smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ncn(CCN3CCN(c4ccccc4Cl)CC3)c2c(=O)n(C)c1=O ZINC000000593384 558828133 /nfs/dbraw/zinc/82/81/33/558828133.db2.gz NIDVDYQCGWISJZ-UHFFFAOYSA-N 0 0 402.886 0.909 50 0 in-vitro HCAARN Cn1c2nc(Br)n(CC(=O)OCc3ccccc3)c2c(=O)n(C)c1=O ZINC000000623762 557020605 /nfs/dbraw/zinc/02/06/05/557020605.db2.gz HXNYAZQFWIXZSX-UHFFFAOYSA-N 0 0 407.224 0.940 50 0 HCAARN Cc1ccccc1OC[C@@H](O)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C ZINC000000626031 557022606 /nfs/dbraw/zinc/02/26/06/557022606.db2.gz ZPYHCUDKQWADED-NSHDSACASA-N 0 0 423.267 0.945 50 0 HCAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2)n1 ZINC000000626380 557022773 /nfs/dbraw/zinc/02/27/73/557022773.db2.gz VWKXRADRCYQFAQ-CQSZACIVSA-N 0 0 410.434 0.666 50 0 HCAARN CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000000628223 557024317 /nfs/dbraw/zinc/02/43/17/557024317.db2.gz VMBMRBCWMOZNPO-CYBMUJFWSA-N 0 0 417.466 0.718 50 0 HCAARN Cn1c2nc(SC[C@H](O)CO)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000629012 557024659 /nfs/dbraw/zinc/02/46/59/557024659.db2.gz IQBXTMYQIIIAQJ-LLVKDONJSA-N 0 0 410.883 0.581 50 0 HCAARN Cn1c2nc(SC[C@@H](O)CO)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000000629015 557024984 /nfs/dbraw/zinc/02/49/84/557024984.db2.gz IQBXTMYQIIIAQJ-NSHDSACASA-N 0 0 410.883 0.581 50 0 HCAARN Cc1ccccc1OC[C@H](O)Cn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000629369 557025220 /nfs/dbraw/zinc/02/52/20/557025220.db2.gz SXCUOZOGXAOCRW-OAHLLOKOSA-N 0 0 413.478 0.782 50 0 HCAARN Cc1ccccc1OC[C@@H](O)Cn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000629373 557025194 /nfs/dbraw/zinc/02/51/94/557025194.db2.gz SXCUOZOGXAOCRW-HNNXBMFYSA-N 0 0 413.478 0.782 50 0 HCAARN CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000000630002 520360197 /nfs/dbraw/zinc/36/01/97/520360197.db2.gz CNQMAQLZESOZPO-LBPRGKRZSA-N 0 0 403.439 0.314 50 0 HCAARN CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000000630006 520360782 /nfs/dbraw/zinc/36/07/82/520360782.db2.gz CNQMAQLZESOZPO-GFCCVEGCSA-N 0 0 403.439 0.314 50 0 HCAARN COc1ccc(OC[C@@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000630010 557025807 /nfs/dbraw/zinc/02/58/07/557025807.db2.gz YLFRSJFRDQASRA-ZDUSSCGKSA-N 0 0 415.450 0.472 50 0 HCAARN COc1ccc(OC[C@H](O)Cn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000630013 557025890 /nfs/dbraw/zinc/02/58/90/557025890.db2.gz YLFRSJFRDQASRA-CYBMUJFWSA-N 0 0 415.450 0.472 50 0 HCAARN COc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000000630582 568456328 /nfs/dbraw/zinc/45/63/28/568456328.db2.gz XPBWACUSYKFSCI-UHFFFAOYSA-N 0 0 407.448 0.551 50 0 HCAARN Cn1c2nc(N3CCC(C(N)=O)CC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000000631637 557027073 /nfs/dbraw/zinc/02/70/73/557027073.db2.gz SRMCFBQNSLDIRK-UHFFFAOYSA-N 0 0 410.478 0.758 50 0 HCAARN Cn1c2nc(N3CCC(C(N)=O)CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000000631638 557026999 /nfs/dbraw/zinc/02/69/99/557026999.db2.gz ISTLBGZWQXWQDT-UHFFFAOYSA-N 0 0 424.505 0.768 50 0 HCAARN Cn1c2nc(N3CCC(C(N)=O)CC3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000000631643 557027066 /nfs/dbraw/zinc/02/70/66/557027066.db2.gz XFTCDDKENQUXRQ-UHFFFAOYSA-N 0 0 416.869 0.827 50 0 HCAARN Cc1cccc(Cn2c3c(nc2N2CCC(C(N)=O)CC2)n(C)c(=O)n(C)c3=O)c1 ZINC000000631646 557027042 /nfs/dbraw/zinc/02/70/42/557027042.db2.gz AAMRGPNBKGPQJD-UHFFFAOYSA-N 0 0 410.478 0.492 50 0 HCAARN Cn1c2nc(SCC(N)=O)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O ZINC000000632706 557027619 /nfs/dbraw/zinc/02/76/19/557027619.db2.gz HKKJJBUQMXEHOW-UHFFFAOYSA-N 0 0 424.280 0.812 50 0 HCAARN CC(C)OC[C@H](O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000633101 557027918 /nfs/dbraw/zinc/02/79/18/557027918.db2.gz WZLOVXMJSBZHOX-OAHLLOKOSA-N 0 0 401.467 0.846 50 0 HCAARN CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(=O)c2ccc(Cl)cc2)CC1 ZINC000000633313 557028169 /nfs/dbraw/zinc/02/81/69/557028169.db2.gz NQVGQXOKNZAYON-UHFFFAOYSA-N 0 0 416.869 0.711 50 0 HCAARN Cn1c2nc(Br)n(C[C@H](O)COc3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000000633332 557028232 /nfs/dbraw/zinc/02/82/32/557028232.db2.gz LRYNEZKIDAFHPQ-VIFPVBQESA-N 0 0 413.203 0.765 50 0 HCAARN Cn1c2nc(Br)n(C[C@@H](O)COc3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000000633335 557028249 /nfs/dbraw/zinc/02/82/49/557028249.db2.gz LRYNEZKIDAFHPQ-SECBINFHSA-N 0 0 413.203 0.765 50 0 HCAARN CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 ZINC000000633613 557028516 /nfs/dbraw/zinc/02/85/16/557028516.db2.gz JJSFGXVYIIOXLG-UHFFFAOYSA-N 0 0 402.886 0.887 50 0 HCAARN CCOC(=O)[C@@H]1C(c2ccccc2)[C@@H](C(=O)OCC)S(=O)(=O)CS1(=O)=O ZINC000000638489 557030787 /nfs/dbraw/zinc/03/07/87/557030787.db2.gz GWNSGZCPLVAUFS-KBPBESRZSA-N 0 0 404.462 0.434 50 0 HCAARN CCOC(=O)[C@H]1C(c2ccccc2)[C@H](C(=O)OCC)S(=O)(=O)CS1(=O)=O ZINC000000638490 557030825 /nfs/dbraw/zinc/03/08/25/557030825.db2.gz GWNSGZCPLVAUFS-ZIAGYGMSSA-N 0 0 404.462 0.434 50 0 HCAARN CN(c1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1)S(C)(=O)=O ZINC000000640033 557032017 /nfs/dbraw/zinc/03/20/17/557032017.db2.gz BATYZCJRKGBJEJ-UHFFFAOYSA-N 0 0 423.472 0.866 50 0 HCAARN CCOC(=O)C1=C2NCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@]1(C)COC(C)=O ZINC000000641286 557032584 /nfs/dbraw/zinc/03/25/84/557032584.db2.gz OAGUMVHOQFAROO-IIBYNOLFSA-N 0 0 415.446 0.575 50 0 HCAARN CCOC(=O)C1=C2NCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@]1(C)COC(C)=O ZINC000000641288 557032892 /nfs/dbraw/zinc/03/28/92/557032892.db2.gz OAGUMVHOQFAROO-IERDGZPVSA-N 0 0 415.446 0.575 50 0 HCAARN CCOC(=O)C1=C2NCCN2C(=O)[C@H](NC(=O)c2ccccc2)[C@]1(C)COC(C)=O ZINC000000641289 557032807 /nfs/dbraw/zinc/03/28/07/557032807.db2.gz OAGUMVHOQFAROO-HRAATJIYSA-N 0 0 415.446 0.575 50 0 HCAARN CCOC(=O)C1=C2NCCN2C(=O)[C@H](NC(=O)c2ccccc2)[C@@]1(C)COC(C)=O ZINC000000641291 557032866 /nfs/dbraw/zinc/03/28/66/557032866.db2.gz OAGUMVHOQFAROO-KKSFZXQISA-N 0 0 415.446 0.575 50 0 HCAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1 ZINC000000644387 557034374 /nfs/dbraw/zinc/03/43/74/557034374.db2.gz VNBAOIANMHOHND-UHFFFAOYSA-N 0 0 403.526 0.187 50 0 HCAARN O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000000644443 557034615 /nfs/dbraw/zinc/03/46/15/557034615.db2.gz BSXLLBYWDRXMGS-UHFFFAOYSA-N 0 0 418.313 0.784 50 0 HCAARN CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000654182 568459946 /nfs/dbraw/zinc/45/99/46/568459946.db2.gz QOSFVBMYZMRWMF-QGZVFWFLSA-N 0 0 423.516 0.496 50 0 HCAARN COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000654227 557040075 /nfs/dbraw/zinc/04/00/75/557040075.db2.gz PHWDXRGUQPGATC-QGZVFWFLSA-N 0 0 424.500 0.923 50 0 HCAARN COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1N1CCOCC1 ZINC000000669960 132230557 /nfs/dbraw/zinc/23/05/57/132230557.db2.gz GNZRMQVCSNLUBM-UHFFFAOYSA-N 0 0 404.872 0.984 50 0 HCAARN Cn1c2nc(Br)n(CCN3C(=O)c4ccccc4C3=O)c2c(=O)[nH]c1=O ZINC000000677058 557053480 /nfs/dbraw/zinc/05/34/80/557053480.db2.gz ZNOIHELCQQUBNU-UHFFFAOYSA-N 0 0 418.207 0.482 50 0 HCAARN CCN(CC)C(=O)c1ccc(NC(=O)Cn2cnc3c2n(C)c(=O)n(C)c3=O)cc1 ZINC000000679463 557055016 /nfs/dbraw/zinc/05/50/16/557055016.db2.gz YOPPDFFUELWAQG-UHFFFAOYSA-N 0 0 412.450 0.554 50 0 HCAARN Cc1nc(NC(=O)Cn2cnc3c2n(C)c(=O)n(C)c3=O)ccc1Br ZINC000000679637 557055348 /nfs/dbraw/zinc/05/53/48/557055348.db2.gz YRVDQGDYZYEBKM-UHFFFAOYSA-N 0 0 407.228 0.538 50 0 HCAARN COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000000708394 557064862 /nfs/dbraw/zinc/06/48/62/557064862.db2.gz LTNYRMYSSVGRET-UHFFFAOYSA-N 0 0 417.447 0.488 50 0 biogenic HCAARN COc1cccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000717235 568465846 /nfs/dbraw/zinc/46/58/46/568465846.db2.gz OFGZOYKVJCJWEE-UHFFFAOYSA-N 0 0 413.434 0.162 50 0 HCAARN COc1ccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000000718539 568465898 /nfs/dbraw/zinc/46/58/98/568465898.db2.gz FKNHXNMWHPHWDX-UHFFFAOYSA-N 0 0 413.434 0.162 50 0 HCAARN Cc1ccc(-c2nnn(CC(=O)Nc3nn(-c4ccccc4)nc3C(N)=O)n2)cc1 ZINC000000719731 568466081 /nfs/dbraw/zinc/46/60/81/568466081.db2.gz AFNFFNVUKOLWNR-UHFFFAOYSA-N 0 0 403.406 0.967 50 0 HCAARN CCn1c(SCC(=O)NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000720455 568466603 /nfs/dbraw/zinc/46/66/03/568466603.db2.gz QRXYXTDZGCVOJT-UHFFFAOYSA-N 0 0 401.492 0.905 50 0 HCAARN Cc1ccc(S(=O)(=O)N(c2nc(N(C)C)nc(N(C)C)n2)n2cnnc2)cc1 ZINC000000721723 557070955 /nfs/dbraw/zinc/07/09/55/557070955.db2.gz RZBYENQJAHUFNE-UHFFFAOYSA-N 0 0 403.472 0.562 50 0 HCAARN CN(C)c1nc(N(C)C)nc(N(C#N)CN2C(=O)c3ccccc3S2(=O)=O)n1 ZINC000000728260 557074169 /nfs/dbraw/zinc/07/41/69/557074169.db2.gz QWZDNBZALCBTRT-UHFFFAOYSA-N 0 0 402.440 0.093 50 0 HCAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000780367 557078213 /nfs/dbraw/zinc/07/82/13/557078213.db2.gz RQIAIJPJAMXWNM-QXSWTLKVSA-N 0 0 416.455 0.932 50 0 HCAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000780369 557078230 /nfs/dbraw/zinc/07/82/30/557078230.db2.gz RQIAIJPJAMXWNM-OOXMNIKJSA-N 0 0 416.455 0.932 50 0 HCAARN CN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000000780764 557078520 /nfs/dbraw/zinc/07/85/20/557078520.db2.gz KVUYDYPMCGPGOK-UHFFFAOYSA-N 0 0 418.313 0.794 50 0 HCAARN COc1ccc(Cl)cc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O ZINC000000785504 557080043 /nfs/dbraw/zinc/08/00/43/557080043.db2.gz XKKHILDFFGEOTC-UHFFFAOYSA-N 0 0 403.888 0.839 50 0 HCAARN CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Br)cc1 ZINC000000785692 557079975 /nfs/dbraw/zinc/07/99/75/557079975.db2.gz MAIYUYSPLTWYTB-UHFFFAOYSA-N 0 0 418.313 0.939 50 0 HCAARN Cn1c2nc(N(CCO)CCO)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000000796288 569282271 /nfs/dbraw/zinc/28/22/71/569282271.db2.gz LGMCHMNAKDMFEQ-UHFFFAOYSA-N 0 0 423.473 0.426 50 0 HCAARN CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000000796309 569287644 /nfs/dbraw/zinc/28/76/44/569287644.db2.gz FZGQCNVETXDCHX-LBPRGKRZSA-N 0 0 420.491 0.994 50 0 HCAARN CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000000796310 