2.gz MDIUVDOREBUYTG-OCCSQVGLSA-N 1 3 268.405 0.008 10 0 CCAEHO CC[C@@H](C)N1CCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000055072041 522124815 /nfs/dbraw/zinc/12/48/15/522124815.db2.gz GJAQNJTUDJMEGY-ZIAGYGMSSA-N 1 3 255.406 0.768 10 0 CCAEHO CC[C@H]([NH2+]C)[C@H](C)N1CCN(CCN(C)C)CC1 ZINC000061643855 522557422 /nfs/dbraw/zinc/55/74/22/522557422.db2.gz VYSDONYXKMJSNO-KBPBESRZSA-N 1 3 256.438 0.552 10 0 CCAEHO CSCC[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000049184830 525584189 /nfs/dbraw/zinc/58/41/89/525584189.db2.gz KOAUBYVJEJMYMH-QWRGUYRKSA-N 1 3 259.419 0.667 10 0 CCAEHO [NH3+]Cc1ccc(OCCCN2CC[C@@H](O)C2)cc1 ZINC000061710198 527255799 /nfs/dbraw/zinc/25/57/99/527255799.db2.gz HYHYIDIWWCRPJR-CYBMUJFWSA-N 1 3 250.342 0.981 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)CCOC ZINC000220940834 615130792 /nfs/dbraw/zinc/13/07/92/615130792.db2.gz IJUBGNROTYQVFB-NEPJUHHUSA-N 1 3 257.378 0.293 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](N)CCOC ZINC000220940834 615130794 /nfs/dbraw/zinc/13/07/94/615130794.db2.gz IJUBGNROTYQVFB-NEPJUHHUSA-N 1 3 257.378 0.293 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668524 649709080 /nfs/dbraw/zinc/70/90/80/649709080.db2.gz WWHAVNLGGVGYLV-DGAVXFQQSA-N 1 3 281.400 0.341 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252562414 649828864 /nfs/dbraw/zinc/82/88/64/649828864.db2.gz WWHAVNLGGVGYLV-FQUUOJAGSA-N 1 3 281.400 0.341 10 0 CCAEHO CC[N@H+](CCNC(=O)N1CCO[C@H](CN(C)C)C1)C1CC1 ZINC000117043132 349880786 /nfs/dbraw/zinc/88/07/86/349880786.db2.gz JGMDEGOKQUVVJC-CQSZACIVSA-N 1 3 298.431 0.443 10 0 CCAEHO CC[N@@H+](CCNC(=O)N1CCO[C@H](CN(C)C)C1)C1CC1 ZINC000117043132 349880789 /nfs/dbraw/zinc/88/07/89/349880789.db2.gz JGMDEGOKQUVVJC-CQSZACIVSA-N 1 3 298.431 0.443 10 0 CCAEHO C[NH+]1CCC(CCNC(=O)C(C)(C)N2CCNCC2)CC1 ZINC000157228678 290709755 /nfs/dbraw/zinc/70/97/55/290709755.db2.gz WWQVLLAZPLOYNA-UHFFFAOYSA-N 1 3 296.459 0.518 10 0 CCAEHO CCC[C@](C)(N)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262509905 137045416 /nfs/dbraw/zinc/04/54/16/137045416.db2.gz BAYZJZMYFIUVKU-ZFWWWQNUSA-N 1 3 285.432 0.857 10 0 CCAEHO CCC[C@](C)(N)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000262509905 137045417 /nfs/dbraw/zinc/04/54/17/137045417.db2.gz BAYZJZMYFIUVKU-ZFWWWQNUSA-N 1 3 285.432 0.857 10 0 CCAEHO [NH3+]C1C2CCC(C2)C1C(=O)NCCCOCC1CCOC1 ZINC000262629744 137048830 /nfs/dbraw/zinc/04/88/30/137048830.db2.gz SMFBNDDNRYQTDM-BTFPBAQTSA-N 1 3 296.411 0.919 10 0 CCAEHO CN(C)CCOc1cccc(CNC(=O)C2C[NH2+]C2)c1 ZINC000263284419 137063158 /nfs/dbraw/zinc/06/31/58/137063158.db2.gz KIGAJWVZUXRKIP-UHFFFAOYSA-N 1 3 277.368 0.463 10 0 CCAEHO O=C(NCCCN1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000263347926 137064646 /nfs/dbraw/zinc/06/46/46/137064646.db2.gz ZSPYSXJOPPVTKZ-UHFFFAOYSA-N 1 3 273.380 0.770 10 0 CCAEHO CO[C@@H]1C[C@@H](CO)[N@H+](CCCN2CCCCC2)C1 ZINC000344683486 137207371 /nfs/dbraw/zinc/20/73/71/137207371.db2.gz UXBVJUJBXKTAOJ-UONOGXRCSA-N 1 3 256.390 0.944 10 0 CCAEHO CO[C@@H]1C[C@@H](CO)[N@@H+](CCCN2CCCCC2)C1 ZINC000344683486 137207372 /nfs/dbraw/zinc/20/73/72/137207372.db2.gz UXBVJUJBXKTAOJ-UONOGXRCSA-N 1 3 256.390 0.944 10 0 CCAEHO C[N@H+](C[C@H](O)CN1CCC[C@@H]1CCCO)C1CC1 ZINC000310904653 354193407 /nfs/dbraw/zinc/19/34/07/354193407.db2.gz CWOWVMRDUZHDLM-KGLIPLIRSA-N 1 3 256.390 0.678 10 0 CCAEHO C[N@@H+](C[C@H](O)CN1CCC[C@@H]1CCCO)C1CC1 ZINC000310904653 354193408 /nfs/dbraw/zinc/19/34/08/354193408.db2.gz CWOWVMRDUZHDLM-KGLIPLIRSA-N 1 3 256.390 0.678 10 0 CCAEHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCC[NH2+]C2)N(C)C1 ZINC000333824733 354800356 /nfs/dbraw/zinc/80/03/56/354800356.db2.gz LLPHWQVKPYDHHY-RDBSUJKOSA-N 1 3 298.431 0.489 10 0 CCAEHO CC[NH+]1CCC(NC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000334451381 354868632 /nfs/dbraw/zinc/86/86/32/354868632.db2.gz VRRIXMBVHABUSF-AWEZNQCLSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000334451381 354868634 /nfs/dbraw/zinc/86/86/34/354868634.db2.gz VRRIXMBVHABUSF-AWEZNQCLSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000334451381 354868636 /nfs/dbraw/zinc/86/86/36/354868636.db2.gz VRRIXMBVHABUSF-AWEZNQCLSA-N 1 3 280.416 0.960 10 0 CCAEHO CN1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000408348133 358044759 /nfs/dbraw/zinc/04/47/59/358044759.db2.gz ZGOQKDGZZNAKFR-UHFFFAOYSA-N 1 3 298.431 0.179 10 0 CCAEHO CN1CCC(NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000408348133 358044761 /nfs/dbraw/zinc/04/47/61/358044761.db2.gz ZGOQKDGZZNAKFR-UHFFFAOYSA-N 1 3 298.431 0.179 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638116312 374682216 /nfs/dbraw/zinc/68/22/16/374682216.db2.gz MDJKMNMISNWLIS-UMVBOHGHSA-N 1 3 281.400 0.437 10 0 CCAEHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCNC[C@H]2C)C1 ZINC000335285716 285265744 /nfs/dbraw/zinc/26/57/44/285265744.db2.gz RTXIUCTZSKTIBZ-NEPJUHHUSA-N 1 3 254.378 0.474 10 0 CCAEHO CC[N@H+]1CCC[C@H](NC(=O)N2CCNC[C@H]2C)C1 ZINC000335285716 285265746 /nfs/dbraw/zinc/26/57/46/285265746.db2.gz RTXIUCTZSKTIBZ-NEPJUHHUSA-N 1 3 254.378 0.474 10 0 CCAEHO O=C([C@H]1C[NH2+]CCOC1)N1CC[C@H](N2CCCCC2)C1 ZINC000649322273 390580015 /nfs/dbraw/zinc/58/00/15/390580015.db2.gz KQOSDKVNIAZNSQ-KBPBESRZSA-N 1 3 281.400 0.309 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CNCCC1(F)F ZINC000649335094 390591678 /nfs/dbraw/zinc/59/16/78/390591678.db2.gz FCAOBZMWKXURKY-GRYCIOLGSA-N 1 3 287.354 0.926 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CNCCC1(F)F ZINC000649335094 390591681 /nfs/dbraw/zinc/59/16/81/390591681.db2.gz FCAOBZMWKXURKY-GRYCIOLGSA-N 1 3 287.354 0.926 10 0 CCAEHO COC1(C(=O)N[C@H](CC(C)C)CN(C)C)CC[NH2+]CC1 ZINC000377074463 292096843 /nfs/dbraw/zinc/09/68/43/292096843.db2.gz TYLKDXRJPPYLSE-CYBMUJFWSA-N 1 3 285.432 0.848 10 0 CCAEHO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CN2CCC1CC2 ZINC000388642371 397507128 /nfs/dbraw/zinc/50/71/28/397507128.db2.gz YAUGTQWVZPKIKK-MJBXVCDLSA-N 1 3 265.401 0.914 10 0 CCAEHO CC(C)[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000089746426 544517077 /nfs/dbraw/zinc/51/70/77/544517077.db2.gz ZNPCZPLHICWPJW-GJZGRUSLSA-N 1 3 296.459 0.374 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111247285 544562314 /nfs/dbraw/zinc/56/23/14/544562314.db2.gz SXFDPAGJRDFCPG-GXSJLCMTSA-N 1 3 279.306 0.691 10 0 CCAEHO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161020392 544703979 /nfs/dbraw/zinc/70/39/79/544703979.db2.gz LJIDHPYUZIYNRB-QWHCGFSZSA-N 1 3 253.390 0.977 10 0 CCAEHO C[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])N(C)C1CC1 ZINC000227433083 544834986 /nfs/dbraw/zinc/83/49/86/544834986.db2.gz DEKSNLSHDPMSTP-WZRBSPASSA-N 1 3 253.390 0.960 10 0 CCAEHO CC1(C)CN(C(=O)N[C@H]2CNCCC2(F)F)CC[C@H]1[NH3+] ZINC000335294346 281188658 /nfs/dbraw/zinc/18/86/58/281188658.db2.gz LDTOHAMIZSKADW-ZJUUUORDSA-N 1 3 290.358 0.752 10 0 CCAEHO CC1(C)CN(C(=O)C(N)C(F)(F)F)CC[C@H]1[NH3+] ZINC000335673878 281206852 /nfs/dbraw/zinc/20/68/52/281206852.db2.gz NOOSDWAQPLIEKZ-RQJHMYQMSA-N 1 3 253.268 0.462 10 0 CCAEHO C[C@H](C(=O)N(C)C[C@@H]1CCCN(C)C1)C1C[NH2+]C1 ZINC000262379360 289251864 /nfs/dbraw/zinc/25/18/64/289251864.db2.gz MUEJCRSWOJXPBU-NWDGAFQWSA-N 1 3 253.390 0.642 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000576827160 335252897 /nfs/dbraw/zinc/25/28/97/335252897.db2.gz WBFSDEANNMMFLP-JHJVBQTASA-N 1 3 253.390 0.642 10 0 CCAEHO CC(C)NCCS(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000049640705 519722236 /nfs/dbraw/zinc/72/22/36/519722236.db2.gz AXFAYPMKXLBZFL-UHFFFAOYSA-N 1 3 279.450 0.492 10 0 CCAEHO CC(C)CN1CCN([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055077017 519728164 /nfs/dbraw/zinc/72/81/64/519728164.db2.gz SBKNYDVXDMBAQJ-CQSZACIVSA-N 1 3 265.405 0.694 10 0 CCAEHO CCCN1CCN(C[C@@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052422009 519858715 /nfs/dbraw/zinc/85/87/15/519858715.db2.gz RBQLVLNPMOHUEG-KBPBESRZSA-N 1 3 255.406 0.781 10 0 CCAEHO CCC[NH2+][C@H](CN1CCN([C@@H](C)CC)CC1)C(N)=O ZINC000055070538 520083300 /nfs/dbraw/zinc/08/33/00/520083300.db2.gz CPXZPZUFZJFRBR-QWHCGFSZSA-N 1 3 270.421 0.256 10 0 CCAEHO CC[NH+](CC)C[C@H](O)CN[C@@H](C)Cn1ccnc1 ZINC000049235176 520737311 /nfs/dbraw/zinc/73/73/11/520737311.db2.gz DKAMZQRLXAZFJE-QWHCGFSZSA-N 1 3 254.378 0.564 10 0 CCAEHO CCN(CC)C[C@H](O)C[NH2+][C@@H](C)Cn1ccnc1 ZINC000049235176 520737318 /nfs/dbraw/zinc/73/73/18/520737318.db2.gz DKAMZQRLXAZFJE-QWHCGFSZSA-N 1 3 254.378 0.564 10 0 CCAEHO CN(C)C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000061645155 521833075 /nfs/dbraw/zinc/83/30/75/521833075.db2.gz CXDVFTUEVODIAC-OLZOCXBDSA-N 1 3 253.390 0.929 10 0 CCAEHO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557585 523345225 /nfs/dbraw/zinc/34/52/25/523345225.db2.gz PWDADPWBYLWGHM-NWDGAFQWSA-N 1 3 259.394 0.457 10 0 CCAEHO C[C@@H]1CCC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1[NH3+] ZINC000055126712 524265227 /nfs/dbraw/zinc/26/52/27/524265227.db2.gz PEWCIPVKIAKFHO-RAIGVLPGSA-N 1 3 253.390 0.960 10 0 CCAEHO C[C@@H]1CCC[C@H](C(=O)NC2CCN(C)CC2)[C@@H]1[NH3+] ZINC000055126710 524346610 /nfs/dbraw/zinc/34/66/10/524346610.db2.gz PEWCIPVKIAKFHO-KGYLQXTDSA-N 1 3 253.390 0.960 10 0 CCAEHO C[C@H](N)c1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655507 524868039 /nfs/dbraw/zinc/86/80/39/524868039.db2.gz MQBLCMAHNGOHIM-NSHDSACASA-N 1 3 283.445 0.846 10 0 CCAEHO CCN1CCC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758128 349776564 /nfs/dbraw/zinc/77/65/64/349776564.db2.gz YUDZNTRZNGWMPN-LBPRGKRZSA-N 1 3 269.389 0.356 10 0 CCAEHO C[C@H](C(=O)NC[C@@]1(N(C)C)CCSC1)C1C[NH2+]C1 ZINC000262469185 137044271 /nfs/dbraw/zinc/04/42/71/137044271.db2.gz YDSSFXSUSZAFHJ-GWCFXTLKSA-N 1 3 271.430 0.395 10 0 CCAEHO CCC[C@](C)(N)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000262509903 137045227 /nfs/dbraw/zinc/04/52/27/137045227.db2.gz BAYZJZMYFIUVKU-HIFRSBDPSA-N 1 3 285.432 0.857 10 0 CCAEHO CCC[C@](C)(N)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000262509903 137045228 /nfs/dbraw/zinc/04/52/28/137045228.db2.gz BAYZJZMYFIUVKU-HIFRSBDPSA-N 1 3 285.432 0.857 10 0 CCAEHO CN1CCC(O)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000344120339 137178613 /nfs/dbraw/zinc/17/86/13/137178613.db2.gz ZLEMBLPWFCSYTI-UPJWGTAASA-N 1 3 268.401 0.846 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000223927083 351992680 /nfs/dbraw/zinc/99/26/80/351992680.db2.gz OPOKBABQUHXAML-JHJVBQTASA-N 1 3 251.374 0.539 10 0 CCAEHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN2CCC[C@@H]2C1 ZINC000247372757 352411079 /nfs/dbraw/zinc/41/10/79/352411079.db2.gz FHDWJOWTKBNHJS-UKRRQHHQSA-N 1 3 292.427 0.960 10 0 CCAEHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN2CCC[C@@H]2C1 ZINC000247372757 352411085 /nfs/dbraw/zinc/41/10/85/352411085.db2.gz FHDWJOWTKBNHJS-UKRRQHHQSA-N 1 3 292.427 0.960 10 0 CCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C[C@@H](O)C(F)(F)F)CC1 ZINC000248584317 352447055 /nfs/dbraw/zinc/44/70/55/352447055.db2.gz PNRFODHIORXHFT-ZYHUDNBSSA-N 1 3 298.349 0.934 10 0 CCAEHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCCC[NH2+]C2)N(C)C1 ZINC000333824732 354800558 /nfs/dbraw/zinc/80/05/58/354800558.db2.gz LLPHWQVKPYDHHY-IHRRRGAJSA-N 1 3 298.431 0.489 10 0 CCAEHO CCN1CCC(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634763109 372211264 /nfs/dbraw/zinc/21/12/64/372211264.db2.gz OBKXWMLLMJCGOU-WFASDCNBSA-N 1 3 265.401 0.977 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765708 372212996 /nfs/dbraw/zinc/21/29/96/372212996.db2.gz AHSOZGRDWPVJDC-SCRDCRAPSA-N 1 3 251.374 0.587 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000262163370 285330662 /nfs/dbraw/zinc/33/06/62/285330662.db2.gz TVCLMTHHYBRRBI-OOCWMUITSA-N 1 3 274.455 0.536 10 0 CCAEHO CC(C)[C@@H](N)C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000095088016 389041831 /nfs/dbraw/zinc/04/18/31/389041831.db2.gz XUXCIOSNEHZUNR-GFCCVEGCSA-N 1 3 253.390 0.914 10 0 CCAEHO CC(C)[C@@H](N)C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000095088016 389041832 /nfs/dbraw/zinc/04/18/32/389041832.db2.gz XUXCIOSNEHZUNR-GFCCVEGCSA-N 1 3 253.390 0.914 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000333938886 389450696 /nfs/dbraw/zinc/45/06/96/389450696.db2.gz MWEFUTCVLURYAO-UMSGYPCISA-N 1 3 266.389 0.459 10 0 CCAEHO O[C@@H]1CNC[C@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000335028459 389531249 /nfs/dbraw/zinc/53/12/49/389531249.db2.gz LCTWCHLCSIYPQN-WPGIIJABSA-N 1 3 250.386 0.981 10 0 CCAEHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CNCCOC1 ZINC000649276643 390544594 /nfs/dbraw/zinc/54/45/94/390544594.db2.gz VHWXCBAZTWGUHS-KGLIPLIRSA-N 1 3 285.432 0.849 10 0 CCAEHO COC[C@]1(C(=O)NCCN2CCC(C)CC2)CCC[NH2+]1 ZINC000649293344 390554281 /nfs/dbraw/zinc/55/42/81/390554281.db2.gz NKVCKQCGQIUFIS-HNNXBMFYSA-N 1 3 283.416 0.603 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649335295 390591374 /nfs/dbraw/zinc/59/13/74/390591374.db2.gz QIKBVGDJHMDERL-WOPDTQHZSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1NCC1(C)C ZINC000649335295 390591377 /nfs/dbraw/zinc/59/13/77/390591377.db2.gz QIKBVGDJHMDERL-WOPDTQHZSA-N 1 3 251.374 0.680 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1NCC1(C)C ZINC000649335295 390591381 /nfs/dbraw/zinc/59/13/81/390591381.db2.gz QIKBVGDJHMDERL-WOPDTQHZSA-N 1 3 251.374 0.680 10 0 CCAEHO Cn1cc([C@H]2CCCN2CCN2CC[NH2+]CC2)cn1 ZINC000311639948 411750134 /nfs/dbraw/zinc/75/01/34/411750134.db2.gz KTQSDVJSPPSBJT-CQSZACIVSA-N 1 3 263.389 0.462 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022211667 171374122 /nfs/dbraw/zinc/37/41/22/171374122.db2.gz ULQMCTSHSUDSBF-UHFFFAOYSA-N 1 3 285.413 0.765 10 0 CCAEHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653112679 412223828 /nfs/dbraw/zinc/22/38/28/412223828.db2.gz GSIQBYBIWIYHOK-JMJZKYOTSA-N 1 3 291.317 0.737 10 0 CCAEHO CN1CCC(N(CCO)C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000037824899 173779793 /nfs/dbraw/zinc/77/97/93/173779793.db2.gz VDRLWJWRXZQGTQ-CYBMUJFWSA-N 1 3 269.389 0.044 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000662911049 414885511 /nfs/dbraw/zinc/88/55/11/414885511.db2.gz QTSRXZURMTVLOG-JSGCOSHPSA-N 1 3 269.389 0.356 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCN1C ZINC000252087104 544929098 /nfs/dbraw/zinc/92/90/98/544929098.db2.gz GQJWKDCJRLGSNV-LPWJVIDDSA-N 1 3 253.390 0.960 10 0 CCAEHO C[C@H](Cc1ccc(F)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262086835 544939447 /nfs/dbraw/zinc/93/94/47/544939447.db2.gz GEOQUYOUTRRJGL-OSMZGAPFSA-N 1 3 252.333 0.927 10 0 CCAEHO CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458276 279261827 /nfs/dbraw/zinc/26/18/27/279261827.db2.gz PEEXCWIGFLXXDM-DGCLKSJQSA-N 1 3 253.390 0.962 10 0 CCAEHO CC1(C)CN(C(=O)N[C@@H]2CNCCC2(F)F)CC[C@H]1[NH3+] ZINC000335294334 281182601 /nfs/dbraw/zinc/18/26/01/281182601.db2.gz LDTOHAMIZSKADW-NXEZZACHSA-N 1 3 290.358 0.752 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)[C@@H]2C1 ZINC000333817394 290152177 /nfs/dbraw/zinc/15/21/77/290152177.db2.gz KIFBYMJMGVFQRF-FRRDWIJNSA-N 1 3 266.389 0.459 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000389540348 545086676 /nfs/dbraw/zinc/08/66/76/545086676.db2.gz FQMBZDPBAPSPLH-AVGNSLFASA-N 1 3 253.390 0.962 10 0 CCAEHO CC(C)(C)OC(=O)[C@@H]1CNC[C@@H](N2CC[NH2+]CC2)C1 ZINC000536961310 330384469 /nfs/dbraw/zinc/38/44/69/330384469.db2.gz YZIPTYWWQUNRHL-RYUDHWBXSA-N 1 3 269.389 0.211 10 0 CCAEHO CN(C)C[C@H]1CCC[N@@H+]1[C@]1(CN)CN2CCC1CC2 ZINC000061643000 521873620 /nfs/dbraw/zinc/87/36/20/521873620.db2.gz ZKHPDFQNFYDTAH-HUUCEWRRSA-N 1 3 266.433 0.436 10 0 CCAEHO CN(C)C[C@H]1CCC[N@H+]1[C@]1(CN)CN2CCC1CC2 ZINC000061643000 521873631 /nfs/dbraw/zinc/87/36/31/521873631.db2.gz ZKHPDFQNFYDTAH-HUUCEWRRSA-N 1 3 266.433 0.436 10 0 CCAEHO C[C@H]([NH3+])[C@@H](N1CCN(CCN(C)C)CC1)C(C)(C)C ZINC000061642418 524836247 /nfs/dbraw/zinc/83/62/47/524836247.db2.gz GRTSNEREEKBFJN-UONOGXRCSA-N 1 3 270.465 0.928 10 0 CCAEHO CSCC[C@H](N)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000049220940 525585945 /nfs/dbraw/zinc/58/59/45/525585945.db2.gz GTTINJJEAPMRDP-WDEREUQCSA-N 1 3 261.435 0.769 10 0 CCAEHO [NH3+]C1CCC(N2CCN(c3ncccn3)CC2)CC1 ZINC000055144256 527140561 /nfs/dbraw/zinc/14/05/61/527140561.db2.gz KEQIHUWLOWFEBT-UHFFFAOYSA-N 1 3 261.373 0.869 10 0 CCAEHO Cc1nccn1CCN1CCN(CCC[NH3+])CC1 ZINC000049329595 527426156 /nfs/dbraw/zinc/42/61/56/527426156.db2.gz UOEDTHQKWWGBJW-UHFFFAOYSA-N 1 3 251.378 0.158 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091668117 649708787 /nfs/dbraw/zinc/70/87/87/649708787.db2.gz JPEIBLIDBMJXNY-BFHYXJOUSA-N 1 3 281.400 0.356 10 0 CCAEHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000263283158 137062809 /nfs/dbraw/zinc/06/28/09/137062809.db2.gz UOJBZBFJTPDHDP-MXASKKJJSA-N 1 3 289.423 0.992 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000062972146 348673535 /nfs/dbraw/zinc/67/35/35/348673535.db2.gz XIXUCJCUTCEKKV-OLZOCXBDSA-N 1 3 253.390 0.929 10 0 CCAEHO COCCN1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000180993552 351298415 /nfs/dbraw/zinc/29/84/15/351298415.db2.gz SFHQUMLMUVUKMC-OAHLLOKOSA-N 1 3 283.416 0.746 10 0 CCAEHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCN(C)CC1 ZINC000192832298 351800173 /nfs/dbraw/zinc/80/01/73/351800173.db2.gz DYWFGWPGROSDCH-WZYMTQMTSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCN(C)CC1 ZINC000192832298 351800175 /nfs/dbraw/zinc/80/01/75/351800175.db2.gz DYWFGWPGROSDCH-WZYMTQMTSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCN(C)CC1 ZINC000192832298 351800179 /nfs/dbraw/zinc/80/01/79/351800179.db2.gz DYWFGWPGROSDCH-WZYMTQMTSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)N1CCC[C@@H](C)C1 ZINC000333948737 354819397 /nfs/dbraw/zinc/81/93/97/354819397.db2.gz WPIQAUGDOSWJCW-RFGFWPKPSA-N 1 3 298.431 0.081 10 0 CCAEHO COCCN1CC[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333448661 205328874 /nfs/dbraw/zinc/32/88/74/205328874.db2.gz XEPZLRFOMHCFCD-QWHCGFSZSA-N 1 3 284.404 0.148 10 0 CCAEHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)C1 ZINC000638115841 374682625 /nfs/dbraw/zinc/68/26/25/374682625.db2.gz JPKFNDHOIYYTRK-XFMPKHEZSA-N 1 3 281.400 0.449 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000335286177 208104902 /nfs/dbraw/zinc/10/49/02/208104902.db2.gz WNSZCEPBQCZODR-UKRRQHHQSA-N 1 3 280.416 0.866 10 0 CCAEHO CC(C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)S(C)(=O)=O ZINC000186487402 388838376 /nfs/dbraw/zinc/83/83/76/388838376.db2.gz DRSPXDQKWBBLFD-ZJUUUORDSA-N 1 3 274.386 0.163 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000311652275 389104509 /nfs/dbraw/zinc/10/45/09/389104509.db2.gz FASMYXHSYMOIQV-IACUBPJLSA-N 1 3 265.401 0.927 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000226688704 389148608 /nfs/dbraw/zinc/14/86/08/389148608.db2.gz LRISWWISVQRVAR-YNEHKIRRSA-N 1 3 269.389 0.354 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000227794864 389151633 /nfs/dbraw/zinc/15/16/33/389151633.db2.gz WLGFTSIKFKFHSX-JHJVBQTASA-N 1 3 251.374 0.811 10 0 CCAEHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000648153784 390315505 /nfs/dbraw/zinc/31/55/05/390315505.db2.gz NIOXRUGKFDDELQ-YPMHNXCESA-N 1 3 251.374 0.668 10 0 CCAEHO CN(C)CCN(C(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000643774183 390540164 /nfs/dbraw/zinc/54/01/64/390540164.db2.gz PEWWQWBWYNTNMA-CYBMUJFWSA-N 1 3 283.416 0.555 10 0 CCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649298963 390558537 /nfs/dbraw/zinc/55/85/37/390558537.db2.gz OMDSBMIEGTUKHQ-CHWSQXEVSA-N 1 3 271.405 0.315 10 0 CCAEHO COC[C@@]1(C(=O)N2CCC[C@H](N(C)C)C2)CCC[NH2+]1 ZINC000649318376 390575973 /nfs/dbraw/zinc/57/59/73/390575973.db2.gz CRDATDGRWYHBMQ-GXTWGEPZSA-N 1 3 269.389 0.308 10 0 CCAEHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1(C)C ZINC000249049490 286416040 /nfs/dbraw/zinc/41/60/40/286416040.db2.gz AOZDHBKINQGMOK-CQLYOCRWSA-N 1 3 295.427 0.715 10 0 CCAEHO CCN1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653105857 412219985 /nfs/dbraw/zinc/21/99/85/412219985.db2.gz MOEBLICQVRYWCT-GHMZBOCLSA-N 1 3 293.333 0.985 10 0 CCAEHO C[C@@H](NCCN1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000037210159 173031461 /nfs/dbraw/zinc/03/14/61/173031461.db2.gz GJJFPUJLVVWQEG-KGLIPLIRSA-N 1 3 255.406 0.639 10 0 CCAEHO C[C@@H](NCCN1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000037210159 173031462 /nfs/dbraw/zinc/03/14/62/173031462.db2.gz GJJFPUJLVVWQEG-KGLIPLIRSA-N 1 3 255.406 0.639 10 0 CCAEHO CN1CC[C@H](C[N@H+](C)[C@@H](CN)C2CCOCC2)C1 ZINC000071188398 176062790 /nfs/dbraw/zinc/06/27/90/176062790.db2.gz QKKXDFANVNXYLC-JSGCOSHPSA-N 1 3 255.406 0.624 10 0 CCAEHO CN1CC[C@H](C[N@@H+](C)[C@@H](CN)C2CCOCC2)C1 ZINC000071188398 176062792 /nfs/dbraw/zinc/06/27/92/176062792.db2.gz QKKXDFANVNXYLC-JSGCOSHPSA-N 1 3 255.406 0.624 10 0 CCAEHO COCCN(C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089461839 544514358 /nfs/dbraw/zinc/51/43/58/544514358.db2.gz KEULMXKAVVUUQI-VXGBXAGGSA-N 1 3 257.378 0.056 10 0 CCAEHO CC[C@@H](C(N)=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247390484 280089026 /nfs/dbraw/zinc/08/90/26/280089026.db2.gz XBHBYXXOADRXCI-AAEUAGOBSA-N 1 3 271.405 0.275 10 0 CCAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCN(C)C2=O)CC1 ZINC000116278155 290084778 /nfs/dbraw/zinc/08/47/78/290084778.db2.gz JDNHYBDYOJKKDM-GXTWGEPZSA-N 1 3 283.416 0.242 10 0 CCAEHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399095972 545089020 /nfs/dbraw/zinc/08/90/20/545089020.db2.gz SNQGOLSZUZOMQU-XQLPTFJDSA-N 1 3 270.417 0.780 10 0 CCAEHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399095972 545089021 /nfs/dbraw/zinc/08/90/21/545089021.db2.gz SNQGOLSZUZOMQU-XQLPTFJDSA-N 1 3 270.417 0.780 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049641501 520686187 /nfs/dbraw/zinc/68/61/87/520686187.db2.gz DUFWIEMPOWOOMK-LBPRGKRZSA-N 1 3 277.434 0.247 10 0 CCAEHO CCC[C@]1(C(=O)N2CC[C@@H](N(C)C)C2)CC[NH2+]C1 ZINC000062972101 521298755 /nfs/dbraw/zinc/29/87/55/521298755.db2.gz INGDLYCDEBAXLA-OCCSQVGLSA-N 1 3 253.390 0.929 10 0 CCAEHO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)CC[C@@H]1[NH3+] ZINC000055136282 525362386 /nfs/dbraw/zinc/36/23/86/525362386.db2.gz WCENWYOSIQNWPH-LPWJVIDDSA-N 1 3 253.390 0.960 10 0 CCAEHO CN(C(=O)C1C[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261556748 137007908 /nfs/dbraw/zinc/00/79/08/137007908.db2.gz WGEVRLNYOJMUNN-OAHLLOKOSA-N 1 3 273.380 0.939 10 0 CCAEHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261708098 137016549 /nfs/dbraw/zinc/01/65/49/137016549.db2.gz FZYUVCXCYLOPDI-RBSFLKMASA-N 1 3 296.459 0.504 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000263272179 137062457 /nfs/dbraw/zinc/06/24/57/137062457.db2.gz SIGYDXDJLRNQPJ-NZEXEKPDSA-N 1 3 252.358 0.114 10 0 CCAEHO CCN1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308320 348549561 /nfs/dbraw/zinc/54/95/61/348549561.db2.gz WYVOBHKHAYOADC-LBPRGKRZSA-N 1 3 253.390 0.977 10 0 CCAEHO COCCNCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000092496118 180397490 /nfs/dbraw/zinc/39/74/90/180397490.db2.gz GFRUPAXNRGUEIG-UHFFFAOYSA-N 1 3 269.389 0.309 10 0 CCAEHO C[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)[N@H+](C)C1CC1 ZINC000171907341 350942943 /nfs/dbraw/zinc/94/29/43/350942943.db2.gz IRVKPXIJELSGGI-GXTWGEPZSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@@H](CNC(=O)N1CCN2CCC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000171907341 350942945 /nfs/dbraw/zinc/94/29/45/350942945.db2.gz IRVKPXIJELSGGI-GXTWGEPZSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@H](N)C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186571935 351503960 /nfs/dbraw/zinc/50/39/60/351503960.db2.gz LSJSUWXHQDFHJK-JSGCOSHPSA-N 1 3 276.384 0.900 10 0 CCAEHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)N1CCN(C)CC1 ZINC000192832288 351800032 /nfs/dbraw/zinc/80/00/32/351800032.db2.gz DYWFGWPGROSDCH-HNSVSWJLSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCN(C)CC1 ZINC000192832288 351800038 /nfs/dbraw/zinc/80/00/38/351800038.db2.gz DYWFGWPGROSDCH-HNSVSWJLSA-N 1 3 280.460 0.837 10 0 CCAEHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCN(C)CC1 ZINC000192832288 351800040 /nfs/dbraw/zinc/80/00/40/351800040.db2.gz DYWFGWPGROSDCH-HNSVSWJLSA-N 1 3 280.460 0.837 10 0 CCAEHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H]([NH+](C)C)C2)C1(C)C ZINC000231677120 352132324 /nfs/dbraw/zinc/13/23/24/352132324.db2.gz NCYGGACAYMEIHQ-LALPHHSUSA-N 1 3 283.416 0.681 10 0 CCAEHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000404962265 357822232 /nfs/dbraw/zinc/82/22/32/357822232.db2.gz QIYLCJFQHYBILR-STQMWFEESA-N 1 3 253.390 0.929 10 0 CCAEHO NC(=O)[C@]1(O)CCC[N@H+](CCCN2CCCCC2)C1 ZINC000375477688 283362013 /nfs/dbraw/zinc/36/20/13/283362013.db2.gz FALKWBUJYNBQPQ-AWEZNQCLSA-N 1 3 269.389 0.175 10 0 CCAEHO NC(=O)[C@]1(O)CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000375477688 283362014 /nfs/dbraw/zinc/36/20/14/283362014.db2.gz FALKWBUJYNBQPQ-AWEZNQCLSA-N 1 3 269.389 0.175 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000333399241 205288407 /nfs/dbraw/zinc/28/84/07/205288407.db2.gz PSKCIDBPVRXEMO-IJLUTSLNSA-N 1 3 266.389 0.520 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCCN1 ZINC000638109201 374675510 /nfs/dbraw/zinc/67/55/10/374675510.db2.gz SKSXZGRMBAYPSD-DZGCQCFKSA-N 1 3 281.400 0.452 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCCN1 ZINC000638109201 374675515 /nfs/dbraw/zinc/67/55/15/374675515.db2.gz SKSXZGRMBAYPSD-DZGCQCFKSA-N 1 3 281.400 0.452 10 0 CCAEHO COCCC1(C(=O)NC[C@@H]2CCCN2C)CC[NH2+]CC1 ZINC000638728448 375324501 /nfs/dbraw/zinc/32/45/01/375324501.db2.gz RRXSSDQOZRFGLV-ZDUSSCGKSA-N 1 3 283.416 0.603 10 0 CCAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000251830116 285149916 /nfs/dbraw/zinc/14/99/16/285149916.db2.gz PLVDYYUQKUDLMA-XQHKEYJVSA-N 1 3 251.374 0.680 10 0 CCAEHO CCC[C@@H](C(=O)NCC[N@H+](CC)CCO)N(C)C ZINC000183976089 388767027 /nfs/dbraw/zinc/76/70/27/388767027.db2.gz BHQVPTFWEDIGMD-LBPRGKRZSA-N 1 3 259.394 0.147 10 0 CCAEHO CCC[C@@H](C(=O)NCC[N@@H+](CC)CCO)N(C)C ZINC000183976089 388767031 /nfs/dbraw/zinc/76/70/31/388767031.db2.gz BHQVPTFWEDIGMD-LBPRGKRZSA-N 1 3 259.394 0.147 10 0 CCAEHO NC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)Cc2ccccc2C1 ZINC000184989883 388782144 /nfs/dbraw/zinc/78/21/44/388782144.db2.gz ORSQHNGXCNEBJU-RRFJBIMHSA-N 1 3 285.391 0.678 10 0 CCAEHO COC[C@@]1(C(=O)N(C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000643768069 390538303 /nfs/dbraw/zinc/53/83/03/390538303.db2.gz QBZDBGWMDAXBHL-CQSZACIVSA-N 1 3 269.389 0.308 10 0 CCAEHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CNCCOC1 ZINC000649276642 390544810 /nfs/dbraw/zinc/54/48/10/390544810.db2.gz VHWXCBAZTWGUHS-KBPBESRZSA-N 1 3 285.432 0.849 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]12 ZINC000567270826 390685540 /nfs/dbraw/zinc/68/55/40/390685540.db2.gz PZRFSMPSUOAFOO-ZOBORPQBSA-N 1 3 254.374 0.851 10 0 CCAEHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000572481118 390785243 /nfs/dbraw/zinc/78/52/43/390785243.db2.gz QYQVQIOPSXDUMU-LSDHHAIUSA-N 1 3 275.396 0.967 10 0 CCAEHO CC[C@H]1CCN(C(=O)C2CCN(C)CC2)C[C@H]1[NH3+] ZINC000616570137 411840346 /nfs/dbraw/zinc/84/03/46/411840346.db2.gz MAPPONXIJLKBCH-WCQYABFASA-N 1 3 253.390 0.914 10 0 CCAEHO CCCN[C@@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)C(N)=O ZINC000071191052 176067777 /nfs/dbraw/zinc/06/77/77/176067777.db2.gz QZHAEBNFEUBCNG-OLZOCXBDSA-N 1 3 270.421 0.114 10 0 CCAEHO CCCN[C@@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)C(N)=O ZINC000071191052 176067779 /nfs/dbraw/zinc/06/77/79/176067779.db2.gz QZHAEBNFEUBCNG-OLZOCXBDSA-N 1 3 270.421 0.114 10 0 CCAEHO CC(=O)N1CCN(C2CCC3(C[C@@H]3[NH3+])CC2)CC1 ZINC000725270107 545887938 /nfs/dbraw/zinc/88/79/38/545887938.db2.gz HHHWSPMOTYINRX-MOKVOYLWSA-N 1 3 251.374 0.811 10 0 CCAEHO CCN1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458283 544514733 /nfs/dbraw/zinc/51/47/33/544514733.db2.gz PEEXCWIGFLXXDM-AAEUAGOBSA-N 1 3 253.390 0.962 10 0 CCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461888 544515109 /nfs/dbraw/zinc/51/51/09/544515109.db2.gz OVNZKENLXYJEKF-AGIUHOORSA-N 1 3 253.390 0.914 10 0 CCAEHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCN1CCCCC1 ZINC000089460655 544515116 /nfs/dbraw/zinc/51/51/16/544515116.db2.gz FOAKHTCPBLIAJB-OLZOCXBDSA-N 1 3 253.390 0.964 10 0 CCAEHO O=C(N1CCN2CCC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223762939 544826371 /nfs/dbraw/zinc/82/63/71/544826371.db2.gz XJRVFXDGUXRCDT-ZYHUDNBSSA-N 1 3 291.317 0.835 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250219623 544922448 /nfs/dbraw/zinc/92/24/48/544922448.db2.gz DPVLBWQAXFMRDX-RWMBFGLXSA-N 1 3 253.390 0.962 10 0 CCAEHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)N1CCCC1 ZINC000252479110 544929664 /nfs/dbraw/zinc/92/96/64/544929664.db2.gz KHQXOMREGJKQBB-RWMBFGLXSA-N 1 3 253.390 0.975 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000252651278 544930494 /nfs/dbraw/zinc/93/04/94/544930494.db2.gz GVQHRYJNGHIPSR-YNEHKIRRSA-N 1 3 253.390 0.833 10 0 CCAEHO CN(C)C[C@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333491976 289216161 /nfs/dbraw/zinc/21/61/61/289216161.db2.gz DKSQWODHHFHBBA-STQMWFEESA-N 1 3 284.404 0.101 10 0 CCAEHO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000228221752 295321984 /nfs/dbraw/zinc/32/19/84/295321984.db2.gz WLGFTSIKFKFHSX-XQQFMLRXSA-N 1 3 251.374 0.811 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(C)CC1 ZINC000247508665 297097985 /nfs/dbraw/zinc/09/79/85/297097985.db2.gz VQWDWUCOLVBDKB-OCCSQVGLSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(C)CC1 ZINC000247508665 297097989 /nfs/dbraw/zinc/09/79/89/297097989.db2.gz VQWDWUCOLVBDKB-OCCSQVGLSA-N 1 3 280.416 0.959 10 0 CCAEHO CCC(CC)[C@@H](CNC(=O)[C@H](N)CCOC)[NH+](C)C ZINC000052809791 521604214 /nfs/dbraw/zinc/60/42/14/521604214.db2.gz PARSDINHDHKNJQ-CHWSQXEVSA-N 1 3 273.421 0.833 10 0 CCAEHO CCCN(CCn1cc(CNC)nn1)CC[NH+](C)C ZINC000052544205 521656819 /nfs/dbraw/zinc/65/68/19/521656819.db2.gz ZPNRIQWDRLYHKE-UHFFFAOYSA-N 1 3 268.409 0.271 10 0 CCAEHO CCC[N@H+](CCN(C)C)CCn1cc(CNC)nn1 ZINC000052544205 521656822 /nfs/dbraw/zinc/65/68/22/521656822.db2.gz ZPNRIQWDRLYHKE-UHFFFAOYSA-N 1 3 268.409 0.271 10 0 CCAEHO CCC[N@@H+](CCN(C)C)CCn1cc(CNC)nn1 ZINC000052544205 521656825 /nfs/dbraw/zinc/65/68/25/521656825.db2.gz ZPNRIQWDRLYHKE-UHFFFAOYSA-N 1 3 268.409 0.271 10 0 CCAEHO COCC[C@@H](N)C(=O)NCCCC[N@H+](C)C(C)C ZINC000052810336 521821414 /nfs/dbraw/zinc/82/14/14/521821414.db2.gz WLFBCLKANPROIM-GFCCVEGCSA-N 1 3 259.394 0.587 10 0 CCAEHO COCC[C@@H](N)C(=O)NCCCC[N@@H+](C)C(C)C ZINC000052810336 521821421 /nfs/dbraw/zinc/82/14/21/521821421.db2.gz WLFBCLKANPROIM-GFCCVEGCSA-N 1 3 259.394 0.587 10 0 CCAEHO C[NH2+]C[C@H]1CC[C@@H](CN(CCOC)[C@@H](C)COC)O1 ZINC000052572427 522093774 /nfs/dbraw/zinc/09/37/74/522093774.db2.gz CUVTUBHBTGXZPE-MJBXVCDLSA-N 1 3 274.405 0.737 10 0 CCAEHO CC[C@H](C)[NH2+]C[C@H](C)N1CCN(CCN(C)C)CC1 ZINC000061655323 524003576 /nfs/dbraw/zinc/00/35/76/524003576.db2.gz UXVWASHABJICBI-GJZGRUSLSA-N 1 3 270.465 0.942 10 0 CCAEHO COCCN1CCN([C@H]2CCC[C@H](C[NH3+])C2)CC1 ZINC000675052864 545320471 /nfs/dbraw/zinc/32/04/71/545320471.db2.gz BIRLEOIMWGMBTR-KBPBESRZSA-N 1 3 255.406 0.768 10 0 CCAEHO O[C@@H](CN1CCN2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000311254040 623683360 /nfs/dbraw/zinc/68/33/60/623683360.db2.gz QEEVCZXMWCGOST-HUUCEWRRSA-N 1 3 267.417 0.613 10 0 CCAEHO CS[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1N(C)C ZINC000262462500 295671286 /nfs/dbraw/zinc/67/12/86/295671286.db2.gz VZIFKKNXUSIDSG-RVMXOQNASA-N 1 3 285.457 0.879 10 0 CCAEHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000037766057 348202394 /nfs/dbraw/zinc/20/23/94/348202394.db2.gz OCOFPFBDJFSFIY-JSGCOSHPSA-N 1 3 293.367 0.288 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCN1C ZINC000158098059 350653609 /nfs/dbraw/zinc/65/36/09/350653609.db2.gz JHPDTOHOHHEOAR-FDYHWXHSSA-N 1 3 253.390 0.973 10 0 CCAEHO CC(C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1)S(C)(=O)=O ZINC000186487384 351498620 /nfs/dbraw/zinc/49/86/20/351498620.db2.gz DRSPXDQKWBBLFD-UWVGGRQHSA-N 1 3 274.386 0.163 10 0 CCAEHO C[C@H]1CN(C(=O)NC2C[NH2+]C2)CCN(C2CCC2)C1 ZINC000335395909 354995871 /nfs/dbraw/zinc/99/58/71/354995871.db2.gz NDFSMMGXSSBXLJ-LLVKDONJSA-N 1 3 266.389 0.474 10 0 CCAEHO [NH3+]CCN1CCN[C@H](c2ccc3nnccc3c2)C1 ZINC000616634028 365393365 /nfs/dbraw/zinc/39/33/65/365393365.db2.gz KRWWDDAOWBCGIL-AWEZNQCLSA-N 1 3 257.341 0.535 10 0 CCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638072721 374624163 /nfs/dbraw/zinc/62/41/63/374624163.db2.gz VCRRRUCOPATOFG-UKRRQHHQSA-N 1 3 285.432 0.834 10 0 CCAEHO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000334327004 206375428 /nfs/dbraw/zinc/37/54/28/206375428.db2.gz BXWNQKNVTOCLQA-OCCSQVGLSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000311652273 389104583 /nfs/dbraw/zinc/10/45/83/389104583.db2.gz FASMYXHSYMOIQV-FPMFFAJLSA-N 1 3 265.401 0.927 10 0 CCAEHO CCN1CCN([C@@H]2CCN(CC[NH2+]C(C)C)C2)CC1 ZINC000191488397 285334595 /nfs/dbraw/zinc/33/45/95/285334595.db2.gz RKSRWCZDOVOCTR-OAHLLOKOSA-N 1 3 268.449 0.696 10 0 CCAEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000333394486 389411801 /nfs/dbraw/zinc/41/18/01/389411801.db2.gz PERNYEFLTNGHDV-WXHSDQCUSA-N 1 3 266.389 0.602 10 0 CCAEHO COC[C@]1(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CCC[NH2+]1 ZINC000649335219 390591480 /nfs/dbraw/zinc/59/14/80/390591480.db2.gz LYZFSLHVPYGLKJ-YDHLFZDLSA-N 1 3 281.400 0.450 10 0 CCAEHO CC1(N2CCOCC2)CCC([NH+](CCO)CCO)CC1 ZINC000725262992 545883250 /nfs/dbraw/zinc/88/32/50/545883250.db2.gz ZXCJOCUOEWMERM-UHFFFAOYSA-N 1 3 286.416 0.307 10 0 CCAEHO CC[NH2+]CCCC(=O)Nc1ccnn1C1CNC1 ZINC000725260475 545882149 /nfs/dbraw/zinc/88/21/49/545882149.db2.gz TYKYWDWZJUNIDM-UHFFFAOYSA-N 1 3 251.334 0.356 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000261712829 544937050 /nfs/dbraw/zinc/93/70/50/544937050.db2.gz JJXIRRLIHARYBN-YNEHKIRRSA-N 1 3 251.374 0.811 10 0 CCAEHO CC1CC[NH+](CCN2CCO[C@H](CN(C)C)C2)CC1 ZINC000153843674 278541818 /nfs/dbraw/zinc/54/18/18/278541818.db2.gz HXCQKAQOJPYQSX-OAHLLOKOSA-N 1 3 269.433 0.981 10 0 CCAEHO CS[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000262565920 295643776 /nfs/dbraw/zinc/64/37/76/295643776.db2.gz LFTIOAUNFWKXDB-VXGBXAGGSA-N 1 3 271.430 0.490 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000389644757 545086772 /nfs/dbraw/zinc/08/67/72/545086772.db2.gz MDNFLYHRSNXGGB-AVGNSLFASA-N 1 3 253.390 0.975 10 0 CCAEHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557547 521741562 /nfs/dbraw/zinc/74/15/62/521741562.db2.gz QQBSPJQLSXHTCR-VHSXEESVSA-N 1 3 258.366 0.150 10 0 CCAEHO [NH3+]Cc1cn(CCN2CCc3ccccc3C2)nn1 ZINC000052419125 527262897 /nfs/dbraw/zinc/26/28/97/527262897.db2.gz DIXGAKYSDIITSL-UHFFFAOYSA-N 1 3 257.341 0.795 10 0 CCAEHO C[C@H](N)C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000409425207 581217596 /nfs/dbraw/zinc/21/75/96/581217596.db2.gz FKYUIPPVYPIPSD-JTQLQIEISA-N 1 3 257.403 0.373 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000262163368 631995157 /nfs/dbraw/zinc/99/51/57/631995157.db2.gz TVCLMTHHYBRRBI-LZQZFOIKSA-N 1 3 274.455 0.536 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)CCOC ZINC000092629885 649725743 /nfs/dbraw/zinc/72/57/43/649725743.db2.gz IJUBGNROTYQVFB-VXGBXAGGSA-N 1 3 257.378 0.293 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](N)CCOC ZINC000092629885 649725744 /nfs/dbraw/zinc/72/57/44/649725744.db2.gz IJUBGNROTYQVFB-VXGBXAGGSA-N 1 3 257.378 0.293 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000090954327 349445459 /nfs/dbraw/zinc/44/54/59/349445459.db2.gz XECDIODDAPDDEI-SECBINFHSA-N 1 3 268.386 0.420 10 0 CCAEHO C[C@H](N)C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186571916 136912549 /nfs/dbraw/zinc/91/25/49/136912549.db2.gz LSJSUWXHQDFHJK-GXTWGEPZSA-N 1 3 276.384 0.900 10 0 CCAEHO COCCCN(C)CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173504597 351042001 /nfs/dbraw/zinc/04/20/01/351042001.db2.gz VFKQOPSHYFXAOT-CQSZACIVSA-N 1 3 298.431 0.444 10 0 CCAEHO COCCCN(C)CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173504597 351042003 /nfs/dbraw/zinc/04/20/03/351042003.db2.gz VFKQOPSHYFXAOT-CQSZACIVSA-N 1 3 298.431 0.444 10 0 CCAEHO CNCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189019167 351647109 /nfs/dbraw/zinc/64/71/09/351647109.db2.gz MIINRDOJXWWSHK-GWCFXTLKSA-N 1 3 283.322 0.746 10 0 CCAEHO Cc1cc(NC(=O)CC[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)no1 ZINC000193634316 351837491 /nfs/dbraw/zinc/83/74/91/351837491.db2.gz RQXIRCUVUHVIDM-TXEJJXNPSA-N 1 3 278.356 0.805 10 0 CCAEHO Cc1cc(NC(=O)CC[N@H+]2C[C@H]3CN(C)C[C@H]3C2)no1 ZINC000193634316 351837493 /nfs/dbraw/zinc/83/74/93/351837493.db2.gz RQXIRCUVUHVIDM-TXEJJXNPSA-N 1 3 278.356 0.805 10 0 CCAEHO O[C@H](CNC[C@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000251096567 352509741 /nfs/dbraw/zinc/50/97/41/352509741.db2.gz JGHWQKNTJMISKK-MGPQQGTHSA-N 1 3 256.390 0.584 10 0 CCAEHO CN1CC=C(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333784563 354793061 /nfs/dbraw/zinc/79/30/61/354793061.db2.gz FEIUREBVLVQIJS-CYBMUJFWSA-N 1 3 266.389 0.690 10 0 CCAEHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000193590661 291192926 /nfs/dbraw/zinc/19/29/26/291192926.db2.gz DDVKZPSSMGLDKO-BXUZGUMPSA-N 1 3 273.380 0.739 10 0 CCAEHO [NH3+]CCN1CCN[C@H](c2cnnc3ccccc32)C1 ZINC000616601720 365381034 /nfs/dbraw/zinc/38/10/34/365381034.db2.gz IROLPAZMEOFBKM-AWEZNQCLSA-N 1 3 257.341 0.535 10 0 CCAEHO O=C(NCCN1CCCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764410 372210728 /nfs/dbraw/zinc/21/07/28/372210728.db2.gz SNBKMRZZDFABGV-JSGCOSHPSA-N 1 3 251.374 0.588 10 0 CCAEHO COCCN1CC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333448664 205328475 /nfs/dbraw/zinc/32/84/75/205328475.db2.gz XEPZLRFOMHCFCD-STQMWFEESA-N 1 3 284.404 0.148 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000638072110 374624833 /nfs/dbraw/zinc/62/48/33/374624833.db2.gz QFQXCFRQBDNKMP-KCQAQPDRSA-N 1 3 285.432 0.846 10 0 CCAEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000262235048 296243479 /nfs/dbraw/zinc/24/34/79/296243479.db2.gz MXXZAVVFMGYMST-LBPRGKRZSA-N 1 3 288.395 0.943 10 0 CCAEHO CC1CCN(CCNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649293572 390554484 /nfs/dbraw/zinc/55/44/84/390554484.db2.gz YNEVOBRJOVWKJM-ZDUSSCGKSA-N 1 3 269.389 0.071 10 0 CCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649298964 390558741 /nfs/dbraw/zinc/55/87/41/390558741.db2.gz OMDSBMIEGTUKHQ-OLZOCXBDSA-N 1 3 271.405 0.315 10 0 CCAEHO COC[C@@]1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000649299062 390558790 /nfs/dbraw/zinc/55/87/90/390558790.db2.gz WTVRGBVAFFVIJB-DZGCQCFKSA-N 1 3 283.416 0.555 10 0 CCAEHO COCCN1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180993573 292523436 /nfs/dbraw/zinc/52/34/36/292523436.db2.gz SFHQUMLMUVUKMC-HNNXBMFYSA-N 1 3 283.416 0.746 10 0 CCAEHO CCN(CCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000300409066 411743393 /nfs/dbraw/zinc/74/33/93/411743393.db2.gz ITDDRSFSWBKBLJ-AAEUAGOBSA-N 1 3 253.390 0.962 10 0 CCAEHO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCCNCC1 ZINC000653043851 412199064 /nfs/dbraw/zinc/19/90/64/412199064.db2.gz FNCDRSXRXFIXJY-RKDXNWHRSA-N 1 3 265.279 0.206 10 0 CCAEHO COC[C@@]1(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851594 414842503 /nfs/dbraw/zinc/84/25/03/414842503.db2.gz BXJZGQGIVNXCIX-IUODEOHRSA-N 1 3 283.416 0.744 10 0 CCAEHO CN(C[C@@H]1CC[N@H+](C)C1)CC1(CO)CCOCC1 ZINC000071191627 176069801 /nfs/dbraw/zinc/06/98/01/176069801.db2.gz LRUGBYNWZDGXGL-CYBMUJFWSA-N 1 3 256.390 0.659 10 0 CCAEHO CN(C[C@@H]1CC[N@@H+](C)C1)CC1(CO)CCOCC1 ZINC000071191627 176069802 /nfs/dbraw/zinc/06/98/02/176069802.db2.gz LRUGBYNWZDGXGL-CYBMUJFWSA-N 1 3 256.390 0.659 10 0 CCAEHO CCC[C@@H]([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725258031 545879543 /nfs/dbraw/zinc/87/95/43/545879543.db2.gz DGHHSOXXMATSMR-SECBINFHSA-N 1 3 251.334 0.483 10 0 CCAEHO CC(C)N1CCN([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264375 545884637 /nfs/dbraw/zinc/88/46/37/545884637.db2.gz JTSYLNQERZQSFV-KBPBESRZSA-N 1 3 267.417 0.909 10 0 CCAEHO CN1CCC([N@H+](C)[C@@H]2C[C@@H](N)C23CCOCC3)CC1 ZINC000725264492 545884887 /nfs/dbraw/zinc/88/48/87/545884887.db2.gz QRHUIFRFNNWCOC-ZIAGYGMSSA-N 1 3 267.417 0.909 10 0 CCAEHO CN1CCC([N@@H+](C)[C@@H]2C[C@@H](N)C23CCOCC3)CC1 ZINC000725264492 545884889 /nfs/dbraw/zinc/88/48/89/545884889.db2.gz QRHUIFRFNNWCOC-ZIAGYGMSSA-N 1 3 267.417 0.909 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000250645450 544923868 /nfs/dbraw/zinc/92/38/68/544923868.db2.gz JQJGWLRIWRXTBM-RWMBFGLXSA-N 1 3 251.374 0.668 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000091291286 289311721 /nfs/dbraw/zinc/31/17/21/289311721.db2.gz ZFHOAYCMLCDZNN-GHMZBOCLSA-N 1 3 257.403 0.244 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000334926537 289314040 /nfs/dbraw/zinc/31/40/40/289314040.db2.gz DGYQOUFWFAOROO-NWDGAFQWSA-N 1 3 254.378 0.474 10 0 CCAEHO CN1CCC(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000259058104 289870869 /nfs/dbraw/zinc/87/08/69/289870869.db2.gz NCSAKYCQABUFHP-LBPRGKRZSA-N 1 3 253.390 0.914 10 0 CCAEHO [NH3+]C[C@@H]1CCCN1C(=O)N[C@H]1CNCCC1(F)F ZINC000335295253 295252830 /nfs/dbraw/zinc/25/28/30/295252830.db2.gz PYIZSEUOQQEQST-IUCAKERBSA-N 1 3 262.304 0.116 10 0 CCAEHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000388659912 545086564 /nfs/dbraw/zinc/08/65/64/545086564.db2.gz BDUJMFQRNVNPNZ-HUUCEWRRSA-N 1 3 269.433 0.858 10 0 CCAEHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000388659912 545086565 /nfs/dbraw/zinc/08/65/65/545086565.db2.gz BDUJMFQRNVNPNZ-HUUCEWRRSA-N 1 3 269.433 0.858 10 0 CCAEHO CC[NH+](CC)C[C@@H](O)CN[C@H](CN(C)C)C(C)C ZINC000049204477 520721510 /nfs/dbraw/zinc/72/15/10/520721510.db2.gz AIKFPTPZFOPANA-UONOGXRCSA-N 1 3 259.438 0.865 10 0 CCAEHO CN(C)CCN1CCN([C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000061642701 521765172 /nfs/dbraw/zinc/76/51/72/521765172.db2.gz MUKAUTPRHWZBRY-NSHDSACASA-N 1 3 282.354 0.445 10 0 CCAEHO C[NH+](C)C[C@H]1CCCN1C[C@@](C)(NC1CC1)C(N)=O ZINC000061653001 521869449 /nfs/dbraw/zinc/86/94/49/521869449.db2.gz MDIUVDOREBUYTG-TZMCWYRMSA-N 1 3 268.405 0.008 10 0 CCAEHO CCN1CCN(CCC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261906176 535679126 /nfs/dbraw/zinc/67/91/26/535679126.db2.gz WXKUCBNJOLLFFT-LSDHHAIUSA-N 1 3 296.459 0.600 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@@]2(CC)CC[NH2+]C2)C1 ZINC000062898888 348672060 /nfs/dbraw/zinc/67/20/60/348672060.db2.gz JMYSRIUPPUGGLZ-OCCSQVGLSA-N 1 3 253.390 0.977 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000062973313 348674161 /nfs/dbraw/zinc/67/41/61/348674161.db2.gz HIUPLXIIBXLYJO-BFHYXJOUSA-N 1 3 281.400 0.450 10 0 CCAEHO CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)N(C)C ZINC000152088093 350517556 /nfs/dbraw/zinc/51/75/56/350517556.db2.gz ULZDXQRPVDZQSH-DZGCQCFKSA-N 1 3 299.459 0.878 10 0 CCAEHO COCCN1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170834447 350866860 /nfs/dbraw/zinc/86/68/60/350866860.db2.gz NLJVAHNGBATLCX-AWEZNQCLSA-N 1 3 298.431 0.443 10 0 CCAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC1CC1 ZINC000245985859 352344109 /nfs/dbraw/zinc/34/41/09/352344109.db2.gz QBZLSMRXVSLAJW-STQMWFEESA-N 1 3 251.374 0.824 10 0 CCAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC1CC1 ZINC000245985859 352344112 /nfs/dbraw/zinc/34/41/12/352344112.db2.gz QBZLSMRXVSLAJW-STQMWFEESA-N 1 3 251.374 0.824 10 0 CCAEHO COCCN(C)C[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000312824592 354211081 /nfs/dbraw/zinc/21/10/81/354211081.db2.gz UBHQBKYPBKUOHC-KFWWJZLASA-N 1 3 285.432 0.094 10 0 CCAEHO COCCN(C)C[C@H](O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000312824592 354211083 /nfs/dbraw/zinc/21/10/83/354211083.db2.gz UBHQBKYPBKUOHC-KFWWJZLASA-N 1 3 285.432 0.094 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335038748 354944754 /nfs/dbraw/zinc/94/47/54/354944754.db2.gz SDAHWKCCCBVOEM-NWDGAFQWSA-N 1 3 251.374 0.811 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766949 372214606 /nfs/dbraw/zinc/21/46/06/372214606.db2.gz CCFOTHPLOAFPCG-GUTXKFCHSA-N 1 3 265.401 0.929 10 0 CCAEHO CN(CCNC(=O)N[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000333405020 205291952 /nfs/dbraw/zinc/29/19/52/205291952.db2.gz QMFJNRONZPJUOS-LLVKDONJSA-N 1 3 254.378 0.522 10 0 CCAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000334257377 206267625 /nfs/dbraw/zinc/26/76/25/206267625.db2.gz NCRBRGPKTPTJNT-CYBMUJFWSA-N 1 3 280.416 0.960 10 0 CCAEHO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000334257377 206267628 /nfs/dbraw/zinc/26/76/28/206267628.db2.gz NCRBRGPKTPTJNT-CYBMUJFWSA-N 1 3 280.416 0.960 10 0 CCAEHO CN1C[C@@H]2C[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606571 389074567 /nfs/dbraw/zinc/07/45/67/389074567.db2.gz PZYVIDQHBKLXMX-FRRDWIJNSA-N 1 3 264.369 0.966 10 0 CCAEHO CN1C[C@@H]2C[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)C[C@@H]2C1 ZINC000193606571 389074569 /nfs/dbraw/zinc/07/45/69/389074569.db2.gz PZYVIDQHBKLXMX-FRRDWIJNSA-N 1 3 264.369 0.966 10 0 CCAEHO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CN2CCC1CC2 ZINC000311795627 389105366 /nfs/dbraw/zinc/10/53/66/389105366.db2.gz YYUDYFSGNGDNHX-GXTWGEPZSA-N 1 3 265.401 0.929 10 0 CCAEHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000252560722 389265320 /nfs/dbraw/zinc/26/53/20/389265320.db2.gz VVZASTAGEPUBLE-LOWDOPEQSA-N 1 3 267.373 0.093 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000333897363 389448413 /nfs/dbraw/zinc/44/84/13/389448413.db2.gz AZSFOBNXGIVBMB-SDDRHHMPSA-N 1 3 254.378 0.520 10 0 CCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CNC2CC2)CC1 ZINC000179855259 389663113 /nfs/dbraw/zinc/66/31/13/389663113.db2.gz GWGDCMDCAPAOLI-GFCCVEGCSA-N 1 3 283.416 0.290 10 0 CCAEHO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000648152397 390314395 /nfs/dbraw/zinc/31/43/95/390314395.db2.gz YEVRUOPADLHZLM-UWVGGRQHSA-N 1 3 261.316 0.394 10 0 CCAEHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643775493 390541236 /nfs/dbraw/zinc/54/12/36/390541236.db2.gz WSZKIMPAOAUMJI-QWHCGFSZSA-N 1 3 269.389 0.165 10 0 CCAEHO COC[C@]1(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCC[NH2+]1 ZINC000649333337 390590173 /nfs/dbraw/zinc/59/01/73/390590173.db2.gz NCXDJFBZWUAYCB-OBJOEFQTSA-N 1 3 269.389 0.354 10 0 CCAEHO C[C@H](CN1CCOCC1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089470 390576244 /nfs/dbraw/zinc/57/62/44/390576244.db2.gz AHKIAWBOCARQMZ-HZSPNIEDSA-N 1 3 255.406 0.685 10 0 CCAEHO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000566089470 390576246 /nfs/dbraw/zinc/57/62/46/390576246.db2.gz AHKIAWBOCARQMZ-HZSPNIEDSA-N 1 3 255.406 0.685 10 0 CCAEHO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CN2CCC1CC2 ZINC000380941177 397484114 /nfs/dbraw/zinc/48/41/14/397484114.db2.gz YAUGTQWVZPKIKK-MGPQQGTHSA-N 1 3 265.401 0.914 10 0 CCAEHO C[C@H](N)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000371559703 144336653 /nfs/dbraw/zinc/33/66/53/144336653.db2.gz KKNVXKZIDHJHAK-SCUASFONSA-N 1 3 259.353 0.580 10 0 CCAEHO C[C@H](N)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000371559703 144336654 /nfs/dbraw/zinc/33/66/54/144336654.db2.gz KKNVXKZIDHJHAK-SCUASFONSA-N 1 3 259.353 0.580 10 0 CCAEHO CC[C@](C)(C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725257952 545880328 /nfs/dbraw/zinc/88/03/28/545880328.db2.gz AQHJHACYQIPLHI-GFCCVEGCSA-N 1 3 251.334 0.341 10 0 CCAEHO CC(C)(CC[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725258182 545880773 /nfs/dbraw/zinc/88/07/73/545880773.db2.gz JOCLTRSSIAHOSQ-UHFFFAOYSA-N 1 3 251.334 0.341 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CCN1C ZINC000252087106 544928967 /nfs/dbraw/zinc/92/89/67/544928967.db2.gz GQJWKDCJRLGSNV-XQHKEYJVSA-N 1 3 253.390 0.960 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000334928252 289293117 /nfs/dbraw/zinc/29/31/17/289293117.db2.gz JAUAOETVRFZMKM-QWHCGFSZSA-N 1 3 268.405 0.864 10 0 CCAEHO N[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000335063399 295343404 /nfs/dbraw/zinc/34/34/04/295343404.db2.gz URJZOILWDUFMIM-STQMWFEESA-N 1 3 259.353 0.903 10 0 CCAEHO CN1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170862672 327668409 /nfs/dbraw/zinc/66/84/09/327668409.db2.gz AYWGSHUYWAKUAD-GFCCVEGCSA-N 1 3 254.378 0.426 10 0 CCAEHO CCN(CCC[NH2+][C@H](C)[C@@H]1CCCNC1)S(C)(=O)=O ZINC000580768417 335964121 /nfs/dbraw/zinc/96/41/21/335964121.db2.gz CGBPRTHBFZWPDI-CHWSQXEVSA-N 1 3 291.461 0.636 10 0 CCAEHO CN(C)CCN1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000061653809 521765087 /nfs/dbraw/zinc/76/50/87/521765087.db2.gz ZXGRIUPEWJVBLH-CABCVRRESA-N 1 3 268.449 0.683 10 0 CCAEHO CC(C)(C)N1CCN(C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052571649 518710765 /nfs/dbraw/zinc/71/07/65/518710765.db2.gz CLBOVGJAZSRQGN-OLZOCXBDSA-N 1 3 255.406 0.909 10 0 CCAEHO CC(C)CC[NH2+]CCN1CCN(CCN(C)C)CC1 ZINC000061655347 519662698 /nfs/dbraw/zinc/66/26/98/519662698.db2.gz JFRLBLNLPXAKFF-UHFFFAOYSA-N 1 3 270.465 0.801 10 0 CCAEHO CN(C)C[C@H]1CCCN1C(=O)C1(C[NH3+])CCOCC1 ZINC000061644057 521861523 /nfs/dbraw/zinc/86/15/23/521861523.db2.gz AAUGABKSJARKRG-GFCCVEGCSA-N 1 3 269.389 0.295 10 0 CCAEHO CC[C@H](C)[C@H](N)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645238 521944925 /nfs/dbraw/zinc/94/49/25/521944925.db2.gz AASQICXWMNVMHC-STQMWFEESA-N 1 3 270.421 0.066 10 0 CCAEHO C[NH2+]CCS(=O)(=O)NCCN(C(C)C)C(C)C ZINC000049629880 522013430 /nfs/dbraw/zinc/01/34/30/522013430.db2.gz ZIBQZRUYCONJDC-UHFFFAOYSA-N 1 3 265.423 0.244 10 0 CCAEHO CNCc1c(C)nn(C)c1N1CCC[C@H]1C[NH+](C)C ZINC000061646048 522101501 /nfs/dbraw/zinc/10/15/01/522101501.db2.gz NFORFKQZVUZDJF-LBPRGKRZSA-N 1 3 265.405 0.978 10 0 CCAEHO CC[C@H](C)N1CCN([C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000055065862 523958586 /nfs/dbraw/zinc/95/85/86/523958586.db2.gz OPDWEMCZYDXKPZ-MELADBBJSA-N 1 3 255.406 0.779 10 0 CCAEHO CC[C@H](C)N1CCN([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055063664 523959121 /nfs/dbraw/zinc/95/91/21/523959121.db2.gz RTBZPJGLMSAFAS-GXTWGEPZSA-N 1 3 265.405 0.836 10 0 CCAEHO C[C@H]([NH3+])[C@@H](c1cnn(C)c1)N(C)[C@@H]1CCCN(C)C1 ZINC000053205388 524838653 /nfs/dbraw/zinc/83/86/53/524838653.db2.gz PDNRIVPUBGCGLB-YUTCNCBUSA-N 1 3 265.405 0.834 10 0 CCAEHO CSCC[C@H](N)C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000049184831 525585748 /nfs/dbraw/zinc/58/57/48/525585748.db2.gz KOAUBYVJEJMYMH-MNOVXSKESA-N 1 3 259.419 0.667 10 0 CCAEHO [NH3+]C[C@H]1CC[C@@H](CN2CCN(CC3CC3)CC2)O1 ZINC000052372474 527239057 /nfs/dbraw/zinc/23/90/57/527239057.db2.gz NMBDZUAFQQKADU-KGLIPLIRSA-N 1 3 253.390 0.520 10 0 CCAEHO C[C@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CCN1C ZINC000398959562 