569287686 /nfs/dbraw/zinc/28/76/86/569287686.db2.gz FZGQCNVETXDCHX-GFCCVEGCSA-N 0 0 420.491 0.994 50 0 HCAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC000000797049 568482293 /nfs/dbraw/zinc/48/22/93/568482293.db2.gz SISQXMUFZFEBNM-UHFFFAOYSA-N 0 0 409.508 0.820 50 0 HCAARN CC(C)OC[C@H](O)Cn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000801698 569282256 /nfs/dbraw/zinc/28/22/56/569282256.db2.gz RLQNHYWGURRZCV-OAHLLOKOSA-N 0 0 401.467 0.864 50 0 HCAARN CC(C)OC[C@@H](O)Cn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000801699 569282257 /nfs/dbraw/zinc/28/22/57/569282257.db2.gz RLQNHYWGURRZCV-HNNXBMFYSA-N 0 0 401.467 0.864 50 0 HCAARN Cn1c2nc(N3CCCCC3)n(C[C@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000000801709 568484880 /nfs/dbraw/zinc/48/48/80/568484880.db2.gz PQEMLCAVEMGOLQ-HNNXBMFYSA-N 0 0 413.478 0.864 50 0 HCAARN Cn1c2nc(N3CCCCC3)n(C[C@@H](O)COc3ccccc3)c2c(=O)n(C)c1=O ZINC000000801710 568484912 /nfs/dbraw/zinc/48/49/12/568484912.db2.gz PQEMLCAVEMGOLQ-OAHLLOKOSA-N 0 0 413.478 0.864 50 0 HCAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000000811858 557087842 /nfs/dbraw/zinc/08/78/42/557087842.db2.gz LPJYTWNAEAYTSA-UHFFFAOYSA-N 0 0 409.917 0.223 50 0 HCAARN CC(=O)N1CC2(CC(=O)OC(C)C)CN(C(C)=O)CC(CC(=O)OC(C)C)(C1)C2=O ZINC000000819933 557092056 /nfs/dbraw/zinc/09/20/56/557092056.db2.gz WLSOWIWTQQOCLG-UHFFFAOYSA-N 0 0 424.494 0.936 50 0 biogenic HCAARN CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000000822339 557092810 /nfs/dbraw/zinc/09/28/10/557092810.db2.gz VMBMRBCWMOZNPO-ZDUSSCGKSA-N 0 0 417.466 0.718 50 0 HCAARN Cn1c2nc(N)n(C[C@H](O)COc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000000824774 557093502 /nfs/dbraw/zinc/09/35/02/557093502.db2.gz XJWBARQNQAKNFA-QMMMGPOBSA-N 0 0 400.222 0.752 50 0 biogenic HCAARN Cn1c2nc(N)n(C[C@@H](O)COc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000000824775 557093521 /nfs/dbraw/zinc/09/35/21/557093521.db2.gz XJWBARQNQAKNFA-MRVPVSSYSA-N 0 0 400.222 0.752 50 0 biogenic HCAARN Cn1c2nc(NN)n(C[C@H](O)COc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000000824792 559281528 /nfs/dbraw/zinc/28/15/28/559281528.db2.gz GLMWYOOWDAHZKN-QMMMGPOBSA-N 0 0 415.237 0.456 50 0 HCAARN Cn1c2nc(NN)n(C[C@@H](O)COc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000000824793 559281565 /nfs/dbraw/zinc/28/15/65/559281565.db2.gz GLMWYOOWDAHZKN-MRVPVSSYSA-N 0 0 415.237 0.456 50 0 HCAARN C[C@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000000839373 568515069 /nfs/dbraw/zinc/51/50/69/568515069.db2.gz ZARUYEPTEWJLFB-RYUDHWBXSA-N 0 0 406.464 0.336 50 0 HCAARN C[C@@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000000839375 568515070 /nfs/dbraw/zinc/51/50/70/568515070.db2.gz ZARUYEPTEWJLFB-NEPJUHHUSA-N 0 0 406.464 0.336 50 0 HCAARN C[C@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000000839377 568515055 /nfs/dbraw/zinc/51/50/55/568515055.db2.gz ZARUYEPTEWJLFB-NWDGAFQWSA-N 0 0 406.464 0.336 50 0 HCAARN C[C@@H](O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000000839381 568515050 /nfs/dbraw/zinc/51/50/50/568515050.db2.gz ZARUYEPTEWJLFB-VXGBXAGGSA-N 0 0 406.464 0.336 50 0 HCAARN CC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000000839481 557097192 /nfs/dbraw/zinc/09/71/92/557097192.db2.gz VHJJDPISAWXVTL-UHFFFAOYSA-N 0 0 416.869 0.794 50 0 HCAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccccc2)n1 ZINC000000842269 557098005 /nfs/dbraw/zinc/09/80/05/557098005.db2.gz VWKXRADRCYQFAQ-AWEZNQCLSA-N 0 0 410.434 0.666 50 0 HCAARN Cc1ccccc1OC[C@H](O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850097 568712103 /nfs/dbraw/zinc/71/21/03/568712103.db2.gz HLZOPJRTGZHNFC-SNVBAGLBSA-N 0 0 409.240 0.934 50 0 HCAARN Cc1ccccc1OC[C@@H](O)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850098 568712062 /nfs/dbraw/zinc/71/20/62/568712062.db2.gz HLZOPJRTGZHNFC-JTQLQIEISA-N 0 0 409.240 0.934 50 0 HCAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2C)n1 ZINC000000850879 568712009 /nfs/dbraw/zinc/71/20/09/568712009.db2.gz XRSLVEMWRQXBJH-OAHLLOKOSA-N 0 0 424.461 0.974 50 0 biogenic HCAARN Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccccc2C)n1 ZINC000000850880 568712156 /nfs/dbraw/zinc/71/21/56/568712156.db2.gz XRSLVEMWRQXBJH-HNNXBMFYSA-N 0 0 424.461 0.974 50 0 biogenic HCAARN Cc1ccccc1OC[C@H](O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850885 568712182 /nfs/dbraw/zinc/71/21/82/568712182.db2.gz BIIAKLNSAZCVIN-CQSZACIVSA-N 0 0 415.450 0.008 50 0 HCAARN Cc1ccccc1OC[C@@H](O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850886 568712167 /nfs/dbraw/zinc/71/21/67/568712167.db2.gz BIIAKLNSAZCVIN-AWEZNQCLSA-N 0 0 415.450 0.008 50 0 HCAARN Cc1ccccc1OC[C@H](O)Cn1c(SC[C@@H](C)O)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850889 568712005 /nfs/dbraw/zinc/71/20/05/568712005.db2.gz PXTGTTNAKCCANK-CHWSQXEVSA-N 0 0 420.491 0.645 50 0 HCAARN Cc1ccccc1OC[C@@H](O)Cn1c(SC[C@@H](C)O)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850890 568712087 /nfs/dbraw/zinc/71/20/87/568712087.db2.gz PXTGTTNAKCCANK-OLZOCXBDSA-N 0 0 420.491 0.645 50 0 HCAARN Cc1ccccc1OC[C@H](O)Cn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850891 568712058 /nfs/dbraw/zinc/71/20/58/568712058.db2.gz PXTGTTNAKCCANK-QWHCGFSZSA-N 0 0 420.491 0.645 50 0 HCAARN Cc1ccccc1OC[C@@H](O)Cn1c(SC[C@H](C)O)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850892 568712127 /nfs/dbraw/zinc/71/21/27/568712127.db2.gz PXTGTTNAKCCANK-STQMWFEESA-N 0 0 420.491 0.645 50 0 HCAARN COc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)cc1Cl ZINC000000851768 557101351 /nfs/dbraw/zinc/10/13/51/557101351.db2.gz QGTMNAIMSSWQRN-UHFFFAOYSA-N 0 0 407.814 0.743 50 0 biogenic HCAARN Cn1c2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c(=O)n(C)c1=O ZINC000000851782 527125150 /nfs/dbraw/zinc/12/51/50/527125150.db2.gz GJFFNQLXMNOKFK-UHFFFAOYSA-N 0 0 416.869 0.436 50 0 biogenic HCAARN Cn1c2ncn(CC(=O)Nc3ccc(Br)cc3F)c2c(=O)n(C)c1=O ZINC000000851796 557101333 /nfs/dbraw/zinc/10/13/33/557101333.db2.gz ZJYNXKMDMQIDLC-UHFFFAOYSA-N 0 0 410.203 0.974 50 0 biogenic HCAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCOCCOCCOCC2)cc1 ZINC000000859401 568713375 /nfs/dbraw/zinc/71/33/75/568713375.db2.gz LZMBRXAGLJQHMD-INIZCTEOSA-N 0 0 400.497 0.554 50 0 HCAARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCOCCOCCOCC2)cc1 ZINC000000859403 568713380 /nfs/dbraw/zinc/71/33/80/568713380.db2.gz LZMBRXAGLJQHMD-MRXNPFEDSA-N 0 0 400.497 0.554 50 0 HCAARN CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 ZINC000000859408 568713402 /nfs/dbraw/zinc/71/34/02/568713402.db2.gz WBOPWTUVKVPFNL-SFHVURJKSA-N 0 0 414.524 0.944 50 0 HCAARN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCOCCOCCOCC1 ZINC000000859409 568713422 /nfs/dbraw/zinc/71/34/22/568713422.db2.gz WBOPWTUVKVPFNL-GOSISDBHSA-N 0 0 414.524 0.944 50 0 HCAARN CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C ZINC000000863231 557104911 /nfs/dbraw/zinc/10/49/11/557104911.db2.gz NBLCOLRLFMZHKA-CYBMUJFWSA-N 0 0 418.475 0.853 50 0 HCAARN CC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C ZINC000000863232 557104851 /nfs/dbraw/zinc/10/48/51/557104851.db2.gz NBLCOLRLFMZHKA-ZDUSSCGKSA-N 0 0 418.475 0.853 50 0 HCAARN CC(C)OC[C@@H](O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000863239 557104828 /nfs/dbraw/zinc/10/48/28/557104828.db2.gz WZLOVXMJSBZHOX-HNNXBMFYSA-N 0 0 401.467 0.846 50 0 HCAARN Cn1cnnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ZINC000000882630 558774498 /nfs/dbraw/zinc/77/44/98/558774498.db2.gz KNQNOFLMGVYLDS-UHFFFAOYSA-N 0 0 401.427 0.901 50 0 biogenic HCAARN O=C(Cn1cc(F)c(=O)n(CC(=O)NCc2ccccc2)c1=O)NCc1ccccc1 ZINC000000891025 558774505 /nfs/dbraw/zinc/77/45/05/558774505.db2.gz IEMZMLANSIKDPU-UHFFFAOYSA-N 0 0 424.432 0.782 50 0 HCAARN Cc1cccc(N2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1C ZINC000000892825 524548758 /nfs/dbraw/zinc/54/87/58/524548758.db2.gz CRFLQCCJODMIHS-UHFFFAOYSA-N 0 0 410.478 0.399 50 0 biogenic HCAARN O=c1c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2occ1-c1ccccc1 ZINC000000901919 568749562 /nfs/dbraw/zinc/74/95/62/568749562.db2.gz CHVBPFQVSIWBOU-RQUKQETFSA-N 0 0 400.383 0.639 50 0 HCAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000000915959 524560643 /nfs/dbraw/zinc/56/06/43/524560643.db2.gz LVPPXDLAPYHTIG-UHFFFAOYSA-N 0 0 411.505 0.854 50 0 HCAARN Cc1nn(C[C@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1Br ZINC000000952613 557125263 /nfs/dbraw/zinc/12/52/63/557125263.db2.gz CDIFGFQBMDMGHW-SNVBAGLBSA-N 0 0 411.260 0.071 50 0 HCAARN Cc1nn(C[C@@H](O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1Br ZINC000000952614 557125245 /nfs/dbraw/zinc/12/52/45/557125245.db2.gz CDIFGFQBMDMGHW-JTQLQIEISA-N 0 0 411.260 0.071 50 0 HCAARN NC(=O)c1nn(-c2ccccc2)nc1NC(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000000973943 568759393 /nfs/dbraw/zinc/75/93/93/568759393.db2.gz NZJBSRJSAZXKPR-UHFFFAOYSA-N 0 0 407.369 0.798 50 0 HCAARN CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000978963 524088653 /nfs/dbraw/zinc/08/86/53/524088653.db2.gz QOSFVBMYZMRWMF-KRWDZBQOSA-N 0 0 423.516 0.496 50 0 HCAARN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000978973 557129915 /nfs/dbraw/zinc/12/99/15/557129915.db2.gz PHWDXRGUQPGATC-KRWDZBQOSA-N 0 0 424.500 0.923 50 0 HCAARN CCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@]12c1ccccc1NC2=O ZINC000000989370 557133301 /nfs/dbraw/zinc/13/33/01/557133301.db2.gz SQSWYEVKAQOAIG-HXUWFJFHSA-N 0 0 416.386 0.630 50 0 biogenic HCAARN CCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@@]12c1ccccc1NC2=O ZINC000000989371 557133401 /nfs/dbraw/zinc/13/34/01/557133401.db2.gz SQSWYEVKAQOAIG-FQEVSTJZSA-N 0 0 416.386 0.630 50 0 biogenic HCAARN COc1cc(N2C(=O)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c(OC)cc1Cl ZINC000001004231 568762399 /nfs/dbraw/zinc/76/23/99/568762399.db2.gz VGLMDGULAYJMLN-UHFFFAOYSA-N 0 0 405.798 0.783 50 0 HCAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000001034149 557149091 /nfs/dbraw/zinc/14/90/91/557149091.db2.gz