581206495 /nfs/dbraw/zinc/20/64/95/581206495.db2.gz LJIPIARBAGSTOE-GXTWGEPZSA-N 1 3 255.406 0.515 10 0 CCAEHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000094459724 349568145 /nfs/dbraw/zinc/56/81/45/349568145.db2.gz OWVCZPJWSLVTMW-QWHCGFSZSA-N 1 3 281.400 0.450 10 0 CCAEHO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCCNCC2)C1 ZINC000334937232 282265929 /nfs/dbraw/zinc/26/59/29/282265929.db2.gz LWLUZYNCSVMUKN-NEPJUHHUSA-N 1 3 254.378 0.474 10 0 CCAEHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263283159 137062725 /nfs/dbraw/zinc/06/27/25/137062725.db2.gz UOJBZBFJTPDHDP-SIXLDLHFSA-N 1 3 289.423 0.992 10 0 CCAEHO C[N@H+](CCNC(=O)C(C)(C)N1CCNCC1)C1CCCC1 ZINC000129746641 350222086 /nfs/dbraw/zinc/22/20/86/350222086.db2.gz IBWNYTGZJIXHKN-UHFFFAOYSA-N 1 3 296.459 0.661 10 0 CCAEHO C[N@@H+](CCNC(=O)C(C)(C)N1CCNCC1)C1CCCC1 ZINC000129746641 350222089 /nfs/dbraw/zinc/22/20/89/350222089.db2.gz IBWNYTGZJIXHKN-UHFFFAOYSA-N 1 3 296.459 0.661 10 0 CCAEHO COCC1(C(=O)N2CC[C@@H](N(C)C)C2)CC[NH2+]CC1 ZINC000234644188 352164806 /nfs/dbraw/zinc/16/48/06/352164806.db2.gz OBKSQMDLIAHHES-GFCCVEGCSA-N 1 3 269.389 0.165 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)C1 ZINC000249392140 352489854 /nfs/dbraw/zinc/48/98/54/352489854.db2.gz GEQOSDHXRMKWCD-WUHRBBMRSA-N 1 3 269.389 0.208 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250211148 352503455 /nfs/dbraw/zinc/50/34/55/352503455.db2.gz CPRXTYZRPPWGKS-CHWSQXEVSA-N 1 3 253.390 0.977 10 0 CCAEHO C[NH2+]CC(=O)N1CCC(N2CCSCC2)CC1 ZINC000409427438 358112344 /nfs/dbraw/zinc/11/23/44/358112344.db2.gz KJTVIQJAADPJJX-UHFFFAOYSA-N 1 3 257.403 0.246 10 0 CCAEHO CO[C@@H]1[C@H](C)[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C12CCC2 ZINC000262074370 294034197 /nfs/dbraw/zinc/03/41/97/294034197.db2.gz CWVLZJATRCYWSA-RXGFPQBGSA-N 1 3 254.374 0.360 10 0 CCAEHO Cc1cc(NC(=O)CCN2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000631840366 370705756 /nfs/dbraw/zinc/70/57/56/370705756.db2.gz SECWSCVGWCGPNI-GXSJLCMTSA-N 1 3 266.345 0.260 10 0 CCAEHO CC(=O)Nc1ccc([C@@H]2CNCCN2CC[NH3+])cc1 ZINC000616635378 365396024 /nfs/dbraw/zinc/39/60/24/365396024.db2.gz FKYFKNBSYJLKCP-AWEZNQCLSA-N 1 3 262.357 0.550 10 0 CCAEHO [NH3+]CCN1CCN[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616654697 365410028 /nfs/dbraw/zinc/41/00/28/365410028.db2.gz MVPQPPNKGNXYTP-CQSZACIVSA-N 1 3 257.341 0.535 10 0 CCAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(C)CC2)C1 ZINC000334368723 285230577 /nfs/dbraw/zinc/23/05/77/285230577.db2.gz MHESNRUQZAZUPM-CYBMUJFWSA-N 1 3 268.405 0.818 10 0 CCAEHO CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(C)CC2)C1 ZINC000334368723 285230584 /nfs/dbraw/zinc/23/05/84/285230584.db2.gz MHESNRUQZAZUPM-CYBMUJFWSA-N 1 3 268.405 0.818 10 0 CCAEHO C[C@H]1CN(Cc2ccccc2)CCCN1[C@@H]1C[NH2+]C[C@H]1O ZINC000306786833 389091032 /nfs/dbraw/zinc/09/10/32/389091032.db2.gz PRKPRRMWPWAVMK-USXIJHARSA-N 1 3 289.423 0.916 10 0 CCAEHO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000219944692 389138471 /nfs/dbraw/zinc/13/84/71/389138471.db2.gz OQGXWJATPHHLKJ-RYUDHWBXSA-N 1 3 253.390 0.975 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000170830567 389464156 /nfs/dbraw/zinc/46/41/56/389464156.db2.gz LZGKUHRZGXBAFF-TZMCWYRMSA-N 1 3 280.416 0.816 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000170830567 389464159 /nfs/dbraw/zinc/46/41/59/389464159.db2.gz LZGKUHRZGXBAFF-TZMCWYRMSA-N 1 3 280.416 0.816 10 0 CCAEHO COC[C@@]1(C(=O)N2CCN3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000649328099 390586295 /nfs/dbraw/zinc/58/62/95/390586295.db2.gz XJMMOFMIADJPIW-TZMCWYRMSA-N 1 3 267.373 0.062 10 0 CCAEHO COC[C@@]1(C(=O)N[C@H](CC(C)C)CN(C)C)CCC[NH2+]1 ZINC000649298869 390559113 /nfs/dbraw/zinc/55/91/13/390559113.db2.gz DGLKIIZQBVAUGJ-UKRRQHHQSA-N 1 3 285.432 0.848 10 0 CCAEHO C[C@H](CN1CCOCC1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566089473 390576105 /nfs/dbraw/zinc/57/61/05/390576105.db2.gz AHKIAWBOCARQMZ-RDBSUJKOSA-N 1 3 255.406 0.685 10 0 CCAEHO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000566089473 390576111 /nfs/dbraw/zinc/57/61/11/390576111.db2.gz AHKIAWBOCARQMZ-RDBSUJKOSA-N 1 3 255.406 0.685 10 0 CCAEHO CC(C)[C@H](CNC(=O)C[C@H](C)[NH3+])N1CCN(C)CC1 ZINC000040770610 397392890 /nfs/dbraw/zinc/39/28/90/397392890.db2.gz PUCVAIRRYUEMLE-STQMWFEESA-N 1 3 270.421 0.112 10 0 CCAEHO CCN1CCN([C@]2(C[NH3+])CN3CCC2CC3)CC1 ZINC000020442257 171205344 /nfs/dbraw/zinc/20/53/44/171205344.db2.gz QYVAMLKOHSZNNO-CQSZACIVSA-N 1 3 252.406 0.047 10 0 CCAEHO CN(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653139796 412240108 /nfs/dbraw/zinc/24/01/08/412240108.db2.gz XJAYNOKJQALLTP-HTQZYQBOSA-N 1 3 253.268 0.062 10 0 CCAEHO COC[C@]1(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCC[NH2+]1 ZINC000662851601 414842620 /nfs/dbraw/zinc/84/26/20/414842620.db2.gz BXJZGQGIVNXCIX-WFASDCNBSA-N 1 3 283.416 0.744 10 0 CCAEHO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)[C@H]1CCCNC1 ZINC000665230874 415570445 /nfs/dbraw/zinc/57/04/45/415570445.db2.gz XKXXWZKBOLQANY-RYUDHWBXSA-N 1 3 277.434 0.246 10 0 CCAEHO CN(C)C[C@H](NC(=O)COCC[NH3+])c1ccccc1 ZINC000093231873 544540327 /nfs/dbraw/zinc/54/03/27/544540327.db2.gz YKLVIUSHZLVZRR-ZDUSSCGKSA-N 1 3 265.357 0.381 10 0 CCAEHO CN(C)CCOCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000234262196 544867148 /nfs/dbraw/zinc/86/71/48/544867148.db2.gz XAIJJJIFLQGTCZ-GFCCVEGCSA-N 1 3 257.378 0.071 10 0 CCAEHO CC(C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)N1CCCCC1 ZINC000262146363 544942163 /nfs/dbraw/zinc/94/21/63/544942163.db2.gz HMJMVYGWKAGTTF-MELADBBJSA-N 1 3 283.416 0.193 10 0 CCAEHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000162040124 277078362 /nfs/dbraw/zinc/07/83/62/277078362.db2.gz OYPRYFJTDWXIFC-GJZGRUSLSA-N 1 3 267.417 0.877 10 0 CCAEHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000162040124 277078364 /nfs/dbraw/zinc/07/83/64/277078364.db2.gz OYPRYFJTDWXIFC-GJZGRUSLSA-N 1 3 267.417 0.877 10 0 CCAEHO CO[C@H]1C[C@@H](CO)[N@H+](CCCN2CCCCC2)C1 ZINC000344683474 277348498 /nfs/dbraw/zinc/34/84/98/277348498.db2.gz UXBVJUJBXKTAOJ-KBPBESRZSA-N 1 3 256.390 0.944 10 0 CCAEHO CO[C@H]1C[C@@H](CO)[N@@H+](CCCN2CCCCC2)C1 ZINC000344683474 277348500 /nfs/dbraw/zinc/34/85/00/277348500.db2.gz UXBVJUJBXKTAOJ-KBPBESRZSA-N 1 3 256.390 0.944 10 0 CCAEHO CC(C)[C@H](N)C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000095088015 280272463 /nfs/dbraw/zinc/27/24/63/280272463.db2.gz XUXCIOSNEHZUNR-LBPRGKRZSA-N 1 3 253.390 0.914 10 0 CCAEHO CC(C)[C@H](N)C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000095088015 280272464 /nfs/dbraw/zinc/27/24/64/280272464.db2.gz XUXCIOSNEHZUNR-LBPRGKRZSA-N 1 3 253.390 0.914 10 0 CCAEHO CC1(C)CN(C(=O)N[C@@H]2CNCCC2(F)F)CC[C@@H]1[NH3+] ZINC000335294342 281182527 /nfs/dbraw/zinc/18/25/27/281182527.db2.gz LDTOHAMIZSKADW-VHSXEESVSA-N 1 3 290.358 0.752 10 0 CCAEHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@H](N3CCCCC3)C2)O1 ZINC000094571811 295274717 /nfs/dbraw/zinc/27/47/17/295274717.db2.gz OIKYRTWBSVQFIS-MJBXVCDLSA-N 1 3 281.400 0.580 10 0 CCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163910474 519338895 /nfs/dbraw/zinc/33/88/95/519338895.db2.gz WRVXJWFXLJWLHX-DGCLKSJQSA-N 1 3 255.406 0.934 10 0 CCAEHO CC(C)CN1CCN(CCN2CCC[NH2+]CC2)CC1 ZINC000061275916 519726115 /nfs/dbraw/zinc/72/61/15/519726115.db2.gz DBSKRMXIUAZOCN-UHFFFAOYSA-N 1 3 268.449 0.555 10 0 CCAEHO CCC(CC)[C@H](CNC(=O)[C@@H](N)CCOC)[NH+](C)C ZINC000052809794 521616763 /nfs/dbraw/zinc/61/67/63/521616763.db2.gz PARSDINHDHKNJQ-STQMWFEESA-N 1 3 273.421 0.833 10 0 CCAEHO CN(C)CCN1CCN(CCC[NH2+]C2CC2)CC1 ZINC000061652166 521764561 /nfs/dbraw/zinc/76/45/61/521764561.db2.gz RBBNGNZPAGTEJY-UHFFFAOYSA-N 1 3 254.422 0.308 10 0 CCAEHO CN(C)C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000061645156 521861105 /nfs/dbraw/zinc/86/11/05/521861105.db2.gz CXDVFTUEVODIAC-CHWSQXEVSA-N 1 3 253.390 0.929 10 0 CCAEHO CC[C@@](C)(C[NH3+])CN1CCN(CCN(C)C)CC1 ZINC000061653752 523639076 /nfs/dbraw/zinc/63/90/76/523639076.db2.gz ZCPOJCWPXBWACD-AWEZNQCLSA-N 1 3 256.438 0.541 10 0 CCAEHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455239 631353165 /nfs/dbraw/zinc/35/31/65/631353165.db2.gz CKSYNRSNVGOOPF-SRVKXCTJSA-N 1 3 255.362 0.045 10 0 CCAEHO COCC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455239 631353169 /nfs/dbraw/zinc/35/31/69/631353169.db2.gz CKSYNRSNVGOOPF-SRVKXCTJSA-N 1 3 255.362 0.045 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252651477 649830629 /nfs/dbraw/zinc/83/06/29/649830629.db2.gz OLQHRMIRGOADRA-FQUUOJAGSA-N 1 3 281.400 0.354 10 0 CCAEHO CCC[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)N(C)C ZINC000153129104 290674207 /nfs/dbraw/zinc/67/42/07/290674207.db2.gz GSPSJLGMHYQNLX-AWEZNQCLSA-N 1 3 285.432 0.680 10 0 CCAEHO CCN1CCC(NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261833439 137022078 /nfs/dbraw/zinc/02/20/78/137022078.db2.gz YYWBMXPAXYCQMQ-AWEZNQCLSA-N 1 3 296.459 0.646 10 0 CCAEHO CN1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054292202 348548031 /nfs/dbraw/zinc/54/80/31/348548031.db2.gz RPDZOMYCTPPDOJ-STQMWFEESA-N 1 3 253.390 0.834 10 0 CCAEHO CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)O1 ZINC000193068710 351809960 /nfs/dbraw/zinc/80/99/60/351809960.db2.gz ZIHGVJRBIXOXIT-OLMTUDMXSA-N 1 3 295.427 0.837 10 0 CCAEHO C[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000247478037 352417364 /nfs/dbraw/zinc/41/73/64/352417364.db2.gz IRVKPXIJELSGGI-OCCSQVGLSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000247478037 352417366 /nfs/dbraw/zinc/41/73/66/352417366.db2.gz IRVKPXIJELSGGI-OCCSQVGLSA-N 1 3 280.416 0.959 10 0 CCAEHO Cc1ccnc(NC(CN)C[NH3+])c1Br ZINC000306600652 354175896 /nfs/dbraw/zinc/17/58/96/354175896.db2.gz UAQPCFQKJXJBHX-UHFFFAOYSA-N 1 3 259.151 0.850 10 0 CCAEHO C[NH+](C)C[C@H]1CN(C(=O)c2conc2C(C)(C)N)CCO1 ZINC000565214900 291361470 /nfs/dbraw/zinc/36/14/70/291361470.db2.gz QKWPCENHMCGBAI-JTQLQIEISA-N 1 3 296.371 0.271 10 0 CCAEHO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000219944755 389138382 /nfs/dbraw/zinc/13/83/82/389138382.db2.gz OQGXWJATPHHLKJ-NWDGAFQWSA-N 1 3 253.390 0.975 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646140805 390616649 /nfs/dbraw/zinc/61/66/49/390616649.db2.gz XPEGNXVYQXUIOA-VXGBXAGGSA-N 1 3 253.390 0.927 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000089456813 544513500 /nfs/dbraw/zinc/51/35/00/544513500.db2.gz JQJGWLRIWRXTBM-XQQFMLRXSA-N 1 3 251.374 0.668 10 0 CCAEHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000408095735 288079807 /nfs/dbraw/zinc/07/98/07/288079807.db2.gz PRKPHWJYXGYSDS-JHJVBQTASA-N 1 3 289.445 0.340 10 0 CCAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000408095735 288079809 /nfs/dbraw/zinc/07/98/09/288079809.db2.gz PRKPHWJYXGYSDS-JHJVBQTASA-N 1 3 289.445 0.340 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246193419 279333092 /nfs/dbraw/zinc/33/30/92/279333092.db2.gz MNGCFSDJPUZGKM-KBPBESRZSA-N 1 3 298.431 0.443 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246193419 279333093 /nfs/dbraw/zinc/33/30/93/279333093.db2.gz MNGCFSDJPUZGKM-KBPBESRZSA-N 1 3 298.431 0.443 10 0 CCAEHO CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000334928249 289370694 /nfs/dbraw/zinc/37/06/94/289370694.db2.gz JAUAOETVRFZMKM-OLZOCXBDSA-N 1 3 268.405 0.864 10 0 CCAEHO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCCNCC2)C1 ZINC000334937234 289393284 /nfs/dbraw/zinc/39/32/84/289393284.db2.gz LWLUZYNCSVMUKN-RYUDHWBXSA-N 1 3 254.378 0.474 10 0 CCAEHO CC[NH2+][C@@H](CCN1CCN(C(C)(C)C)CC1)C(N)=O ZINC000062523650 520087620 /nfs/dbraw/zinc/08/76/20/520087620.db2.gz FIBQGOFKQDZPCC-LBPRGKRZSA-N 1 3 270.421 0.256 10 0 CCAEHO CCC[NH2+][C@H](CN1CCN([C@H](C)CC)CC1)C(N)=O ZINC000055070544 520081897 /nfs/dbraw/zinc/08/18/97/520081897.db2.gz CPXZPZUFZJFRBR-CHWSQXEVSA-N 1 3 270.421 0.256 10 0 CCAEHO C[C@H](CCN(C)C)[NH2+][C@@H](C)C(=O)N1CCOCC1 ZINC000049557532 524167030 /nfs/dbraw/zinc/16/70/30/524167030.db2.gz QWAFFTSKRRSLBR-NEPJUHHUSA-N 1 3 257.378 0.164 10 0 CCAEHO [NH3+]Cc1ccc(NC(=O)CCN2CC[C@H](O)C2)cc1 ZINC000061710169 527256124 /nfs/dbraw/zinc/25/61/24/527256124.db2.gz UKQALMJBXINFSW-ZDUSSCGKSA-N 1 3 263.341 0.541 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000111758132 349776125 /nfs/dbraw/zinc/77/61/25/349776125.db2.gz YUDZNTRZNGWMPN-GFCCVEGCSA-N 1 3 269.389 0.356 10 0 CCAEHO COc1ccc([C@H](C)CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263142267 137059090 /nfs/dbraw/zinc/05/90/90/137059090.db2.gz CJWLYTRKNFKZQU-ZLDLUXBVSA-N 1 3 264.369 0.969 10 0 CCAEHO CN(C(=O)C1C[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000262264917 137033489 /nfs/dbraw/zinc/03/34/89/137033489.db2.gz RWMHDVNVOPZOTN-UHFFFAOYSA-N 1 3 291.399 0.025 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000062972145 348673454 /nfs/dbraw/zinc/67/34/54/348673454.db2.gz XIXUCJCUTCEKKV-CHWSQXEVSA-N 1 3 253.390 0.929 10 0 CCAEHO [NH3+]CC1(C(=O)N2CC[C@H](N3CCCC3)C2)CCOCC1 ZINC000062976482 348674519 /nfs/dbraw/zinc/67/45/19/348674519.db2.gz ZSZSKPXCHWTMBI-ZDUSSCGKSA-N 1 3 281.400 0.439 10 0 CCAEHO Cc1cc2n(n1)C[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)CN2 ZINC000069327530 348840396 /nfs/dbraw/zinc/84/03/96/348840396.db2.gz VLOVPPYMCJRVGY-UONOGXRCSA-N 1 3 293.415 0.280 10 0 CCAEHO C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)N(C)C1CC1 ZINC000333358166 354756952 /nfs/dbraw/zinc/75/69/52/354756952.db2.gz KRTIULIMRXNWEZ-VXGBXAGGSA-N 1 3 268.405 0.910 10 0 CCAEHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000404962263 357822181 /nfs/dbraw/zinc/82/21/81/357822181.db2.gz QIYLCJFQHYBILR-QWHCGFSZSA-N 1 3 253.390 0.929 10 0 CCAEHO CC(=O)Nc1ccccc1[C@@H]1CNCCN1CC[NH3+] ZINC000616602969 365382232 /nfs/dbraw/zinc/38/22/32/365382232.db2.gz DADYVVGXFHGXAF-AWEZNQCLSA-N 1 3 262.357 0.550 10 0 CCAEHO CC(=O)Nc1ccc([C@@H]2CN(CC[NH3+])CCN2)cc1 ZINC000616634569 365394244 /nfs/dbraw/zinc/39/42/44/365394244.db2.gz VKCWELQBHFQVSE-AWEZNQCLSA-N 1 3 262.357 0.550 10 0 CCAEHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000334257378 206266376 /nfs/dbraw/zinc/26/63/76/206266376.db2.gz NCRBRGPKTPTJNT-ZDUSSCGKSA-N 1 3 280.416 0.960 10 0 CCAEHO CC[N@H+]1CCC[C@H](NC(=O)N2CCN3CCC2CC3)C1 ZINC000334257378 206266379 /nfs/dbraw/zinc/26/63/79/206266379.db2.gz NCRBRGPKTPTJNT-ZDUSSCGKSA-N 1 3 280.416 0.960 10 0 CCAEHO CN1CCC(O)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000344120337 389278548 /nfs/dbraw/zinc/27/85/48/389278548.db2.gz ZLEMBLPWFCSYTI-JHJVBQTASA-N 1 3 268.401 0.846 10 0 CCAEHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@@H]1[NH3+] ZINC000333687387 389440279 /nfs/dbraw/zinc/44/02/79/389440279.db2.gz CFEGHCSIPFKOPO-XBFCOCLRSA-N 1 3 280.416 0.992 10 0 CCAEHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CNCCOC1 ZINC000649276645 390544699 /nfs/dbraw/zinc/54/46/99/390544699.db2.gz VHWXCBAZTWGUHS-ZIAGYGMSSA-N 1 3 285.432 0.849 10 0 CCAEHO COC[C@]1(C(=O)N[C@@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000649293968 390555669 /nfs/dbraw/zinc/55/56/69/390555669.db2.gz UONIJZLJBHYXKS-ZFWWWQNUSA-N 1 3 283.416 0.746 10 0 CCAEHO COC[C@]1(C(=O)N2CC[C@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000649316916 390574997 /nfs/dbraw/zinc/57/49/97/390574997.db2.gz ZBOHWCBGVKIDRM-ZFWWWQNUSA-N 1 3 281.400 0.452 10 0 CCAEHO c1cc(NC[C@H]2CSCCN2)n(C2C[NH2+]C2)n1 ZINC000725258011 545880867 /nfs/dbraw/zinc/88/08/67/545880867.db2.gz CWASLOYRZMMEHS-VIFPVBQESA-N 1 3 253.375 0.144 10 0 CCAEHO CCC[C@@](C)(N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258135 545879898 /nfs/dbraw/zinc/87/98/98/545879898.db2.gz HUWKLDCSTLHESN-GFCCVEGCSA-N 1 3 251.334 0.483 10 0 CCAEHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262075441 544939034 /nfs/dbraw/zinc/93/90/34/544939034.db2.gz CADNZXYDKYNDNS-ZIAGYGMSSA-N 1 3 277.368 0.058 10 0 CCAEHO NC(C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000334844307 545047420 /nfs/dbraw/zinc/04/74/20/545047420.db2.gz JLLVQVPFBPHHHM-PSASIEDQSA-N 1 3 265.279 0.478 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)[C@@H]2C1 ZINC000333817395 290153007 /nfs/dbraw/zinc/15/30/07/290153007.db2.gz KIFBYMJMGVFQRF-JHJVBQTASA-N 1 3 266.389 0.459 10 0 CCAEHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333667188 294610513 /nfs/dbraw/zinc/61/05/13/294610513.db2.gz MMEKYXGEXARSPE-IHRRRGAJSA-N 1 3 296.415 0.243 10 0 CCAEHO N[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)C1CCOCC1 ZINC000262022343 295327243 /nfs/dbraw/zinc/32/72/43/295327243.db2.gz OVTKKFGLFQSKOJ-HNNXBMFYSA-N 1 3 295.427 0.827 10 0 CCAEHO O=C(CCN1CCC([NH+]2CCCC2)CC1)N1CCNCC1 ZINC000262117137 295473350 /nfs/dbraw/zinc/47/33/50/295473350.db2.gz MZQQOCTVEDEVNA-UHFFFAOYSA-N 1 3 294.443 0.369 10 0 CCAEHO CCCN1CC[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000389615545 545086952 /nfs/dbraw/zinc/08/69/52/545086952.db2.gz ZEILJXXODOEVQT-ZDUSSCGKSA-N 1 3 282.432 0.271 10 0 CCAEHO CCN(CCC[NH2+][C@H](C)[C@H]1CCCNC1)S(C)(=O)=O ZINC000580768418 335964148 /nfs/dbraw/zinc/96/41/48/335964148.db2.gz CGBPRTHBFZWPDI-OLZOCXBDSA-N 1 3 291.461 0.636 10 0 CCAEHO C(CN1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565573 518387754 /nfs/dbraw/zinc/38/77/54/518387754.db2.gz XSAKMFOJTBOYMU-KGLIPLIRSA-N 1 3 253.390 0.535 10 0 CCAEHO C(CN1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000049565573 518387772 /nfs/dbraw/zinc/38/77/72/518387772.db2.gz XSAKMFOJTBOYMU-KGLIPLIRSA-N 1 3 253.390 0.535 10 0 CCAEHO CC(C)(C)N1CCN(C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052571650 518711352 /nfs/dbraw/zinc/71/13/52/518711352.db2.gz CLBOVGJAZSRQGN-CHWSQXEVSA-N 1 3 255.406 0.909 10 0 CCAEHO CC(C)CN1CCN([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055077014 519727524 /nfs/dbraw/zinc/72/75/24/519727524.db2.gz SBKNYDVXDMBAQJ-AWEZNQCLSA-N 1 3 265.405 0.694 10 0 CCAEHO CC[NH2+]C[C@H]1CC[C@H](CN2CCN(CC)CC2)O1 ZINC000052422486 519981655 /nfs/dbraw/zinc/98/16/55/519981655.db2.gz MWERYMWATXSYJY-ZIAGYGMSSA-N 1 3 255.406 0.781 10 0 CCAEHO C[NH2+][C@@H]1CCOC[C@@H]1N1CCN(C2CCCC2)CC1 ZINC000052061340 522394740 /nfs/dbraw/zinc/39/47/40/522394740.db2.gz HBVWVYXEDLZZMG-CABCVRRESA-N 1 3 267.417 0.924 10 0 CCAEHO Cc1nccn1CCN1CCCN(CC[NH3+])CC1 ZINC000049329600 527426437 /nfs/dbraw/zinc/42/64/37/527426437.db2.gz NFAARRXXEPAGLC-UHFFFAOYSA-N 1 3 251.378 0.158 10 0 CCAEHO COC[C@H](C)OC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226468817 636985732 /nfs/dbraw/zinc/98/57/32/636985732.db2.gz SORCNXLGEFBIRM-BFHYXJOUSA-N 1 3 274.405 0.473 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000090954328 349445505 /nfs/dbraw/zinc/44/55/05/349445505.db2.gz XECDIODDAPDDEI-VIFPVBQESA-N 1 3 268.386 0.420 10 0 CCAEHO C[C@@H](C(=O)NCCN1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000262433352 137043408 /nfs/dbraw/zinc/04/34/08/137043408.db2.gz UCDFRCWOICXEBG-VXGBXAGGSA-N 1 3 253.390 0.833 10 0 CCAEHO C[C@H](Cc1nc([C@@H]2CNCCN2C)no1)C1CC[NH2+]CC1 ZINC000263312601 137063888 /nfs/dbraw/zinc/06/38/88/137063888.db2.gz YZHNUPAWHRYPIQ-YPMHNXCESA-N 1 3 293.415 0.824 10 0 CCAEHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000037766059 348202368 /nfs/dbraw/zinc/20/23/68/348202368.db2.gz OCOFPFBDJFSFIY-OCCSQVGLSA-N 1 3 293.367 0.288 10 0 CCAEHO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)N2CCNCC2)C1 ZINC000129743405 350222105 /nfs/dbraw/zinc/22/21/05/350222105.db2.gz RBTFSRKWCYYVFG-AWEZNQCLSA-N 1 3 296.459 0.613 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000168420818 350825873 /nfs/dbraw/zinc/82/58/73/350825873.db2.gz LXGBKIYREUDZHF-YPMHNXCESA-N 1 3 257.353 0.631 10 0 CCAEHO COCCCN(C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000181010079 351298452 /nfs/dbraw/zinc/29/84/52/351298452.db2.gz OUAZCVKAGRUESD-AWEZNQCLSA-N 1 3 271.405 0.603 10 0 CCAEHO [NH3+][C@H](CNC(=O)[C@H]1C[C@H](F)CN1)c1ccccc1 ZINC000188185133 351578810 /nfs/dbraw/zinc/57/88/10/351578810.db2.gz IDIKJBOVXGFCEQ-QJPTWQEYSA-N 1 3 251.305 0.503 10 0 CCAEHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCOCC1 ZINC000192634649 351792718 /nfs/dbraw/zinc/79/27/18/351792718.db2.gz FEOIOZBQCBBAOV-AVOUXACISA-N 1 3 267.417 0.922 10 0 CCAEHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCOCC1 ZINC000192634649 351792721 /nfs/dbraw/zinc/79/27/21/351792721.db2.gz FEOIOZBQCBBAOV-AVOUXACISA-N 1 3 267.417 0.922 10 0 CCAEHO CN(C)CCOCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000219309228 351966536 /nfs/dbraw/zinc/96/65/36/351966536.db2.gz IXFFUMZHVFGCDN-UPJWGTAASA-N 1 3 256.390 0.968 10 0 CCAEHO O=C(CNC[C@H]1CCCO1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328634699 354243332 /nfs/dbraw/zinc/24/33/32/354243332.db2.gz MYBZYJFHRMQNGS-GXTWGEPZSA-N 1 3 281.400 0.498 10 0 CCAEHO [NH3+]CCN1CCNC[C@@H]1c1ccc2ccnnc2c1 ZINC000616636608 365396722 /nfs/dbraw/zinc/39/67/22/365396722.db2.gz MNVBHVWFFZDHEP-CQSZACIVSA-N 1 3 257.341 0.535 10 0 CCAEHO C[C@]1(C(=O)N[C@H]2CNCCC2(F)F)CCCC[NH2+]1 ZINC000334655720 291370430 /nfs/dbraw/zinc/37/04/30/291370430.db2.gz SVVZOEDKLBLPLW-GXSJLCMTSA-N 1 3 261.316 0.632 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000638072112 374624180 /nfs/dbraw/zinc/62/41/80/374624180.db2.gz QFQXCFRQBDNKMP-VNHYZAJKSA-N 1 3 285.432 0.846 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000335284715 208103019 /nfs/dbraw/zinc/10/30/19/208103019.db2.gz AMJRTUMVCVDPFW-VXGBXAGGSA-N 1 3 254.378 0.603 10 0 CCAEHO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CN2CCC1CC2 ZINC000311081551 389101986 /nfs/dbraw/zinc/10/19/86/389101986.db2.gz NTNGVMMLMPIFMU-STQMWFEESA-N 1 3 251.374 0.539 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@H]1CCCN1C ZINC000333897365 389448689 /nfs/dbraw/zinc/44/86/89/389448689.db2.gz AZSFOBNXGIVBMB-TUAOUCFPSA-N 1 3 254.378 0.520 10 0 CCAEHO C[C@H]([NH2+]CCCN1CCOCC1)[C@@H]1CCCNC1 ZINC000643454251 390448388 /nfs/dbraw/zinc/44/83/88/390448388.db2.gz QDCOOOJAOIMIPX-UONOGXRCSA-N 1 3 255.406 0.686 10 0 CCAEHO COC[C@]1(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CCC[NH2+]1 ZINC000649333336 390588378 /nfs/dbraw/zinc/58/83/78/390588378.db2.gz NCXDJFBZWUAYCB-DYEKYZERSA-N 1 3 269.389 0.354 10 0 CCAEHO COC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCC[NH2+]1 ZINC000643781222 390546901 /nfs/dbraw/zinc/54/69/01/390546901.db2.gz MZPBXFIXMXTLRF-IPYPFGDCSA-N 1 3 281.400 0.450 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649305920 390564973 /nfs/dbraw/zinc/56/49/73/390564973.db2.gz LYAVWGXBSATFCT-WDEREUQCSA-N 1 3 275.343 0.832 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CNCCC1(F)F ZINC000649335095 390591630 /nfs/dbraw/zinc/59/16/30/390591630.db2.gz FCAOBZMWKXURKY-IJLUTSLNSA-N 1 3 287.354 0.926 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CNCCC1(F)F ZINC000649335095 390591631 /nfs/dbraw/zinc/59/16/31/390591631.db2.gz FCAOBZMWKXURKY-IJLUTSLNSA-N 1 3 287.354 0.926 10 0 CCAEHO CN1C[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000657695935 413049224 /nfs/dbraw/zinc/04/92/24/413049224.db2.gz QKAVVIUAXIDRMD-YNEHKIRRSA-N 1 3 251.374 0.681 10 0 CCAEHO CN1C[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000657695935 413049229 /nfs/dbraw/zinc/04/92/29/413049229.db2.gz QKAVVIUAXIDRMD-YNEHKIRRSA-N 1 3 251.374 0.681 10 0 CCAEHO CN1C[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1=O ZINC000657695935 413049234 /nfs/dbraw/zinc/04/92/34/413049234.db2.gz QKAVVIUAXIDRMD-YNEHKIRRSA-N 1 3 251.374 0.681 10 0 CCAEHO [NH3+]Cc1ccc(NC(=O)CCN2CCC(O)CC2)cc1 ZINC000022213883 171375167 /nfs/dbraw/zinc/37/51/67/171375167.db2.gz LBJYSUALFUXIDG-UHFFFAOYSA-N 1 3 277.368 0.931 10 0 CCAEHO CN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653112456 412224430 /nfs/dbraw/zinc/22/44/30/412224430.db2.gz ZEKFNUYPTVITPG-IVZWLZJFSA-N 1 3 279.306 0.595 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCC2(CNC2)O1 ZINC000662264531 414702396 /nfs/dbraw/zinc/70/23/96/414702396.db2.gz SGJRNJPMOYHUGF-RDBSUJKOSA-N 1 3 265.401 0.676 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CCC2(CNC2)O1 ZINC000662264531 414702397 /nfs/dbraw/zinc/70/23/97/414702397.db2.gz SGJRNJPMOYHUGF-RDBSUJKOSA-N 1 3 265.401 0.676 10 0 CCAEHO C([C@@H]1CCC2(CNC2)O1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000662263227 414702816 /nfs/dbraw/zinc/70/28/16/414702816.db2.gz LKLHROWSWRSJIZ-STQMWFEESA-N 1 3 251.374 0.287 10 0 CCAEHO C([C@@H]1CCC2(CNC2)O1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000662263227 414702817 /nfs/dbraw/zinc/70/28/17/414702817.db2.gz LKLHROWSWRSJIZ-STQMWFEESA-N 1 3 251.374 0.287 10 0 CCAEHO CC(C)[C@H]([NH3+])CC(=O)Nc1ccnn1C1CNC1 ZINC000725257941 545880120 /nfs/dbraw/zinc/88/01/20/545880120.db2.gz AGGFVSSQNWAVIR-SNVBAGLBSA-N 1 3 251.334 0.339 10 0 CCAEHO CC(C)[NH2+]CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258675 545881469 /nfs/dbraw/zinc/88/14/69/545881469.db2.gz WZEKNSMBGSUCSX-UHFFFAOYSA-N 1 3 251.334 0.354 10 0 CCAEHO CC(C)C[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258650 545881623 /nfs/dbraw/zinc/88/16/23/545881623.db2.gz VXXIRCSMSBWVIQ-SNVBAGLBSA-N 1 3 251.334 0.339 10 0 CCAEHO C[N@H+](CCO)C1CCC(C)(N2CCOCC2)CC1 ZINC000725262587 545882184 /nfs/dbraw/zinc/88/21/84/545882184.db2.gz IBSMIEPQDOWNBL-UHFFFAOYSA-N 1 3 256.390 0.944 10 0 CCAEHO C[N@@H+](CCO)C1CCC(C)(N2CCOCC2)CC1 ZINC000725262587 545882188 /nfs/dbraw/zinc/88/21/88/545882188.db2.gz IBSMIEPQDOWNBL-UHFFFAOYSA-N 1 3 256.390 0.944 10 0 CCAEHO CN1CCC([N@H+](C)[C@H]2C[C@H](N)C23CCOCC3)CC1 ZINC000725264489 545884800 /nfs/dbraw/zinc/88/48/00/545884800.db2.gz QRHUIFRFNNWCOC-KBPBESRZSA-N 1 3 267.417 0.909 10 0 CCAEHO CN1CCC([N@@H+](C)[C@H]2C[C@H](N)C23CCOCC3)CC1 ZINC000725264489 545884805 /nfs/dbraw/zinc/88/48/05/545884805.db2.gz QRHUIFRFNNWCOC-KBPBESRZSA-N 1 3 267.417 0.909 10 0 CCAEHO CC(C)(N)c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271860 545887610 /nfs/dbraw/zinc/88/76/10/545887610.db2.gz DMDXIOCREPUBQT-NSHDSACASA-N 1 3 279.388 0.946 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000089460975 544514851 /nfs/dbraw/zinc/51/48/51/544514851.db2.gz ZVTFSISSSKIHTN-DMDPSCGWSA-N 1 3 251.374 0.714 10 0 CCAEHO CCN1CCO[C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000157584918 544684873 /nfs/dbraw/zinc/68/48/73/544684873.db2.gz DIAPHCQUUXCYNE-MGPQQGTHSA-N 1 3 255.406 0.779 10 0 CCAEHO CCN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000157584918 544684879 /nfs/dbraw/zinc/68/48/79/544684879.db2.gz DIAPHCQUUXCYNE-MGPQQGTHSA-N 1 3 255.406 0.779 10 0 CCAEHO CC[NH+](CC)[C@@H](C)CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188854874 279144980 /nfs/dbraw/zinc/14/49/80/279144980.db2.gz UDSOZQQFXQIOTR-JTQLQIEISA-N 1 3 279.388 0.516 10 0 CCAEHO CC1(C)CN(C(=O)C(N)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000335673875 281206908 /nfs/dbraw/zinc/20/69/08/281206908.db2.gz NOOSDWAQPLIEKZ-BQBZGAKWSA-N 1 3 253.268 0.462 10 0 CCAEHO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557583 523356330 /nfs/dbraw/zinc/35/63/30/523356330.db2.gz PWDADPWBYLWGHM-RYUDHWBXSA-N 1 3 259.394 0.457 10 0 CCAEHO C[C@H](CN1CCN(CC[NH+](C)C)CC1)C(N)=S ZINC000061644359 524346387 /nfs/dbraw/zinc/34/63/87/524346387.db2.gz UUPSFPPRZHJPFG-LLVKDONJSA-N 1 3 258.435 0.088 10 0 CCAEHO C[C@@H]1CC[C@@H](C(=O)NCCN2CCCCC2)C[NH2+]1 ZINC000049575585 524559246 /nfs/dbraw/zinc/55/92/46/524559246.db2.gz IDQRSVXVTXMCPL-CHWSQXEVSA-N 1 3 253.390 0.977 10 0 CCAEHO [NH3+]C1CCC(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000091667908 649709102 /nfs/dbraw/zinc/70/91/02/649709102.db2.gz PYLYXKNEUBUWOD-NWINJMCUSA-N 1 3 281.400 0.483 10 0 CCAEHO CN(CC1CCN(C)CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091542575 349466727 /nfs/dbraw/zinc/46/67/27/349466727.db2.gz VYZWPMVRMZCCOW-QWHCGFSZSA-N 1 3 253.390 0.914 10 0 CCAEHO CN(C)C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1 ZINC000194650702 282136416 /nfs/dbraw/zinc/13/64/16/282136416.db2.gz NQDHLECENBVPMR-HNNXBMFYSA-N 1 3 295.427 0.650 10 0 CCAEHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116796766 349873213 /nfs/dbraw/zinc/87/32/13/349873213.db2.gz BCAUECRCKDPJNU-LBPRGKRZSA-N 1 3 257.378 0.116 10 0 CCAEHO C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCN1 ZINC000180895943 136891634 /nfs/dbraw/zinc/89/16/34/136891634.db2.gz GDRRYGRBCRVXQC-IIKSMHAQSA-N 1 3 251.374 0.918 10 0 CCAEHO O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC000054309014 348549520 /nfs/dbraw/zinc/54/95/20/348549520.db2.gz HFTSXYXDUAXLAB-NEPJUHHUSA-N 1 3 251.374 0.729 10 0 CCAEHO O=C(NC1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000090035463 349423492 /nfs/dbraw/zinc/42/34/92/349423492.db2.gz GOWHRFITKQYCJP-UHFFFAOYSA-N 1 3 273.380 0.987 10 0 CCAEHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000091409022 180148084 /nfs/dbraw/zinc/14/80/84/180148084.db2.gz CIAQCEREVIXFRC-OAHLLOKOSA-N 1 3 273.380 0.987 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@H]3CSCCN3)C[C@@H]12 ZINC000248638991 352449900 /nfs/dbraw/zinc/44/99/00/352449900.db2.gz QXDLYECIZLSDCA-WRWGMCAJSA-N 1 3 269.414 0.277 10 0 CCAEHO CCN1CCC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000335284714 285265766 /nfs/dbraw/zinc/26/57/66/285265766.db2.gz AMJRTUMVCVDPFW-RYUDHWBXSA-N 1 3 254.378 0.603 10 0 CCAEHO CC1(C)OCC[C@@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000336903305 389029423 /nfs/dbraw/zinc/02/94/23/389029423.db2.gz VCXKUBDFCDSBKY-OLZOCXBDSA-N 1 3 256.390 0.990 10 0 CCAEHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000219944723 389138532 /nfs/dbraw/zinc/13/85/32/389138532.db2.gz OQGXWJATPHHLKJ-NEPJUHHUSA-N 1 3 253.390 0.975 10 0 CCAEHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1(C)C ZINC000249049493 389252108 /nfs/dbraw/zinc/25/21/08/389252108.db2.gz AOZDHBKINQGMOK-WKIHFJMMSA-N 1 3 295.427 0.715 10 0 CCAEHO C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](C)CN1 ZINC000333634231 389437802 /nfs/dbraw/zinc/43/78/02/389437802.db2.gz HCSHOQKCKSLDFU-WOPDTQHZSA-N 1 3 254.378 0.520 10 0 CCAEHO C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)C[C@@H]1[NH3+] ZINC000333687380 389440587 /nfs/dbraw/zinc/44/05/87/389440587.db2.gz CFEGHCSIPFKOPO-BNOWGMLFSA-N 1 3 280.416 0.992 10 0 CCAEHO Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)c2ccccc2n1 ZINC000420244509 389972212 /nfs/dbraw/zinc/97/22/12/389972212.db2.gz DMYYELXLBQZFJN-XHDPSFHLSA-N 1 3 257.337 0.957 10 0 CCAEHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643775491 390540943 /nfs/dbraw/zinc/54/09/43/390540943.db2.gz WSZKIMPAOAUMJI-CHWSQXEVSA-N 1 3 269.389 0.165 10 0 CCAEHO COC[C@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000649316914 390574971 /nfs/dbraw/zinc/57/49/71/390574971.db2.gz ZBOHWCBGVKIDRM-HIFRSBDPSA-N 1 3 281.400 0.452 10 0 CCAEHO O=C([C@@H]1CCC[NH2+]C1)N1CCCN(C2CC2)CC1 ZINC000178746944 304332352 /nfs/dbraw/zinc/33/23/52/304332352.db2.gz MSMMNVYPAGEAFL-GFCCVEGCSA-N 1 3 251.374 0.683 10 0 CCAEHO [NH3+]C1CCC(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000044726787 411633348 /nfs/dbraw/zinc/63/33/48/411633348.db2.gz INVJOBHFDCNAIJ-HTAVTVPLSA-N 1 3 251.374 0.857 10 0 CCAEHO CN(C)CCNC(=O)COc1ccccc1C[NH3+] ZINC000022223513 171379592 /nfs/dbraw/zinc/37/95/92/171379592.db2.gz IIKLDMSDSWIALZ-UHFFFAOYSA-N 1 3 251.330 0.202 10 0 CCAEHO CC(C)(C)N1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662854829 414845591 /nfs/dbraw/zinc/84/55/91/414845591.db2.gz VGFRELLWKLFPCH-GFCCVEGCSA-N 1 3 283.416 0.731 10 0 CCAEHO CC(C)c1nccn1CCCNC[C@@]1(O)CC[NH2+]C1 ZINC000072411617 176398839 /nfs/dbraw/zinc/39/88/39/176398839.db2.gz UJJTTZYEDLSZCP-AWEZNQCLSA-N 1 3 266.389 0.711 10 0 CCAEHO CC(C)(C)[C@@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258277 545881508 /nfs/dbraw/zinc/88/15/08/545881508.db2.gz MPXHRJJQWUMXNM-JTQLQIEISA-N 1 3 251.334 0.339 10 0 CCAEHO C[C@@H](C[NH3+])CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258588 545882225 /nfs/dbraw/zinc/88/22/25/545882225.db2.gz UHFLVOKUMAPZPS-SECBINFHSA-N 1 3 251.334 0.341 10 0 CCAEHO CC(C)C[NH2+]CC(=O)Nc1ccnn1C1CNC1 ZINC000725258686 545882472 /nfs/dbraw/zinc/88/24/72/545882472.db2.gz XGTWSYOWOODWDV-UHFFFAOYSA-N 1 3 251.334 0.212 10 0 CCAEHO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCN(C)CC1 ZINC000089449440 544513460 /nfs/dbraw/zinc/51/34/60/544513460.db2.gz AGXDUPRWTIDQDS-AAEUAGOBSA-N 1 3 253.390 0.914 10 0 CCAEHO COCCN(C)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000249978538 544921387 /nfs/dbraw/zinc/92/13/87/544921387.db2.gz KEULMXKAVVUUQI-NWDGAFQWSA-N 1 3 257.378 0.056 10 0 CCAEHO CC1CCN(CCNC(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000333938510 545044481 /nfs/dbraw/zinc/04/44/81/545044481.db2.gz MMQHSCAGMNVVFE-ZDUSSCGKSA-N 1 3 268.405 0.627 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247239254 279332611 /nfs/dbraw/zinc/33/26/11/279332611.db2.gz XSCFMUJHPVSMIJ-KBPBESRZSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247239254 279332613 /nfs/dbraw/zinc/33/26/13/279332613.db2.gz XSCFMUJHPVSMIJ-KBPBESRZSA-N 1 3 280.416 0.960 10 0 CCAEHO NC1(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000361726992 295201075 /nfs/dbraw/zinc/20/10/75/295201075.db2.gz JSWLTEPKJYUUAR-GFCCVEGCSA-N 1 3 251.374 0.955 10 0 CCAEHO CCC[NH2+][C@@H](CN1CCN([C@H](C)CC)CC1)C(N)=O ZINC000055070542 520009326 /nfs/dbraw/zinc/00/93/26/520009326.db2.gz CPXZPZUFZJFRBR-OLZOCXBDSA-N 1 3 270.421 0.256 10 0 CCAEHO CN(C)C[C@H]1CCC[N@@H+]1CC[C@H](NC1CC1)C(N)=O ZINC000062532580 521868366 /nfs/dbraw/zinc/86/83/66/521868366.db2.gz BCNSYCUYZKPVQM-OLZOCXBDSA-N 1 3 268.405 0.008 10 0 CCAEHO CN(C)C[C@H]1CCC[N@H+]1CC[C@H](NC1CC1)C(N)=O ZINC000062532580 521868377 /nfs/dbraw/zinc/86/83/77/521868377.db2.gz BCNSYCUYZKPVQM-OLZOCXBDSA-N 1 3 268.405 0.008 10 0 CCAEHO C[C@H](CN1CCCC1)NS(=O)(=O)CCCC[NH3+] ZINC000049181482 524316736 /nfs/dbraw/zinc/31/67/36/524316736.db2.gz LIPHAVUQCBKXNC-LLVKDONJSA-N 1 3 263.407 0.129 10 0 CCAEHO C[C@@H]1C[C@@H](C(=O)NC2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000055126699 525186121 /nfs/dbraw/zinc/18/61/21/525186121.db2.gz MVOGNSCHTNOFNL-MDZLAQPJSA-N 1 3 253.390 0.960 10 0 CCAEHO CCN1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261767502 535701674 /nfs/dbraw/zinc/70/16/74/535701674.db2.gz KEGPGDFJCDFXCQ-ZIAGYGMSSA-N 1 3 282.432 0.115 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000334926539 282197585 /nfs/dbraw/zinc/19/75/85/282197585.db2.gz DGYQOUFWFAOROO-VXGBXAGGSA-N 1 3 254.378 0.474 10 0 CCAEHO C[C@@H](Cc1nc([C@H]2CNCCN2C)no1)C1CC[NH2+]CC1 ZINC000263312600 137063796 /nfs/dbraw/zinc/06/37/96/137063796.db2.gz YZHNUPAWHRYPIQ-WCQYABFASA-N 1 3 293.415 0.824 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CN1C1CC1 ZINC000130298300 350234414 /nfs/dbraw/zinc/23/44/14/350234414.db2.gz UBQKFNTYNHJVAD-BZPMIXESSA-N 1 3 280.416 0.957 10 0 CCAEHO NCCC[NH2+]CCCC[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC000144051716 350461620 /nfs/dbraw/zinc/46/16/20/350461620.db2.gz LQBYSJFBWUOZIS-UHFFFAOYSA-N 1 3 298.353 0.363 10 0 CCAEHO CCC[C@@H](C(=O)NCC[N@H+](C)CCOC)N(C)C ZINC000161958855 350732168 /nfs/dbraw/zinc/73/21/68/350732168.db2.gz WIDORXOHLZMGSK-LBPRGKRZSA-N 1 3 259.394 0.411 10 0 CCAEHO CCC[C@@H](C(=O)NCC[N@@H+](C)CCOC)N(C)C ZINC000161958855 350732173 /nfs/dbraw/zinc/73/21/73/350732173.db2.gz WIDORXOHLZMGSK-LBPRGKRZSA-N 1 3 259.394 0.411 10 0 CCAEHO COCC1(C(=O)N2CC[C@H](N(C)C)C2)CC[NH2+]CC1 ZINC000234645701 352164662 /nfs/dbraw/zinc/16/46/62/352164662.db2.gz OBKSQMDLIAHHES-LBPRGKRZSA-N 1 3 269.389 0.165 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@H]1CN(C)C ZINC000404883011 357822255 /nfs/dbraw/zinc/82/22/55/357822255.db2.gz KLHZHWDTNOVHQG-FRRDWIJNSA-N 1 3 253.390 0.785 10 0 CCAEHO [NH3+]CCN1CCN[C@@H](c2cnnc3ccccc32)C1 ZINC000616601738 365380901 /nfs/dbraw/zinc/38/09/01/365380901.db2.gz IROLPAZMEOFBKM-CQSZACIVSA-N 1 3 257.341 0.535 10 0 CCAEHO C[C@@H]1C[C@@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)[C@@H](C)O1 ZINC000333462674 205341036 /nfs/dbraw/zinc/34/10/36/205341036.db2.gz GUURNUMZVMKQMA-CKYFFXLPSA-N 1 3 279.388 0.927 10 0 CCAEHO C[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[n-]2)[C@@H](C)O1 ZINC000333462674 205341039 /nfs/dbraw/zinc/34/10/39/205341039.db2.gz GUURNUMZVMKQMA-CKYFFXLPSA-N 1 3 279.388 0.927 10 0 CCAEHO CC1(C)CN(C(=O)C[C@H]2CSCCN2)CC[C@@H]1[NH3+] ZINC000334262122 206273501 /nfs/dbraw/zinc/27/35/01/206273501.db2.gz YYSLPDUAHZIWCP-QWRGUYRKSA-N 1 3 271.430 0.667 10 0 CCAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCNC[C@H]2C)C1 ZINC000335285719 208104068 /nfs/dbraw/zinc/10/40/68/208104068.db2.gz RTXIUCTZSKTIBZ-VXGBXAGGSA-N 1 3 254.378 0.474 10 0 CCAEHO CC[N@H+]1CCC[C@@H](NC(=O)N2CCNC[C@H]2C)C1 ZINC000335285719 208104073 /nfs/dbraw/zinc/10/40/73/208104073.db2.gz RTXIUCTZSKTIBZ-VXGBXAGGSA-N 1 3 254.378 0.474 10 0 CCAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000251830114 285149942 /nfs/dbraw/zinc/14/99/42/285149942.db2.gz PLVDYYUQKUDLMA-VOAKCMCISA-N 1 3 251.374 0.680 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000262163365 285330765 /nfs/dbraw/zinc/33/07/65/285330765.db2.gz TVCLMTHHYBRRBI-JCIQBVFBSA-N 1 3 274.455 0.536 10 0 CCAEHO C[N@H+](C[C@@H](O)CN1CCC[C@@H]1CCCO)C1CC1 ZINC000310904655 389099891 /nfs/dbraw/zinc/09/98/91/389099891.db2.gz CWOWVMRDUZHDLM-ZIAGYGMSSA-N 1 3 256.390 0.678 10 0 CCAEHO C[N@@H+](C[C@@H](O)CN1CCC[C@@H]1CCCO)C1CC1 ZINC000310904655 389099894 /nfs/dbraw/zinc/09/98/94/389099894.db2.gz CWOWVMRDUZHDLM-ZIAGYGMSSA-N 1 3 256.390 0.678 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000252560720 389265435 /nfs/dbraw/zinc/26/54/35/389265435.db2.gz VVXYXFDLVXFOGA-DGAVXFQQSA-N 1 3 281.400 0.483 10 0 CCAEHO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCCN(C2CC2)CC1 ZINC000178747062 389619863 /nfs/dbraw/zinc/61/98/63/389619863.db2.gz ORNJNBGKNSDISV-STQMWFEESA-N 1 3 251.374 0.811 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649328383 390586552 /nfs/dbraw/zinc/58/65/52/390586552.db2.gz UYPIRBNIXNSZGH-DZGCQCFKSA-N 1 3 283.416 0.698 10 0 CCAEHO COC[C@]1(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CCC[NH2+]1 ZINC000649335217 390591664 /nfs/dbraw/zinc/59/16/64/390591664.db2.gz LYZFSLHVPYGLKJ-IPYPFGDCSA-N 1 3 281.400 0.450 10 0 CCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCN(C)C2=O)CC1 ZINC000116278158 287086611 /nfs/dbraw/zinc/08/66/11/287086611.db2.gz JDNHYBDYOJKKDM-TZMCWYRMSA-N 1 3 283.416 0.242 10 0 CCAEHO C[C@H](CN1CCCCC1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129614467 411719823 /nfs/dbraw/zinc/71/98/23/411719823.db2.gz NUXWIXKCLZWBGQ-CQSZACIVSA-N 1 3 296.459 0.661 10 0 CCAEHO C[C@@H](CCNC(=O)C(C)(C)N1CCNCC1)[NH+](C)C ZINC000662635551 414735722 /nfs/dbraw/zinc/73/57/22/414735722.db2.gz WPOCPLAQEWVHOZ-LBPRGKRZSA-N 1 3 270.421 0.127 10 0 CCAEHO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCN(C)CC1 ZINC000089449437 544512808 /nfs/dbraw/zinc/51/28/08/544512808.db2.gz AGXDUPRWTIDQDS-YPMHNXCESA-N 1 3 253.390 0.914 10 0 CCAEHO CC(C)[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N1CCN(C)CC1 ZINC000089746424 544516983 /nfs/dbraw/zinc/51/69/83/544516983.db2.gz ZNPCZPLHICWPJW-LSDHHAIUSA-N 1 3 296.459 0.374 10 0 CCAEHO CCN(CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000227432979 544834972 /nfs/dbraw/zinc/83/49/72/544834972.db2.gz ITDDRSFSWBKBLJ-YPMHNXCESA-N 1 3 253.390 0.962 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000250684260 544923994 /nfs/dbraw/zinc/92/39/94/544923994.db2.gz ZVTFSISSSKIHTN-GVXVVHGQSA-N 1 3 251.374 0.714 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000261712827 544936501 /nfs/dbraw/zinc/93/65/01/544936501.db2.gz JJXIRRLIHARYBN-RWMBFGLXSA-N 1 3 251.374 0.811 10 0 CCAEHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN1C)C1CC1 ZINC000102000348 279198958 /nfs/dbraw/zinc/19/89/58/279198958.db2.gz WAGFNYPPUXFZKD-ZDUSSCGKSA-N 1 3 268.405 0.864 10 0 CCAEHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN1C)C1CC1 ZINC000102000348 279198960 /nfs/dbraw/zinc/19/89/60/279198960.db2.gz WAGFNYPPUXFZKD-ZDUSSCGKSA-N 1 3 268.405 0.864 10 0 CCAEHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000389644758 545086652 /nfs/dbraw/zinc/08/66/52/545086652.db2.gz MDNFLYHRSNXGGB-FRRDWIJNSA-N 1 3 253.390 0.975 10 0 CCAEHO CC[N@H+](C)C[C@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000381166823 327134620 /nfs/dbraw/zinc/13/46/20/327134620.db2.gz URDKFGCSLDCMCK-KBPBESRZSA-N 1 3 255.406 0.469 10 0 CCAEHO CC[N@@H+](C)C[C@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000381166823 327134622 /nfs/dbraw/zinc/13/46/22/327134622.db2.gz URDKFGCSLDCMCK-KBPBESRZSA-N 1 3 255.406 0.469 10 0 CCAEHO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)CCNC ZINC000049629969 520630842 /nfs/dbraw/zinc/63/08/42/520630842.db2.gz ZXIDFZBTUPMLOK-GFCCVEGCSA-N 1 3 279.450 0.636 10 0 CCAEHO CC[C@@H](C)[NH2+]C[C@H](C)N1CCN(CCN(C)C)CC1 ZINC000061655322 522228440 /nfs/dbraw/zinc/22/84/40/522228440.db2.gz UXVWASHABJICBI-CABCVRRESA-N 1 3 270.465 0.942 10 0 CCAEHO [NH3+]C[C@@H]1CC[C@@H](CN2CCN(CC3CC3)CC2)O1 ZINC000052372476 527217490 /nfs/dbraw/zinc/21/74/90/527217490.db2.gz NMBDZUAFQQKADU-KBPBESRZSA-N 1 3 253.390 0.520 10 0 CCAEHO [NH3+]C1CCN(CCNc2ncnc3[nH]cnc32)CC1 ZINC000321144405 632781152 /nfs/dbraw/zinc/78/11/52/632781152.db2.gz FJCDXRMCJARUPL-UHFFFAOYSA-N 1 3 261.333 0.188 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000252562413 649828878 /nfs/dbraw/zinc/82/88/78/649828878.db2.gz WWHAVNLGGVGYLV-CRWXNKLISA-N 1 3 281.400 0.341 10 0 CCAEHO CN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000091394523 349461040 /nfs/dbraw/zinc/46/10/40/349461040.db2.gz XUOPEIFTIRXGNC-QWHCGFSZSA-N 1 3 253.390 0.929 10 0 CCAEHO CC[N@H+](CCNC(=O)N1CCO[C@@H](CN(C)C)C1)C1CC1 ZINC000117043136 349880623 /nfs/dbraw/zinc/88/06/23/349880623.db2.gz JGMDEGOKQUVVJC-AWEZNQCLSA-N 1 3 298.431 0.443 10 0 CCAEHO CC[N@@H+](CCNC(=O)N1CCO[C@@H](CN(C)C)C1)C1CC1 ZINC000117043136 349880627 /nfs/dbraw/zinc/88/06/27/349880627.db2.gz JGMDEGOKQUVVJC-AWEZNQCLSA-N 1 3 298.431 0.443 10 0 CCAEHO CCC[C@@H](C(=O)NC1CC[NH+](CCOC)CC1)N(C)C ZINC000161783640 290736853 /nfs/dbraw/zinc/73/68/53/290736853.db2.gz HBYJBTIPOQSBEN-AWEZNQCLSA-N 1 3 285.432 0.944 10 0 CCAEHO COCCNC(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000104444680 186004795 /nfs/dbraw/zinc/00/47/95/186004795.db2.gz HPSQWBFZXSJUJQ-QWRGUYRKSA-N 1 3 257.378 0.197 10 0 CCAEHO CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188843573 351633510 /nfs/dbraw/zinc/63/35/10/351633510.db2.gz UHVICOQMCLUCDT-CMPLNLGQSA-N 1 3 257.353 0.675 10 0 CCAEHO C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000123238397 187079535 /nfs/dbraw/zinc/07/95/35/187079535.db2.gz QPTKIVSPBWRTBA-MGPQQGTHSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000123238397 187079536 /nfs/dbraw/zinc/07/95/36/187079536.db2.gz QPTKIVSPBWRTBA-MGPQQGTHSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000377588117 291191925 /nfs/dbraw/zinc/19/19/25/291191925.db2.gz OCNAAEWJWOQQSN-ZIAGYGMSSA-N 1 3 282.432 0.128 10 0 CCAEHO CCN1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335593895 212305942 /nfs/dbraw/zinc/30/59/42/212305942.db2.gz OKMCTRVDBSRPLJ-WCQYABFASA-N 1 3 253.390 0.975 10 0 CCAEHO [NH3+][C@@H]1CC[C@H]2CN(CCOC3CCOCC3)C[C@@H]12 ZINC000629519759 369689277 /nfs/dbraw/zinc/68/92/77/369689277.db2.gz QXNMMACWLAJNHU-IACUBPJLSA-N 1 3 254.374 0.851 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOC3CCOCC3)C[C@H]12 ZINC000629519760 369689781 /nfs/dbraw/zinc/68/97/81/369689781.db2.gz QXNMMACWLAJNHU-KWCYVHTRSA-N 1 3 254.374 0.851 10 0 CCAEHO CO[C@H]1CN(C(=O)C2CCN(C)CC2)[C@](C)(C[NH3+])C1 ZINC000630369401 370070348 /nfs/dbraw/zinc/07/03/48/370070348.db2.gz AWFVTNLDTQCHOW-OCCSQVGLSA-N 1 3 269.389 0.293 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634765785 372212273 /nfs/dbraw/zinc/21/22/73/372212273.db2.gz DQXORCRQRDMPFA-GUTXKFCHSA-N 1 3 265.401 0.977 10 0 CCAEHO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CCN(C)CC1 ZINC000634770365 372220845 /nfs/dbraw/zinc/22/08/45/372220845.db2.gz JEOWVBVEGVFQAO-WFASDCNBSA-N 1 3 265.401 0.929 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638107777 374673972 /nfs/dbraw/zinc/67/39/72/374673972.db2.gz GPXBOXRFRSUAOK-UKRRQHHQSA-N 1 3 283.416 0.685 10 0 CCAEHO COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCCN1 ZINC000638109202 374676552 /nfs/dbraw/zinc/67/65/52/374676552.db2.gz SKSXZGRMBAYPSD-HIFRSBDPSA-N 1 3 281.400 0.452 10 0 CCAEHO COC[C@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCCN1 ZINC000638109202 374676561 /nfs/dbraw/zinc/67/65/61/374676561.db2.gz SKSXZGRMBAYPSD-HIFRSBDPSA-N 1 3 281.400 0.452 10 0 CCAEHO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CN2CCC1CC2 ZINC000311064684 389100790 /nfs/dbraw/zinc/10/07/90/389100790.db2.gz KQPVPGIIHLLBQA-FRRDWIJNSA-N 1 3 251.374 0.666 10 0 CCAEHO CCN(CCNC(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000219909802 389138737 /nfs/dbraw/zinc/13/87/37/389138737.db2.gz DCIAFDAXUYJOKM-LBPRGKRZSA-N 1 3 253.390 0.977 10 0 CCAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCN(C)C ZINC000133934299 389240750 /nfs/dbraw/zinc/24/07/50/389240750.db2.gz BUXDRLUHIKBOGW-CYBMUJFWSA-N 1 3 270.421 0.968 10 0 CCAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCN(C)C ZINC000133934299 389240753 /nfs/dbraw/zinc/24/07/53/389240753.db2.gz BUXDRLUHIKBOGW-CYBMUJFWSA-N 1 3 270.421 0.968 10 0 CCAEHO C[C@@]1(C(=O)N[C@H]2CNCCC2(F)F)CCCC[NH2+]1 ZINC000334655723 389500265 /nfs/dbraw/zinc/50/02/65/389500265.db2.gz SVVZOEDKLBLPLW-ONGXEEELSA-N 1 3 261.316 0.632 10 0 CCAEHO CN(CCc1ccccc1)C[C@@H]1OC[C@H]([NH3+])[C@H]1O ZINC000514287975 390466806 /nfs/dbraw/zinc/46/68/06/390466806.db2.gz CNCOSNYJXCHGAS-MELADBBJSA-N 1 3 250.342 0.248 10 0 biogenic,in-vitro CCAEHO COCCC1(C(=O)NCCN(C)C)CC[NH2+]CC1 ZINC000643770522 390539280 /nfs/dbraw/zinc/53/92/80/390539280.db2.gz JKGULQDCCZCGKB-UHFFFAOYSA-N 1 3 257.378 0.071 10 0 CCAEHO COCCC1(C(=O)N2CCCNCC2)CC[NH2+]CC1 ZINC000647615147 390851842 /nfs/dbraw/zinc/85/18/42/390851842.db2.gz LRPSWMOSMXIIHR-UHFFFAOYSA-N 1 3 269.389 0.215 10 0 CCAEHO CCN1CCO[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000311439599 411749741 /nfs/dbraw/zinc/74/97/41/411749741.db2.gz GBJHFJVEPXNGTJ-OAHLLOKOSA-N 1 3 267.417 0.924 10 0 CCAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N(C)C1CC1 ZINC000653116760 412228534 /nfs/dbraw/zinc/22/85/34/412228534.db2.gz RIEQROQSJNYCOX-JMJZKYOTSA-N 1 3 293.333 0.983 10 0 CCAEHO C([C@@H]1CCC2(CNC2)O1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000662263225 414702643 /nfs/dbraw/zinc/70/26/43/414702643.db2.gz LKLHROWSWRSJIZ-OLZOCXBDSA-N 1 3 251.374 0.287 10 0 CCAEHO C([C@@H]1CCC2(CNC2)O1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000662263225 414702644 /nfs/dbraw/zinc/70/26/44/414702644.db2.gz LKLHROWSWRSJIZ-OLZOCXBDSA-N 1 3 251.374 0.287 10 0 CCAEHO CSCC[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071189571 176065862 /nfs/dbraw/zinc/06/58/62/176065862.db2.gz GEDDFIIMIUYNJU-QWRGUYRKSA-N 1 3 259.419 0.477 10 0 CCAEHO CSCC[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189571 176065864 /nfs/dbraw/zinc/06/58/64/176065864.db2.gz GEDDFIIMIUYNJU-QWRGUYRKSA-N 1 3 259.419 0.477 10 0 CCAEHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250643843 544924038 /nfs/dbraw/zinc/92/40/38/544924038.db2.gz UOYRYBCWYNIUPI-UPJWGTAASA-N 1 3 253.390 0.819 10 0 CCAEHO CCN1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333923519 279261489 /nfs/dbraw/zinc/26/14/89/279261489.db2.gz SGJVTIREKSICMQ-ZDUSSCGKSA-N 1 3 268.405 0.912 10 0 CCAEHO [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1CNCCC1(F)F ZINC000335295251 295252567 /nfs/dbraw/zinc/25/25/67/295252567.db2.gz PYIZSEUOQQEQST-DTWKUNHWSA-N 1 3 262.304 0.116 10 0 CCAEHO CC(C)(C)OC(=O)[C@@H]1CNC[C@H](N2CC[NH2+]CC2)C1 ZINC000536961309 330384395 /nfs/dbraw/zinc/38/43/95/330384395.db2.gz YZIPTYWWQUNRHL-NWDGAFQWSA-N 1 3 269.389 0.211 10 0 CCAEHO CC[NH2+][C@@H](CCN1CCN([C@H](C)CC)CC1)C(N)=O ZINC000062531900 520089360 /nfs/dbraw/zinc/08/93/60/520089360.db2.gz KIRQATCLSJTQAF-OLZOCXBDSA-N 1 3 270.421 0.256 10 0 CCAEHO C[NH2+]C[C@@H]1CC[C@@H](CN(CCOC)CCOC)O1 ZINC000052571479 522059645 /nfs/dbraw/zinc/05/96/45/522059645.db2.gz YRRMOKPIYXTVQL-STQMWFEESA-N 1 3 260.378 0.348 10 0 CCAEHO COCCC[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055075995 523374483 /nfs/dbraw/zinc/37/44/83/523374483.db2.gz NXBRNOBHXORDHY-UHFFFAOYSA-N 1 3 257.422 0.886 10 0 CCAEHO CC[C@H](C)N1CCN([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055063661 523958034 /nfs/dbraw/zinc/95/80/34/523958034.db2.gz RTBZPJGLMSAFAS-JSGCOSHPSA-N 1 3 265.405 0.836 10 0 CCAEHO C[C@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H]1[NH3+] ZINC000055136307 524130003 /nfs/dbraw/zinc/13/00/03/524130003.db2.gz RIPAFWCVBDTQQN-UMSGYPCISA-N 1 3 253.390 0.960 10 0 CCAEHO COCCOC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226466992 636986188 /nfs/dbraw/zinc/98/61/88/636986188.db2.gz HMFALDAHPJPFSA-CHWSQXEVSA-N 1 3 260.378 0.084 10 0 CCAEHO CN(C)C[C@@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000132296313 282127675 /nfs/dbraw/zinc/12/76/75/282127675.db2.gz YKWFBYKPQFADHK-CQSZACIVSA-N 1 3 255.406 0.735 10 0 CCAEHO CN(C(=O)C1C[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261556745 137008073 /nfs/dbraw/zinc/00/80/73/137008073.db2.gz WGEVRLNYOJMUNN-HNNXBMFYSA-N 1 3 273.380 0.939 10 0 CCAEHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C1C[NH2+]C1 ZINC000263322205 137064284 /nfs/dbraw/zinc/06/42/84/137064284.db2.gz RRPJVCJKCSSCJW-UHFFFAOYSA-N 1 3 279.359 0.935 10 0 CCAEHO C[C@@H](CNC(=O)C(C)(C)N1CCNCC1)C[NH+]1CCCC1 ZINC000129737934 350221208 /nfs/dbraw/zinc/22/12/08/350221208.db2.gz HMOAKVOARMJWCU-AWEZNQCLSA-N 1 3 296.459 0.518 10 0 CCAEHO O=C(C[C@H]1CSCC[NH2+]1)N1CCCN(C2CC2)CC1 ZINC000178756338 351244454 /nfs/dbraw/zinc/24/44/54/351244454.db2.gz RGXXSIVNJZDJJV-LBPRGKRZSA-N 1 3 283.441 0.778 10 0 CCAEHO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188186672 351578772 /nfs/dbraw/zinc/57/87/72/351578772.db2.gz VSLPPLVDCDXRLP-NWDGAFQWSA-N 1 3 257.353 0.535 10 0 CCAEHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000193590701 351834445 /nfs/dbraw/zinc/83/44/45/351834445.db2.gz DDVKZPSSMGLDKO-RISCZKNCSA-N 1 3 273.380 0.739 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246272599 352358793 /nfs/dbraw/zinc/35/87/93/352358793.db2.gz LXGBKIYREUDZHF-DGCLKSJQSA-N 1 3 257.353 0.631 10 0 CCAEHO NC1(C(=O)N2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)Cc2ccccc2C1 ZINC000248629111 352449878 /nfs/dbraw/zinc/44/98/78/352449878.db2.gz ORSQHNGXCNEBJU-QLFBSQMISA-N 1 3 285.391 0.678 10 0 CCAEHO CC(C)N(C)CC(=O)N1CCO[C@H](C[N@H+](C)CC2CC2)C1 ZINC000328655575 354246547 /nfs/dbraw/zinc/24/65/47/354246547.db2.gz YMFURVJPPJDPBK-OAHLLOKOSA-N 1 3 297.443 0.896 10 0 CCAEHO CC(C)N(C)CC(=O)N1CCO[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000328655575 354246548 /nfs/dbraw/zinc/24/65/48/354246548.db2.gz YMFURVJPPJDPBK-OAHLLOKOSA-N 1 3 297.443 0.896 10 0 CCAEHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336391071 355114380 /nfs/dbraw/zinc/11/43/80/355114380.db2.gz RPDWCGNSYPKLPG-TZMCWYRMSA-N 1 3 278.400 0.713 10 0 CCAEHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336391071 