LMEPVZAQPCUYOS-MRXNPFEDSA-N 0 0 407.448 0.964 50 0 HCAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000001034150 557148998 /nfs/dbraw/zinc/14/89/98/557148998.db2.gz LMEPVZAQPCUYOS-INIZCTEOSA-N 0 0 407.448 0.964 50 0 HCAARN O=S(=O)(NCCc1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001034818 557149653 /nfs/dbraw/zinc/14/96/53/557149653.db2.gz IJTBPUSASZQEGX-UHFFFAOYSA-N 0 0 411.505 0.624 50 0 HCAARN COC(=O)[C@@H]1C(c2ccc(Cl)cc2)[C@@H](C(=O)OC)S(=O)(=O)CS1(=O)=O ZINC000001036862 557151157 /nfs/dbraw/zinc/15/11/57/557151157.db2.gz TYXVKAYTMAVUHG-RYUDHWBXSA-N 0 0 410.853 0.308 50 0 HCAARN COC(=O)[C@H]1C(c2ccc(Cl)cc2)[C@H](C(=O)OC)S(=O)(=O)CS1(=O)=O ZINC000001036863 557151087 /nfs/dbraw/zinc/15/10/87/557151087.db2.gz TYXVKAYTMAVUHG-VXGBXAGGSA-N 0 0 410.853 0.308 50 0 HCAARN O=S(=O)(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)s1)N1CCOCC1 ZINC000001038528 557152083 /nfs/dbraw/zinc/15/20/83/557152083.db2.gz BFJUTGOKEJFDCX-UHFFFAOYSA-N 0 0 416.930 0.443 50 0 HCAARN Cn1c(=O)c2c(no[n+]2[O-])c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21 ZINC000001044037 557155184 /nfs/dbraw/zinc/15/51/84/557155184.db2.gz GVJRMFHCEDUNRJ-UHFFFAOYSA-N 0 0 403.354 0.615 50 0 HCAARN Cn1c2ncn(C[C@H](O)COc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000001044408 557155537 /nfs/dbraw/zinc/15/55/37/557155537.db2.gz HLCBWLBFBXGQFS-NSHDSACASA-N 0 0 409.240 0.636 50 0 HCAARN Cn1c2ncn(C[C@@H](O)COc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000001044409 557155446 /nfs/dbraw/zinc/15/54/46/557155446.db2.gz HLCBWLBFBXGQFS-LLVKDONJSA-N 0 0 409.240 0.636 50 0 HCAARN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)N1CCOCC1 ZINC000001050946 557159762 /nfs/dbraw/zinc/15/97/62/557159762.db2.gz KKYUNPKPDOBZJC-UHFFFAOYSA-N 0 0 414.495 0.951 50 0 HCAARN CCOC(=O)N1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1 ZINC000001062655 557164623 /nfs/dbraw/zinc/16/46/23/557164623.db2.gz RIVZARSITNYDMN-UHFFFAOYSA-N 0 0 413.452 0.482 50 0 HCAARN Cn1c2nc(N3CCOCC3)n(CC(=O)c3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000001065544 568766488 /nfs/dbraw/zinc/76/64/88/568766488.db2.gz QAUOWPSEKUPYQP-UHFFFAOYSA-N 0 0 417.853 0.807 50 0 HCAARN COc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC ZINC000001071582 557169706 /nfs/dbraw/zinc/16/97/06/557169706.db2.gz QDPNSKFWOCLTMC-UHFFFAOYSA-N 0 0 403.395 0.098 50 0 HCAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccccc1OCC(=O)N1CCOCC1 ZINC000001082432 568768063 /nfs/dbraw/zinc/76/80/63/568768063.db2.gz OLRDBDCUWXXKMH-QGZVFWFLSA-N 0 0 405.476 0.890 50 0 HCAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccccc1OCC(=O)N1CCOCC1 ZINC000001082433 568768076 /nfs/dbraw/zinc/76/80/76/568768076.db2.gz OLRDBDCUWXXKMH-KRWDZBQOSA-N 0 0 405.476 0.890 50 0 HCAARN CCOC(=O)c1nnn(-c2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1C ZINC000001097271 521606511 /nfs/dbraw/zinc/60/65/11/521606511.db2.gz DQNZTYHAKQUPKY-UHFFFAOYSA-N 0 0 402.459 0.764 50 0 HCAARN COC(=O)C[C@@]1(O)c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1 ZINC000001097812 557178456 /nfs/dbraw/zinc/17/84/56/557178456.db2.gz RRJPAQHRZNGNGS-LJQANCHMSA-N 0 0 404.444 0.741 50 0 HCAARN COC(=O)C[C@]1(O)c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1 ZINC000001097813 557178480 /nfs/dbraw/zinc/17/84/80/557178480.db2.gz RRJPAQHRZNGNGS-IBGZPJMESA-N 0 0 404.444 0.741 50 0 HCAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)CC1 ZINC000001110410 557182940 /nfs/dbraw/zinc/18/29/40/557182940.db2.gz KJSDIFCRJWRVBM-UHFFFAOYSA-N 0 0 419.887 0.975 50 0 HCAARN CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(I)cc1 ZINC000001115738 557186862 /nfs/dbraw/zinc/18/68/62/557186862.db2.gz OMAFXVNRIRZJPO-UHFFFAOYSA-N 0 0 424.260 0.916 50 0 HCAARN COC(=O)COc1ccc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1OC ZINC000001124477 557194008 /nfs/dbraw/zinc/19/40/08/557194008.db2.gz ZCFBREFLERGNNT-GHXNOFRVSA-N 0 0 408.432 0.820 50 0 HCAARN Cn1c2ncn(CC(=O)Nc3nnc(Cc4ccccc4)s3)c2c(=O)n(C)c1=O ZINC000001130885 557198212 /nfs/dbraw/zinc/19/82/12/557198212.db2.gz NFVDAPRJXLKSKO-UHFFFAOYSA-N 0 0 411.447 0.515 50 0 HCAARN O=S(=O)(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1 ZINC000001154409 557212890 /nfs/dbraw/zinc/21/28/90/557212890.db2.gz JIORUMJFSNDNRC-UHFFFAOYSA-N 0 0 410.901 0.382 50 0 HCAARN O=C(c1ccc2c(c1)C(=O)N(CCO)C2=O)c1ccc2c(c1)C(=O)N(CCO)C2=O ZINC000001233574 557250069 /nfs/dbraw/zinc/25/00/69/557250069.db2.gz JHHVEDGXIHGGTC-UHFFFAOYSA-N 0 0 408.366 0.094 50 0 HCAARN 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/nfs/dbraw/zinc/05/62/12/569056212.db2.gz BRFAWDFSJOAVLM-OIRVYTLQSA-N 0 0 413.452 0.594 50 0 biogenic HCAARN CC1(C)O[C@H]2O[C@@H](C(=O)NCC(=O)Nc3nccs3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000001821969 568837584 /nfs/dbraw/zinc/83/75/84/568837584.db2.gz BRFAWDFSJOAVLM-CYRBOEJBSA-N 0 0 413.452 0.594 50 0 biogenic HCAARN COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000001839906 569282501 /nfs/dbraw/zinc/28/25/01/569282501.db2.gz YQLLWXQDKNSTFL-ZDUSSCGKSA-N 0 0 403.439 0.312 50 0 HCAARN COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000001839907 569282490 /nfs/dbraw/zinc/28/24/90/569282490.db2.gz YQLLWXQDKNSTFL-CYBMUJFWSA-N 0 0 403.439 0.312 50 0 HCAARN COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C ZINC000001840584 569282500 /nfs/dbraw/zinc/28/25/00/569282500.db2.gz VHAYYWDVAURVRW-CQSZACIVSA-N 0 0 417.466 0.620 50 0 HCAARN COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C ZINC000001840585 569282489 /nfs/dbraw/zinc/28/24/89/569282489.db2.gz VHAYYWDVAURVRW-AWEZNQCLSA-N 0 0 417.466 0.620 50 0 HCAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)C1CC1 ZINC000001875011 568839024 /nfs/dbraw/zinc/83/90/24/568839024.db2.gz CLSCTHJWKKASLA-KRWDZBQOSA-N 0 0 408.336 0.821 50 0 HCAARN O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)C1CC1 ZINC000001875012 569056880 /nfs/dbraw/zinc/05/68/80/569056880.db2.gz CLSCTHJWKKASLA-QGZVFWFLSA-N 0 0 408.336 0.821 50 0 HCAARN COCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002062054 557304252 /nfs/dbraw/zinc/30/42/52/557304252.db2.gz IKOKZITWPGSQRG-UHFFFAOYSA-N 0 0 404.448 0.905 50 0 HCAARN CCOC(=O)C(NC(=O)[C@H]1[C@H](C)N1S(=O)(=O)c1ccc(C)cc1)C(=O)OCC ZINC000002077685 557308525 /nfs/dbraw/zinc/30/85/25/557308525.db2.gz JUHMAJDJJVWEOZ-CAIAHIEYSA-N 0 0 412.464 0.367 50 0 HCAARN NC(=[NH2+])NCCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002105287 569282943 /nfs/dbraw/zinc/28/29/43/569282943.db2.gz QFAOEKMTYJBWGS-HNNXBMFYSA-N 0 0 416.434 0.493 50 0 biogenic 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/nfs/dbraw/zinc/12/16/91/569121691.db2.gz DRLGVJDRAZRSTM-OXQOHEQNSA-N 0 0 415.471 0.910 50 0 HCAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O ZINC000006785459 569121663 /nfs/dbraw/zinc/12/16/63/569121663.db2.gz DRLGVJDRAZRSTM-JXFKEZNVSA-N 0 0 415.471 0.910 50 0 HCAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O ZINC000006785465 569121725 /nfs/dbraw/zinc/12/17/25/569121725.db2.gz DRLGVJDRAZRSTM-OXJNMPFZSA-N 0 0 415.471 0.910 50 0 HCAARN COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000006786833 569121963 /nfs/dbraw/zinc/12/19/63/569121963.db2.gz XAZLYOYHGMANOU-UHFFFAOYSA-N 0 0 411.480 0.054 50 0 HCAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000006787761 569122216 /nfs/dbraw/zinc/12/22/16/569122216.db2.gz DSOUJYDSMZUJIN-CYBMUJFWSA-N 0 0 414.480 0.478 50 0 HCAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000006787762 569122214 /nfs/dbraw/zinc/12/22/14/569122214.db2.gz DSOUJYDSMZUJIN-ZDUSSCGKSA-N 0 0 414.480 0.478 50 0 HCAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ncccn2)CC1 ZINC000006788348 569122462 /nfs/dbraw/zinc/12/24/62/569122462.db2.gz IUPLSIPHYAZUOF-UHFFFAOYSA-N 0 0 417.491 0.460 50 0 HCAARN COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCC(C(N)=O)CC3)=C2)cc1 ZINC000006800334 557722018 /nfs/dbraw/zinc/72/20/18/557722018.db2.gz HPDVQRPYVRGWPH-UHFFFAOYSA-N 0 0 406.464 0.282 50 0 HCAARN Cn1c2ccc(S(=O)(=O)CCC(=O)NCc3ccccn3)cc2n(C)c(=O)c1=O ZINC000006803533 569129965 /nfs/dbraw/zinc/12/99/65/569129965.db2.gz RLOYBDYRVOQWBU-UHFFFAOYSA-N 0 0 416.459 0.112 50 0 HCAARN Cc1cccnc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000006803536 569129991 /nfs/dbraw/zinc/12/99/91/569129991.db2.gz MTKXAYNFWIIZBI-UHFFFAOYSA-N 0 0 416.459 0.743 50 0 HCAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(N)=O)C1 ZINC000006805058 557722356 /nfs/dbraw/zinc/72/23/56/557722356.db2.gz ARVJVFWQGOUOIB-UHFFFAOYSA-N 0 0 416.434 0.743 50 0 HCAARN CC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(N)=O)C1 ZINC000006805059 557722366 /nfs/dbraw/zinc/72/23/66/557722366.db2.gz TZGJPEQOXUOSED-UHFFFAOYSA-N 0 0 412.471 0.663 50 0 HCAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(C)cc2)c(=O)n3CC(N)=O)C1 ZINC000006805067 557722308 /nfs/dbraw/zinc/72/23/08/557722308.db2.gz NWRFUHHQDNMQGP-UHFFFAOYSA-N 0 0 412.471 0.912 50 0 HCAARN C[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)C1 ZINC000006808584 569133329 /nfs/dbraw/zinc/13/33/29/569133329.db2.gz ZBMCBXOYXGXTDI-CYBMUJFWSA-N 0 0 407.492 0.660 50 0 HCAARN C[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)C1 ZINC000006808585 569133277 /nfs/dbraw/zinc/13/32/77/569133277.db2.gz ZBMCBXOYXGXTDI-ZDUSSCGKSA-N 0 0 407.492 0.660 50 0 HCAARN C[C@@H]1C[C@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)C1 ZINC000006808594 569133309 /nfs/dbraw/zinc/13/33/09/569133309.db2.gz JLNWTIGXTSOCHB-OKILXGFUSA-N 0 0 421.519 0.906 50 0 HCAARN C[C@H]1C[C@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)C1 ZINC000006808595 569133295 /nfs/dbraw/zinc/13/32/95/569133295.db2.gz JLNWTIGXTSOCHB-KBPBESRZSA-N 0 0 421.519 0.906 50 0 HCAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)C1 ZINC000006808596 569133275 /nfs/dbraw/zinc/13/32/75/569133275.db2.gz JLNWTIGXTSOCHB-ZIAGYGMSSA-N 0 0 421.519 0.906 50 0 HCAARN Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)o1 ZINC000006808605 569133250 /nfs/dbraw/zinc/13/32/50/569133250.db2.gz ZXDRRSQIKALADY-UHFFFAOYSA-N 