355114382 /nfs/dbraw/zinc/11/43/82/355114382.db2.gz RPDWCGNSYPKLPG-TZMCWYRMSA-N 1 3 278.400 0.713 10 0 CCAEHO Cc1cc(NC(=O)CCN2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631840369 370706286 /nfs/dbraw/zinc/70/62/86/370706286.db2.gz SECWSCVGWCGPNI-ONGXEEELSA-N 1 3 266.345 0.260 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638116314 374682323 /nfs/dbraw/zinc/68/23/23/374682323.db2.gz MDJKMNMISNWLIS-VNHYZAJKSA-N 1 3 281.400 0.437 10 0 CCAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638116310 374683207 /nfs/dbraw/zinc/68/32/07/374683207.db2.gz MDJKMNMISNWLIS-NFAWXSAZSA-N 1 3 281.400 0.437 10 0 CCAEHO C[C@@H]1CN(C(=O)NC2C[NH2+]C2)CCN(C2CCC2)C1 ZINC000335395910 389553019 /nfs/dbraw/zinc/55/30/19/389553019.db2.gz NDFSMMGXSSBXLJ-NSHDSACASA-N 1 3 266.389 0.474 10 0 CCAEHO COC[C@]1(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CCC[NH2+]1 ZINC000649335216 390591653 /nfs/dbraw/zinc/59/16/53/390591653.db2.gz LYZFSLHVPYGLKJ-GUTXKFCHSA-N 1 3 281.400 0.450 10 0 CCAEHO CCN1CCO[C@@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000311439598 411749941 /nfs/dbraw/zinc/74/99/41/411749941.db2.gz GBJHFJVEPXNGTJ-HNNXBMFYSA-N 1 3 267.417 0.924 10 0 CCAEHO O=C(NCCN1CCCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105935 412220718 /nfs/dbraw/zinc/22/07/18/412220718.db2.gz NSVWLDRKTLOLID-NXEZZACHSA-N 1 3 279.306 0.596 10 0 CCAEHO C[C@H](NCCN1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210156 173031853 /nfs/dbraw/zinc/03/18/53/173031853.db2.gz GJJFPUJLVVWQEG-UONOGXRCSA-N 1 3 255.406 0.639 10 0 CCAEHO C[C@H](NCCN1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037210156 173031855 /nfs/dbraw/zinc/03/18/55/173031855.db2.gz GJJFPUJLVVWQEG-UONOGXRCSA-N 1 3 255.406 0.639 10 0 CCAEHO CCN(C)C(=O)CN1CCCN(CCCC[NH3+])CC1 ZINC000037223156 173043829 /nfs/dbraw/zinc/04/38/29/173043829.db2.gz CFYKEQYGGRLAJC-UHFFFAOYSA-N 1 3 270.421 0.211 10 0 CCAEHO COC[C@@H](O)CN(C)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042508139 174763139 /nfs/dbraw/zinc/76/31/39/174763139.db2.gz NIXJUTZMIYUUQN-LBPRGKRZSA-N 1 3 251.330 0.410 10 0 CCAEHO CCOC(=O)[C@@H](C)CN(C)CCN1CC[NH2+]CC1 ZINC000071150945 176045243 /nfs/dbraw/zinc/04/52/43/176045243.db2.gz DSNAHRWAILZZCC-LBPRGKRZSA-N 1 3 257.378 0.023 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1(C)CNC1 ZINC000098061770 544555864 /nfs/dbraw/zinc/55/58/64/544555864.db2.gz FKEYTZJJXPOGBN-VXGBXAGGSA-N 1 3 267.373 0.060 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COC1(C)CNC1 ZINC000098061770 544555868 /nfs/dbraw/zinc/55/58/68/544555868.db2.gz FKEYTZJJXPOGBN-VXGBXAGGSA-N 1 3 267.373 0.060 10 0 CCAEHO CC(C)[C@@H]([NH3+])CC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000136424647 544638755 /nfs/dbraw/zinc/63/87/55/544638755.db2.gz UCIHOSYFJCJKRI-LSDHHAIUSA-N 1 3 298.475 0.748 10 0 CCAEHO CCN1CCC[C@H]1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336826387 279327996 /nfs/dbraw/zinc/32/79/96/279327996.db2.gz NPIWHFHUGHFEQV-LSDHHAIUSA-N 1 3 285.432 0.096 10 0 CCAEHO CCN1CCC[C@H]1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000336826387 279327997 /nfs/dbraw/zinc/32/79/97/279327997.db2.gz NPIWHFHUGHFEQV-LSDHHAIUSA-N 1 3 285.432 0.096 10 0 CCAEHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399095968 545089165 /nfs/dbraw/zinc/08/91/65/545089165.db2.gz SNQGOLSZUZOMQU-AJNGGQMLSA-N 1 3 270.417 0.780 10 0 CCAEHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000399095968 545089166 /nfs/dbraw/zinc/08/91/66/545089166.db2.gz SNQGOLSZUZOMQU-AJNGGQMLSA-N 1 3 270.417 0.780 10 0 CCAEHO CCCN1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000389132469 545086366 /nfs/dbraw/zinc/08/63/66/545086366.db2.gz FKBJVLJKAMRXQB-LBPRGKRZSA-N 1 3 269.389 0.342 10 0 CCAEHO C[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCCN1 ZINC000334590175 297864088 /nfs/dbraw/zinc/86/40/88/297864088.db2.gz NCEDGBALGSKFPY-UONOGXRCSA-N 1 3 251.374 0.731 10 0 CCAEHO CCC[NH2+][C@@H](C)CN1CCN(CCN(C)C)CC1 ZINC000061644038 519986685 /nfs/dbraw/zinc/98/66/85/519986685.db2.gz PVNXRGNDWZVYPH-AWEZNQCLSA-N 1 3 256.438 0.554 10 0 CCAEHO CCO[C@H](C[NH3+])CCN1CCCN(C(C)=O)CC1 ZINC000062741164 520515903 /nfs/dbraw/zinc/51/59/03/520515903.db2.gz JRYLWRMIKGVDFB-ZDUSSCGKSA-N 1 3 257.378 0.295 10 0 CCAEHO CN(C)CCN1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000061653808 521764670 /nfs/dbraw/zinc/76/46/70/521764670.db2.gz ZXGRIUPEWJVBLH-GJZGRUSLSA-N 1 3 268.449 0.683 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000049225186 521647454 /nfs/dbraw/zinc/64/74/54/521647454.db2.gz CBXNPGAJTVFGPA-XQQFMLRXSA-N 1 3 253.390 0.975 10 0 CCAEHO CC[C@@H](C)[NH+]1CCN(CCn2cc(CN)nn2)CC1 ZINC000055074217 522122698 /nfs/dbraw/zinc/12/26/98/522122698.db2.gz YBMICIBQOVLXAH-GFCCVEGCSA-N 1 3 266.393 0.153 10 0 CCAEHO CC[C@@H](C)N1CCN(C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000055072052 522123394 /nfs/dbraw/zinc/12/33/94/522123394.db2.gz GJAQNJTUDJMEGY-KGLIPLIRSA-N 1 3 255.406 0.768 10 0 CCAEHO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]23)N1 ZINC000049570479 524348938 /nfs/dbraw/zinc/34/89/38/524348938.db2.gz CWPSCTOEQWPMMQ-FDYHWXHSSA-N 1 3 251.374 0.870 10 0 CCAEHO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]23)N1 ZINC000049570479 524348944 /nfs/dbraw/zinc/34/89/44/524348944.db2.gz CWPSCTOEQWPMMQ-FDYHWXHSSA-N 1 3 251.374 0.870 10 0 CCAEHO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCN3CCC[C@H]23)[NH2+]1 ZINC000049570479 524348950 /nfs/dbraw/zinc/34/89/50/524348950.db2.gz CWPSCTOEQWPMMQ-FDYHWXHSSA-N 1 3 251.374 0.870 10 0 CCAEHO C[C@H]([NH2+]CCN1CCN(CCN(C)C)CC1)C1CC1 ZINC000061655290 525351926 /nfs/dbraw/zinc/35/19/26/525351926.db2.gz RMMFJAWACUSFKS-AWEZNQCLSA-N 1 3 268.449 0.554 10 0 CCAEHO NNc1[nH+]cccc1CN1CCN(CC2CC2)CC1 ZINC000052722821 527288524 /nfs/dbraw/zinc/28/85/24/527288524.db2.gz UOTLZDKZGUFEIC-UHFFFAOYSA-N 1 3 261.373 0.895 10 0 CCAEHO OC[C@@H]1CCCN1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183322 527591256 /nfs/dbraw/zinc/59/12/56/527591256.db2.gz QWWLATVHEUHXEN-AWEZNQCLSA-N 1 3 268.401 0.992 10 0 CCAEHO OC[C@@H]1CCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052183322 527591261 /nfs/dbraw/zinc/59/12/61/527591261.db2.gz QWWLATVHEUHXEN-AWEZNQCLSA-N 1 3 268.401 0.992 10 0 CCAEHO OC[C@@H]1CCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052183322 527591264 /nfs/dbraw/zinc/59/12/64/527591264.db2.gz QWWLATVHEUHXEN-AWEZNQCLSA-N 1 3 268.401 0.992 10 0 CCAEHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C(F)(F)F ZINC000262049923 622635968 /nfs/dbraw/zinc/63/59/68/622635968.db2.gz ZOHXDDNWNSKXAB-ZRUFSTJUSA-N 1 3 282.306 0.656 10 0 CCAEHO O[C@@H](CN1CCN2CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000311254041 623683037 /nfs/dbraw/zinc/68/30/37/623683037.db2.gz QEEVCZXMWCGOST-LSDHHAIUSA-N 1 3 267.417 0.613 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](N2CCOCC2)C1 ZINC000111273616 633839043 /nfs/dbraw/zinc/83/90/43/633839043.db2.gz DWSTZBLZXXIPGV-RDBSUJKOSA-N 1 3 253.390 0.248 10 0 CCAEHO CCN1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116790703 349873072 /nfs/dbraw/zinc/87/30/72/349873072.db2.gz WLBONNFTKWHGRQ-KGLIPLIRSA-N 1 3 283.416 0.650 10 0 CCAEHO CSCC[C@H](N)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942795 348673566 /nfs/dbraw/zinc/67/35/66/348673566.db2.gz YWQWYCKIMZDQJS-RYUDHWBXSA-N 1 3 271.430 0.764 10 0 CCAEHO CSCC[C@H](N)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942795 348673569 /nfs/dbraw/zinc/67/35/69/348673569.db2.gz YWQWYCKIMZDQJS-RYUDHWBXSA-N 1 3 271.430 0.764 10 0 CCAEHO C[C@@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)N(C)C1CC1 ZINC000226399412 352026072 /nfs/dbraw/zinc/02/60/72/352026072.db2.gz MEODCTZJRHIRNJ-LBPRGKRZSA-N 1 3 282.432 0.269 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCNCC1 ZINC000226806791 352035045 /nfs/dbraw/zinc/03/50/45/352035045.db2.gz BXMNAERMSBBWFB-KBPBESRZSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCNCC1 ZINC000226806791 352035047 /nfs/dbraw/zinc/03/50/47/352035047.db2.gz BXMNAERMSBBWFB-KBPBESRZSA-N 1 3 294.443 0.413 10 0 CCAEHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN2CCC[C@H]2C1 ZINC000247372751 352410786 /nfs/dbraw/zinc/41/07/86/352410786.db2.gz FHDWJOWTKBNHJS-HIFRSBDPSA-N 1 3 292.427 0.960 10 0 CCAEHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN2CCC[C@H]2C1 ZINC000247372751 352410789 /nfs/dbraw/zinc/41/07/89/352410789.db2.gz FHDWJOWTKBNHJS-HIFRSBDPSA-N 1 3 292.427 0.960 10 0 CCAEHO O[C@@H](CN[C@@H]1CCCC[C@H]1O)C[NH+]1CCCCC1 ZINC000568257570 358657598 /nfs/dbraw/zinc/65/75/98/358657598.db2.gz QMWLBOVROLBENG-BFHYXJOUSA-N 1 3 256.390 0.726 10 0 CCAEHO C[C@@H]1CN(C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C[NH3+] ZINC000631840701 370706578 /nfs/dbraw/zinc/70/65/78/370706578.db2.gz UPODXOMZQFLQTO-UPJWGTAASA-N 1 3 289.445 0.185 10 0 CCAEHO [NH3+]CCN1CCNC[C@H]1c1cccc2ccnnc21 ZINC000616636654 365397850 /nfs/dbraw/zinc/39/78/50/365397850.db2.gz XQEUFSKMJDZIJA-ZDUSSCGKSA-N 1 3 257.341 0.535 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638109292 374675350 /nfs/dbraw/zinc/67/53/50/374675350.db2.gz TUDLYLFIIQNSTK-NFAWXSAZSA-N 1 3 283.416 0.696 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CCCCN1 ZINC000638276202 374879204 /nfs/dbraw/zinc/87/92/04/374879204.db2.gz RJYQGSVYNBJASP-TZMCWYRMSA-N 1 3 269.389 0.308 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310921474 389100168 /nfs/dbraw/zinc/10/01/68/389100168.db2.gz HGHJOEQFVPOEHD-RAIGVLPGSA-N 1 3 251.374 0.395 10 0 CCAEHO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CN2CCC1CC2 ZINC000311081550 389102143 /nfs/dbraw/zinc/10/21/43/389102143.db2.gz NTNGVMMLMPIFMU-QWHCGFSZSA-N 1 3 251.374 0.539 10 0 CCAEHO COC[C@@]1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000649299064 390558521 /nfs/dbraw/zinc/55/85/21/390558521.db2.gz WTVRGBVAFFVIJB-UKRRQHHQSA-N 1 3 283.416 0.555 10 0 CCAEHO COC[C@@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCC[NH2+]1 ZINC000649316915 390574981 /nfs/dbraw/zinc/57/49/81/390574981.db2.gz ZBOHWCBGVKIDRM-UKRRQHHQSA-N 1 3 281.400 0.452 10 0 CCAEHO COC[C@@]1(C(=O)N2CCC[C@@H](N(C)C)C2)CCC[NH2+]1 ZINC000649318379 390576130 /nfs/dbraw/zinc/57/61/30/390576130.db2.gz CRDATDGRWYHBMQ-TZMCWYRMSA-N 1 3 269.389 0.308 10 0 CCAEHO C([C@H]1CCC2(CNC2)O1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000662263224 414702558 /nfs/dbraw/zinc/70/25/58/414702558.db2.gz LKLHROWSWRSJIZ-CHWSQXEVSA-N 1 3 251.374 0.287 10 0 CCAEHO C([C@H]1CCC2(CNC2)O1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000662263224 414702559 /nfs/dbraw/zinc/70/25/59/414702559.db2.gz LKLHROWSWRSJIZ-CHWSQXEVSA-N 1 3 251.374 0.287 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COC1(C)CNC1 ZINC000098061760 544556088 /nfs/dbraw/zinc/55/60/88/544556088.db2.gz CWZFKDSDZSZHOC-LBPRGKRZSA-N 1 3 269.389 0.308 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)COC1(C)CNC1 ZINC000098061760 544556092 /nfs/dbraw/zinc/55/60/92/544556092.db2.gz CWZFKDSDZSZHOC-LBPRGKRZSA-N 1 3 269.389 0.308 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1C ZINC000157873835 544685252 /nfs/dbraw/zinc/68/52/52/544685252.db2.gz GQJWKDCJRLGSNV-FDYHWXHSSA-N 1 3 253.390 0.960 10 0 CCAEHO CN(C)CCOCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000234229682 544867855 /nfs/dbraw/zinc/86/78/55/544867855.db2.gz DERGZIFLEURHJQ-RYUDHWBXSA-N 1 3 257.378 0.056 10 0 CCAEHO O=C(NC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCCN1C1CC1 ZINC000333729413 545042501 /nfs/dbraw/zinc/04/25/01/545042501.db2.gz HQDUGFIEVSWYJK-OCCSQVGLSA-N 1 3 280.416 0.912 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000262153454 275054667 /nfs/dbraw/zinc/05/46/67/275054667.db2.gz RMYZJYXNVYFMLJ-KWCYVHTRSA-N 1 3 266.772 0.977 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000262153455 275054712 /nfs/dbraw/zinc/05/47/12/275054712.db2.gz RMYZJYXNVYFMLJ-MRVWCRGKSA-N 1 3 266.772 0.977 10 0 CCAEHO CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333491972 289199481 /nfs/dbraw/zinc/19/94/81/289199481.db2.gz DKSQWODHHFHBBA-QWHCGFSZSA-N 1 3 284.404 0.101 10 0 CCAEHO CN(C)C[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000245704266 289217852 /nfs/dbraw/zinc/21/78/52/289217852.db2.gz YBXSXQNMWFETMC-KBPBESRZSA-N 1 3 255.406 0.733 10 0 CCAEHO CN(C)C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000245704266 289217856 /nfs/dbraw/zinc/21/78/56/289217856.db2.gz YBXSXQNMWFETMC-KBPBESRZSA-N 1 3 255.406 0.733 10 0 CCAEHO O[C@H]1CNC[C@@H]1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000335028458 304842413 /nfs/dbraw/zinc/84/24/13/304842413.db2.gz LCTWCHLCSIYPQN-QMSHFQNASA-N 1 3 250.386 0.981 10 0 CCAEHO CC(C)(C)N1CCN(C[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052571651 518711076 /nfs/dbraw/zinc/71/10/76/518711076.db2.gz CLBOVGJAZSRQGN-STQMWFEESA-N 1 3 255.406 0.909 10 0 CCAEHO CCOCC[NH2+]CCN1CCN(CC(C)C)CC1 ZINC000055076051 519966726 /nfs/dbraw/zinc/96/67/26/519966726.db2.gz ZIQKHMFEKJZPML-UHFFFAOYSA-N 1 3 257.422 0.886 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)CC[NH2+]C(C)C ZINC000049641499 520687481 /nfs/dbraw/zinc/68/74/81/520687481.db2.gz YSKQPCDYJPCRMQ-UHFFFAOYSA-N 1 3 265.423 0.246 10 0 CCAEHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)CC[C@@H]1[NH3+] ZINC000055136286 524769392 /nfs/dbraw/zinc/76/93/92/524769392.db2.gz WCENWYOSIQNWPH-RVMXOQNASA-N 1 3 253.390 0.960 10 0 CCAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C[C@H]1C ZINC000263302116 535563973 /nfs/dbraw/zinc/56/39/73/535563973.db2.gz XEIZPPAAVAZDNF-MBJXGIAVSA-N 1 3 284.400 0.524 10 0 CCAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C[C@H]1C ZINC000263302116 535563979 /nfs/dbraw/zinc/56/39/79/535563979.db2.gz XEIZPPAAVAZDNF-MBJXGIAVSA-N 1 3 284.400 0.524 10 0 CCAEHO CCN1CCN(CCC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000261906173 535678388 /nfs/dbraw/zinc/67/83/88/535678388.db2.gz WXKUCBNJOLLFFT-HUUCEWRRSA-N 1 3 296.459 0.600 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000091291288 282196863 /nfs/dbraw/zinc/19/68/63/282196863.db2.gz ZFHOAYCMLCDZNN-WDEREUQCSA-N 1 3 257.403 0.244 10 0 CCAEHO CN(CC1CCN(C)CC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000063123972 282393373 /nfs/dbraw/zinc/39/33/73/282393373.db2.gz XECWLJTWUMEQLX-ZDUSSCGKSA-N 1 3 253.390 0.786 10 0 CCAEHO C[C@@H](C(=O)NCCN1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000262433348 137043280 /nfs/dbraw/zinc/04/32/80/137043280.db2.gz UCDFRCWOICXEBG-NWDGAFQWSA-N 1 3 253.390 0.833 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCNCC1 ZINC000129626042 350218754 /nfs/dbraw/zinc/21/87/54/350218754.db2.gz BXMNAERMSBBWFB-UONOGXRCSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)(C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCNCC1 ZINC000129626042 350218755 /nfs/dbraw/zinc/21/87/55/350218755.db2.gz BXMNAERMSBBWFB-UONOGXRCSA-N 1 3 294.443 0.413 10 0 CCAEHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@H](F)CN1 ZINC000188981238 351644673 /nfs/dbraw/zinc/64/46/73/351644673.db2.gz BQECVBBUAPDTPJ-YNEHKIRRSA-N 1 3 287.379 0.040 10 0 CCAEHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1C[C@H](F)CN1 ZINC000188981238 351644676 /nfs/dbraw/zinc/64/46/76/351644676.db2.gz BQECVBBUAPDTPJ-YNEHKIRRSA-N 1 3 287.379 0.040 10 0 CCAEHO CC[NH+](CC)CCCNC(=O)c1[nH]nc2c1CNCC2 ZINC000188689015 351618850 /nfs/dbraw/zinc/61/88/50/351618850.db2.gz TZXAEUUYCNWABE-UHFFFAOYSA-N 1 3 279.388 0.517 10 0 CCAEHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1C[C@H](F)CN1 ZINC000188726026 351622693 /nfs/dbraw/zinc/62/26/93/351622693.db2.gz QMXXWCOGUJJPFO-WCQYABFASA-N 1 3 269.364 0.677 10 0 CCAEHO CC(C)[NH2+]CCN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000193462768 351828415 /nfs/dbraw/zinc/82/84/15/351828415.db2.gz NTFPSQSAPVVCMD-AWEZNQCLSA-N 1 3 282.432 0.223 10 0 CCAEHO C[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)N1CCC[C@H](C)C1 ZINC000333948735 354818886 /nfs/dbraw/zinc/81/88/86/354818886.db2.gz WPIQAUGDOSWJCW-CRWXNKLISA-N 1 3 298.431 0.081 10 0 CCAEHO CN1CCN([C@H]2CCC[C@@H]2N2CC[NH2+]CC2)CC1 ZINC000409438003 358112619 /nfs/dbraw/zinc/11/26/19/358112619.db2.gz BRBJHMCMJMZUBK-KBPBESRZSA-N 1 3 252.406 0.060 10 0 CCAEHO C[C@H](NCC(C)(C)N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000400349056 299277189 /nfs/dbraw/zinc/27/71/89/299277189.db2.gz JCXIQFZPCLIUAV-STQMWFEESA-N 1 3 255.406 0.685 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)CCC1C[NH2+]C1 ZINC000638109004 374676249 /nfs/dbraw/zinc/67/62/49/374676249.db2.gz QOLCUAPGOCNDLR-CYBMUJFWSA-N 1 3 253.390 0.929 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638109291 374676523 /nfs/dbraw/zinc/67/65/23/374676523.db2.gz TUDLYLFIIQNSTK-IPYPFGDCSA-N 1 3 283.416 0.696 10 0 CCAEHO CCCNC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862406 389088904 /nfs/dbraw/zinc/08/89/04/389088904.db2.gz AOCFWYLDKQYKIZ-ZIAGYGMSSA-N 1 3 299.459 0.926 10 0 CCAEHO CC[C@@H](C(N)=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862770 389088976 /nfs/dbraw/zinc/08/89/76/389088976.db2.gz XBHBYXXOADRXCI-YPMHNXCESA-N 1 3 271.405 0.275 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000170830569 389464817 /nfs/dbraw/zinc/46/48/17/389464817.db2.gz LZGKUHRZGXBAFF-OCCSQVGLSA-N 1 3 280.416 0.816 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000170830569 389464821 /nfs/dbraw/zinc/46/48/21/389464821.db2.gz LZGKUHRZGXBAFF-OCCSQVGLSA-N 1 3 280.416 0.816 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000334345768 389468413 /nfs/dbraw/zinc/46/84/13/389468413.db2.gz VGXYKYMETCCARR-STQMWFEESA-N 1 3 266.389 0.570 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000334345768 389468415 /nfs/dbraw/zinc/46/84/15/389468415.db2.gz VGXYKYMETCCARR-STQMWFEESA-N 1 3 266.389 0.570 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000648152396 390314482 /nfs/dbraw/zinc/31/44/82/390314482.db2.gz YEVRUOPADLHZLM-NXEZZACHSA-N 1 3 261.316 0.394 10 0 CCAEHO NCC1(C(=O)N=c2ccn([C@@H]3CC[NH2+]C3)[nH]2)CCCC1 ZINC000547691801 390390658 /nfs/dbraw/zinc/39/06/58/390390658.db2.gz ZNEAEBQRYDYZEX-LLVKDONJSA-N 1 3 277.372 0.297 10 0 CCAEHO COC[C@]1(C(=O)N2CCC[C@@H](N(C)C)C2)CCC[NH2+]1 ZINC000649318378 390575524 /nfs/dbraw/zinc/57/55/24/390575524.db2.gz CRDATDGRWYHBMQ-OCCSQVGLSA-N 1 3 269.389 0.308 10 0 CCAEHO Cc1ccc(CN)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000020189384 171055289 /nfs/dbraw/zinc/05/52/89/171055289.db2.gz ALJGQELXDMKZJL-UHFFFAOYSA-N 1 3 285.413 0.684 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105222 412219944 /nfs/dbraw/zinc/21/99/44/412219944.db2.gz LNNNYDXEVPNSLU-GMTAPVOTSA-N 1 3 293.333 0.985 10 0 CCAEHO CCN[C@](C)(CC[N@H+](C)C[C@@H]1CCN(C)C1)C(N)=O ZINC000071191025 176068296 /nfs/dbraw/zinc/06/82/96/176068296.db2.gz KXWWIVYHAQOSHQ-TZMCWYRMSA-N 1 3 270.421 0.114 10 0 CCAEHO CCN[C@](C)(CC[N@@H+](C)C[C@@H]1CCN(C)C1)C(N)=O ZINC000071191025 176068297 /nfs/dbraw/zinc/06/82/97/176068297.db2.gz KXWWIVYHAQOSHQ-TZMCWYRMSA-N 1 3 270.421 0.114 10 0 CCAEHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COC1(C)CNC1 ZINC000252920171 544931272 /nfs/dbraw/zinc/93/12/72/544931272.db2.gz FKEYTZJJXPOGBN-RYUDHWBXSA-N 1 3 267.373 0.060 10 0 CCAEHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COC1(C)CNC1 ZINC000252920171 544931275 /nfs/dbraw/zinc/93/12/75/544931275.db2.gz FKEYTZJJXPOGBN-RYUDHWBXSA-N 1 3 267.373 0.060 10 0 CCAEHO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049557586 523345090 /nfs/dbraw/zinc/34/50/90/523345090.db2.gz PWDADPWBYLWGHM-VXGBXAGGSA-N 1 3 259.394 0.457 10 0 CCAEHO C[C@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@@H]1[NH3+] ZINC000335378733 300120022 /nfs/dbraw/zinc/12/00/22/300120022.db2.gz HAPBOACQPHVNCL-GWCFXTLKSA-N 1 3 251.374 0.666 10 0 CCAEHO CC[N@H+](C)C[C@@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000381166831 327134674 /nfs/dbraw/zinc/13/46/74/327134674.db2.gz URDKFGCSLDCMCK-ZIAGYGMSSA-N 1 3 255.406 0.469 10 0 CCAEHO CC[N@@H+](C)C[C@@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000381166831 327134676 /nfs/dbraw/zinc/13/46/76/327134676.db2.gz URDKFGCSLDCMCK-ZIAGYGMSSA-N 1 3 255.406 0.469 10 0 CCAEHO CCCN1CCN(C[C@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052422007 519858534 /nfs/dbraw/zinc/85/85/34/519858534.db2.gz RBQLVLNPMOHUEG-ZIAGYGMSSA-N 1 3 255.406 0.781 10 0 CCAEHO COC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151350323 522355638 /nfs/dbraw/zinc/35/56/38/522355638.db2.gz HFTHFAARUYHEQW-ZIAGYGMSSA-N 1 3 256.390 0.848 10 0 CCAEHO CCC[NH2+]C[C@@H](O)CN1CCN(CC(C)C)CC1 ZINC000055078614 519921992 /nfs/dbraw/zinc/92/19/92/519921992.db2.gz AIGCJFFPBWUWIC-CQSZACIVSA-N 1 3 257.422 0.621 10 0 CCAEHO CCC[C@](C)([NH3+])CN1CCN(CCN(C)C)CC1 ZINC000061652510 521278469 /nfs/dbraw/zinc/27/84/69/521278469.db2.gz NLIKGNGAYSWRKC-AWEZNQCLSA-N 1 3 256.438 0.683 10 0 CCAEHO C[C@@H](CC[NH+](C)C)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000049631554 524477142 /nfs/dbraw/zinc/47/71/42/524477142.db2.gz UEVTVUUEKRNSQH-NWDGAFQWSA-N 1 3 277.434 0.388 10 0 CCAEHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCN1C ZINC000157848008 524799743 /nfs/dbraw/zinc/79/97/43/524799743.db2.gz UIYFQJSWQRUVJT-YFKTTZPYSA-N 1 3 255.362 0.092 10 0 CCAEHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCO)CC2)CCN1C ZINC000398959565 581206509 /nfs/dbraw/zinc/20/65/09/581206509.db2.gz LJIPIARBAGSTOE-TZMCWYRMSA-N 1 3 255.406 0.515 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](N)CC1CC1 ZINC000310667884 623438296 /nfs/dbraw/zinc/43/82/96/623438296.db2.gz FKHQXKICPSQGEP-KGYLQXTDSA-N 1 3 251.374 0.809 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](N)CC1CC1 ZINC000310667884 623438301 /nfs/dbraw/zinc/43/83/01/623438301.db2.gz FKHQXKICPSQGEP-KGYLQXTDSA-N 1 3 251.374 0.809 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CCOC ZINC000092629886 649725690 /nfs/dbraw/zinc/72/56/90/649725690.db2.gz IJUBGNROTYQVFB-NWDGAFQWSA-N 1 3 257.378 0.293 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](N)CCOC ZINC000092629886 649725691 /nfs/dbraw/zinc/72/56/91/649725691.db2.gz IJUBGNROTYQVFB-NWDGAFQWSA-N 1 3 257.378 0.293 10 0 CCAEHO C[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)[N@H+](C)C1CC1 ZINC000105269530 349721961 /nfs/dbraw/zinc/72/19/61/349721961.db2.gz NJAMLIJDTHDSAZ-DGCLKSJQSA-N 1 3 268.405 0.815 10 0 CCAEHO C[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)[N@@H+](C)C1CC1 ZINC000105269530 349721964 /nfs/dbraw/zinc/72/19/64/349721964.db2.gz NJAMLIJDTHDSAZ-DGCLKSJQSA-N 1 3 268.405 0.815 10 0 CCAEHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037019537 348180306 /nfs/dbraw/zinc/18/03/06/348180306.db2.gz IACRMPDZKPFPMJ-OLZOCXBDSA-N 1 3 263.341 0.410 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290347 348548121 /nfs/dbraw/zinc/54/81/21/348548121.db2.gz VGLGBLYDXFNCBR-STQMWFEESA-N 1 3 253.390 0.977 10 0 CCAEHO CCN1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308321 348549774 /nfs/dbraw/zinc/54/97/74/348549774.db2.gz WYVOBHKHAYOADC-GFCCVEGCSA-N 1 3 253.390 0.977 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000168420912 350825620 /nfs/dbraw/zinc/82/56/20/350825620.db2.gz LXGBKIYREUDZHF-AAEUAGOBSA-N 1 3 257.353 0.631 10 0 CCAEHO CN(C)C[C@@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000179245038 351261998 /nfs/dbraw/zinc/26/19/98/351261998.db2.gz CJTHQIDKKATABM-CQSZACIVSA-N 1 3 255.406 0.735 10 0 CCAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnc[nH]2)CC1 ZINC000179516393 351269611 /nfs/dbraw/zinc/26/96/11/351269611.db2.gz WNZWIPOUYQPVAA-LBPRGKRZSA-N 1 3 266.389 0.934 10 0 CCAEHO NCC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189000743 351645699 /nfs/dbraw/zinc/64/56/99/351645699.db2.gz AMPXIOCZHSKEEI-CABZTGNLSA-N 1 3 269.295 0.485 10 0 CCAEHO CCN1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250211155 352503593 /nfs/dbraw/zinc/50/35/93/352503593.db2.gz CPRXTYZRPPWGKS-OLZOCXBDSA-N 1 3 253.390 0.977 10 0 CCAEHO C[C@H]1CN2CCC[C@H]2CN1C(=O)COC1CC[NH2+]CC1 ZINC000251819471 352511510 /nfs/dbraw/zinc/51/15/10/352511510.db2.gz OWVCZPJWSLVTMW-STQMWFEESA-N 1 3 281.400 0.450 10 0 CCAEHO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCN2CCC1CC2 ZINC000335184706 354981251 /nfs/dbraw/zinc/98/12/51/354981251.db2.gz PAJLDPNAOGYZFI-GFCCVEGCSA-N 1 3 266.389 0.618 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)CN(C)C1CC1 ZINC000336811819 355185820 /nfs/dbraw/zinc/18/58/20/355185820.db2.gz OPUWDWQQSVHQNH-BPLDGKMQSA-N 1 3 267.417 0.610 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H](O)CN(C)C1CC1 ZINC000336811819 355185822 /nfs/dbraw/zinc/18/58/22/355185822.db2.gz OPUWDWQQSVHQNH-BPLDGKMQSA-N 1 3 267.417 0.610 10 0 CCAEHO [NH3+]CCN1CCNC[C@H]1c1ccc2nnccc2c1 ZINC000616635388 365395402 /nfs/dbraw/zinc/39/54/02/365395402.db2.gz FZENWYRWMGVDOG-AWEZNQCLSA-N 1 3 257.341 0.535 10 0 CCAEHO CN1CCC[C@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766680 372213824 /nfs/dbraw/zinc/21/38/24/372213824.db2.gz QSQROAZYGWRPRN-IPYPFGDCSA-N 1 3 265.401 0.834 10 0 CCAEHO CN1CCC[C@@H](CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634766681 372214233 /nfs/dbraw/zinc/21/42/33/372214233.db2.gz QSQROAZYGWRPRN-YDHLFZDLSA-N 1 3 265.401 0.834 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCN1C ZINC000634768525 372216018 /nfs/dbraw/zinc/21/60/18/372216018.db2.gz NQXMFZYDJYJKNO-COMQUAJESA-N 1 3 265.401 0.975 10 0 CCAEHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CCCCC2)CCN1C ZINC000247080810 285042585 /nfs/dbraw/zinc/04/25/85/285042585.db2.gz OWJJQEPWRUQMSI-QLFBSQMISA-N 1 3 269.433 0.906 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089459168 285268048 /nfs/dbraw/zinc/26/80/48/285268048.db2.gz DPVLBWQAXFMRDX-FRRDWIJNSA-N 1 3 253.390 0.962 10 0 CCAEHO Cc1cc2n(n1)C[C@H](CNC[C@H](O)C[NH+]1CCCC1)CN2 ZINC000069327517 388950284 /nfs/dbraw/zinc/95/02/84/388950284.db2.gz VLOVPPYMCJRVGY-KGLIPLIRSA-N 1 3 293.415 0.280 10 0 CCAEHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625809 389214841 /nfs/dbraw/zinc/21/48/41/389214841.db2.gz OYPRYFJTDWXIFC-HUUCEWRRSA-N 1 3 267.417 0.877 10 0 CCAEHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245625809 389214842 /nfs/dbraw/zinc/21/48/42/389214842.db2.gz OYPRYFJTDWXIFC-HUUCEWRRSA-N 1 3 267.417 0.877 10 0 CCAEHO C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C[C@@H]1[NH3+] ZINC000333121597 389404919 /nfs/dbraw/zinc/40/49/19/389404919.db2.gz AOOJWHFFRURGNG-UZWSLXQKSA-N 1 3 266.389 0.600 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649328335 390586102 /nfs/dbraw/zinc/58/61/02/390586102.db2.gz PLWBZLPMYATRAQ-CHWSQXEVSA-N 1 3 269.389 0.165 10 0 CCAEHO COC[C@]1(C(=O)N(C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000643768068 390537862 /nfs/dbraw/zinc/53/78/62/390537862.db2.gz QBZDBGWMDAXBHL-AWEZNQCLSA-N 1 3 269.389 0.308 10 0 CCAEHO COC[C@@]1(C(=O)N[C@@H](C)CN2CCCCC2)CCC[NH2+]1 ZINC000649293965 390555845 /nfs/dbraw/zinc/55/58/45/390555845.db2.gz UONIJZLJBHYXKS-DZGCQCFKSA-N 1 3 283.416 0.746 10 0 CCAEHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000040636531 397392932 /nfs/dbraw/zinc/39/29/32/397392932.db2.gz PJILECYFKVBPST-BFHYXJOUSA-N 1 3 281.400 0.450 10 0 CCAEHO CO[C@H]1CN[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000040636531 397392934 /nfs/dbraw/zinc/39/29/34/397392934.db2.gz PJILECYFKVBPST-BFHYXJOUSA-N 1 3 281.400 0.450 10 0 CCAEHO CC(C)(C(=O)NC1CCC([NH3+])CC1)N1CCNCC1 ZINC000131276169 411723568 /nfs/dbraw/zinc/72/35/68/411723568.db2.gz KUTOTYDBAPRDPW-UHFFFAOYSA-N 1 3 268.405 0.056 10 0 CCAEHO CN(C)CCNC(=O)COc1ccc(C[NH3+])cc1 ZINC000021956659 171341275 /nfs/dbraw/zinc/34/12/75/171341275.db2.gz AQTJAENSYMZHJA-UHFFFAOYSA-N 1 3 251.330 0.202 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2(N)CCOCC2)C1 ZINC000662846260 414838710 /nfs/dbraw/zinc/83/87/10/414838710.db2.gz OTDLICIPDHGLIU-LBPRGKRZSA-N 1 3 283.416 0.731 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2(N)CCOCC2)C1 ZINC000662846260 414838715 /nfs/dbraw/zinc/83/87/15/414838715.db2.gz OTDLICIPDHGLIU-LBPRGKRZSA-N 1 3 283.416 0.731 10 0 CCAEHO CN(C)C[C@@H](NC(=O)COCC[NH3+])c1ccccc1 ZINC000093231874 544540916 /nfs/dbraw/zinc/54/09/16/544540916.db2.gz YKLVIUSHZLVZRR-CYBMUJFWSA-N 1 3 265.357 0.381 10 0 CCAEHO O=C(N1CCN2CCC[C@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389737 544564632 /nfs/dbraw/zinc/56/46/32/544564632.db2.gz XJRVFXDGUXRCDT-JQWIXIFHSA-N 1 3 291.317 0.835 10 0 CCAEHO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161020157 544703813 /nfs/dbraw/zinc/70/38/13/544703813.db2.gz LJIDHPYUZIYNRB-STQMWFEESA-N 1 3 253.390 0.977 10 0 CCAEHO CN(C)CCOCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000234229483 544867586 /nfs/dbraw/zinc/86/75/86/544867586.db2.gz DERGZIFLEURHJQ-NEPJUHHUSA-N 1 3 257.378 0.056 10 0 CCAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cncn2C)CC1 ZINC000177055368 278395724 /nfs/dbraw/zinc/39/57/24/278395724.db2.gz WJRPKELKUFIZLW-CYBMUJFWSA-N 1 3 280.416 0.945 10 0 CCAEHO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCNC[C@@H]2C)C1 ZINC000335285717 279293811 /nfs/dbraw/zinc/29/38/11/279293811.db2.gz RTXIUCTZSKTIBZ-NWDGAFQWSA-N 1 3 254.378 0.474 10 0 CCAEHO CC[N@H+]1CCC[C@@H](NC(=O)N2CCNC[C@@H]2C)C1 ZINC000335285717 279293813 /nfs/dbraw/zinc/29/38/13/279293813.db2.gz RTXIUCTZSKTIBZ-NWDGAFQWSA-N 1 3 254.378 0.474 10 0 CCAEHO CC1(C)CN(C(=O)C(N)C(F)(F)F)CC[C@H]1[NH3+] ZINC000335673877 281189578 /nfs/dbraw/zinc/18/95/78/281189578.db2.gz NOOSDWAQPLIEKZ-RNFRBKRXSA-N 1 3 253.268 0.462 10 0 CCAEHO NCC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189000790 303367295 /nfs/dbraw/zinc/36/72/95/303367295.db2.gz AMPXIOCZHSKEEI-JOYOIKCWSA-N 1 3 269.295 0.485 10 0 CCAEHO CCOCCOC[C@H](O)CN[C@@H](C)CC[NH+](C)C ZINC000049557135 519999299 /nfs/dbraw/zinc/99/92/99/519999299.db2.gz SQSKLSCJRUOEKP-QWHCGFSZSA-N 1 3 262.394 0.330 10 0 CCAEHO CN(C)CCN1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000061652496 521765879 /nfs/dbraw/zinc/76/58/79/521765879.db2.gz AXENWXAUIFZBSG-UHFFFAOYSA-N 1 3 268.449 0.827 10 0 CCAEHO C(C[NH2+]CCCN1CCOCC1)CN1CCCC1 ZINC000049332410 518391270 /nfs/dbraw/zinc/39/12/70/518391270.db2.gz SYTQHBXEWRXURH-UHFFFAOYSA-N 1 3 255.406 0.784 10 0 CCAEHO C(CNCCC[NH+]1CCCC1)CN1CCOCC1 ZINC000049332410 518391275 /nfs/dbraw/zinc/39/12/75/518391275.db2.gz SYTQHBXEWRXURH-UHFFFAOYSA-N 1 3 255.406 0.784 10 0 CCAEHO CCN(CC)CCNS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049641500 520687510 /nfs/dbraw/zinc/68/75/10/520687510.db2.gz DUFWIEMPOWOOMK-GFCCVEGCSA-N 1 3 277.434 0.247 10 0 CCAEHO CCN1CCC(N(C)C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000163888560 521556116 /nfs/dbraw/zinc/55/61/16/521556116.db2.gz FLZLYKHBKZOIBK-NSHDSACASA-N 1 3 253.390 0.785 10 0 CCAEHO CN(C)CCN1CCN(C(=[NH2+])NC2CCCC2)CC1 ZINC000061652363 521760470 /nfs/dbraw/zinc/76/04/70/521760470.db2.gz SMXIJUUJJTWGFF-UHFFFAOYSA-N 1 3 267.421 0.633 10 0 CCAEHO CC[C@H](C)[NH2+]C[C@@H](C)N1CCN(CCN(C)C)CC1 ZINC000061655320 524004010 /nfs/dbraw/zinc/00/40/10/524004010.db2.gz UXVWASHABJICBI-LSDHHAIUSA-N 1 3 270.465 0.942 10 0 CCAEHO COCC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455249 637026783 /nfs/dbraw/zinc/02/67/83/637026783.db2.gz CKSYNRSNVGOOPF-TUAOUCFPSA-N 1 3 255.362 0.045 10 0 CCAEHO COCC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455249 637026788 /nfs/dbraw/zinc/02/67/88/637026788.db2.gz CKSYNRSNVGOOPF-TUAOUCFPSA-N 1 3 255.362 0.045 10 0 CCAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092957604 349515478 /nfs/dbraw/zinc/51/54/78/349515478.db2.gz MHXNRLRSBODUSD-JHJVBQTASA-N 1 3 253.390 0.927 10 0 CCAEHO C[C@H](C(=O)NC[C@]1(N(C)C)CCSC1)C1C[NH2+]C1 ZINC000262469186 137044221 /nfs/dbraw/zinc/04/42/21/137044221.db2.gz YDSSFXSUSZAFHJ-GXFFZTMASA-N 1 3 271.430 0.395 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129588812 350218053 /nfs/dbraw/zinc/21/80/53/350218053.db2.gz NZVCJGFIRNCBTP-ZDUSSCGKSA-N 1 3 282.432 0.271 10 0 CCAEHO CC(C)C[C@@H](CN(C)C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129616014 350218869 /nfs/dbraw/zinc/21/88/69/350218869.db2.gz CVAPVJBIMFCUDB-AWEZNQCLSA-N 1 3 298.475 0.763 10 0 CCAEHO CCCN(CCN(C)C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129721777 350221335 /nfs/dbraw/zinc/22/13/35/350221335.db2.gz AQPFLZQPZYLCSZ-UHFFFAOYSA-N 1 3 284.448 0.470 10 0 CCAEHO CCC(CC)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1)[NH+]1CCCC1 ZINC000262424894 535144568 /nfs/dbraw/zinc/14/45/68/535144568.db2.gz RADLMWUITLMJAJ-KFWWJZLASA-N 1 3 297.443 0.726 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]1)N1CCCN(C2CC2)CC1 ZINC000178747851 351244754 /nfs/dbraw/zinc/24/47/54/351244754.db2.gz CIQPJKUDVRXGLZ-LBPRGKRZSA-N 1 3 251.374 0.825 10 0 CCAEHO CC[NH+](CC)CCN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000181371799 351315156 /nfs/dbraw/zinc/31/51/56/351315156.db2.gz GVXJJLSBJIVTJW-OAHLLOKOSA-N 1 3 296.459 0.567 10 0 CCAEHO C[C@H](O)C[NH+]1CCC(CN(C)C[C@H](O)C(F)(F)F)CC1 ZINC000181689446 351331925 /nfs/dbraw/zinc/33/19/25/351331925.db2.gz PNRFODHIORXHFT-JQWIXIFHSA-N 1 3 298.349 0.934 10 0 CCAEHO COC(=O)CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250362858 352504243 /nfs/dbraw/zinc/50/42/43/352504243.db2.gz GMERJPDFDDNVQZ-CHWSQXEVSA-N 1 3 297.399 0.130 10 0 CCAEHO COCCN1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333914330 354815367 /nfs/dbraw/zinc/81/53/67/354815367.db2.gz FYGKPGDGWCJYAS-AWEZNQCLSA-N 1 3 298.431 0.539 10 0 CCAEHO C[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)N1CCC[C@H](C)C1 ZINC000333948738 354819235 /nfs/dbraw/zinc/81/92/35/354819235.db2.gz WPIQAUGDOSWJCW-XUXIUFHCSA-N 1 3 298.431 0.081 10 0 CCAEHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000335037018 354943883 /nfs/dbraw/zinc/94/38/83/354943883.db2.gz ZMLVXCUGBUMZNL-UONOGXRCSA-N 1 3 265.401 0.927 10 0 CCAEHO CO[C@H]1C[N@H+](CCCN2CCOCC2)[C@](C)(CN)C1 ZINC000630362931 370064693 /nfs/dbraw/zinc/06/46/93/370064693.db2.gz BXWYLEBKSJRCAP-KGLIPLIRSA-N 1 3 271.405 0.147 10 0 CCAEHO CO[C@H]1C[N@@H+](CCCN2CCOCC2)[C@](C)(CN)C1 ZINC000630362931 370064698 /nfs/dbraw/zinc/06/46/98/370064698.db2.gz BXWYLEBKSJRCAP-KGLIPLIRSA-N 1 3 271.405 0.147 10 0 CCAEHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766861 372214681 /nfs/dbraw/zinc/21/46/81/372214681.db2.gz YNAHUXVDGQXBEE-ZOWXZIJZSA-N 1 3 263.385 0.729 10 0 CCAEHO O=C(N1CCN2CCC[C@@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767646 372215702 /nfs/dbraw/zinc/21/57/02/372215702.db2.gz FRRCRYDSENVYLQ-GUTXKFCHSA-N 1 3 263.385 0.683 10 0 CCAEHO CC1(C)CN(C(=O)C[C@@H]2CSCCN2)CC[C@H]1[NH3+] ZINC000334262120 206272860 /nfs/dbraw/zinc/27/28/60/206272860.db2.gz YYSLPDUAHZIWCP-GHMZBOCLSA-N 1 3 271.430 0.667 10 0 CCAEHO C[C@@H]1CN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000333425411 389412496 /nfs/dbraw/zinc/41/24/96/389412496.db2.gz TWMWBZDLSSQRAZ-VCDKRKBESA-N 1 3 266.389 0.458 10 0 CCAEHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649293787 390554568 /nfs/dbraw/zinc/55/45/68/390554568.db2.gz ISNSPBUONSHPCD-QWHCGFSZSA-N 1 3 269.389 0.213 10 0 CCAEHO CN(C)Cc1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000649295894 390557021 /nfs/dbraw/zinc/55/70/21/390557021.db2.gz DRQBKZBYBKUCPU-ZDUSSCGKSA-N 1 3 277.368 0.923 10 0 CCAEHO COC[C@]1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCC[NH2+]1 ZINC000649299065 390558661 /nfs/dbraw/zinc/55/86/61/390558661.db2.gz WTVRGBVAFFVIJB-ZFWWWQNUSA-N 1 3 283.416 0.555 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000258328318 397440550 /nfs/dbraw/zinc/44/05/50/397440550.db2.gz DNCCWCYHWFRURD-NWDGAFQWSA-N 1 3 254.378 0.522 10 0 CCAEHO CN1CCCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000335705794 289318603 /nfs/dbraw/zinc/31/86/03/289318603.db2.gz OCJXPPUFSBOAQO-CHWSQXEVSA-N 1 3 268.405 0.816 10 0 CCAEHO COCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188754927 292350074 /nfs/dbraw/zinc/35/00/74/292350074.db2.gz JHIZCJKUZMDGAM-WCQYABFASA-N 1 3 287.379 0.304 10 0 CCAEHO Cn1cc([C@@H]2CCCN2CCN2CC[NH2+]CC2)cn1 ZINC000311639947 411749848 /nfs/dbraw/zinc/74/98/48/411749848.db2.gz KTQSDVJSPPSBJT-AWEZNQCLSA-N 1 3 263.389 0.462 10 0 CCAEHO CC[NH2+][C@@H](C)CC(=O)Nc1ccnn1C1CNC1 ZINC000725257989 545880698 /nfs/dbraw/zinc/88/06/98/545880698.db2.gz CAHQGKZFCIHFKD-VIFPVBQESA-N 1 3 251.334 0.354 10 0 CCAEHO [NH3+][C@H]1CC12CCC(N1CCN(CCO)CC1)CC2 ZINC000725270983 545887598 /nfs/dbraw/zinc/88/75/98/545887598.db2.gz UYLVBKODYRQPSS-MOKVOYLWSA-N 1 3 253.390 0.256 10 0 CCAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COC1(C)CNC1 ZINC000098061771 544555905 /nfs/dbraw/zinc/55/59/05/544555905.db2.gz FKEYTZJJXPOGBN-NWDGAFQWSA-N 1 3 267.373 0.060 10 0 CCAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COC1(C)CNC1 ZINC000098061771 544555909 /nfs/dbraw/zinc/55/59/09/544555909.db2.gz FKEYTZJJXPOGBN-NWDGAFQWSA-N 1 3 267.373 0.060 10 0 CCAEHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000162040005 277061305 /nfs/dbraw/zinc/06/13/05/277061305.db2.gz OYPRYFJTDWXIFC-CABCVRRESA-N 1 3 267.417 0.877 10 0 CCAEHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000162040005 277061306 /nfs/dbraw/zinc/06/13/06/277061306.db2.gz OYPRYFJTDWXIFC-CABCVRRESA-N 1 3 267.417 0.877 10 0 CCAEHO CCN(CC)CC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245608076 279104856 /nfs/dbraw/zinc/10/48/56/279104856.db2.gz KQCKDLLETVWQQW-GJZGRUSLSA-N 1 3 269.433 0.981 10 0 CCAEHO CCN(CC)CC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000245608076 279104857 /nfs/dbraw/zinc/10/48/57/279104857.db2.gz KQCKDLLETVWQQW-GJZGRUSLSA-N 1 3 269.433 0.981 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)NCC3([NH3+])CCC3)[C@@H]2C1 ZINC000333625409 290150542 /nfs/dbraw/zinc/15/05/42/290150542.db2.gz FTLNDEMBGBRDRH-VXGBXAGGSA-N 1 3 266.389 0.603 10 0 CCAEHO C[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCCN1 ZINC000334590161 297865076 /nfs/dbraw/zinc/86/50/76/297865076.db2.gz NCEDGBALGSKFPY-KBPBESRZSA-N 1 3 251.374 0.731 10 0 CCAEHO CCC[NH2+][C@H](C)CN1CCN(CCN(C)C)CC1 ZINC000061644039 520061257 /nfs/dbraw/zinc/06/12/57/520061257.db2.gz PVNXRGNDWZVYPH-CQSZACIVSA-N 1 3 256.438 0.554 10 0 CCAEHO CCN(CC)C[C@H](O)C[NH2+][C@H](C)Cn1ccnc1 ZINC000049235178 520737403 /nfs/dbraw/zinc/73/74/03/520737403.db2.gz DKAMZQRLXAZFJE-CHWSQXEVSA-N 1 3 254.378 0.564 10 0 CCAEHO CC[NH+](CC)C[C@H](O)CN[C@H](C)Cn1ccnc1 ZINC000049235178 520737397 /nfs/dbraw/zinc/73/73/97/520737397.db2.gz DKAMZQRLXAZFJE-CHWSQXEVSA-N 1 3 254.378 0.564 10 0 CCAEHO CN(C)CCN1CCN([C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000061642703 521767002 /nfs/dbraw/zinc/76/70/02/521767002.db2.gz MUKAUTPRHWZBRY-LLVKDONJSA-N 1 3 282.354 0.445 10 0 CCAEHO CCn1cc(CN2CCCN(CCC[NH3+])CC2)cn1 ZINC000050539182 523370714 /nfs/dbraw/zinc/37/07/14/523370714.db2.gz XDIADVFIBGWBQK-UHFFFAOYSA-N 1 3 265.405 0.760 10 0 CCAEHO COCCN(C)CCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000061401496 523598330 /nfs/dbraw/zinc/59/83/30/523598330.db2.gz NTTOYNIYYRUKFN-QWHCGFSZSA-N 1 3 271.405 0.446 10 0 CCAEHO CC[C@H](C)[NH+]1CCN(CCn2cc(CN)nn2)CC1 ZINC000055074220 523953860 /nfs/dbraw/zinc/95/38/60/523953860.db2.gz YBMICIBQOVLXAH-LBPRGKRZSA-N 1 3 266.393 0.153 10 0 CCAEHO C[C@H]1CC[C@@H](C(=O)NCCN2CCCCC2)C[NH2+]1 ZINC000049575586 524333560 /nfs/dbraw/zinc/33/35/60/524333560.db2.gz IDQRSVXVTXMCPL-QWHCGFSZSA-N 1 3 253.390 0.977 10 0 CCAEHO C[C@H]1C[C@H](C(=O)NC2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000055126698 524867337 /nfs/dbraw/zinc/86/73/37/524867337.db2.gz MVOGNSCHTNOFNL-LOWVWBTDSA-N 1 3 253.390 0.960 10 0 CCAEHO COc1ccc(C[C@H](C)NC[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263226207 536527748 /nfs/dbraw/zinc/52/77/48/536527748.db2.gz MUNULNXVCMJPIO-IACUBPJLSA-N 1 3 294.395 0.805 10 0 CCAEHO C[NH+]1C[C@H]2CN(c3cc4c(nn3)CCNC4)C[C@@H]2C1 ZINC000675061046 545320853 /nfs/dbraw/zinc/32/08/53/545320853.db2.gz WYIISMMUPZQSAT-RYUDHWBXSA-N 1 3 259.357 0.120 10 0 CCAEHO CCN1CCN(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261911932 535679937 /nfs/dbraw/zinc/67/99/37/535679937.db2.gz TVHUAYCVLRFBIQ-CQSZACIVSA-N 1 3 296.459 0.600 10 0 CCAEHO C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251638488 649813959 /nfs/dbraw/zinc/81/39/59/649813959.db2.gz FTYIJNCHQKDSJC-AGIUHOORSA-N 1 3 287.429 0.237 10 0 CCAEHO CS[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000262565913 295670030 /nfs/dbraw/zinc/67/00/30/295670030.db2.gz LFTIOAUNFWKXDB-RYUDHWBXSA-N 1 3 271.430 0.490 10 0 CCAEHO CC[N@H+](CCNC(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000252442087 137003208 /nfs/dbraw/zinc/00/32/08/137003208.db2.gz GGZLWAIMTJQABL-AWEZNQCLSA-N 1 3 280.416 0.960 10 0 CCAEHO CC[N@@H+](CCNC(=O)N1CCN2CCC[C@H]2C1)C1CC1 ZINC000252442087 137003209 /nfs/dbraw/zinc/00/32/09/137003209.db2.gz GGZLWAIMTJQABL-AWEZNQCLSA-N 1 3 280.416 0.960 10 0 CCAEHO COCCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261860602 137022762 /nfs/dbraw/zinc/02/27/62/137022762.db2.gz WTBPTXONEUTLNH-TZMCWYRMSA-N 1 3 283.416 0.588 10 0 CCAEHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC1CCOCC1 ZINC000261876350 137023917 /nfs/dbraw/zinc/02/39/17/137023917.db2.gz ZSRHEJRIBQDNNG-UHFFFAOYSA-N 1 3 281.400 0.357 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC000054309013 348549798 /nfs/dbraw/zinc/54/97/98/348549798.db2.gz HFTSXYXDUAXLAB-NWDGAFQWSA-N 1 3 251.374 0.729 10 0 CCAEHO CN(C(=O)C(C)(C)N1CC[NH2+]CC1)C1CCN(C)CC1 ZINC000129583413 350217884 /nfs/dbraw/zinc/21/78/84/350217884.db2.gz NHBQKKULGVBUKM-UHFFFAOYSA-N 1 3 282.432 0.223 10 0 CCAEHO C[C@H](CC[NH+](C)C)NC(=O)C(C)(C)N1CCNCC1 ZINC000131263889 350270268 /nfs/dbraw/zinc/27/02/68/350270268.db2.gz NEGBEILXQLUBRJ-GFCCVEGCSA-N 1 3 270.421 0.127 10 0 CCAEHO C[NH+](C)[C@H]1CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000170827842 350865932 /nfs/dbraw/zinc/86/59/32/350865932.db2.gz ZUFLCSXXOGNVHH-AWEZNQCLSA-N 1 3 280.416 0.959 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CSCCN3)C[C@H]12 ZINC000248638990 352449763 /nfs/dbraw/zinc/44/97/63/352449763.db2.gz QXDLYECIZLSDCA-WISYIIOYSA-N 1 3 269.414 0.277 10 0 CCAEHO CN(C)[C@@H]1C[N@@H+](C2CCN(C)CC2)CC[C@@H]1CO ZINC000257179565 352547871 /nfs/dbraw/zinc/54/78/71/352547871.db2.gz IZPQSASLKUUESZ-TZMCWYRMSA-N 1 3 255.406 0.325 10 0 CCAEHO CN(C)[C@@H]1C[N@H+](C2CCN(C)CC2)CC[C@@H]1CO ZINC000257179565 352547873 /nfs/dbraw/zinc/54/78/73/352547873.db2.gz IZPQSASLKUUESZ-TZMCWYRMSA-N 1 3 255.406 0.325 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000250368563 352504509 /nfs/dbraw/zinc/50/45/09/352504509.db2.gz VGLGBLYDXFNCBR-CHWSQXEVSA-N 1 3 253.390 0.977 10 0 CCAEHO CCN1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333923518 354816167 /nfs/dbraw/zinc/81/61/67/354816167.db2.gz SGJVTIREKSICMQ-CYBMUJFWSA-N 1 3 268.405 0.912 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)CN(C)CCOC ZINC000380790166 357706582 /nfs/dbraw/zinc/70/65/82/357706582.db2.gz IBOCGHJXEMANHJ-CABCVRRESA-N 1 3 287.448 0.342 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H](O)CN(C)CCOC ZINC000380790166 357706586 /nfs/dbraw/zinc/70/65/86/357706586.db2.gz IBOCGHJXEMANHJ-CABCVRRESA-N 1 3 287.448 0.342 10 0 CCAEHO CCOC(=O)c1ccc([C@@H]2CNCCN2CC[NH3+])cc1 ZINC000616635919 365394704 /nfs/dbraw/zinc/39/47/04/365394704.db2.gz NILMNDJBWWNHOH-AWEZNQCLSA-N 1 3 277.368 0.768 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634770871 372220781 /nfs/dbraw/zinc/22/07/81/372220781.db2.gz ZSFYKDFMFARWOL-SCRDCRAPSA-N 1 3 251.374 0.539 10 0 CCAEHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1C)[N@H+](C)C1CC1 ZINC000105191966 389085412 /nfs/dbraw/zinc/08/54/12/389085412.db2.gz BVIKSNDSRQFQBS-AAEUAGOBSA-N 1 3 268.405 0.863 10 0 CCAEHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1C)[N@@H+](C)C1CC1 ZINC000105191966 389085414 /nfs/dbraw/zinc/08/54/14/389085414.db2.gz BVIKSNDSRQFQBS-AAEUAGOBSA-N 1 3 268.405 0.863 10 0 CCAEHO CCC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)N(C)C ZINC000120616816 389144030 /nfs/dbraw/zinc/14/40/30/389144030.db2.gz YNQXQTMRDQFBSQ-YPMHNXCESA-N 1 3 259.394 0.146 10 0 CCAEHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336391069 389634767 /nfs/dbraw/zinc/63/47/67/389634767.db2.gz RPDWCGNSYPKLPG-JSGCOSHPSA-N 1 3 278.400 0.713 10 0 CCAEHO O=C(N[C@H]1CCN(C2CC2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336391069 389634770 /nfs/dbraw/zinc/63/47/70/389634770.db2.gz RPDWCGNSYPKLPG-JSGCOSHPSA-N 1 3 278.400 0.713 10 0 CCAEHO NCC1(C(=O)N=c2ccn([C@H]3CC[NH2+]C3)[nH]2)CCCC1 ZINC000547691802 390390697 /nfs/dbraw/zinc/39/06/97/390390697.db2.gz ZNEAEBQRYDYZEX-NSHDSACASA-N 1 3 277.372 0.297 10 0 CCAEHO CC(C)(C(=O)NCCN1CCCCC1)N1CC[NH2+]CC1 ZINC000129710336 411720809 /nfs/dbraw/zinc/72/08/09/411720809.db2.gz UANMEEIRIYXJTK-UHFFFAOYSA-N 1 3 282.432 0.272 10 0 CCAEHO CC[C@@H]1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000616570138 411841180 /nfs/dbraw/zinc/84/11/80/411841180.db2.gz MAPPONXIJLKBCH-YPMHNXCESA-N 1 3 253.390 0.914 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000662911050 414886196 /nfs/dbraw/zinc/88/61/96/414886196.db2.gz QTSRXZURMTVLOG-OCCSQVGLSA-N 1 3 269.389 0.356 10 0 CCAEHO [NH3+][C@@H]1CC12CCC(N1CCN(CCO)CC1)CC2 ZINC000725270984 545887963 /nfs/dbraw/zinc/88/79/63/545887963.db2.gz UYLVBKODYRQPSS-ROKHWSDSSA-N 1 3 253.390 0.256 10 0 CCAEHO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCN(C)CC1 ZINC000089449433 544513743 /nfs/dbraw/zinc/51/37/43/544513743.db2.gz AGXDUPRWTIDQDS-DGCLKSJQSA-N 1 3 253.390 0.914 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000250684256 544924112 /nfs/dbraw/zinc/92/41/12/544924112.db2.gz ZVTFSISSSKIHTN-GMXVVIOVSA-N 1 3 251.374 0.714 10 0 CCAEHO NC(C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000334844309 545047485 /nfs/dbraw/zinc/04/74/85/545047485.db2.gz JLLVQVPFBPHHHM-SCZZXKLOSA-N 1 3 265.279 0.478 10 0 CCAEHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111866928 277222796 /nfs/dbraw/zinc/22/27/96/277222796.db2.gz POSPLXCBYBZDOF-KBPBESRZSA-N 1 3 298.431 0.443 10 0 CCAEHO CC(C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)N1CCCCC1 ZINC000262146358 277869596 /nfs/dbraw/zinc/86/95/96/277869596.db2.gz HMJMVYGWKAGTTF-HZSPNIEDSA-N 1 3 283.416 0.193 10 0 CCAEHO CC1(C)CN(C(=O)C(N)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000335673876 281189666 /nfs/dbraw/zinc/18/96/66/281189666.db2.gz NOOSDWAQPLIEKZ-NKWVEPMBSA-N 1 3 253.268 0.462 10 0 CCAEHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000089460973 295272325 /nfs/dbraw/zinc/27/23/25/295272325.db2.gz ZVTFSISSSKIHTN-NQBHXWOUSA-N 1 3 251.374 0.714 10 0 CCAEHO CC(C)[N@H+](C)C[C@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000388659910 545086340 /nfs/dbraw/zinc/08/63/40/545086340.db2.gz BDUJMFQRNVNPNZ-CABCVRRESA-N 1 3 269.433 0.858 10 0 CCAEHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN2CCCC[C@@H]2C1 ZINC000388659910 545086341 /nfs/dbraw/zinc/08/63/41/545086341.db2.gz BDUJMFQRNVNPNZ-CABCVRRESA-N 1 3 269.433 0.858 10 0 CCAEHO CC[N@H+](C)C[C@@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000381166830 327134702 /nfs/dbraw/zinc/13/47/02/327134702.db2.gz URDKFGCSLDCMCK-UONOGXRCSA-N 1 3 255.406 0.469 10 0 CCAEHO CC[N@@H+](C)C[C@@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000381166830 327134703 /nfs/dbraw/zinc/13/47/03/327134703.db2.gz URDKFGCSLDCMCK-UONOGXRCSA-N 1 3 255.406 0.469 10 0 CCAEHO C[C@H]1CCC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1[NH3+] ZINC000055126713 524127289 /nfs/dbraw/zinc/12/72/89/524127289.db2.gz PEWCIPVKIAKFHO-CYZMBNFOSA-N 1 3 253.390 0.960 10 0 CCAEHO NNc1ccc(C(=O)N[C@@H]2CCN3CCC[C@H]23)c[nH+]1 ZINC000051116580 527277984 /nfs/dbraw/zinc/27/79/84/527277984.db2.gz YQLSPTWAVGYJKY-GHMZBOCLSA-N 1 3 261.329 0.334 10 0 CCAEHO OC[C@H]1CCCN1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183320 527614913 /nfs/dbraw/zinc/61/49/13/527614913.db2.gz QWWLATVHEUHXEN-CQSZACIVSA-N 1 3 268.401 0.992 10 0 CCAEHO OC[C@H]1CCC[N@@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052183320 527614919 /nfs/dbraw/zinc/61/49/19/527614919.db2.gz QWWLATVHEUHXEN-CQSZACIVSA-N 1 3 268.401 0.992 10 0 CCAEHO OC[C@H]1CCC[N@H+]1CC1(CNC2CC2)CCOCC1 ZINC000052183320 527614921 /nfs/dbraw/zinc/61/49/21/527614921.db2.gz QWWLATVHEUHXEN-CQSZACIVSA-N 1 3 268.401 0.992 10 0 CCAEHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(F)(F)F ZINC000262049922 622635305 /nfs/dbraw/zinc/63/53/05/622635305.db2.gz ZOHXDDNWNSKXAB-LNFKQOIKSA-N 1 3 282.306 0.656 10 0 CCAEHO COCCOCCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000311853687 637335815 /nfs/dbraw/zinc/33/58/15/637335815.db2.gz SXNCADBQCJWKRR-MJBXVCDLSA-N 1 3 272.389 0.335 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000094648740 649746433 /nfs/dbraw/zinc/74/64/33/649746433.db2.gz OLQHRMIRGOADRA-DGAVXFQQSA-N 1 3 281.400 0.354 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000111272835 349769338 /nfs/dbraw/zinc/76/93/38/349769338.db2.gz OPOKBABQUHXAML-FRRDWIJNSA-N 1 3 251.374 0.539 10 0 CCAEHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261752848 137018341 /nfs/dbraw/zinc/01/83/41/137018341.db2.gz MWKYUDNSBCDQAJ-JHJVBQTASA-N 1 3 269.389 0.198 10 0 CCAEHO CN(C)CCOc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263278636 137062409 /nfs/dbraw/zinc/06/24/09/137062409.db2.gz JEPUYXDXXSFALD-UHFFFAOYSA-N 1 3 277.368 0.463 10 0 CCAEHO C[C@H](Cc1nc([C@H]2CNCCN2C)no1)[C@H]1CCC[NH2+]C1 ZINC000263217854 137060273 /nfs/dbraw/zinc/06/02/73/137060273.db2.gz LFHMNXWMWUSUAQ-FRRDWIJNSA-N 1 3 293.415 0.824 10 0 CCAEHO [NH3+]CC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCOCC1 ZINC000062976481 348674493 /nfs/dbraw/zinc/67/44/93/348674493.db2.gz ZSZSKPXCHWTMBI-CYBMUJFWSA-N 1 3 281.400 0.439 10 0 CCAEHO COCCN1CCC(NC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170834443 350867064 /nfs/dbraw/zinc/86/70/64/350867064.db2.gz NLJVAHNGBATLCX-CQSZACIVSA-N 1 3 298.431 0.443 10 0 CCAEHO CC[NH+](CC)CCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897188 350941374 /nfs/dbraw/zinc/94/13/74/350941374.db2.gz HJCSUXURCUXVHA-CYBMUJFWSA-N 1 3 268.405 0.818 10 0 CCAEHO C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCN1 ZINC000180895960 351294162 /nfs/dbraw/zinc/29/41/62/351294162.db2.gz GDRRYGRBCRVXQC-BRZZBQFESA-N 1 3 251.374 0.918 10 0 CCAEHO NCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189000766 351645621 /nfs/dbraw/zinc/64/56/21/351645621.db2.gz AMPXIOCZHSKEEI-SKDRFNHKSA-N 1 3 269.295 0.485 10 0 CCAEHO O=C(CNC[C@H]1CCCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328634705 354242965 /nfs/dbraw/zinc/24/29/65/354242965.db2.gz MYBZYJFHRMQNGS-TZMCWYRMSA-N 1 3 281.400 0.498 10 0 CCAEHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333824575 354800484 /nfs/dbraw/zinc/80/04/84/354800484.db2.gz RPTYFSZDWUPMKN-CRWXNKLISA-N 1 3 298.431 0.081 10 0 CCAEHO C[C@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCN1C ZINC000634768527 372215758 /nfs/dbraw/zinc/21/57/58/372215758.db2.gz NQXMFZYDJYJKNO-XPCVCDNBSA-N 1 3 265.401 0.975 10 0 CCAEHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040855281 388858744 /nfs/dbraw/zinc/85/87/44/388858744.db2.gz JCHONGNLCVNPRD-KBPBESRZSA-N 1 3 277.368 0.087 10 0 CCAEHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000252560724 