0 0 419.459 0.619 50 0 HCAARN Cn1c2ccc(S(=O)(=O)CCC(=O)NCc3ccco3)cc2n(C)c(=O)c1=O ZINC000006808607 569133252 /nfs/dbraw/zinc/13/32/52/569133252.db2.gz KCGSGLDZXCLQNW-UHFFFAOYSA-N 0 0 405.432 0.310 50 0 HCAARN Cn1c2ccc(S(=O)(=O)CCC(=O)NCc3ccccc3)cc2n(C)c(=O)c1=O ZINC000006808608 569133227 /nfs/dbraw/zinc/13/32/27/569133227.db2.gz ANOCYSQYKWEGGT-UHFFFAOYSA-N 0 0 415.471 0.717 50 0 HCAARN CN(Cc1ccco1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000006808612 569133274 /nfs/dbraw/zinc/13/32/74/569133274.db2.gz ZHZRZOUVRHPHSH-UHFFFAOYSA-N 0 0 419.459 0.653 50 0 HCAARN Cn1c2nnc(CCCC(=O)N3CCC(C(N)=O)CC3)n2c2ccsc2c1=O ZINC000006816979 569137664 /nfs/dbraw/zinc/13/76/64/569137664.db2.gz AGBNADPTKVBSNN-UHFFFAOYSA-N 0 0 402.480 0.689 50 0 HCAARN CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000006819012 569139082 /nfs/dbraw/zinc/13/90/82/569139082.db2.gz UNRRSROAGSILQR-UHFFFAOYSA-N 0 0 413.496 0.461 50 0 HCAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000006819025 569139147 /nfs/dbraw/zinc/13/91/47/569139147.db2.gz JHKIAXQFMPUDTC-UHFFFAOYSA-N 0 0 407.448 0.705 50 0 HCAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000006819081 569139111 /nfs/dbraw/zinc/13/91/11/569139111.db2.gz NWISMRURYRZWTM-CQSZACIVSA-N 0 0 413.496 0.461 50 0 HCAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 ZINC000006819083 569139128 /nfs/dbraw/zinc/13/91/28/569139128.db2.gz NWISMRURYRZWTM-AWEZNQCLSA-N 0 0 413.496 0.461 50 0 HCAARN Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N3NC=C[C@@]3(O)C(F)(F)F)C2)cn1 ZINC000006828222 569141986 /nfs/dbraw/zinc/14/19/86/569141986.db2.gz VDRKFMBVDJRXKB-GXFFZTMASA-N 0 0 409.390 0.290 50 0 HCAARN Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N3NC=C[C@@]3(O)C(F)(F)F)C2)cn1 ZINC000006828224 569141686 /nfs/dbraw/zinc/14/16/86/569141686.db2.gz VDRKFMBVDJRXKB-ZWNOBZJWSA-N 0 0 409.390 0.290 50 0 HCAARN CCCCn1c(N)c(N(CCOC)C(=O)CN2CCc3ccccc32)c(=O)[nH]c1=O ZINC000006830961 568460418 /nfs/dbraw/zinc/46/04/18/568460418.db2.gz OBHNPHLUVZTYDX-UHFFFAOYSA-N 0 0 415.494 0.961 50 0 HCAARN CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000006832701 534801907 /nfs/dbraw/zinc/80/19/07/534801907.db2.gz ITGCDPSJBJTWMS-UHFFFAOYSA-N 0 0 403.464 0.733 50 0 HCAARN C[C@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccc2c(c1)OCCO2 ZINC000006849641 569153979 /nfs/dbraw/zinc/15/39/79/569153979.db2.gz LXNGSTNKGNOZJX-ZDUSSCGKSA-N 0 0 421.475 0.747 50 0 HCAARN C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O)c1ccc2c(c1)OCCO2 ZINC000006849646 569154035 /nfs/dbraw/zinc/15/40/35/569154035.db2.gz LXNGSTNKGNOZJX-CYBMUJFWSA-N 0 0 421.475 0.747 50 0 HCAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000006850324 569154114 /nfs/dbraw/zinc/15/41/14/569154114.db2.gz OCMRFUGBVOXDKW-CYBMUJFWSA-N 0 0 407.448 0.055 50 0 HCAARN CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000006850327 569154139 /nfs/dbraw/zinc/15/41/39/569154139.db2.gz OCMRFUGBVOXDKW-ZDUSSCGKSA-N 0 0 407.448 0.055 50 0 HCAARN COc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 ZINC000006862204 569158569 /nfs/dbraw/zinc/15/85/69/569158569.db2.gz JUNCFOIMDMDUQW-UHFFFAOYSA-N 0 0 406.464 0.852 50 0 HCAARN COc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000006865447 569158824 /nfs/dbraw/zinc/15/88/24/569158824.db2.gz JFFMYYGMNDHEDA-UHFFFAOYSA-N 0 0 406.464 0.852 50 0 HCAARN CS(=O)(=O)CC[C@@H](C(=O)N1CCC2(CC1)OCCO2)N1Cc2ccccc2C1=O ZINC000006875196 568462918 /nfs/dbraw/zinc/46/29/18/568462918.db2.gz YNKQAZQMEGGQTG-KRWDZBQOSA-N 0 0 422.503 0.811 50 0 HCAARN CS(=O)(=O)CC[C@H](C(=O)N1CCC2(CC1)OCCO2)N1Cc2ccccc2C1=O ZINC000006875200 569162110 /nfs/dbraw/zinc/16/21/10/569162110.db2.gz YNKQAZQMEGGQTG-QGZVFWFLSA-N 0 0 422.503 0.811 50 0 HCAARN C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000006878165 569164933 /nfs/dbraw/zinc/16/49/33/569164933.db2.gz SSZTVBUJSUPPNI-LJQANCHMSA-N 0 0 405.476 0.959 50 0 HCAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000006878166 569164948 /nfs/dbraw/zinc/16/49/48/569164948.db2.gz SSZTVBUJSUPPNI-IBGZPJMESA-N 0 0 405.476 0.959 50 0 HCAARN COc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1N(C)S(C)(=O)=O ZINC000006878771 569165151 /nfs/dbraw/zinc/16/51/51/569165151.db2.gz PRKMMHWDLFINDG-UHFFFAOYSA-N 0 0 419.525 0.382 50 0 HCAARN O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000006879964 569165303 /nfs/dbraw/zinc/16/53/03/569165303.db2.gz MDDVTLQHGVQKKN-UHFFFAOYSA-N 0 0 418.475 0.766 50 0 HCAARN CN(C(=O)CCNC(=O)c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000006881170 569167682 /nfs/dbraw/zinc/16/76/82/569167682.db2.gz SIPICBUTMNRTBP-UHFFFAOYSA-N 0 0 411.418 0.543 50 0 HCAARN CCCn1c(N)c(C(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c(=O)n(C)c1=O ZINC000006881481 569167811 /nfs/dbraw/zinc/16/78/11/569167811.db2.gz NTUJVXFUPISRIS-UHFFFAOYSA-N 0 0 415.494 0.909 50 0 HCAARN COCCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000006882344 569168235 /nfs/dbraw/zinc/16/82/35/569168235.db2.gz WKQXJGRBXHCQHH-FQEVSTJZSA-N 0 0 402.451 0.805 50 0 HCAARN COCCCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000006882345 569168293 /nfs/dbraw/zinc/16/82/93/569168293.db2.gz WKQXJGRBXHCQHH-HXUWFJFHSA-N 0 0 402.451 0.805 50 0 HCAARN O=C(COC(=O)COc1ccc(Br)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000006886369 569169643 /nfs/dbraw/zinc/16/96/43/569169643.db2.gz CBDVQMMTUFLDCN-LLVKDONJSA-N 0 0 406.254 0.674 50 0 HCAARN O=C(COC(=O)COc1ccc(Br)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000006886371 569169616 /nfs/dbraw/zinc/16/96/16/569169616.db2.gz CBDVQMMTUFLDCN-NSHDSACASA-N 0 0 406.254 0.674 50 0 HCAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2=O ZINC000006899386 569175953 /nfs/dbraw/zinc/17/59/53/569175953.db2.gz DPLAGSOIGOHNEF-YJYMSZOUSA-N 0 0 422.507 0.493 50 0 HCAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2=O ZINC000006899428 569175900 /nfs/dbraw/zinc/17/59/00/569175900.db2.gz DPLAGSOIGOHNEF-BFUOFWGJSA-N 0 0 422.507 0.493 50 0 HCAARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2=O ZINC000006900991 569177762 /nfs/dbraw/zinc/17/77/62/569177762.db2.gz DPLAGSOIGOHNEF-DJJJIMSYSA-N 0 0 422.507 0.493 50 0 HCAARN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2=O ZINC000006901074 569177771 /nfs/dbraw/zinc/17/77/71/569177771.db2.gz DPLAGSOIGOHNEF-ORAYPTAESA-N 0 0 422.507 0.493 50 0 HCAARN CCn1c2ccc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2[nH]c(=O)c1=O ZINC000006908077 569178595 /nfs/dbraw/zinc/17/85/95/569178595.db2.gz VXNDWSCYUNQXEG-NSHDSACASA-N 0 0 416.459 0.848 50 0 HCAARN CCn1c2ccc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2[nH]c(=O)c1=O ZINC000006908078 569178631 /nfs/dbraw/zinc/17/86/31/569178631.db2.gz VXNDWSCYUNQXEG-LLVKDONJSA-N 0 0 416.459 0.848 50 0 HCAARN COCCN1C(=O)/C(=C/N2CCN(c3ccc(OC)cc3)CC2)C(=O)NC1=S ZINC000006911219 569049325 /nfs/dbraw/zinc/04/93/25/569049325.db2.gz HJRVFNGBHGBWQA-DTQAZKPQSA-N 0 0 404.492 0.591 50 0 HCAARN Cc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1-c1ccc(C)cc1 ZINC000006912518 569178998 /nfs/dbraw/zinc/17/89/98/569178998.db2.gz VRAWCMSUYNKFTG-UHFFFAOYSA-N 0 0 400.464 0.839 50 0 HCAARN COCCNC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000006914609 569180054 /nfs/dbraw/zinc/18/00/54/569180054.db2.gz TZYDTQDIUFUNPZ-UHFFFAOYSA-N 0 0 410.430 0.954 50 0 HCAARN CCOC(=O)CNC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C ZINC000006917230 132320619 /nfs/dbraw/zinc/32/06/19/132320619.db2.gz UBADYKLSVSKJDW-UHFFFAOYSA-N 0 0 416.482 0.728 50 0 HCAARN Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)N1CCOCC1 ZINC000006917251 132320856 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Cc1ccc(NC(=O)COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F ZINC000012660549 568907031 /nfs/dbraw/zinc/90/70/31/568907031.db2.gz NHEMUZUTHHYDSL-UHFFFAOYSA-N 0 0 403.370 0.063 50 0 HCAARN CC(C)c1ccccc1NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000012660605 568907080 /nfs/dbraw/zinc/90/70/80/568907080.db2.gz SQBGJPURRUCTOZ-UHFFFAOYSA-N 0 0 413.434 0.739 50 0 HCAARN O=c1c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)C(=O)[C@H]3O)cc2occ1-c1ccc(F)cc1 ZINC000012660812 569402572 /nfs/dbraw/zinc/40/25/72/569402572.db2.gz FNJCFCHAQOXFCJ-KRZXBLKESA-N 0 0 416.357 0.986 50 0 biogenic HCAARN CCOC(=O)Cn1c(-c2ccc(OC)cc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000012663491 569402705 /nfs/dbraw/zinc/40/27/05/569402705.db2.gz LCLICTRQKUUIAO-UHFFFAOYSA-N 0 0 411.418 0.925 50 0 biogenic HCAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000012671460 568907369 /nfs/dbraw/zinc/90/73/69/568907369.db2.gz ZXRUUDGBVGFGGQ-UHFFFAOYSA-N 0 0 406.464 0.616 50 0 HCAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CSCC3=O)cc2)C[C@H](C)O1 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568923098 /nfs/dbraw/zinc/92/30/98/568923098.db2.gz ZFUGJJZLKWHXHX-ZDUSSCGKSA-N 0 0 408.418 0.393 50 0 HCAARN Cc1nc(C)c(CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]1 ZINC000012734059 568923922 /nfs/dbraw/zinc/92/39/22/568923922.db2.gz INXUZGYXVKPUGH-UHFFFAOYSA-N 0 0 420.491 0.979 50 0 HCAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1F ZINC000012737651 568925302 /nfs/dbraw/zinc/92/53/02/568925302.db2.gz OZCHCKZEFVSUGT-UHFFFAOYSA-N 0 0 408.455 0.718 50 0 HCAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 ZINC000012739025 568926485 /nfs/dbraw/zinc/92/64/85/568926485.db2.gz MTJKEHQRZWXJGI-UMVBOHGHSA-N 0 0 416.521 0.401 50 0 HCAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@H](C)O1 ZINC000012739027 568926460 /nfs/dbraw/zinc/92/64/60/568926460.db2.gz MTJKEHQRZWXJGI-VNHYZAJKSA-N 0 0 416.521 0.401 50 0 HCAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 ZINC000012739029 568926424 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O=C(c1cccc(-n2cnnn2)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012753737 568941882 /nfs/dbraw/zinc/94/18/82/568941882.db2.gz VCIRNBLCUNTVFH-IBGZPJMESA-N 0 0 420.429 0.787 50 0 HCAARN O=C(c1cccc(-n2cnnn2)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012753743 568942119 /nfs/dbraw/zinc/94/21/19/568942119.db2.gz VCIRNBLCUNTVFH-LJQANCHMSA-N 0 0 420.429 0.787 50 0 HCAARN Cn1c2ccccc2n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O ZINC000012756964 568944250 /nfs/dbraw/zinc/94/42/50/568944250.db2.gz YLQBYCWZYVBAQW-UHFFFAOYSA-N 0 0 414.487 0.873 50 0 HCAARN Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000012757165 568944257 /nfs/dbraw/zinc/94/42/57/568944257.db2.gz KMAMYQCUJXJTQR-UHFFFAOYSA-N 0 0 421.497 0.579 50 0 HCAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)c1 ZINC000012757279 568944231 /nfs/dbraw/zinc/94/42/31/568944231.db2.gz URBADHKXVILJKF-UHFFFAOYSA-N 0 0 406.449 0.746 50 0 HCAARN Cc1ccnc2nc(C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)nn21 ZINC000012758128 132366722 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CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cn(C)nc3OC)n2C)CC1 ZINC000012871325 569013304 /nfs/dbraw/zinc/01/33/04/569013304.db2.gz YFKCCONVBMTAEK-UHFFFAOYSA-N 0 0 423.499 0.617 50 0 HCAARN Cc1csc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)n1 ZINC000012872105 569404298 /nfs/dbraw/zinc/40/42/98/569404298.db2.gz KPYJUZGASBQBNI-WIMVFMHDSA-N 0 0 421.427 0.404 50 0 biogenic HCAARN COC(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012874546 569013499 /nfs/dbraw/zinc/01/34/99/569013499.db2.gz XIMXASYUKQHILV-GFCCVEGCSA-N 0 0 412.464 0.536 50 0 HCAARN COC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012874553 569013519 /nfs/dbraw/zinc/01/35/19/569013519.db2.gz XIMXASYUKQHILV-LBPRGKRZSA-N 0 0 412.464 0.536 50 0 HCAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCc2ccco2)cc1 ZINC000012875172 569013559 /nfs/dbraw/zinc/01/35/59/569013559.db2.gz BHBRAPPVHAZFQZ-UHFFFAOYSA-N 0 0 423.447 0.718 50 0 HCAARN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000012879418 569014312 /nfs/dbraw/zinc/01/43/12/569014312.db2.gz WMPYXCHAXXQFKB-UHFFFAOYSA-N 0 0 418.406 0.879 50 0 HCAARN CCN1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000012879917 569014723 /nfs/dbraw/zinc/01/47/23/569014723.db2.gz KIKBIVITVWPCPV-OAHLLOKOSA-N 0 0 400.570 0.607 50 0 HCAARN CCN1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000012879926 569014720 /nfs/dbraw/zinc/01/47/20/569014720.db2.gz KIKBIVITVWPCPV-HNNXBMFYSA-N 0 0 400.570 0.607 50 0 HCAARN C[C@@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1sccc1C(N)=O ZINC000012881023 569018279 /nfs/dbraw/zinc/01/82/79/569018279.db2.gz FZFVYBWMWNXSEX-SECBINFHSA-N 0 0 403.482 0.389 50 0 HCAARN C[C@H](OC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)Nc1sccc1C(N)=O ZINC000012881029 569018261 /nfs/dbraw/zinc/01/82/61/569018261.db2.gz FZFVYBWMWNXSEX-VIFPVBQESA-N 0 0 403.482 0.389 50 0 HCAARN COC(=O)c1ccc(C)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000012881241 569018623 /nfs/dbraw/zinc/01/86/23/569018623.db2.gz NQRDYQRDJDMGDM-CYBMUJFWSA-N 0 0 407.448 0.886 50 0 HCAARN COC(=O)c1ccc(C)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000012881253 569018598 /nfs/dbraw/zinc/01/85/98/569018598.db2.gz NQRDYQRDJDMGDM-ZDUSSCGKSA-N 0 0 407.448 0.886 50 0 HCAARN O=C(CNC(=O)c1ccccc1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000012882597 569019144 /nfs/dbraw/zinc/01/91/44/569019144.db2.gz OPUPYKJUUBDOGN-UHFFFAOYSA-N 0 0 417.487 0.754 50 0 HCAARN NC(=O)CCc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C1CC1 ZINC000012883091 569019152 /nfs/dbraw/zinc/01/91/52/569019152.db2.gz CVYAGSMOPICSCS-UHFFFAOYSA-N 0 0 424.508 0.409 50 0 HCAARN CCN(CC)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000012883928 569019366 /nfs/dbraw/zinc/01/93/66/569019366.db2.gz FVWGOYCVTHWDAZ-UHFFFAOYSA-N 0 0 405.542 0.525 50 0 HCAARN COCCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000012884185 569019373 /nfs/dbraw/zinc/01/93/73/569019373.db2.gz FBMPOJWZKGWNPE-UHFFFAOYSA-N 0 0 417.915 0.620 50 0 HCAARN COCCN1C(=O)C(=O)N(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C1=O ZINC000012884556 569019403 /nfs/dbraw/zinc/01/94/03/569019403.db2.gz DCAJJAQEPUTWMB-UHFFFAOYSA-N 0 0 410.386 0.975 50 0 HCAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)C(=O)NC1CCCC1 ZINC000012885413 569404557 /nfs/dbraw/zinc/40/45/57/569404557.db2.gz PQQLCFUYIOUZRY-MWNCTCPHSA-N 0 0 413.540 0.710 50 0 biogenic HCAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cnc2n(c1=O)CCS2 ZINC000012887735 558483304 /nfs/dbraw/zinc/48/33/04/558483304.db2.gz VNGPRTJYCJQKLQ-UHFFFAOYSA-N 0 0 413.459 0.874 50 0 HCAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)c1C ZINC000012887876 569019671 /nfs/dbraw/zinc/01/96/71/569019671.db2.gz VHTSPHONFJWJIT-GOSISDBHSA-N 0 0 416.503 0.802 50 0 HCAARN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2Cc3ccccc3C[C@H]2C(N)=O)c1C ZINC000012887887 569019674 /nfs/dbraw/zinc/01/96/74/569019674.db2.gz VHTSPHONFJWJIT-SFHVURJKSA-N 0 0 416.503 0.802 50 0 HCAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000012889900 569019924 /nfs/dbraw/zinc/01/99/24/569019924.db2.gz IYXHWLGXJKGXMV-UHFFFAOYSA-N 0 0 423.433 0.042 50 0 HCAARN CN(CC(=O)N1CCC2(CC1)NC(=O)NC2=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012890183 569019923 /nfs/dbraw/zinc/01/99/23/569019923.db2.gz SYYLUXRVWUJCRV-UHFFFAOYSA-N 0 0 414.871 0.161 50 0 HCAARN O=C(CN1CCN(C(=O)c2cnc3n(c2=O)CCS3)CC1)N1CCCCCC1 ZINC000012891238 569020094 /nfs/dbraw/zinc/02/00/94/569020094.db2.gz WZMCDZSSLFWHFB-UHFFFAOYSA-N 0 0 405.524 0.509 50 0 HCAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000012892413 569020000 /nfs/dbraw/zinc/02/00/00/569020000.db2.gz DBGFTWNQMRABKA-UHFFFAOYSA-N 0 0 400.460 0.762 50 0 HCAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)n3nc4ccccn4c3=O)CC2)cc1 ZINC000012892539 569020183 /nfs/dbraw/zinc/02/01/83/569020183.db2.gz UDGSECFCMZWRPK-UHFFFAOYSA-N 0 0 415.475 0.451 50 0 HCAARN CC(C)[C@H]([NH3+])C(=O)NC[C@H](CC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1ccc(Cl)cc1 ZINC000012892719 569404669 /nfs/dbraw/zinc/40/46/69/569404669.db2.gz NBDKSVTYZKWFER-DTJGQCLQSA-N 0 0 413.902 0.863 50 0 biogenic HCAARN CC(C)[C@H]([NH3+])C(=O)NC[C@H](CC(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1ccc(Cl)cc1 ZINC000012892726 569404680 /nfs/dbraw/zinc/40/46/80/569404680.db2.gz NBDKSVTYZKWFER-SCTFDZSOSA-N 0 0 413.902 0.863 50 0 biogenic HCAARN Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000012893447 569020107 /nfs/dbraw/zinc/02/01/07/569020107.db2.gz WVMBEUFLXNQIDV-MRVPVSSYSA-N 0 0 415.522 0.608 50 0 HCAARN Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000012893455 569020117 /nfs/dbraw/zinc/02/01/17/569020117.db2.gz WVMBEUFLXNQIDV-QMMMGPOBSA-N 0 0 415.522 0.608 50 0 HCAARN CCn1cc(C(=O)N[C@H](C(=O)N(C)CCO)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000012894464 569404679 /nfs/dbraw/zinc/40/46/79/569404679.db2.gz YXQSMONCIKCNFF-SFHVURJKSA-N 0 0 417.462 0.955 50 0 biogenic HCAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H]4CS(=O)(=O)C[C@@H]4O)c(C)c3cc12 ZINC000012895049 569404703 /nfs/dbraw/zinc/40/47/03/569404703.db2.gz RGIAPUMQEWCATC-CABCVRRESA-N 0 0 405.428 0.973 50 0 biogenic HCAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@H]4CS(=O)(=O)C[C@@H]4O)c(C)c3cc12 ZINC000012895055 569404678 /nfs/dbraw/zinc/40/46/78/569404678.db2.gz RGIAPUMQEWCATC-GJZGRUSLSA-N 0 0 405.428 0.973 50 0 biogenic HCAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H]4CS(=O)(=O)C[C@H]4O)c(C)c3cc12 ZINC000012895061 569404697 /nfs/dbraw/zinc/40/46/97/569404697.db2.gz RGIAPUMQEWCATC-HUUCEWRRSA-N 0 0 405.428 0.973 50 0 biogenic HCAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@H]4CS(=O)(=O)C[C@H]4O)c(C)c3cc12 ZINC000012895066 569291659 /nfs/dbraw/zinc/29/16/59/569291659.db2.gz RGIAPUMQEWCATC-LSDHHAIUSA-N 0 0 405.428 0.973 50 0 biogenic HCAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000012895662 569020273 /nfs/dbraw/zinc/02/02/73/569020273.db2.gz YBOWMSDHWIEQPY-UHFFFAOYSA-N 0 0 422.507 0.570 50 0 HCAARN CCOc1ccccc1-n1nnnc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000012896163 569020325 /nfs/dbraw/zinc/02/03/25/569020325.db2.gz RJGNTKPTPKVEDU-GFCCVEGCSA-N 0 0 411.509 0.799 50 0 HCAARN CCOc1ccccc1-n1nnnc1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000012896169 569020314 /nfs/dbraw/zinc/02/03/14/569020314.db2.gz RJGNTKPTPKVEDU-LBPRGKRZSA-N 0 0 411.509 0.799 50 0 HCAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)c1ccccc1OC ZINC000012896490 569020286 /nfs/dbraw/zinc/02/02/86/569020286.db2.gz IYKGSTVWOHYYNX-UHFFFAOYSA-N 0 0 405.476 0.791 50 0 HCAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1=O ZINC000012896493 569020276 /nfs/dbraw/zinc/02/02/76/569020276.db2.gz MDTNVILYVIWOCS-NRFANRHFSA-N 0 0 421.413 0.578 50 0 HCAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1=O ZINC000012896500 569020279 /nfs/dbraw/zinc/02/02/79/569020279.db2.gz MDTNVILYVIWOCS-OAQYLSRUSA-N 0 0 421.413 0.991 50 0 HCAARN O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000012896654 569020320 /nfs/dbraw/zinc/02/03/20/569020320.db2.gz OZKJGJAFQKGNGO-UHFFFAOYSA-N 0 0 403.460 0.616 50 0 HCAARN Cc1ccnc2nc(C(=O)OCC(=O)c3ccc(CCNS(C)(=O)=O)s3)nn21 ZINC000012897235 569020360 /nfs/dbraw/zinc/02/03/60/569020360.db2.gz RXKHJIUEXKUJJH-UHFFFAOYSA-N 0 0 423.476 0.626 50 0 HCAARN CNS(=O)(=O)Cc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O ZINC000012897275 569020390 /nfs/dbraw/zinc/02/03/90/569020390.db2.gz ODUSAPWIGSSZTR-UHFFFAOYSA-N 0 0 401.448 0.157 50 0 HCAARN O=C(Nc1cccc(N2CCCC2=O)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012898706 569020501 /nfs/dbraw/zinc/02/05/01/569020501.db2.gz NWTNIIHMCNRGQI-OAHLLOKOSA-N 0 0 418.475 0.917 50 0 HCAARN O=C(Nc1cccc(N2CCCC2=O)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012898715 569020513 /nfs/dbraw/zinc/02/05/13/569020513.db2.gz NWTNIIHMCNRGQI-HNNXBMFYSA-N 0 0 418.475 0.917 50 0 HCAARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1nc(-c2ccccc2)n(C2CC2)c1=S ZINC000012898978 558483690 /nfs/dbraw/zinc/48/36/90/558483690.db2.gz GCTJDEBTNZKBID-XSDHEKCYSA-N 0 0 420.491 0.532 50 0 HCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000012899314 569020565 /nfs/dbraw/zinc/02/05/65/569020565.db2.gz 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Cn1c2c(nc(Br)n2CC(=O)NCc2cccs2)c(=O)n(C)c1=O ZINC000014120472 558622412 /nfs/dbraw/zinc/62/24/12/558622412.db2.gz VOSNQUQXZHXAGT-UHFFFAOYSA-N 0 0 412.269 0.574 50 0 HCAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C ZINC000014122036 558622453 /nfs/dbraw/zinc/62/24/53/558622453.db2.gz MZVZGJPFLONKHZ-UHFFFAOYSA-N 0 0 422.551 0.395 50 0 HCAARN Cn1c(N)c(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c(=O)n(C)c1=O ZINC000014123458 559152233 /nfs/dbraw/zinc/15/22/33/559152233.db2.gz LIPUBTXWURBQHS-UHFFFAOYSA-N 0 0 410.217 0.566 50 0 HCAARN CC(C)C[C@@H](NC(N)=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014123808 559152189 /nfs/dbraw/zinc/15/21/89/559152189.db2.gz JOYSPVVNSTZTGU-MRXNPFEDSA-N 0 0 412.512 0.407 50 0 HCAARN CC(C)C[C@H](NC(N)=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000014123811 559152154 /nfs/dbraw/zinc/15/21/54/559152154.db2.gz JOYSPVVNSTZTGU-INIZCTEOSA-N 0 0 412.512 0.407 50 0 HCAARN CCOC(=O)C1=C(Cn2nnc(-c3ccc(OC)c(OC)c3)n2)NC(=O)N[C@@H]1C ZINC000014125819 558623094 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ZINC000014160097 559154282 /nfs/dbraw/zinc/15/42/82/559154282.db2.gz IENNPGZCWRBVFT-PRWKNARSSA-N 0 0 414.418 0.735 50 0 HCAARN CCOC(=O)C1=C(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)NC(=O)N[C@H]1C ZINC000014160100 559154280 /nfs/dbraw/zinc/15/42/80/559154280.db2.gz IENNPGZCWRBVFT-YBTHPKLGSA-N 0 0 414.418 0.735 50 0 HCAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014167663 558626661 /nfs/dbraw/zinc/62/66/61/558626661.db2.gz ALEXQEIHALSXIK-VIFPVBQESA-N 0 0 423.476 0.947 50 0 HCAARN O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014167665 558626708 /nfs/dbraw/zinc/62/67/08/558626708.db2.gz ALEXQEIHALSXIK-SECBINFHSA-N 0 0 423.476 0.947 50 0 HCAARN CCC(CC)NC(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000014167755 558626924 /nfs/dbraw/zinc/62/69/24/558626924.db2.gz IKWDDNBBNZFATR-UHFFFAOYSA-N 0 0 411.484 0.186 50 0 HCAARN Cc1cccc(NC(=O)CNC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)c1C ZINC000014170711 559154786 /nfs/dbraw/zinc/15/47/86/559154786.db2.gz 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ZINC000014183678 558629378 /nfs/dbraw/zinc/62/93/78/558629378.db2.gz OHNGRGNOAMNQEY-XQQFMLRXSA-N 0 0 402.542 0.568 50 0 HCAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)NC1CC1 ZINC000014184339 559155123 /nfs/dbraw/zinc/15/51/23/559155123.db2.gz HYYKSBGSBCHRHX-UHFFFAOYSA-N 0 0 424.475 0.680 50 0 HCAARN C[C@@H](OC(=O)CCCNS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000014186216 558631056 /nfs/dbraw/zinc/63/10/56/558631056.db2.gz MHHPTNVRPAHZPO-CYBMUJFWSA-N 0 0 402.444 0.675 50 0 HCAARN C[C@H](OC(=O)CCCNS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCOCC1 ZINC000014186218 558631050 /nfs/dbraw/zinc/63/10/50/558631050.db2.gz MHHPTNVRPAHZPO-ZDUSSCGKSA-N 0 0 402.444 0.675 50 0 HCAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)c1 ZINC000014188879 558632013 /nfs/dbraw/zinc/63/20/13/558632013.db2.gz LTSMHVJSIQTAQU-UHFFFAOYSA-N 0 0 401.510 0.585 50 0 HCAARN O=c1[nH]c2ccc(S(=O)(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2[nH]1 ZINC000014190315 558632644 /nfs/dbraw/zinc/63/26/44/558632644.db2.gz XBGGIVULFHVOQV-NEPJUHHUSA-N 0 0 415.493 0.213 50 0 HCAARN O=c1[nH]c2ccc(S(=O)(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2[nH]1 ZINC000014190317 558632674 /nfs/dbraw/zinc/63/26/74/558632674.db2.gz XBGGIVULFHVOQV-VXGBXAGGSA-N 0 0 415.493 0.213 50 0 HCAARN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000014197701 558634372 /nfs/dbraw/zinc/63/43/72/558634372.db2.gz CLCKNNIAPNJVAL-ZIAGYGMSSA-N 0 0 421.516 0.486 50 0 HCAARN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000014197703 558634382 /nfs/dbraw/zinc/63/43/82/558634382.db2.gz CLCKNNIAPNJVAL-OKILXGFUSA-N 0 0 421.516 0.486 50 0 HCAARN C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000014197704 558634385 /nfs/dbraw/zinc/63/43/85/558634385.db2.gz CLCKNNIAPNJVAL-KBPBESRZSA-N 0 0 421.516 0.486 50 0 HCAARN Cn1c(N)c(C(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c(=O)[nH]c1=O ZINC000014200125 559156627 /nfs/dbraw/zinc/15/66/27/559156627.db2.gz ZOONJAOTSHWYOZ-UHFFFAOYSA-N 0 0 419.488 0.808 50 0 HCAARN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1 ZINC000014201134 558636568 /nfs/dbraw/zinc/63/65/68/558636568.db2.gz VNGCRPNMMWNCLR-UHFFFAOYSA-N 0 0 409.430 0.931 50 0 HCAARN C[C@@H]1CN(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)C[C@@H](C)O1 ZINC000014201521 558637003 /nfs/dbraw/zinc/63/70/03/558637003.db2.gz GSLDSSSKKNAVNL-CHWSQXEVSA-N 0 0 423.582 0.845 50 0 HCAARN C[C@@H]1CN(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000014201523 558637106 /nfs/dbraw/zinc/63/71/06/558637106.db2.gz GSLDSSSKKNAVNL-BETUJISGSA-N 0 0 423.582 0.845 50 0 HCAARN C[C@H]1CN(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000014201524 558637060 /nfs/dbraw/zinc/63/70/60/558637060.db2.gz GSLDSSSKKNAVNL-STQMWFEESA-N 0 0 423.582 0.845 50 0 HCAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000014201530 569258867 /nfs/dbraw/zinc/25/88/67/569258867.db2.gz BOQVEIJTRQMVFH-SECBINFHSA-N 0 0 400.931 0.715 50 0 HCAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000014201531 569258922 /nfs/dbraw/zinc/25/89/22/569258922.db2.gz BOQVEIJTRQMVFH-VIFPVBQESA-N 0 0 400.931 0.715 50 0 HCAARN CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(CCNS(C)(=O)=O)s2)C1=O ZINC000014201545 558637011 /nfs/dbraw/zinc/63/70/11/558637011.db2.gz JZJZXGCDGPUQLI-UHFFFAOYSA-N 0 0 415.493 0.469 50 0 HCAARN CC(C)(C)NC(=O)CN1CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000014201738 558636976 /nfs/dbraw/zinc/63/69/76/558636976.db2.gz PFWZGAGHMNACAN-UHFFFAOYSA-N 0 0 415.494 0.551 50 0 HCAARN COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000014202010 558637391 /nfs/dbraw/zinc/63/73/91/558637391.db2.gz MYTBEXJWLWGESL-CQSZACIVSA-N 0 0 401.485 0.364 50 0 HCAARN COC(=O)[C@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000014202011 558637395 /nfs/dbraw/zinc/63/73/95/558637395.db2.gz MYTBEXJWLWGESL-AWEZNQCLSA-N 0 0 401.485 0.364 50 0 HCAARN O=C([C@@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1)N1CCOCC1 ZINC000014208937 569258957 /nfs/dbraw/zinc/25/89/57/569258957.db2.gz DINMDFNIOPRXNZ-MRXNPFEDSA-N 0 0 406.508 0.937 50 0 HCAARN O=C([C@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1)N1CCOCC1 ZINC000014208939 569258967 /nfs/dbraw/zinc/25/89/67/569258967.db2.gz DINMDFNIOPRXNZ-INIZCTEOSA-N 0 0 406.508 0.937 50 0 HCAARN Cn1cc(S(=O)(=O)NCCc2ccc(Br)s2)c(=O)n(C)c1=O ZINC000014210589 559157020 /nfs/dbraw/zinc/15/70/20/559157020.db2.gz VZBGRVIWKMKFBR-UHFFFAOYSA-N 0 0 408.299 0.429 50 0 HCAARN COC(=O)c1c2c(sc1NC(=O)CN1CCN(S(C)(=O)=O)CC1)CCCC2 ZINC000014217564 569259034 /nfs/dbraw/zinc/25/90/34/569259034.db2.gz BOLQORFKKANCNP-UHFFFAOYSA-N 0 0 415.537 0.929 50 0 HCAARN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC(N)=O)c1ccccc1 ZINC000014227507 558638943 /nfs/dbraw/zinc/63/89/43/558638943.db2.gz ZMXWPXIOVMOUTG-UHFFFAOYSA-N 0 0 406.464 0.178 50 0 HCAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCN(c2ccccn2)CC1 ZINC000014228173 558639314 /nfs/dbraw/zinc/63/93/14/558639314.db2.gz CXXNUQAGKQBNDX-UHFFFAOYSA-N 0 0 405.458 0.802 50 0 HCAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1)N1CCCCCC1 ZINC000014228468 558639302 /nfs/dbraw/zinc/63/93/02/558639302.db2.gz UADCVMPLBGRKNS-UHFFFAOYSA-N 0 0 420.535 0.890 50 0 HCAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1=O ZINC000014230251 558639705 /nfs/dbraw/zinc/63/97/05/558639705.db2.gz DCEUXTZNKHFTGP-NZSAHSFTSA-N 0 0 419.547 0.927 50 0 HCAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1=O ZINC000014230257 558639693 /nfs/dbraw/zinc/63/96/93/558639693.db2.gz DCEUXTZNKHFTGP-BHIYHBOVSA-N 0 0 419.547 0.927 50 0 HCAARN CCCCN1C(=O)C(=O)N(CN2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000014231800 558640039 /nfs/dbraw/zinc/64/00/39/558640039.db2.gz PQDXHRJSOOWGRA-UHFFFAOYSA-N 0 0 408.480 0.541 50 0 HCAARN CCN1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000014237916 559161534 /nfs/dbraw/zinc/16/15/34/559161534.db2.gz BYEIXBYTSYUTCK-MRXNPFEDSA-N 0 0 412.531 0.685 50 0 HCAARN CCN1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000014237919 559161566 /nfs/dbraw/zinc/16/15/66/559161566.db2.gz BYEIXBYTSYUTCK-INIZCTEOSA-N 0 0 412.531 0.685 50 0 HCAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2ncc3ccccc3c2=O)CC1 ZINC000014238789 558642804 /nfs/dbraw/zinc/64/28/04/558642804.db2.gz CGAHSWLFLOXSDS-UHFFFAOYSA-N 0 0 403.464 0.965 50 0 HCAARN O=C1c2ccccc2N(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1=O ZINC000014238797 558642818 /nfs/dbraw/zinc/64/28/18/558642818.db2.gz OQTRXBFOJSTITM-UHFFFAOYSA-N 0 0 406.508 0.912 50 0 HCAARN O=C1c2ccccc2C(=O)N1CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000014238800 558642879 /nfs/dbraw/zinc/64/28/79/558642879.db2.gz YTPZZJNEWSXHDJ-UHFFFAOYSA-N 0 0 406.508 0.979 50 0 HCAARN CC(=O)N1C[C@@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)Oc2ccccc21 ZINC000014238992 558642787 /nfs/dbraw/zinc/64/27/87/558642787.db2.gz BJSRPKPGIQENND-QAPCUYQASA-N 0 0 407.492 0.132 50 0 HCAARN CC(=O)N1C[C@H](C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)Oc2ccccc21 ZINC000014238995 558642795 /nfs/dbraw/zinc/64/27/95/558642795.db2.gz BJSRPKPGIQENND-CRAIPNDOSA-N 0 0 407.492 0.132 50 0 HCAARN CC(=O)N1C[C@@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)Oc2ccccc21 ZINC000014238998 132460136 /nfs/dbraw/zinc/46/01/36/132460136.db2.gz BJSRPKPGIQENND-YJBOKZPZSA-N 0 0 407.492 0.132 50 0 HCAARN CC(=O)N1C[C@H](C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)Oc2ccccc21 ZINC000014239001 132460141 /nfs/dbraw/zinc/46/01/41/132460141.db2.gz BJSRPKPGIQENND-MAUKXSAKSA-N 0 0 407.492 0.132 50 0 HCAARN O=C(Cn1cnc2ccccc2c1=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000014239140 558642802 /nfs/dbraw/zinc/64/28/02/558642802.db2.gz XAICYHZFLMNQSS-UHFFFAOYSA-N 0 0 411.506 0.943 50 0 HCAARN COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000014240583 