389265303 /nfs/dbraw/zinc/26/53/03/389265303.db2.gz VVZASTAGEPUBLE-RNJOBUHISA-N 1 3 267.373 0.093 10 0 CCAEHO C[C@@H]([NH2+]CCCN1CCOCC1)[C@H]1CCCNC1 ZINC000643454250 390448123 /nfs/dbraw/zinc/44/81/23/390448123.db2.gz QDCOOOJAOIMIPX-KGLIPLIRSA-N 1 3 255.406 0.686 10 0 CCAEHO COCCC1(C(=O)NCCN2CCCC2)CC[NH2+]CC1 ZINC000649280962 390548280 /nfs/dbraw/zinc/54/82/80/390548280.db2.gz YMZZMAKDIWHFQE-UHFFFAOYSA-N 1 3 283.416 0.605 10 0 CCAEHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CC(C)(C)CN(C)C ZINC000020303262 171140363 /nfs/dbraw/zinc/14/03/63/171140363.db2.gz KEWUPEBXYVYZJS-SECBINFHSA-N 1 3 258.366 0.008 10 0 CCAEHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000662591801 414730986 /nfs/dbraw/zinc/73/09/86/414730986.db2.gz FVXTYOWVYXCXKI-GRYCIOLGSA-N 1 3 271.380 0.923 10 0 CCAEHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000662591801 414730987 /nfs/dbraw/zinc/73/09/87/414730987.db2.gz FVXTYOWVYXCXKI-GRYCIOLGSA-N 1 3 271.380 0.923 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000111247279 544562116 /nfs/dbraw/zinc/56/21/16/544562116.db2.gz SXFDPAGJRDFCPG-KOLCDFICSA-N 1 3 279.306 0.691 10 0 CCAEHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262075433 544939231 /nfs/dbraw/zinc/93/92/31/544939231.db2.gz CADNZXYDKYNDNS-KGLIPLIRSA-N 1 3 277.368 0.058 10 0 CCAEHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262075438 544939420 /nfs/dbraw/zinc/93/94/20/544939420.db2.gz CADNZXYDKYNDNS-UONOGXRCSA-N 1 3 277.368 0.058 10 0 CCAEHO C[C@H](Cc1ccc(F)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262086833 544939472 /nfs/dbraw/zinc/93/94/72/544939472.db2.gz GEOQUYOUTRRJGL-MPKXVKKWSA-N 1 3 252.333 0.927 10 0 CCAEHO O[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000262153453 275054768 /nfs/dbraw/zinc/05/47/68/275054768.db2.gz RMYZJYXNVYFMLJ-IACUBPJLSA-N 1 3 266.772 0.977 10 0 CCAEHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246193429 276372379 /nfs/dbraw/zinc/37/23/79/276372379.db2.gz MNGCFSDJPUZGKM-KGLIPLIRSA-N 1 3 298.431 0.443 10 0 CCAEHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000246193429 276372382 /nfs/dbraw/zinc/37/23/82/276372382.db2.gz MNGCFSDJPUZGKM-KGLIPLIRSA-N 1 3 298.431 0.443 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246272606 279326704 /nfs/dbraw/zinc/32/67/04/279326704.db2.gz LXGBKIYREUDZHF-WCQYABFASA-N 1 3 257.353 0.631 10 0 CCAEHO OCCN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000384746803 545085425 /nfs/dbraw/zinc/08/54/25/545085425.db2.gz RPJOIMJRTZETOC-KKUMJFAQSA-N 1 3 267.417 0.660 10 0 CCAEHO OCCN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000384746803 545085426 /nfs/dbraw/zinc/08/54/26/545085426.db2.gz RPJOIMJRTZETOC-KKUMJFAQSA-N 1 3 267.417 0.660 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)Cc2ccccc2C1 ZINC000193590684 297544431 /nfs/dbraw/zinc/54/44/31/297544431.db2.gz DDVKZPSSMGLDKO-SMDDNHRTSA-N 1 3 273.380 0.739 10 0 CCAEHO CCN(CCC[NH2+][C@@H](C)[C@@H]1CCCNC1)S(C)(=O)=O ZINC000580768419 335964152 /nfs/dbraw/zinc/96/41/52/335964152.db2.gz CGBPRTHBFZWPDI-QWHCGFSZSA-N 1 3 291.461 0.636 10 0 CCAEHO C[C@H](CC[NH2+]C1CC1)N1CCN(CCN(C)C)CC1 ZINC000061655027 524192953 /nfs/dbraw/zinc/19/29/53/524192953.db2.gz XSQCUKRJEWNHMO-CQSZACIVSA-N 1 3 268.449 0.696 10 0 CCAEHO C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)CC[C@@H]1[NH3+] ZINC000055136285 525189594 /nfs/dbraw/zinc/18/95/94/525189594.db2.gz WCENWYOSIQNWPH-XQHKEYJVSA-N 1 3 253.390 0.960 10 0 CCAEHO COCCOCCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000311853685 623806812 /nfs/dbraw/zinc/80/68/12/623806812.db2.gz SXNCADBQCJWKRR-MELADBBJSA-N 1 3 272.389 0.335 10 0 CCAEHO C/C=C(/C)C[N@@H+]1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 ZINC000096859337 649824576 /nfs/dbraw/zinc/82/45/76/649824576.db2.gz GZRAUZURHZVBOX-NLPGRPMYSA-N 1 3 268.401 0.845 10 0 CCAEHO C/C=C(/C)C[N@H+]1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 ZINC000096859337 649824577 /nfs/dbraw/zinc/82/45/77/649824577.db2.gz GZRAUZURHZVBOX-NLPGRPMYSA-N 1 3 268.401 0.845 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252651478 649830819 /nfs/dbraw/zinc/83/08/19/649830819.db2.gz OLQHRMIRGOADRA-XUXIUFHCSA-N 1 3 281.400 0.354 10 0 CCAEHO O=C(NCCN1CCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262555369 137046879 /nfs/dbraw/zinc/04/68/79/137046879.db2.gz PIYGMFOBLNBWIE-DZGCQCFKSA-N 1 3 265.401 0.978 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000062972350 348673808 /nfs/dbraw/zinc/67/38/08/348673808.db2.gz ZLMMYGAGLRIFGY-ZDUSSCGKSA-N 1 3 253.390 0.929 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCNCC1 ZINC000129625826 350218394 /nfs/dbraw/zinc/21/83/94/350218394.db2.gz BXMNAERMSBBWFB-ZIAGYGMSSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCNCC1 ZINC000129625826 350218399 /nfs/dbraw/zinc/21/83/99/350218399.db2.gz BXMNAERMSBBWFB-ZIAGYGMSSA-N 1 3 294.443 0.413 10 0 CCAEHO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129636459 350218710 /nfs/dbraw/zinc/21/87/10/350218710.db2.gz DKFDQGRXLKBRTK-ZDUSSCGKSA-N 1 3 282.432 0.128 10 0 CCAEHO CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000129636459 350218712 /nfs/dbraw/zinc/21/87/12/350218712.db2.gz DKFDQGRXLKBRTK-ZDUSSCGKSA-N 1 3 282.432 0.128 10 0 CCAEHO CC[NH+]1CCC(CNC(=O)C(C)(C)N2CCNCC2)CC1 ZINC000129716083 350221344 /nfs/dbraw/zinc/22/13/44/350221344.db2.gz DRBANBJDMWVIOU-UHFFFAOYSA-N 1 3 296.459 0.518 10 0 CCAEHO CC(C)(C(=O)N1CC[C@@H](N2CCCC2)C1)N1CC[NH2+]CC1 ZINC000129743905 350222221 /nfs/dbraw/zinc/22/22/21/350222221.db2.gz AKSGSYHRZJYSLX-CQSZACIVSA-N 1 3 294.443 0.367 10 0 CCAEHO CCC[C@H](C(=O)NC1CC[NH+](CCOC)CC1)N(C)C ZINC000161783748 350729355 /nfs/dbraw/zinc/72/93/55/350729355.db2.gz HBYJBTIPOQSBEN-CQSZACIVSA-N 1 3 285.432 0.944 10 0 CCAEHO CN(C)CCNC(=O)[C@@H]1C[N@H+](C)CC12CCOCC2 ZINC000169792435 350840436 /nfs/dbraw/zinc/84/04/36/350840436.db2.gz NMQBMABRPZTPPP-LBPRGKRZSA-N 1 3 269.389 0.023 10 0 CCAEHO CN(C)CCNC(=O)[C@@H]1C[N@@H+](C)CC12CCOCC2 ZINC000169792435 350840441 /nfs/dbraw/zinc/84/04/41/350840441.db2.gz NMQBMABRPZTPPP-LBPRGKRZSA-N 1 3 269.389 0.023 10 0 CCAEHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN2CCC[C@H]2C1 ZINC000171901552 350941672 /nfs/dbraw/zinc/94/16/72/350941672.db2.gz FHDWJOWTKBNHJS-ZFWWWQNUSA-N 1 3 292.427 0.960 10 0 CCAEHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN2CCC[C@H]2C1 ZINC000171901552 350941678 /nfs/dbraw/zinc/94/16/78/350941678.db2.gz FHDWJOWTKBNHJS-ZFWWWQNUSA-N 1 3 292.427 0.960 10 0 CCAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188729681 351622149 /nfs/dbraw/zinc/62/21/49/351622149.db2.gz HBUYEIWFLPFXKG-LLVKDONJSA-N 1 3 293.415 0.762 10 0 CCAEHO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)O1 ZINC000249058403 352475627 /nfs/dbraw/zinc/47/56/27/352475627.db2.gz ZIHGVJRBIXOXIT-ARQSVGKCSA-N 1 3 295.427 0.837 10 0 CCAEHO C[C@@H]1NCCN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@H]1C ZINC000333672163 354774374 /nfs/dbraw/zinc/77/43/74/354774374.db2.gz NHDZGXNMGAUABO-SDDRHHMPSA-N 1 3 254.378 0.520 10 0 CCAEHO Cc1noc(CCCN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000567890454 358606967 /nfs/dbraw/zinc/60/69/67/358606967.db2.gz QKCRFSTXKRACOP-TUAOUCFPSA-N 1 3 250.346 0.980 10 0 CCAEHO CN1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000192797592 389053862 /nfs/dbraw/zinc/05/38/62/389053862.db2.gz AXEPINSCGWIXOK-CQSZACIVSA-N 1 3 298.431 0.227 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000310921475 389100008 /nfs/dbraw/zinc/10/00/08/389100008.db2.gz HGHJOEQFVPOEHD-RTXFEEFZSA-N 1 3 251.374 0.395 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000311652277 389104415 /nfs/dbraw/zinc/10/44/15/389104415.db2.gz FASMYXHSYMOIQV-UBHSHLNASA-N 1 3 265.401 0.927 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000170830565 389464175 /nfs/dbraw/zinc/46/41/75/389464175.db2.gz LZGKUHRZGXBAFF-JSGCOSHPSA-N 1 3 280.416 0.816 10 0 CCAEHO CN(C)[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000170830565 389464178 /nfs/dbraw/zinc/46/41/78/389464178.db2.gz LZGKUHRZGXBAFF-JSGCOSHPSA-N 1 3 280.416 0.816 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333938884 389450158 /nfs/dbraw/zinc/45/01/58/389450158.db2.gz MWEFUTCVLURYAO-QNWHQSFQSA-N 1 3 266.389 0.459 10 0 CCAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cncn2C)CC1 ZINC000177055352 389570939 /nfs/dbraw/zinc/57/09/39/389570939.db2.gz WJRPKELKUFIZLW-ZDUSSCGKSA-N 1 3 280.416 0.945 10 0 CCAEHO COCCC1(C(=O)NC[C@@H](C)N(C)C)CC[NH2+]CC1 ZINC000649305984 390565314 /nfs/dbraw/zinc/56/53/14/390565314.db2.gz SFFOUGHUPNXDDN-GFCCVEGCSA-N 1 3 271.405 0.459 10 0 CCAEHO COC[C@@]1(C(=O)NC[C@@H](C)N(C)C2CC2)CCC[NH2+]1 ZINC000649319599 390577579 /nfs/dbraw/zinc/57/75/79/390577579.db2.gz IJUONTUGMNDRNN-BXUZGUMPSA-N 1 3 269.389 0.354 10 0 CCAEHO CC(C)[N@H+](C)C[C@@H](O)Cn1cc(C(C)(C)N)nn1 ZINC000380956649 397484435 /nfs/dbraw/zinc/48/44/35/397484435.db2.gz RPFUZYRKQJCWLN-SNVBAGLBSA-N 1 3 255.366 0.173 10 0 CCAEHO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(C(C)(C)N)nn1 ZINC000380956649 397484438 /nfs/dbraw/zinc/48/44/38/397484438.db2.gz RPFUZYRKQJCWLN-SNVBAGLBSA-N 1 3 255.366 0.173 10 0 CCAEHO C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCCC1 ZINC000653347502 412292152 /nfs/dbraw/zinc/29/21/52/412292152.db2.gz DWVHKXPXUIJNHV-GMTAPVOTSA-N 1 3 293.333 0.985 10 0 CCAEHO C[N@@H+]1CCCN(c2nc3sccn3c2CN)CC1 ZINC000035429979 172198396 /nfs/dbraw/zinc/19/83/96/172198396.db2.gz YQWZAPCKKVBNSV-UHFFFAOYSA-N 1 3 265.386 0.996 10 0 CCAEHO C[N@H+]1CCCN(c2nc3sccn3c2CN)CC1 ZINC000035429979 172198398 /nfs/dbraw/zinc/19/83/98/172198398.db2.gz YQWZAPCKKVBNSV-UHFFFAOYSA-N 1 3 265.386 0.996 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000662703587 414743472 /nfs/dbraw/zinc/74/34/72/414743472.db2.gz MDNFLYHRSNXGGB-JHJVBQTASA-N 1 3 253.390 0.975 10 0 CCAEHO CO[C@@H]1C[NH2+][C@H](CN2CCN(CC(C)C)CC2)C1 ZINC000055083616 544444872 /nfs/dbraw/zinc/44/48/72/544444872.db2.gz YOIBSRHTDDZYNH-KBPBESRZSA-N 1 3 255.406 0.637 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250219618 544921656 /nfs/dbraw/zinc/92/16/56/544921656.db2.gz DPVLBWQAXFMRDX-AVGNSLFASA-N 1 3 253.390 0.962 10 0 CCAEHO CCN1CCO[C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000250217098 544922068 /nfs/dbraw/zinc/92/20/68/544922068.db2.gz DIAPHCQUUXCYNE-HZSPNIEDSA-N 1 3 255.406 0.779 10 0 CCAEHO CCN1CCO[C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000250217098 544922073 /nfs/dbraw/zinc/92/20/73/544922073.db2.gz DIAPHCQUUXCYNE-HZSPNIEDSA-N 1 3 255.406 0.779 10 0 CCAEHO C[C@H](Cc1ccc(F)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262086837 544938907 /nfs/dbraw/zinc/93/89/07/544938907.db2.gz GEOQUYOUTRRJGL-QKCSRTOESA-N 1 3 252.333 0.927 10 0 CCAEHO O[C@H]1C[NH2+]C[C@@H]1CNC1CCC2(CCOCC2)CC1 ZINC000262188825 544942349 /nfs/dbraw/zinc/94/23/49/544942349.db2.gz YAQCJEWZHDVNJO-OCCSQVGLSA-N 1 3 268.401 0.896 10 0 CCAEHO O[C@H]1CNC[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000262188825 544942353 /nfs/dbraw/zinc/94/23/53/544942353.db2.gz YAQCJEWZHDVNJO-OCCSQVGLSA-N 1 3 268.401 0.896 10 0 CCAEHO COc1ccc2c(c1)C[C@H](NC[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC000263243199 274127540 /nfs/dbraw/zinc/12/75/40/274127540.db2.gz OYNAOCZRLKMUNV-IIAWOOMASA-N 1 3 276.380 0.722 10 0 CCAEHO OCCN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000384746804 545085478 /nfs/dbraw/zinc/08/54/78/545085478.db2.gz RPJOIMJRTZETOC-QLFBSQMISA-N 1 3 267.417 0.660 10 0 CCAEHO OCCN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000384746804 545085479 /nfs/dbraw/zinc/08/54/79/545085479.db2.gz RPJOIMJRTZETOC-QLFBSQMISA-N 1 3 267.417 0.660 10 0 CCAEHO CC[NH2+][C@@](C)(CN1CCN(CC(C)C)CC1)C(N)=O ZINC000055081381 520136475 /nfs/dbraw/zinc/13/64/75/520136475.db2.gz LTJTZHRGGZQXJE-AWEZNQCLSA-N 1 3 270.421 0.114 10 0 CCAEHO CC[NH+](CC)[C@H]1CCN(CCn2cc(CN)nn2)C1 ZINC000062972230 520873040 /nfs/dbraw/zinc/87/30/40/520873040.db2.gz UABKLPCFRHVONE-ZDUSSCGKSA-N 1 3 266.393 0.153 10 0 CCAEHO COCC[NH2+]CCCN1CCN(CC(C)C)CC1 ZINC000055075845 523936253 /nfs/dbraw/zinc/93/62/53/523936253.db2.gz VZHLZZVPHRFQLX-UHFFFAOYSA-N 1 3 257.422 0.886 10 0 CCAEHO C[C@H]1C[C@@H](C(=O)NC2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000055126700 524767555 /nfs/dbraw/zinc/76/75/55/524767555.db2.gz MVOGNSCHTNOFNL-GVXVVHGQSA-N 1 3 253.390 0.960 10 0 CCAEHO C[C@@H]1[C@@H](C)CCCN1CC(=O)N1CCC[NH2+]CC1 ZINC000050564943 525639407 /nfs/dbraw/zinc/63/94/07/525639407.db2.gz KTOFJMZILQRVED-QWHCGFSZSA-N 1 3 253.390 0.929 10 0 CCAEHO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CN2CCC1CC2 ZINC000050940076 526411180 /nfs/dbraw/zinc/41/11/80/526411180.db2.gz IHOGRJYKWQJRNQ-CQSZACIVSA-N 1 3 265.401 0.977 10 0 CCAEHO [NH3+]CCCCS(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000049568657 527177442 /nfs/dbraw/zinc/17/74/42/527177442.db2.gz KGCQMLFVEAEBFR-RYUDHWBXSA-N 1 3 275.418 0.272 10 0 CCAEHO COCCN1CCN([C@@H]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000675052871 545320532 /nfs/dbraw/zinc/32/05/32/545320532.db2.gz BIRLEOIMWGMBTR-ZIAGYGMSSA-N 1 3 255.406 0.768 10 0 CCAEHO CN(C)CCOc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000263276203 535914710 /nfs/dbraw/zinc/91/47/10/535914710.db2.gz IXZYXQUBXYBVFG-UHFFFAOYSA-N 1 3 277.368 0.463 10 0 CCAEHO CNC1CN(c2cc[nH+]c(NCC(C)(C)O)c2)C1 ZINC000114699124 349836898 /nfs/dbraw/zinc/83/68/98/349836898.db2.gz LDMYQCQRMNCPAV-UHFFFAOYSA-N 1 3 250.346 0.672 10 0 CCAEHO CCN(CC)CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116788810 349872114 /nfs/dbraw/zinc/87/21/14/349872114.db2.gz AGVCJTCJJCQLBI-LBPRGKRZSA-N 1 3 257.378 0.117 10 0 CCAEHO COc1ccc([C@H](C)CNC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263142264 137059353 /nfs/dbraw/zinc/05/93/53/137059353.db2.gz CJWLYTRKNFKZQU-UXIGCNINSA-N 1 3 264.369 0.969 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)CN1Cc1ccccc1 ZINC000262265930 137033772 /nfs/dbraw/zinc/03/37/72/137033772.db2.gz RZGIYODULLFFBF-DOMZBBRYSA-N 1 3 273.380 0.985 10 0 CCAEHO C[C@@H]1CN(CCCCNC(=O)C2C[NH2+]C2)C[C@H](C)O1 ZINC000263299234 137063496 /nfs/dbraw/zinc/06/34/96/137063496.db2.gz NCHBLXDZJZBOEJ-TXEJJXNPSA-N 1 3 269.389 0.211 10 0 CCAEHO O=C(C[C@H]1CCC[NH2+]C1)NCCN1CCCCC1 ZINC000054291746 348547974 /nfs/dbraw/zinc/54/79/74/348547974.db2.gz AOOSKYOLMXYLBF-CYBMUJFWSA-N 1 3 253.390 0.978 10 0 CCAEHO O=C(C[C@@H]1CSCC[NH2+]1)N1CCCN(C2CC2)CC1 ZINC000178756324 351244707 /nfs/dbraw/zinc/24/47/07/351244707.db2.gz RGXXSIVNJZDJJV-GFCCVEGCSA-N 1 3 283.441 0.778 10 0 CCAEHO CC(C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)S(C)(=O)=O ZINC000186487433 351497959 /nfs/dbraw/zinc/49/79/59/351497959.db2.gz DRSPXDQKWBBLFD-NXEZZACHSA-N 1 3 274.386 0.163 10 0 CCAEHO CC[NH+](CC)CCCN1CCO[C@@H](CN(C)C)C1 ZINC000191786647 351772883 /nfs/dbraw/zinc/77/28/83/351772883.db2.gz TWLNBGWPWYPZPY-AWEZNQCLSA-N 1 3 257.422 0.981 10 0 CCAEHO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)O1 ZINC000249058405 352475785 /nfs/dbraw/zinc/47/57/85/352475785.db2.gz ZIHGVJRBIXOXIT-CHZLEKFTSA-N 1 3 295.427 0.837 10 0 CCAEHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250609564 352506472 /nfs/dbraw/zinc/50/64/72/352506472.db2.gz MHDSPIYHSOMUJQ-AGIUHOORSA-N 1 3 253.390 0.962 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)CCN1C ZINC000252199308 352513877 /nfs/dbraw/zinc/51/38/77/352513877.db2.gz VZPWOWWVKDABGC-UPJWGTAASA-N 1 3 253.390 0.975 10 0 CCAEHO COCCN(C)C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000312824590 354211468 /nfs/dbraw/zinc/21/14/68/354211468.db2.gz UBHQBKYPBKUOHC-ILXRZTDVSA-N 1 3 285.432 0.094 10 0 CCAEHO COCCN(C)C[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000312824590 354211471 /nfs/dbraw/zinc/21/14/71/354211471.db2.gz UBHQBKYPBKUOHC-ILXRZTDVSA-N 1 3 285.432 0.094 10 0 CCAEHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333938883 354818180 /nfs/dbraw/zinc/81/81/80/354818180.db2.gz MWEFUTCVLURYAO-LOWDOPEQSA-N 1 3 266.389 0.459 10 0 CCAEHO C[C@]1(C(=O)N[C@@H]2CNCCC2(F)F)CCCC[NH2+]1 ZINC000334655722 354919164 /nfs/dbraw/zinc/91/91/64/354919164.db2.gz SVVZOEDKLBLPLW-MWLCHTKSSA-N 1 3 261.316 0.632 10 0 CCAEHO Cc1noc(CCCN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000567890452 358607033 /nfs/dbraw/zinc/60/70/33/358607033.db2.gz QKCRFSTXKRACOP-SDDRHHMPSA-N 1 3 250.346 0.980 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638107409 374673524 /nfs/dbraw/zinc/67/35/24/374673524.db2.gz FHGUNQHESBVDII-OLZOCXBDSA-N 1 3 251.374 0.977 10 0 CCAEHO COC[C@]1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCCN1 ZINC000638109204 374676690 /nfs/dbraw/zinc/67/66/90/374676690.db2.gz SKSXZGRMBAYPSD-ZFWWWQNUSA-N 1 3 281.400 0.452 10 0 CCAEHO COC[C@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCCN1 ZINC000638109204 374676700 /nfs/dbraw/zinc/67/67/00/374676700.db2.gz SKSXZGRMBAYPSD-ZFWWWQNUSA-N 1 3 281.400 0.452 10 0 CCAEHO CN1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000192797579 284920045 /nfs/dbraw/zinc/92/00/45/284920045.db2.gz AXEPINSCGWIXOK-AWEZNQCLSA-N 1 3 298.431 0.227 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CN1C1CC1 ZINC000246401739 285018474 /nfs/dbraw/zinc/01/84/74/285018474.db2.gz UBQKFNTYNHJVAD-YRGRVCCFSA-N 1 3 280.416 0.957 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089459169 285231401 /nfs/dbraw/zinc/23/14/01/285231401.db2.gz DPVLBWQAXFMRDX-JHJVBQTASA-N 1 3 253.390 0.962 10 0 CCAEHO CCCN(CCN(C)C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649374993 390610792 /nfs/dbraw/zinc/61/07/92/390610792.db2.gz CRBCQWKVSZQSFQ-AWEZNQCLSA-N 1 3 271.405 0.555 10 0 CCAEHO [NH3+][C@@H]1CC[C@@H]2CN(CCOC[C@@H]3CCCO3)C[C@@H]12 ZINC000567270824 390685778 /nfs/dbraw/zinc/68/57/78/390685778.db2.gz PZRFSMPSUOAFOO-XJFOESAGSA-N 1 3 254.374 0.851 10 0 CCAEHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000662620781 414733732 /nfs/dbraw/zinc/73/37/32/414733732.db2.gz BEPWRIDZAKCBKQ-RYUDHWBXSA-N 1 3 253.390 0.975 10 0 CCAEHO CC[C@@](C)(C[NH3+])C(=O)Nc1ccnn1C1CNC1 ZINC000725257953 545880152 /nfs/dbraw/zinc/88/01/52/545880152.db2.gz AQHJHACYQIPLHI-LBPRGKRZSA-N 1 3 251.334 0.341 10 0 CCAEHO CC(C)([NH3+])CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258224 545880709 /nfs/dbraw/zinc/88/07/09/545880709.db2.gz LLTAJPPJIWJGKF-UHFFFAOYSA-N 1 3 251.334 0.483 10 0 CCAEHO CC(C)CN1CCN(C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000055082876 544444288 /nfs/dbraw/zinc/44/42/88/544444288.db2.gz XPPCSJUQOWNLRK-KGLIPLIRSA-N 1 3 255.406 0.766 10 0 CCAEHO O=C(N1CCN2CCC[C@@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389734 544564970 /nfs/dbraw/zinc/56/49/70/544564970.db2.gz XJRVFXDGUXRCDT-PWSUYJOCSA-N 1 3 291.317 0.835 10 0 CCAEHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250356572 544922112 /nfs/dbraw/zinc/92/21/12/544922112.db2.gz OVNZKENLXYJEKF-RWMBFGLXSA-N 1 3 253.390 0.914 10 0 CCAEHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC000175979483 277758784 /nfs/dbraw/zinc/75/87/84/277758784.db2.gz SGGIQISNAMMYAP-LSDHHAIUSA-N 1 3 297.443 0.942 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000252560721 295310863 /nfs/dbraw/zinc/31/08/63/295310863.db2.gz VVXYXFDLVXFOGA-RFQIPJPRSA-N 1 3 281.400 0.483 10 0 CCAEHO CCCC[C@H](N)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000061645382 521202236 /nfs/dbraw/zinc/20/22/36/521202236.db2.gz QJLYALPAORQSIV-ZDUSSCGKSA-N 1 3 270.421 0.210 10 0 CCAEHO C[NH2+]CCS(=O)(=O)NCCCN1CCCC[C@H]1C ZINC000049629957 522012898 /nfs/dbraw/zinc/01/28/98/522012898.db2.gz WWMUFGHRCOJQNK-GFCCVEGCSA-N 1 3 277.434 0.390 10 0 CCAEHO CC(C)[NH2+][C@H](CCN1CCN(C(C)C)CC1)C(N)=O ZINC000062449908 519737987 /nfs/dbraw/zinc/73/79/87/519737987.db2.gz MEJMSAZFLHHWDG-CYBMUJFWSA-N 1 3 270.421 0.254 10 0 CCAEHO CCN1CCC([N@H+](C)CCn2cc(CN)nn2)CC1 ZINC000052544018 521561834 /nfs/dbraw/zinc/56/18/34/521561834.db2.gz NZZPXBOCIOFUNS-UHFFFAOYSA-N 1 3 266.393 0.153 10 0 CCAEHO CCN1CCC([N@@H+](C)CCn2cc(CN)nn2)CC1 ZINC000052544018 521561841 /nfs/dbraw/zinc/56/18/41/521561841.db2.gz NZZPXBOCIOFUNS-UHFFFAOYSA-N 1 3 266.393 0.153 10 0 CCAEHO CC[NH+]1CCC(N(C)CCn2cc(CN)nn2)CC1 ZINC000052544018 521561844 /nfs/dbraw/zinc/56/18/44/521561844.db2.gz NZZPXBOCIOFUNS-UHFFFAOYSA-N 1 3 266.393 0.153 10 0 CCAEHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCN1CCOCC1 ZINC000054627966 521955636 /nfs/dbraw/zinc/95/56/36/521955636.db2.gz SGRHCKOKIDKNMD-GOOCMWNKSA-N 1 3 267.417 0.924 10 0 CCAEHO CNCc1cn(CC[N@H+](C)C2CCN(C)CC2)nn1 ZINC000052419854 522142040 /nfs/dbraw/zinc/14/20/40/522142040.db2.gz LWCUFNXDUUTAAA-UHFFFAOYSA-N 1 3 266.393 0.024 10 0 CCAEHO CNCc1cn(CC[N@@H+](C)C2CCN(C)CC2)nn1 ZINC000052419854 522142047 /nfs/dbraw/zinc/14/20/47/522142047.db2.gz LWCUFNXDUUTAAA-UHFFFAOYSA-N 1 3 266.393 0.024 10 0 CCAEHO CNCc1cn(CCN(C)C2CC[NH+](C)CC2)nn1 ZINC000052419854 522142050 /nfs/dbraw/zinc/14/20/50/522142050.db2.gz LWCUFNXDUUTAAA-UHFFFAOYSA-N 1 3 266.393 0.024 10 0 CCAEHO CN1CCC[C@@H]([N@H+](C)CC[C@H](NC2CC2)C(N)=O)C1 ZINC000062531736 522934588 /nfs/dbraw/zinc/93/45/88/522934588.db2.gz ICBSOEVMMSZYCH-OLZOCXBDSA-N 1 3 268.405 0.008 10 0 CCAEHO CN1CCC[C@@H]([N@@H+](C)CC[C@H](NC2CC2)C(N)=O)C1 ZINC000062531736 522934600 /nfs/dbraw/zinc/93/46/00/522934600.db2.gz ICBSOEVMMSZYCH-OLZOCXBDSA-N 1 3 268.405 0.008 10 0 CCAEHO COCCN(C)CCNC(=O)[C@@H]1[C@H](C)CCC[C@H]1[NH3+] ZINC000061401440 523598630 /nfs/dbraw/zinc/59/86/30/523598630.db2.gz HAUHXUPPVQWKJJ-JHJVBQTASA-N 1 3 271.405 0.444 10 0 CCAEHO CC[C@H](C)N1CCN([C@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000055065867 523959003 /nfs/dbraw/zinc/95/90/03/523959003.db2.gz OPDWEMCZYDXKPZ-IHRRRGAJSA-N 1 3 255.406 0.779 10 0 CCAEHO [NH3+]Cc1ccc(OCCCN2CC[C@H](O)C2)cc1 ZINC000061710197 527256396 /nfs/dbraw/zinc/25/63/96/527256396.db2.gz HYHYIDIWWCRPJR-ZDUSSCGKSA-N 1 3 250.342 0.981 10 0 CCAEHO CCN1CCN(CCC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000261906171 535679895 /nfs/dbraw/zinc/67/98/95/535679895.db2.gz WXKUCBNJOLLFFT-GJZGRUSLSA-N 1 3 296.459 0.600 10 0 CCAEHO CN1CCC(c2nc([C@H]3C[NH2+]CCN3C)no2)CC1 ZINC000263263138 536346349 /nfs/dbraw/zinc/34/63/49/536346349.db2.gz RGENUYFAEPOCME-LLVKDONJSA-N 1 3 265.361 0.455 10 0 CCAEHO OCCC[C@@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310558902 623347968 /nfs/dbraw/zinc/34/79/68/623347968.db2.gz JFEJSPYRTYYCPG-UONOGXRCSA-N 1 3 256.390 0.680 10 0 CCAEHO O=C(NCC1CCN(c2ccncc2)CC1)C1C[NH2+]C1 ZINC000262301827 137036680 /nfs/dbraw/zinc/03/66/80/137036680.db2.gz ZUQJEYCFJPXYES-UHFFFAOYSA-N 1 3 274.368 0.634 10 0 CCAEHO CN(C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000062972143 348673540 /nfs/dbraw/zinc/67/35/40/348673540.db2.gz XIXUCJCUTCEKKV-QWHCGFSZSA-N 1 3 253.390 0.929 10 0 CCAEHO Cc1ncsc1CN(C)CC1(O)CC[NH2+]CC1 ZINC000104433264 186000206 /nfs/dbraw/zinc/00/02/06/186000206.db2.gz VRLXTKNMAQHNCH-UHFFFAOYSA-N 1 3 255.387 0.998 10 0 CCAEHO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)N1CCNCC1 ZINC000129575652 350217216 /nfs/dbraw/zinc/21/72/16/350217216.db2.gz QPNYCSUBOVIFFK-UHFFFAOYSA-N 1 3 284.448 0.374 10 0 CCAEHO CC(C)C[C@H](CN(C)C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129616199 350218718 /nfs/dbraw/zinc/21/87/18/350218718.db2.gz CVAPVJBIMFCUDB-CQSZACIVSA-N 1 3 298.475 0.763 10 0 CCAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000170827838 350865388 /nfs/dbraw/zinc/86/53/88/350865388.db2.gz ZUFLCSXXOGNVHH-CQSZACIVSA-N 1 3 280.416 0.959 10 0 CCAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC1CC1 ZINC000182433320 351362903 /nfs/dbraw/zinc/36/29/03/351362903.db2.gz QBZLSMRXVSLAJW-CHWSQXEVSA-N 1 3 251.374 0.824 10 0 CCAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC1CC1 ZINC000182433320 351362908 /nfs/dbraw/zinc/36/29/08/351362908.db2.gz QBZLSMRXVSLAJW-CHWSQXEVSA-N 1 3 251.374 0.824 10 0 CCAEHO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188690162 351618396 /nfs/dbraw/zinc/61/83/96/351618396.db2.gz SRZREGDESXZWPX-JTQLQIEISA-N 1 3 277.372 0.270 10 0 CCAEHO CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188690162 351618402 /nfs/dbraw/zinc/61/84/02/351618402.db2.gz SRZREGDESXZWPX-JTQLQIEISA-N 1 3 277.372 0.270 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)C1 ZINC000189285815 351664926 /nfs/dbraw/zinc/66/49/26/351664926.db2.gz GEQOSDHXRMKWCD-XQHKEYJVSA-N 1 3 269.389 0.208 10 0 CCAEHO O=C(C[C@H]1CNCCO1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328642937 354244769 /nfs/dbraw/zinc/24/47/69/354244769.db2.gz RFHLHXDOQOHCFQ-YPMHNXCESA-N 1 3 267.373 0.108 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C ZINC000333423789 354758425 /nfs/dbraw/zinc/75/84/25/354758425.db2.gz SXFHTUWEOIXUQK-FRRDWIJNSA-N 1 3 268.405 0.910 10 0 CCAEHO CCN1CCC(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335593896 212305574 /nfs/dbraw/zinc/30/55/74/212305574.db2.gz OKMCTRVDBSRPLJ-YPMHNXCESA-N 1 3 253.390 0.975 10 0 CCAEHO [NH3+]CCN1CCN[C@@H](c2ccc3nnccc3c2)C1 ZINC000616653805 365410135 /nfs/dbraw/zinc/41/01/35/365410135.db2.gz KRWWDDAOWBCGIL-CQSZACIVSA-N 1 3 257.341 0.535 10 0 CCAEHO C[C@H](CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)N(C)C1CC1 ZINC000634767455 372214027 /nfs/dbraw/zinc/21/40/27/372214027.db2.gz WXSSFIASAFCFOD-XUJVJEKNSA-N 1 3 265.401 0.975 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)[C@]2(CC)CC[NH2+]C2)C1 ZINC000062898890 285232331 /nfs/dbraw/zinc/23/23/31/285232331.db2.gz JMYSRIUPPUGGLZ-TZMCWYRMSA-N 1 3 253.390 0.977 10 0 CCAEHO O=C(C[C@H]1CSCCN1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186517622 388838424 /nfs/dbraw/zinc/83/84/24/388838424.db2.gz RQFJIFMMEUVQKJ-NEPJUHHUSA-N 1 3 283.441 