558643483 /nfs/dbraw/zinc/64/34/83/558643483.db2.gz KEBQARYOEHPXJB-UHFFFAOYSA-N 0 0 420.491 0.208 50 0 HCAARN Cc1ccc(N2C(=O)C(=O)N(CC(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000014240900 558643719 /nfs/dbraw/zinc/64/37/19/558643719.db2.gz LUNHUJTXBDWNHC-OAHLLOKOSA-N 0 0 419.459 0.468 50 0 HCAARN Cc1ccc(N2C(=O)C(=O)N(CC(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000014240901 558643677 /nfs/dbraw/zinc/64/36/77/558643677.db2.gz LUNHUJTXBDWNHC-HNNXBMFYSA-N 0 0 419.459 0.468 50 0 HCAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000014240941 559161697 /nfs/dbraw/zinc/16/16/97/559161697.db2.gz ISLIVNUGDWYWOG-CQSZACIVSA-N 0 0 412.464 0.348 50 0 HCAARN CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000014240942 559161677 /nfs/dbraw/zinc/16/16/77/559161677.db2.gz ISLIVNUGDWYWOG-AWEZNQCLSA-N 0 0 412.464 0.348 50 0 HCAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 ZINC000014241330 558644120 /nfs/dbraw/zinc/64/41/20/558644120.db2.gz SUMIDVWJCPNDQX-UHFFFAOYSA-N 0 0 420.491 0.208 50 0 HCAARN O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014242967 558645524 /nfs/dbraw/zinc/64/55/24/558645524.db2.gz UQURSFVDFKBTPO-UHFFFAOYSA-N 0 0 419.503 0.839 50 0 HCAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000014244133 559161538 /nfs/dbraw/zinc/16/15/38/559161538.db2.gz HMCOQXBTLLFBGQ-UHFFFAOYSA-N 0 0 416.459 0.693 50 0 HCAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1CCN(c2ccccn2)CC1 ZINC000014246477 558647505 /nfs/dbraw/zinc/64/75/05/558647505.db2.gz QBHFPRQDCGITME-JOCHJYFZSA-N 0 0 421.457 0.960 50 0 HCAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CCN(c2ccccn2)CC1 ZINC000014246478 558647544 /nfs/dbraw/zinc/64/75/44/558647544.db2.gz QBHFPRQDCGITME-QFIPXVFZSA-N 0 0 421.457 0.960 50 0 HCAARN CNC(=O)[C@@H]1CN(C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2O1 ZINC000014246510 558647576 /nfs/dbraw/zinc/64/75/76/558647576.db2.gz WJDOWPGAKRUIOP-QAPCUYQASA-N 0 0 421.519 0.426 50 0 HCAARN CNC(=O)[C@H]1CN(C(=O)C2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2O1 ZINC000014246511 558647571 /nfs/dbraw/zinc/64/75/71/558647571.db2.gz WJDOWPGAKRUIOP-CRAIPNDOSA-N 0 0 421.519 0.426 50 0 HCAARN CNC(=O)[C@@H]1CN(C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2O1 ZINC000014246512 558647585 /nfs/dbraw/zinc/64/75/85/558647585.db2.gz WJDOWPGAKRUIOP-YJBOKZPZSA-N 0 0 421.519 0.426 50 0 HCAARN CNC(=O)[C@H]1CN(C(=O)C2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2O1 ZINC000014246513 558647525 /nfs/dbraw/zinc/64/75/25/558647525.db2.gz WJDOWPGAKRUIOP-MAUKXSAKSA-N 0 0 421.519 0.426 50 0 HCAARN CCn1c2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2nc(C)c1=O ZINC000014246529 558647502 /nfs/dbraw/zinc/64/75/02/558647502.db2.gz NWOWMYFICDVLPC-MRXNPFEDSA-N 0 0 418.519 0.670 50 0 HCAARN CCn1c2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2nc(C)c1=O ZINC000014246530 558647567 /nfs/dbraw/zinc/64/75/67/558647567.db2.gz NWOWMYFICDVLPC-INIZCTEOSA-N 0 0 418.519 0.670 50 0 HCAARN CCN(C(=O)[C@@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000014246753 558647823 /nfs/dbraw/zinc/64/78/23/558647823.db2.gz NWUWCWUMCMAMGN-CHWSQXEVSA-N 0 0 414.480 0.999 50 0 HCAARN CCN(C(=O)[C@@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000014246754 558647756 /nfs/dbraw/zinc/64/77/56/558647756.db2.gz NWUWCWUMCMAMGN-OLZOCXBDSA-N 0 0 414.480 0.999 50 0 HCAARN CCN(C(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000014246755 558647839 /nfs/dbraw/zinc/64/78/39/558647839.db2.gz NWUWCWUMCMAMGN-QWHCGFSZSA-N 0 0 414.480 0.999 50 0 HCAARN CCN(C(=O)[C@H](C)OC(=O)c1[nH]c(C)c(C(=O)OC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000014246756 558647759 /nfs/dbraw/zinc/64/77/59/558647759.db2.gz NWUWCWUMCMAMGN-STQMWFEESA-N 0 0 414.480 0.999 50 0 HCAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000014246990 559161765 /nfs/dbraw/zinc/16/17/65/559161765.db2.gz SCMYWNMUYVXJFN-GFCCVEGCSA-N 0 0 408.480 0.718 50 0 HCAARN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000014246991 559161777 /nfs/dbraw/zinc/16/17/77/559161777.db2.gz SCMYWNMUYVXJFN-LBPRGKRZSA-N 0 0 408.480 0.718 50 0 HCAARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000014247008 558648038 /nfs/dbraw/zinc/64/80/38/558648038.db2.gz SZWPWSSDFYMCBZ-IIFATDLDSA-N 0 0 402.495 0.862 50 0 HCAARN 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HCAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000015936480 569023417 /nfs/dbraw/zinc/02/34/17/569023417.db2.gz ZJBPYAZCOYWQJN-UHFFFAOYSA-N 0 0 407.452 0.501 50 0 HCAARN Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000015941497 569024204 /nfs/dbraw/zinc/02/42/04/569024204.db2.gz ZHNDTVVVSUSOET-UHFFFAOYSA-N 0 0 403.457 0.897 50 0 HCAARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(c2ncccn2)CC1 ZINC000015952099 558763922 /nfs/dbraw/zinc/76/39/22/558763922.db2.gz KZTHAVHWJFQNQM-UHFFFAOYSA-N 0 0 418.479 0.493 50 0 HCAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CO)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015956804 569024566 /nfs/dbraw/zinc/02/45/66/569024566.db2.gz VKBWSBBIPSRJLV-QLDGJZPUSA-N 0 0 421.409 0.529 50 0 biogenic HCAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CO)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000015956805 569024524 /nfs/dbraw/zinc/02/45/24/569024524.db2.gz VKBWSBBIPSRJLV-SUWCGCSTSA-N 0 0 421.409 0.529 50 0 biogenic HCAARN 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/nfs/dbraw/zinc/02/47/72/569024772.db2.gz KEGUYSHCKXWNRV-AVWHDBODSA-N 0 0 421.453 0.997 50 0 biogenic HCAARN NC(=O)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015967722 569025150 /nfs/dbraw/zinc/02/51/50/569025150.db2.gz RIIUXTNKHKPOJU-FAODYONGSA-N 0 0 418.453 0.525 50 0 biogenic HCAARN NC(=O)C[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967724 569025158 /nfs/dbraw/zinc/02/51/58/569025158.db2.gz RIIUXTNKHKPOJU-NZQNYPKQSA-N 0 0 418.453 0.525 50 0 biogenic HCAARN NC(=O)C[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015967726 569025189 /nfs/dbraw/zinc/02/51/89/569025189.db2.gz RIIUXTNKHKPOJU-QYUDBREXSA-N 0 0 418.453 0.525 50 0 biogenic HCAARN NC(=O)C[C@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015967728 569025165 /nfs/dbraw/zinc/02/51/65/569025165.db2.gz RIIUXTNKHKPOJU-YQYRJILISA-N 0 0 418.453 0.525 50 0 biogenic HCAARN C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000015972417 569025216 /nfs/dbraw/zinc/02/52/16/569025216.db2.gz XTSASCMQZOCONU-FYZYVJBLSA-N 0 0 419.865 0.620 50 0 HCAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016009992 558766439 /nfs/dbraw/zinc/76/64/39/558766439.db2.gz KYLWLGZNACBZMK-PBWVOLNLSA-N 0 0 422.416 0.622 50 0 HCAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016009993 558766460 /nfs/dbraw/zinc/76/64/60/558766460.db2.gz KYLWLGZNACBZMK-XNGFIGEISA-N 0 0 422.416 0.622 50 0 HCAARN NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016009994 558766550 /nfs/dbraw/zinc/76/65/50/558766550.db2.gz KYLWLGZNACBZMK-KANGHSEISA-N 0 0 422.416 0.622 50 0 HCAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016009995 558766561 /nfs/dbraw/zinc/76/65/61/558766561.db2.gz KYLWLGZNACBZMK-YDGKCNFYSA-N 0 0 422.416 0.622 50 0 HCAARN NC(=O)C[C@H]1N[C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016010156 558766469 /nfs/dbraw/zinc/76/64/69/558766469.db2.gz FWQYJAVYYNVLII-FKRHRZSBSA-N 0 0 414.437 0.754 50 0 HCAARN NC(=O)C[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016010157 558766576 /nfs/dbraw/zinc/76/65/76/558766576.db2.gz FWQYJAVYYNVLII-RACNMONISA-N 0 0 414.437 0.754 50 0 HCAARN Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c(=O)n2C ZINC000016014334 558766860 /nfs/dbraw/zinc/76/68/60/558766860.db2.gz WSDXBHSJONTVDJ-UHFFFAOYSA-N 0 0 424.461 0.699 50 0 HCAARN COCCNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(C)C ZINC000016020319 569025811 /nfs/dbraw/zinc/02/58/11/569025811.db2.gz AXJDHMBKILOISI-IFXJQAMLSA-N 0 0 419.478 0.714 50 0 HCAARN COCCNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(C)C ZINC000016020320 569025758 /nfs/dbraw/zinc/02/57/58/569025758.db2.gz AXJDHMBKILOISI-AUUYWEPGSA-N 0 0 419.478 0.714 50 0 HCAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cc(Cl)ccc2NC1=O ZINC000016021932 558767545 /nfs/dbraw/zinc/76/75/45/558767545.db2.gz GEAYXWNVVBANEQ-IBWPGLOJSA-N 0 0 404.854 0.736 50 0 HCAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2cc(Cl)ccc2NC1=O ZINC000016021933 558767615 /nfs/dbraw/zinc/76/76/15/558767615.db2.gz GEAYXWNVVBANEQ-WGDDSDEBSA-N 0 0 404.854 0.736 50 0 HCAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(=O)[O-])[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016022032 558767552 /nfs/dbraw/zinc/76/75/52/558767552.db2.gz KBJRHRPLUSQZCI-IBWPGLOJSA-N 0 0 421.837 0.572 50 0 HCAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(=O)[O-])[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016022033 558767649 /nfs/dbraw/zinc/76/76/49/558767649.db2.gz KBJRHRPLUSQZCI-WGDDSDEBSA-N 0 0 421.837 0.572 50 0 HCAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cc(Cl)ccc2NC1=O ZINC000016022041 558767653 /nfs/dbraw/zinc/76/76/53/558767653.db2.gz SONQNSLMKKPGAD-UBXMYJPPSA-N 0 0 404.854 0.734 50 0 HCAARN COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)N[C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000016022287 558768106 /nfs/dbraw/zinc/76/81/06/558768106.db2.gz ZIKUXWQTHPHBQZ-MGYNZIJRSA-N 0 0 407.854 0.396 50 0 HCAARN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cc(Cl)ccc2NC1=O ZINC000016024521 558768722 /nfs/dbraw/zinc/76/87/22/558768722.db2.gz KKYUQXKXRJZWTJ-IPJQRFBASA-N 0 0 404.854 0.734 50 0 HCAARN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2cc(Cl)ccc2NC1=O ZINC000016024523 558768729 /nfs/dbraw/zinc/76/87/29/558768729.db2.gz KKYUQXKXRJZWTJ-PRKYJLDLSA-N 0 0 404.854 0.734 50 0 HCAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cccc(Cl)c2NC1=O ZINC000016024555 558768619 /nfs/dbraw/zinc/76/86/19/558768619.db2.gz LAUFNGNNYBIUML-IPJQRFBASA-N 0 0 404.854 0.736 50 0 HCAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2cccc(Cl)c2NC1=O