0.825 10 0 CCAEHO C[N@H+](C[C@@H](O)CN1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000336811389 389022998 /nfs/dbraw/zinc/02/29/98/389022998.db2.gz MSSVFMFAQKTQII-HUUCEWRRSA-N 1 3 267.417 0.612 10 0 CCAEHO C[N@@H+](C[C@@H](O)CN1CCN2CCCC[C@@H]2C1)C1CC1 ZINC000336811389 389023000 /nfs/dbraw/zinc/02/30/00/389023000.db2.gz MSSVFMFAQKTQII-HUUCEWRRSA-N 1 3 267.417 0.612 10 0 CCAEHO C[N@H+](C[C@@H](O)CN1CCC[C@H]1CCCO)C1CC1 ZINC000310904654 389099731 /nfs/dbraw/zinc/09/97/31/389099731.db2.gz CWOWVMRDUZHDLM-UONOGXRCSA-N 1 3 256.390 0.678 10 0 CCAEHO C[N@@H+](C[C@@H](O)CN1CCC[C@H]1CCCO)C1CC1 ZINC000310904654 389099734 /nfs/dbraw/zinc/09/97/34/389099734.db2.gz CWOWVMRDUZHDLM-UONOGXRCSA-N 1 3 256.390 0.678 10 0 CCAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@H]1C ZINC000263302115 389299934 /nfs/dbraw/zinc/29/99/34/389299934.db2.gz XEIZPPAAVAZDNF-HTOAHKCRSA-N 1 3 284.400 0.524 10 0 CCAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C[C@H]1C ZINC000263302115 389299937 /nfs/dbraw/zinc/29/99/37/389299937.db2.gz XEIZPPAAVAZDNF-HTOAHKCRSA-N 1 3 284.400 0.524 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649277318 390545097 /nfs/dbraw/zinc/54/50/97/390545097.db2.gz UUJUQYWDBGHOEK-GXTWGEPZSA-N 1 3 269.389 0.356 10 0 CCAEHO C[C@H](CN1CCOCC1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566089472 390575416 /nfs/dbraw/zinc/57/54/16/390575416.db2.gz AHKIAWBOCARQMZ-MGPQQGTHSA-N 1 3 255.406 0.685 10 0 CCAEHO C[C@H](CN1CCOCC1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000566089472 390575422 /nfs/dbraw/zinc/57/54/22/390575422.db2.gz AHKIAWBOCARQMZ-MGPQQGTHSA-N 1 3 255.406 0.685 10 0 CCAEHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646140804 390616616 /nfs/dbraw/zinc/61/66/16/390616616.db2.gz XPEGNXVYQXUIOA-RYUDHWBXSA-N 1 3 253.390 0.927 10 0 CCAEHO CC(C)[N@H+](C)C[C@H](O)Cn1cc(C(C)(C)N)nn1 ZINC000380956641 397484355 /nfs/dbraw/zinc/48/43/55/397484355.db2.gz RPFUZYRKQJCWLN-JTQLQIEISA-N 1 3 255.366 0.173 10 0 CCAEHO CC(C)[N@@H+](C)C[C@H](O)Cn1cc(C(C)(C)N)nn1 ZINC000380956641 397484358 /nfs/dbraw/zinc/48/43/58/397484358.db2.gz RPFUZYRKQJCWLN-JTQLQIEISA-N 1 3 255.366 0.173 10 0 CCAEHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333754032 286832005 /nfs/dbraw/zinc/83/20/05/286832005.db2.gz ALQGOQQGPXCHBL-STQMWFEESA-N 1 3 268.405 0.770 10 0 CCAEHO CCCC[C@H](N)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258040 545879677 /nfs/dbraw/zinc/87/96/77/545879677.db2.gz DJZGVGAZSCJHSP-JTQLQIEISA-N 1 3 251.334 0.483 10 0 CCAEHO CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCN(C)CC1 ZINC000054290210 544443328 /nfs/dbraw/zinc/44/33/28/544443328.db2.gz USZPIQIGDIHFMS-GFCCVEGCSA-N 1 3 253.390 0.929 10 0 CCAEHO CN1CCC(NC(=O)OC(C)(C)C)(C(N)=[NH2+])CC1 ZINC000070660207 544452496 /nfs/dbraw/zinc/45/24/96/544452496.db2.gz GLRFZDRVLWLAQV-UHFFFAOYSA-N 1 3 256.350 0.911 10 0 CCAEHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163910277 279129615 /nfs/dbraw/zinc/12/96/15/279129615.db2.gz WRVXJWFXLJWLHX-WCQYABFASA-N 1 3 255.406 0.934 10 0 CCAEHO CCN1CCC[C@@H](NC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000335284713 279293890 /nfs/dbraw/zinc/29/38/90/279293890.db2.gz AMJRTUMVCVDPFW-NWDGAFQWSA-N 1 3 254.378 0.603 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(C)CC1 ZINC000113579317 297093574 /nfs/dbraw/zinc/09/35/74/297093574.db2.gz VQWDWUCOLVBDKB-TZMCWYRMSA-N 1 3 280.416 0.959 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(C)CC1 ZINC000113579317 297093575 /nfs/dbraw/zinc/09/35/75/297093575.db2.gz VQWDWUCOLVBDKB-TZMCWYRMSA-N 1 3 280.416 0.959 10 0 CCAEHO CCCN1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000389523315 545086767 /nfs/dbraw/zinc/08/67/67/545086767.db2.gz AAYSGAJCNBLMHB-QWHCGFSZSA-N 1 3 253.390 0.977 10 0 CCAEHO C[C@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334921717 300321833 /nfs/dbraw/zinc/32/18/33/300321833.db2.gz OMFKNNOVJMKYEC-QWRGUYRKSA-N 1 3 252.362 0.226 10 0 CCAEHO C[C@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000334921717 300321835 /nfs/dbraw/zinc/32/18/35/300321835.db2.gz OMFKNNOVJMKYEC-QWRGUYRKSA-N 1 3 252.362 0.226 10 0 CCAEHO CN(C)CCN1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000061641610 521768839 /nfs/dbraw/zinc/76/88/39/521768839.db2.gz BFVUUUNYEVBEGK-UHFFFAOYSA-N 1 3 263.389 0.224 10 0 CCAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN2CCN(CC)CC2)O1 ZINC000052422488 519952602 /nfs/dbraw/zinc/95/26/02/519952602.db2.gz MWERYMWATXSYJY-KBPBESRZSA-N 1 3 255.406 0.781 10 0 CCAEHO CC[NH2+]C[C@H](C(C)C)N1CCN(CCN(C)C)CC1 ZINC000061655017 519957454 /nfs/dbraw/zinc/95/74/54/519957454.db2.gz PTZNBVYTHWZPCY-OAHLLOKOSA-N 1 3 270.465 0.800 10 0 CCAEHO CC[NH2+]C[C@H]1CC[C@@H](CN2CCN(CC)CC2)O1 ZINC000052422490 519979781 /nfs/dbraw/zinc/97/97/81/519979781.db2.gz MWERYMWATXSYJY-KGLIPLIRSA-N 1 3 255.406 0.781 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1C ZINC000157874118 525258457 /nfs/dbraw/zinc/25/84/57/525258457.db2.gz GQJWKDCJRLGSNV-FVCCEPFGSA-N 1 3 253.390 0.960 10 0 CCAEHO CO[C@@H]1CCC[C@@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000310877923 623588851 /nfs/dbraw/zinc/58/88/51/623588851.db2.gz NCFWJPFDKPMEID-HZSPNIEDSA-N 1 3 256.390 0.990 10 0 CCAEHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091668119 649708848 /nfs/dbraw/zinc/70/88/48/649708848.db2.gz JPEIBLIDBMJXNY-MJBXVCDLSA-N 1 3 281.400 0.356 10 0 CCAEHO CN1CCC[C@H]1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000258328325 137005814 /nfs/dbraw/zinc/00/58/14/137005814.db2.gz DNCCWCYHWFRURD-RYUDHWBXSA-N 1 3 254.378 0.522 10 0 CCAEHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261658292 137014544 /nfs/dbraw/zinc/01/45/44/137014544.db2.gz FOAHFNVIXLDQAS-RQJABVFESA-N 1 3 281.400 0.578 10 0 CCAEHO NC1(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCOCC1 ZINC000261884592 137024260 /nfs/dbraw/zinc/02/42/60/137024260.db2.gz PRTPKOKQNOJTQK-AWEZNQCLSA-N 1 3 295.427 0.875 10 0 CCAEHO NC1(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCOCC1 ZINC000261884592 137024261 /nfs/dbraw/zinc/02/42/61/137024261.db2.gz PRTPKOKQNOJTQK-AWEZNQCLSA-N 1 3 295.427 0.875 10 0 CCAEHO CN1CCN(CCCNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136209653 350418776 /nfs/dbraw/zinc/41/87/76/350418776.db2.gz XHNILSXKWNWITN-HNNXBMFYSA-N 1 3 282.432 0.272 10 0 CCAEHO COCCN(C)C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000312824595 354211103 /nfs/dbraw/zinc/21/11/03/354211103.db2.gz UBHQBKYPBKUOHC-KKUMJFAQSA-N 1 3 285.432 0.094 10 0 CCAEHO COCCN(C)C[C@H](O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000312824595 354211105 /nfs/dbraw/zinc/21/11/05/354211105.db2.gz UBHQBKYPBKUOHC-KKUMJFAQSA-N 1 3 285.432 0.094 10 0 CCAEHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CCN1C ZINC000333423795 354758457 /nfs/dbraw/zinc/75/84/57/354758457.db2.gz SXFHTUWEOIXUQK-JHJVBQTASA-N 1 3 268.405 0.910 10 0 CCAEHO CC[NH+]1CCC(NC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000334451382 354868731 /nfs/dbraw/zinc/86/87/31/354868731.db2.gz VRRIXMBVHABUSF-CQSZACIVSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000334451382 354868734 /nfs/dbraw/zinc/86/87/34/354868734.db2.gz VRRIXMBVHABUSF-CQSZACIVSA-N 1 3 280.416 0.960 10 0 CCAEHO CCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000334451382 354868735 /nfs/dbraw/zinc/86/87/35/354868735.db2.gz VRRIXMBVHABUSF-CQSZACIVSA-N 1 3 280.416 0.960 10 0 CCAEHO C[NH+](C)C[C@@H]1CN(C(=O)c2conc2C(C)(C)N)CCO1 ZINC000565214914 291361431 /nfs/dbraw/zinc/36/14/31/291361431.db2.gz QKWPCENHMCGBAI-SNVBAGLBSA-N 1 3 296.371 0.271 10 0 CCAEHO O[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000628467022 369271182 /nfs/dbraw/zinc/27/11/82/369271182.db2.gz MRYHELKQBVKLCE-GJZGRUSLSA-N 1 3 277.368 0.790 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCN1C ZINC000634768526 372216047 /nfs/dbraw/zinc/21/60/47/372216047.db2.gz NQXMFZYDJYJKNO-OSFYFWSMSA-N 1 3 265.401 0.975 10 0 CCAEHO CCN1CCC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638079028 374637796 /nfs/dbraw/zinc/63/77/96/374637796.db2.gz JQJHAKMPEZTXBM-JSGCOSHPSA-N 1 3 269.389 0.342 10 0 CCAEHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](CC(C)C)CN(C)C)C1 ZINC000638072108 374624196 /nfs/dbraw/zinc/62/41/96/374624196.db2.gz QFQXCFRQBDNKMP-IPYPFGDCSA-N 1 3 285.432 0.846 10 0 CCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000111866931 285022699 /nfs/dbraw/zinc/02/26/99/285022699.db2.gz POSPLXCBYBZDOF-KGLIPLIRSA-N 1 3 298.431 0.443 10 0 CCAEHO CCN1CCC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335593894 285191113 /nfs/dbraw/zinc/19/11/13/285191113.db2.gz OKMCTRVDBSRPLJ-DGCLKSJQSA-N 1 3 253.390 0.975 10 0 CCAEHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000227457041 389150936 /nfs/dbraw/zinc/15/09/36/389150936.db2.gz PLVDYYUQKUDLMA-CYDGBPFRSA-N 1 3 251.374 0.680 10 0 CCAEHO COC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000151350254 389276965 /nfs/dbraw/zinc/27/69/65/389276965.db2.gz HFTHFAARUYHEQW-KGLIPLIRSA-N 1 3 256.390 0.848 10 0 CCAEHO CC(C)N(C)CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176458304 389558537 /nfs/dbraw/zinc/55/85/37/389558537.db2.gz IDEAVYFTWDCTKZ-AWEZNQCLSA-N 1 3 299.459 0.878 10 0 CCAEHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262430606 131220037 /nfs/dbraw/zinc/22/00/37/131220037.db2.gz RPPSXGBUOUKSNK-JSGCOSHPSA-N 1 3 277.368 0.718 10 0 CCAEHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCCC1 ZINC000653347503 412292966 /nfs/dbraw/zinc/29/29/66/412292966.db2.gz DWVHKXPXUIJNHV-HBNTYKKESA-N 1 3 293.333 0.985 10 0 CCAEHO CCOC(=O)[C@@H](CC[N@H+](C)C[C@@H]1CCN(C)C1)NC ZINC000071190964 176067871 /nfs/dbraw/zinc/06/78/71/176067871.db2.gz VKSDMAIJIHJBBQ-CHWSQXEVSA-N 1 3 271.405 0.411 10 0 CCAEHO CCOC(=O)[C@@H](CC[N@@H+](C)C[C@@H]1CCN(C)C1)NC ZINC000071190964 176067873 /nfs/dbraw/zinc/06/78/73/176067873.db2.gz VKSDMAIJIHJBBQ-CHWSQXEVSA-N 1 3 271.405 0.411 10 0 CCAEHO C[NH+](C)CCn1nnc([C@H]2CCCCO2)c1CN ZINC000725269277 545885974 /nfs/dbraw/zinc/88/59/74/545885974.db2.gz OANLNFSXVSBUID-LLVKDONJSA-N 1 3 253.350 0.540 10 0 CCAEHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCN1CCCCC1 ZINC000089460657 544514076 /nfs/dbraw/zinc/51/40/76/544514076.db2.gz FOAKHTCPBLIAJB-QWHCGFSZSA-N 1 3 253.390 0.964 10 0 CCAEHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)N(C)C1 ZINC000333881902 545044079 /nfs/dbraw/zinc/04/40/79/545044079.db2.gz WIFNJDWYQJEZPB-XDQVBPFNSA-N 1 3 298.431 0.487 10 0 CCAEHO CC1(C)CN(C(=O)C[C@@H]2CSCCN2)CC[C@@H]1[NH3+] ZINC000334262121 276122148 /nfs/dbraw/zinc/12/21/48/276122148.db2.gz YYSLPDUAHZIWCP-MNOVXSKESA-N 1 3 271.430 0.667 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)CN(C)C1CC1 ZINC000336811820 288314034 /nfs/dbraw/zinc/31/40/34/288314034.db2.gz OPUWDWQQSVHQNH-SNPRPXQTSA-N 1 3 267.417 0.610 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](O)CN(C)C1CC1 ZINC000336811820 288314037 /nfs/dbraw/zinc/31/40/37/288314037.db2.gz OPUWDWQQSVHQNH-SNPRPXQTSA-N 1 3 267.417 0.610 10 0 CCAEHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000333658654 290152115 /nfs/dbraw/zinc/15/21/15/290152115.db2.gz LEMSJNUYKULFTM-SYQHCUMBSA-N 1 3 280.416 0.992 10 0 CCAEHO C[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000334921716 297102750 /nfs/dbraw/zinc/10/27/50/297102750.db2.gz OMFKNNOVJMKYEC-MNOVXSKESA-N 1 3 252.362 0.226 10 0 CCAEHO C[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000334921716 297102751 /nfs/dbraw/zinc/10/27/51/297102751.db2.gz OMFKNNOVJMKYEC-MNOVXSKESA-N 1 3 252.362 0.226 10 0 CCAEHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000388659914 545086526 /nfs/dbraw/zinc/08/65/26/545086526.db2.gz BDUJMFQRNVNPNZ-LSDHHAIUSA-N 1 3 269.433 0.858 10 0 CCAEHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2CCCC[C@H]2C1 ZINC000388659914 545086527 /nfs/dbraw/zinc/08/65/27/545086527.db2.gz BDUJMFQRNVNPNZ-LSDHHAIUSA-N 1 3 269.433 0.858 10 0 CCAEHO C(CN1CC[C@H]2OCCN[C@H]2C1)C[NH+]1CCCCC1 ZINC000577759390 335398259 /nfs/dbraw/zinc/39/82/59/335398259.db2.gz DPEHQYFYFFHDAV-LSDHHAIUSA-N 1 3 267.417 0.925 10 0 CCAEHO CC(C)[NH2+][C@@H](CCN1CCN(C(C)C)CC1)C(N)=O ZINC000062449906 519734151 /nfs/dbraw/zinc/73/41/51/519734151.db2.gz MEJMSAZFLHHWDG-ZDUSSCGKSA-N 1 3 270.421 0.254 10 0 CCAEHO C[NH2+][C@](C)(CCN1CCN(CC(C)C)CC1)C(N)=O ZINC000055081460 522515531 /nfs/dbraw/zinc/51/55/31/522515531.db2.gz CEGJSPGEGMEMLH-CQSZACIVSA-N 1 3 270.421 0.114 10 0 CCAEHO CCOC(=O)[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C[C@@H]1C ZINC000263302117 535563955 /nfs/dbraw/zinc/56/39/55/535563955.db2.gz XEIZPPAAVAZDNF-QSLWVIQJSA-N 1 3 284.400 0.524 10 0 CCAEHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C[C@@H]1C ZINC000263302117 535563959 /nfs/dbraw/zinc/56/39/59/535563959.db2.gz XEIZPPAAVAZDNF-QSLWVIQJSA-N 1 3 284.400 0.524 10 0 CCAEHO OCCC[C@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310558901 623347689 /nfs/dbraw/zinc/34/76/89/623347689.db2.gz JFEJSPYRTYYCPG-KGLIPLIRSA-N 1 3 256.390 0.680 10 0 CCAEHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000252560719 137003099 /nfs/dbraw/zinc/00/30/99/137003099.db2.gz VVXYXFDLVXFOGA-CRWXNKLISA-N 1 3 281.400 0.483 10 0 CCAEHO O=C(C1C[NH2+]C1)N1CCN(C2CCCCC2)CC1 ZINC000263271719 137062747 /nfs/dbraw/zinc/06/27/47/137062747.db2.gz IEOYRYQZQBZQGE-UHFFFAOYSA-N 1 3 251.374 0.683 10 0 CCAEHO CN(CC1CC[NH+](C)CC1)C(=O)C1(N)CCOCC1 ZINC000127939953 350181935 /nfs/dbraw/zinc/18/19/35/350181935.db2.gz PMSTVNOPQRYRID-UHFFFAOYSA-N 1 3 269.389 0.295 10 0 CCAEHO CCC[C@H](C(=O)NCC[N@H+](C)CCOC)N(C)C ZINC000161958969 350731988 /nfs/dbraw/zinc/73/19/88/350731988.db2.gz WIDORXOHLZMGSK-GFCCVEGCSA-N 1 3 259.394 0.411 10 0 CCAEHO CCC[C@H](C(=O)NCC[N@@H+](C)CCOC)N(C)C ZINC000161958969 350731990 /nfs/dbraw/zinc/73/19/90/350731990.db2.gz WIDORXOHLZMGSK-GFCCVEGCSA-N 1 3 259.394 0.411 10 0 CCAEHO C[N@@H+]1C[C@@H](CO)C2(C1)CCN(C1CCOCC1)CC2 ZINC000169791317 350840281 /nfs/dbraw/zinc/84/02/81/350840281.db2.gz VRIMXQYLMRSQJQ-ZDUSSCGKSA-N 1 3 268.401 0.802 10 0 CCAEHO C[N@H+]1C[C@@H](CO)C2(C1)CCN(C1CCOCC1)CC2 ZINC000169791317 350840285 /nfs/dbraw/zinc/84/02/85/350840285.db2.gz VRIMXQYLMRSQJQ-ZDUSSCGKSA-N 1 3 268.401 0.802 10 0 CCAEHO O=C(NCC[C@H]1CCC[NH2+]C1)c1[nH]nc2c1CNCC2 ZINC000188185455 351578850 /nfs/dbraw/zinc/57/88/50/351578850.db2.gz VDGWXDPSEHJNSI-SNVBAGLBSA-N 1 3 277.372 0.175 10 0 CCAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000333399240 297277897 /nfs/dbraw/zinc/27/78/97/297277897.db2.gz PSKCIDBPVRXEMO-GRYCIOLGSA-N 1 3 266.389 0.520 10 0 CCAEHO CN(C)CCOCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300424754 200897288 /nfs/dbraw/zinc/89/72/88/200897288.db2.gz IXFFUMZHVFGCDN-YNEHKIRRSA-N 1 3 256.390 0.968 10 0 CCAEHO [NH3+]CCN1CCN[C@H](c2ccc3ccnnc3c2)C1 ZINC000616634162 365393388 /nfs/dbraw/zinc/39/33/88/365393388.db2.gz MVPQPPNKGNXYTP-AWEZNQCLSA-N 1 3 257.341 0.535 10 0 CCAEHO [NH3+]CCN1CCNC[C@@H]1c1cnnc2ccccc21 ZINC000616636117 365395515 /nfs/dbraw/zinc/39/55/15/365395515.db2.gz KMQNWXBLYLUBKQ-CQSZACIVSA-N 1 3 257.341 0.535 10 0 CCAEHO CCN1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247570035 285201480 /nfs/dbraw/zinc/20/14/80/285201480.db2.gz WLBONNFTKWHGRQ-KBPBESRZSA-N 1 3 283.416 0.650 10 0 CCAEHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040855285 388858301 /nfs/dbraw/zinc/85/83/01/388858301.db2.gz JCHONGNLCVNPRD-KGLIPLIRSA-N 1 3 277.368 0.087 10 0 CCAEHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000311652279 389104476 /nfs/dbraw/zinc/10/44/76/389104476.db2.gz FASMYXHSYMOIQV-YUTCNCBUSA-N 1 3 265.401 0.927 10 0 CCAEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000343711001 389270610 /nfs/dbraw/zinc/27/06/10/389270610.db2.gz KKFTYOZCCJCTTG-RDBSUJKOSA-N 1 3 255.406 0.373 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCNCC1 ZINC000132903147 411728426 /nfs/dbraw/zinc/72/84/26/411728426.db2.gz XOYBFKTTXAPBGL-ZIAGYGMSSA-N 1 3 294.443 0.413 10 0 CCAEHO CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCNCC1 ZINC000132903147 411728431 /nfs/dbraw/zinc/72/84/31/411728431.db2.gz XOYBFKTTXAPBGL-ZIAGYGMSSA-N 1 3 294.443 0.413 10 0 CCAEHO CCN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105223 412220541 /nfs/dbraw/zinc/22/05/41/412220541.db2.gz LNNNYDXEVPNSLU-HBNTYKKESA-N 1 3 293.333 0.985 10 0 CCAEHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCN1C ZINC000653119398 412230099 /nfs/dbraw/zinc/23/00/99/412230099.db2.gz IDHHYKVGKDNVSK-LNFKQOIKSA-N 1 3 293.333 0.983 10 0 CCAEHO CCC[NH+]1CCC2(CC1)[C@H](N)CS(=O)(=O)N2CC ZINC000725256558 545880783 /nfs/dbraw/zinc/88/07/83/545880783.db2.gz URNOAJOPOLQMNQ-LLVKDONJSA-N 1 3 275.418 0.224 10 0 CCAEHO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCN(C)CC1 ZINC000089449439 544512860 /nfs/dbraw/zinc/51/28/60/544512860.db2.gz AGXDUPRWTIDQDS-WCQYABFASA-N 1 3 253.390 0.914 10 0 CCAEHO O=C(NC[C@H]1CC[NH2+]C1)NC[C@H]1CCCCN1C1CC1 ZINC000333729405 545042512 /nfs/dbraw/zinc/04/25/12/545042512.db2.gz HQDUGFIEVSWYJK-GXTWGEPZSA-N 1 3 280.416 0.912 10 0 CCAEHO CCN1CCN([C@H]2CCN(CC[NH2+]C(C)C)C2)CC1 ZINC000191488413 279372350 /nfs/dbraw/zinc/37/23/50/279372350.db2.gz RKSRWCZDOVOCTR-HNNXBMFYSA-N 1 3 268.449 0.696 10 0 CCAEHO CC(C)[C@@H](N)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000095087956 279869988 /nfs/dbraw/zinc/86/99/88/279869988.db2.gz NYIHPFDDJLVRDJ-GFCCVEGCSA-N 1 3 253.390 0.914 10 0 CCAEHO CCCN1CCN(C[C@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052422011 519858706 /nfs/dbraw/zinc/85/87/06/519858706.db2.gz RBQLVLNPMOHUEG-UONOGXRCSA-N 1 3 255.406 0.781 10 0 CCAEHO CCC[N@H+](CC[C@H](NC(C)C)C(N)=O)CCN(C)C ZINC000062527949 521670595 /nfs/dbraw/zinc/67/05/95/521670595.db2.gz KTCVRMALZPLJIL-ZDUSSCGKSA-N 1 3 272.437 0.502 10 0 CCAEHO CCC[N@@H+](CC[C@H](NC(C)C)C(N)=O)CCN(C)C ZINC000062527949 521670597 /nfs/dbraw/zinc/67/05/97/521670597.db2.gz KTCVRMALZPLJIL-ZDUSSCGKSA-N 1 3 272.437 0.502 10 0 CCAEHO CC(C)CN1CCN(CC[NH2+]CCN(C)C)CC1 ZINC000055075788 519725995 /nfs/dbraw/zinc/72/59/95/519725995.db2.gz VSWVREROXIQQPJ-UHFFFAOYSA-N 1 3 256.438 0.411 10 0 CCAEHO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000049557549 521741639 /nfs/dbraw/zinc/74/16/39/521741639.db2.gz QQBSPJQLSXHTCR-NXEZZACHSA-N 1 3 258.366 0.150 10 0 CCAEHO CN(C)CCN1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000061644455 521764776 /nfs/dbraw/zinc/76/47/76/521764776.db2.gz ZSLVCUPGRKTKJD-CQSZACIVSA-N 1 3 254.422 0.308 10 0 CCAEHO CC[C@@H](C)N1CCN([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000055063659 522128875 /nfs/dbraw/zinc/12/88/75/522128875.db2.gz RTBZPJGLMSAFAS-OCCSQVGLSA-N 1 3 265.405 0.836 10 0 CCAEHO CC[C@@H]([NH2+]C)[C@H](C)N1CCN(CCN(C)C)CC1 ZINC000061643856 522805403 /nfs/dbraw/zinc/80/54/03/522805403.db2.gz VYSDONYXKMJSNO-UONOGXRCSA-N 1 3 256.438 0.552 10 0 CCAEHO CC[C@H](C)N1CCN(C[C@@]2(C[NH3+])CCOC2)CC1 ZINC000055072056 523955237 /nfs/dbraw/zinc/95/52/37/523955237.db2.gz GJAQNJTUDJMEGY-KBPBESRZSA-N 1 3 255.406 0.768 10 0 CCAEHO C[C@@H]([NH3+])[C@H](N1CCN(CCN(C)C)CC1)C(C)(C)C ZINC000061642417 525017204 /nfs/dbraw/zinc/01/72/04/525017204.db2.gz GRTSNEREEKBFJN-KGLIPLIRSA-N 1 3 270.465 0.928 10 0 CCAEHO C[C@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000408095736 300220061 /nfs/dbraw/zinc/22/00/61/300220061.db2.gz PRKPHWJYXGYSDS-YNEHKIRRSA-N 1 3 289.445 0.340 10 0 CCAEHO C[C@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCCN1S(C)(=O)=O ZINC000408095736 300220062 /nfs/dbraw/zinc/22/00/62/300220062.db2.gz PRKPHWJYXGYSDS-YNEHKIRRSA-N 1 3 289.445 0.340 10 0 CCAEHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000111866929 349777338 /nfs/dbraw/zinc/77/73/38/349777338.db2.gz POSPLXCBYBZDOF-ZIAGYGMSSA-N 1 3 298.431 0.443 10 0 CCAEHO C[C@H](N)C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1 ZINC000117140621 349880439 /nfs/dbraw/zinc/88/04/39/349880439.db2.gz ZUIWNEPLSLIYCV-NSHDSACASA-N 1 3 279.388 1.000 10 0 CCAEHO CN(C)CCn1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000261860670 137023022 /nfs/dbraw/zinc/02/30/22/137023022.db2.gz WULQMGQMSLEMSQ-VXGBXAGGSA-N 1 3 279.388 0.758 10 0 CCAEHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263283157 137062494 /nfs/dbraw/zinc/06/24/94/137062494.db2.gz UOJBZBFJTPDHDP-IWCQGFGOSA-N 1 3 289.423 0.992 10 0 CCAEHO CCN1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291532 348548130 /nfs/dbraw/zinc/54/81/30/348548130.db2.gz CPRXTYZRPPWGKS-STQMWFEESA-N 1 3 253.390 0.977 10 0 CCAEHO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC000054309012 348549368 /nfs/dbraw/zinc/54/93/68/348549368.db2.gz HFTSXYXDUAXLAB-VXGBXAGGSA-N 1 3 251.374 0.729 10 0 CCAEHO CCN1CCC(N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000104209637 185932105 /nfs/dbraw/zinc/93/21/05/185932105.db2.gz YYZZWTVLRZVCQQ-DGCLKSJQSA-N 1 3 253.390 0.785 10 0 CCAEHO CCN1CCC[C@@H]1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129588591 350218057 /nfs/dbraw/zinc/21/80/57/350218057.db2.gz NZVCJGFIRNCBTP-CYBMUJFWSA-N 1 3 282.432 0.271 10 0 CCAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC1CC1 ZINC000182433337 351363025 /nfs/dbraw/zinc/36/30/25/351363025.db2.gz QBZLSMRXVSLAJW-QWHCGFSZSA-N 1 3 251.374 0.824 10 0 CCAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC1CC1 ZINC000182433337 351363029 /nfs/dbraw/zinc/36/30/29/351363029.db2.gz QBZLSMRXVSLAJW-QWHCGFSZSA-N 1 3 251.374 0.824 10 0 CCAEHO O=C(N[C@H]1CCCC[NH2+]C1)N1CCN2CCC1CC2 ZINC000335184707 354981096 /nfs/dbraw/zinc/98/10/96/354981096.db2.gz PAJLDPNAOGYZFI-LBPRGKRZSA-N 1 3 266.389 0.618 10 0 CCAEHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404883013 357822088 /nfs/dbraw/zinc/82/20/88/357822088.db2.gz KLHZHWDTNOVHQG-JHJVBQTASA-N 1 3 253.390 0.785 10 0 CCAEHO [NH3+]CCN1CCN[C@H](c2cccc3ccnnc32)C1 ZINC000616634266 365392947 /nfs/dbraw/zinc/39/29/47/365392947.db2.gz PBLMNISCCHKWAK-ZDUSSCGKSA-N 1 3 257.341 0.535 10 0 CCAEHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000638109916 374678099 /nfs/dbraw/zinc/67/80/99/374678099.db2.gz ZOAJIUIMCXPFAC-MBNYWOFBSA-N 1 3 267.373 0.060 10 0 CCAEHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000638115840 374682245 /nfs/dbraw/zinc/68/22/45/374682245.db2.gz JPKFNDHOIYYTRK-OSFYFWSMSA-N 1 3 281.400 0.449 10 0 CCAEHO CN1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171897796 389482034 /nfs/dbraw/zinc/48/20/34/389482034.db2.gz RPKFFSWWABHJRL-CYBMUJFWSA-N 1 3 266.389 0.570 10 0 CCAEHO CN1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171897796 389482036 /nfs/dbraw/zinc/48/20/36/389482036.db2.gz RPKFFSWWABHJRL-CYBMUJFWSA-N 1 3 266.389 0.570 10 0 CCAEHO CN(C)Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000647039669 390763157 /nfs/dbraw/zinc/76/31/57/390763157.db2.gz VUIBLXSZAZEVHT-KGLIPLIRSA-N 1 3 277.368 0.058 10 0 CCAEHO CCN(CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000653115663 412225796 /nfs/dbraw/zinc/22/57/96/412225796.db2.gz WSKPZEWTKCHOPI-GHMZBOCLSA-N 1 3 293.333 0.985 10 0 CCAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCC2(CNC2)O1 ZINC000662264524 414702726 /nfs/dbraw/zinc/70/27/26/414702726.db2.gz SGJRNJPMOYHUGF-MCIONIFRSA-N 1 3 265.401 0.676 10 0 CCAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H]1CCC2(CNC2)O1 ZINC000662264524 414702727 /nfs/dbraw/zinc/70/27/27/414702727.db2.gz SGJRNJPMOYHUGF-MCIONIFRSA-N 1 3 265.401 0.676 10 0 CCAEHO CC(C)(C)N1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000662854830 414846959 /nfs/dbraw/zinc/84/69/59/414846959.db2.gz VGFRELLWKLFPCH-LBPRGKRZSA-N 1 3 283.416 0.731 10 0 CCAEHO CC[C@H]([NH3+])CCC(=O)Nc1ccnn1C1CNC1 ZINC000725258271 545882361 /nfs/dbraw/zinc/88/23/61/545882361.db2.gz MIKRTOXMVREDAJ-VIFPVBQESA-N 1 3 251.334 0.483 10 0 CCAEHO COCCN(C)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461841 544514174 /nfs/dbraw/zinc/51/41/74/544514174.db2.gz KEULMXKAVVUUQI-NEPJUHHUSA-N 1 3 257.378 0.056 10 0 CCAEHO CN(C)C[C@H](NC(=O)COC1(C)C[NH2+]C1)c1ccccc1 ZINC000098061580 544555119 /nfs/dbraw/zinc/55/51/19/544555119.db2.gz BONZJBTWLHDYOR-AWEZNQCLSA-N 1 3 291.395 0.784 10 0 CCAEHO C[C@@H]1CN(CCCCNC(=O)C2C[NH2+]C2)C[C@@H](C)O1 ZINC000263299238 288158712 /nfs/dbraw/zinc/15/87/12/288158712.db2.gz NCHBLXDZJZBOEJ-VXGBXAGGSA-N 1 3 269.389 0.211 10 0 CCAEHO CN(C)C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000161687508 289202185 /nfs/dbraw/zinc/20/21/85/289202185.db2.gz YBXSXQNMWFETMC-UONOGXRCSA-N 1 3 255.406 0.733 10 0 CCAEHO CN(C)C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000161687508 289202186 /nfs/dbraw/zinc/20/21/86/289202186.db2.gz YBXSXQNMWFETMC-UONOGXRCSA-N 1 3 255.406 0.733 10 0 CCAEHO O=C(NC1C[NH2+]C1)N1CCN(C2CCCC2)CC1 ZINC000335385699 303748087 /nfs/dbraw/zinc/74/80/87/303748087.db2.gz FYQCGGJOZDWDDH-UHFFFAOYSA-N 1 3 252.362 0.228 10 0 CCAEHO CC(C)(C)OC(=O)[C@H]1CNC[C@H](N2CC[NH2+]CC2)C1 ZINC000536961311 330384482 /nfs/dbraw/zinc/38/44/82/330384482.db2.gz YZIPTYWWQUNRHL-VXGBXAGGSA-N 1 3 269.389 0.211 10 0 CCAEHO CC[NH2+]CCS(=O)(=O)NCCN(C(C)C)C(C)C ZINC000049632416 519926684 /nfs/dbraw/zinc/92/66/84/519926684.db2.gz GACKUFCPSDGJKT-UHFFFAOYSA-N 1 3 279.450 0.634 10 0 CCAEHO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000049557548 521742291 /nfs/dbraw/zinc/74/22/91/521742291.db2.gz QQBSPJQLSXHTCR-UWVGGRQHSA-N 1 3 258.366 0.150 10 0 CCAEHO [NH3+]CCCCCN1CCCN(C(=O)NC2CC2)CC1 ZINC000054456949 527174636 /nfs/dbraw/zinc/17/46/36/527174636.db2.gz GPLBNSJOUCYWQF-UHFFFAOYSA-N 1 3 268.405 0.995 10 0 CCAEHO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1C1CNCNC1 ZINC000669384841 545206415 /nfs/dbraw/zinc/20/64/15/545206415.db2.gz JFESKUDHTZKLEP-NWDGAFQWSA-N 1 3 284.404 0.256 10 0 CCAEHO