ZINC000016024557 558768595 /nfs/dbraw/zinc/76/85/95/558768595.db2.gz LAUFNGNNYBIUML-PRKYJLDLSA-N 0 0 404.854 0.736 50 0 HCAARN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cccc(Cl)c2NC1=O ZINC000016025005 558768778 /nfs/dbraw/zinc/76/87/78/558768778.db2.gz LJLWNJCMIKDALK-SFIKBLTFSA-N 0 0 404.854 0.734 50 0 HCAARN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)N[C@@]21c2cccc(Cl)c2NC1=O ZINC000016025007 558768880 /nfs/dbraw/zinc/76/88/80/558768880.db2.gz LJLWNJCMIKDALK-FWXAJUPQSA-N 0 0 404.854 0.734 50 0 HCAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)N[C@@]21c2cccc(Cl)c2NC1=O ZINC000016025120 558768815 /nfs/dbraw/zinc/76/88/15/558768815.db2.gz HHTCIHQHRFGUNL-CQDCXQBXSA-N 0 0 404.854 0.734 50 0 HCAARN O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)NCCCN1CCOCC1 ZINC000016027883 560654400 /nfs/dbraw/zinc/65/44/00/560654400.db2.gz NTJDNXBMUSYIBK-ZWKOTPCHSA-N 0 0 416.522 0.413 50 0 biogenic HCAARN NC(=O)C[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016032867 569027938 /nfs/dbraw/zinc/02/79/38/569027938.db2.gz PPQFMAIYOKGXHV-PBWVOLNLSA-N 0 0 404.426 0.483 50 0 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/nfs/dbraw/zinc/40/06/37/558400637.db2.gz SREYIZGYFJEWGL-UHFFFAOYSA-N 0 0 402.499 0.899 50 0 HCAARN Cn1c2nc3n(c2c(=O)n(CCN2CCOCC2)c1=O)CCCN3C1CCCCC1 ZINC000020683250 558400631 /nfs/dbraw/zinc/40/06/31/558400631.db2.gz RPELOXVZNWKIFY-UHFFFAOYSA-N 0 0 416.526 0.772 50 0 HCAARN Cn1c2nc3n(c2c(=O)n(CCN2CCOCC2)c1=O)CCCN3Cc1ccco1 ZINC000020683561 558400681 /nfs/dbraw/zinc/40/06/81/558400681.db2.gz LEZXCONFOACTJH-UHFFFAOYSA-N 0 0 414.466 0.232 50 0 HCAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCOCC3)C2)C1 ZINC000020687693 568640267 /nfs/dbraw/zinc/64/02/67/568640267.db2.gz HNFPKMGFWCWFKN-KZNAEPCWSA-N 0 0 416.588 0.370 50 0 HCAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCOCC3)C2)C1 ZINC000020687698 568640310 /nfs/dbraw/zinc/64/03/10/568640310.db2.gz HNFPKMGFWCWFKN-FGTMMUONSA-N 0 0 416.588 0.370 50 0 HCAARN COc1ccccc1CC(=O)N1CCC(C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000020714576 558400922 /nfs/dbraw/zinc/40/09/22/558400922.db2.gz VQJRMTFSAKDGID-UHFFFAOYSA-N 0 0 423.535 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558402008 /nfs/dbraw/zinc/40/20/08/558402008.db2.gz WAJVGDRFUDJFMK-SFHVURJKSA-N 0 0 416.503 0.527 50 0 HCAARN COc1ccc(CCN2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1OC ZINC000020718444 558402079 /nfs/dbraw/zinc/40/20/79/558402079.db2.gz IZZAPSNXWCYNOG-INIZCTEOSA-N 0 0 403.479 0.819 50 0 HCAARN COc1ccc(CCN2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1OC ZINC000020718449 558402025 /nfs/dbraw/zinc/40/20/25/558402025.db2.gz IZZAPSNXWCYNOG-MRXNPFEDSA-N 0 0 403.479 0.819 50 0 HCAARN NC(=O)C1CCN(C(=O)CC[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 ZINC000020718621 558402298 /nfs/dbraw/zinc/40/22/98/558402298.db2.gz SWXUVXUEQNLRHH-AWEZNQCLSA-N 0 0 416.434 0.340 50 0 HCAARN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N[C@@H]1CCS(=O)(=O)C1 ZINC000020721176 558402690 /nfs/dbraw/zinc/40/26/90/558402690.db2.gz LUKNIVWFHNPEKG-CYBMUJFWSA-N 0 0 404.492 0.929 50 0 biogenic HCAARN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N[C@H]1CCS(=O)(=O)C1 ZINC000020721179 558402722 /nfs/dbraw/zinc/40/27/22/558402722.db2.gz LUKNIVWFHNPEKG-ZDUSSCGKSA-N 0 0 404.492 0.929 50 0 biogenic HCAARN O=C(C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCCC1 ZINC000020721483 558402977 /nfs/dbraw/zinc/40/29/77/558402977.db2.gz UIZBZSCEKUHKTM-UHFFFAOYSA-N 0 0 409.493 0.147 50 0 HCAARN CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000020722485 558403467 /nfs/dbraw/zinc/40/34/67/558403467.db2.gz NQXOHTOVVPBNNF-AWEZNQCLSA-N 0 0 403.435 0.282 50 0 HCAARN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000020722488 558403506 /nfs/dbraw/zinc/40/35/06/558403506.db2.gz NQXOHTOVVPBNNF-CQSZACIVSA-N 0 0 403.435 0.282 50 0 HCAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000020723049 558403618 /nfs/dbraw/zinc/40/36/18/558403618.db2.gz OXZMGWVZXIEGGA-IBGZPJMESA-N 0 0 404.442 0.909 50 0 HCAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000020723052 558403687 /nfs/dbraw/zinc/40/36/87/558403687.db2.gz OXZMGWVZXIEGGA-LJQANCHMSA-N 0 0 404.442 0.909 50 0 HCAARN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1 ZINC000020723411 558403954 /nfs/dbraw/zinc/40/39/54/558403954.db2.gz BRYUCFHSOGHZMC-UHFFFAOYSA-N 0 0 422.463 0.420 50 0 HCAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2 ZINC000020723840 568640632 /nfs/dbraw/zinc/64/06/32/568640632.db2.gz ULAAWFQDYJKGMG-FQEVSTJZSA-N 0 0 420.535 0.841 50 0 HCAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2 ZINC000020723845 568640637 /nfs/dbraw/zinc/64/06/37/568640637.db2.gz ULAAWFQDYJKGMG-HXUWFJFHSA-N 0 0 420.535 0.841 50 0 HCAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000020725992 558404716 /nfs/dbraw/zinc/40/47/16/558404716.db2.gz VQMZMBSEVZQZDL-ZBFHGGJFSA-N 0 0 417.553 0.483 50 0 HCAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000020725997 558404739 /nfs/dbraw/zinc/40/47/39/558404739.db2.gz VQMZMBSEVZQZDL-HOCLYGCPSA-N 0 0 417.553 0.483 50 0 HCAARN CS(=O)(=O)N1CCN(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 ZINC000020727647 558405407 /nfs/dbraw/zinc/40/54/07/558405407.db2.gz KUGQMXMMPGHDEG-AWEZNQCLSA-N 0 0 422.503 0.599 50 0 HCAARN CCOC(=O)N1CCN(C(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)CC1 ZINC000020733742 558407271 /nfs/dbraw/zinc/40/72/71/558407271.db2.gz LPINLNCGKZQWKP-UHFFFAOYSA-N 0 0 404.423 0.714 50 0 HCAARN Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000020734271 558407399 /nfs/dbraw/zinc/40/73/99/558407399.db2.gz IZTNJWWVVMDCCR-UHFFFAOYSA-N 0 0 406.464 0.089 50 0 HCAARN CS(=O)(=O)N1CCN(C(=O)CCC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000020736453 558407957 /nfs/dbraw/zinc/40/79/57/558407957.db2.gz CJBYJXLXGBDHMO-UHFFFAOYSA-N 0 0 406.508 0.711 50 0 HCAARN CS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000020737092 558408132 /nfs/dbraw/zinc/40/81/32/558408132.db2.gz MDGTWGFRNVXCQT-UHFFFAOYSA-N 0 0 408.524 0.219 50 0 HCAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)NC1CC1 ZINC000020737951 558408356 /nfs/dbraw/zinc/40/83/56/558408356.db2.gz IUDJEQFVAJNPJU-UHFFFAOYSA-N 0 0 423.520 0.583 50 0 HCAARN COc1ccc2c(ccn2CC(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000020738182 568641131 /nfs/dbraw/zinc/64/11/31/568641131.db2.gz CROJWZSXVSGOFA-UHFFFAOYSA-N 0 0 413.522 0.568 50 0 HCAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)cc1 ZINC000020738918 558408654 /nfs/dbraw/zinc/40/86/54/558408654.db2.gz QAYODWQDOMDXII-UHFFFAOYSA-N 0 0 422.463 0.420 50 0 HCAARN COc1cc([C@@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(Br)c1O ZINC000020739816 558409070 /nfs/dbraw/zinc/40/90/70/558409070.db2.gz JJSQSAMWGFWBIM-JTQLQIEISA-N 0 0 411.212 0.785 50 0 HCAARN COc1cc([C@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(Br)c1O ZINC000020739820 558409007 /nfs/dbraw/zinc/40/90/07/558409007.db2.gz JJSQSAMWGFWBIM-SNVBAGLBSA-N 0 0 411.212 0.785 50 0 HCAARN CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 ZINC000020744350 558409004 /nfs/dbraw/zinc/40/90/04/558409004.db2.gz GFGLEENXUVUFFZ-ZDUSSCGKSA-N 0 0 407.854 0.927 50 0 HCAARN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 ZINC000020744351 558409078 /nfs/dbraw/zinc/40/90/78/558409078.db2.gz GFGLEENXUVUFFZ-CYBMUJFWSA-N 0 0 407.854 0.927 50 0 HCAARN COCCNC(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1 ZINC000020744618 558409222 /nfs/dbraw/zinc/40/92/22/558409222.db2.gz SWFDUZRMOXEXCU-LJQANCHMSA-N 0 0 404.467 0.682 50 0 HCAARN COCCNC(=O)CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1 ZINC000020744619 558409267 /nfs/dbraw/zinc/40/92/67/558409267.db2.gz SWFDUZRMOXEXCU-IBGZPJMESA-N 0 0 404.467 0.682 50 0 HCAARN COc1cc2ncn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC ZINC000020745290 558409952 /nfs/dbraw/zinc/40/99/52/558409952.db2.gz WZCKEHCGMQZHOZ-UHFFFAOYSA-N 0 0 418.431 0.700 50 0 HCAARN CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000020745426 558410142 /nfs/dbraw/zinc/41/01/42/558410142.db2.gz LNEMRFSLYGQRQZ-OAHLLOKOSA-N 0 0 415.537 0.191 50 0 HCAARN CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000020745427 558410048 /nfs/dbraw/zinc/41/00/48/558410048.db2.gz 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/nfs/dbraw/zinc/65/65/11/568656511.db2.gz MSBIHOUOHJVLCF-UHFFFAOYSA-N 0 0 408.436 0.329 50 0 HCAARN CSc1ccc(CCNC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000020994694 568656401 /nfs/dbraw/zinc/65/64/01/568656401.db2.gz VSXJJYPLSWEBAK-UHFFFAOYSA-N 0 0 424.548 0.985 50 0 HCAARN Cc1cccc(CN2CCN(C(=O)CCn3nnnc3CN3CCOCC3)CC2)c1 ZINC000020995387 558426860 /nfs/dbraw/zinc/42/68/60/558426860.db2.gz YEHFEDQKPWNMKB-UHFFFAOYSA-N 0 0 413.526 0.548 50 0 HCAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)CCCn1nnnc1CN1CCOCC1 ZINC000020996638 558427094 /nfs/dbraw/zinc/42/70/94/558427094.db2.gz PIXGORLDOZRVRC-INIZCTEOSA-N 0 0 408.503 0.620 50 0 HCAARN CCOC(=O)C[C@H]1CCCCN1C(=O)CCCn1nnnc1CN1CCOCC1 ZINC000020996640 558426986 /nfs/dbraw/zinc/42/69/86/558426986.db2.gz PIXGORLDOZRVRC-MRXNPFEDSA-N 0 0 408.503 0.620 50 0 HCAARN C[C@@H]1CN(Cc2nnnn2CC(=O)NCCCn2ncc3ccccc32)C[C@H](C)O1 ZINC000020997759 558427141 /nfs/dbraw/zinc/42/71/41/558427141.db2.gz IUXPIRLCCVYMTG-IYBDPMFKSA-N 0 0 412.498 0.839 50 0 HCAARN 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/nfs/dbraw/zinc/60/79/01/558607901.db2.gz KFVAZUDAUGJMPB-UHFFFAOYSA-N 0 0 412.581 0.724 50 0 HCAARN CN1CCN(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3Cl)CC2)CC1 ZINC000024696581 568456831 /nfs/dbraw/zinc/45/68/31/568456831.db2.gz YZYZHFKPXNNIJO-UHFFFAOYSA-N 0 0 414.959 0.909 50 0 HCAARN CN(C)C(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000024712154 568457767 /nfs/dbraw/zinc/45/77/67/568457767.db2.gz PPQMUDAUGMPXRG-UHFFFAOYSA-N 0 0 422.551 0.707 50 0 HCAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1 ZINC000024712185 558608374 /nfs/dbraw/zinc/60/83/74/558608374.db2.gz JXDJNCGKKZIPFP-UHFFFAOYSA-N 0 0 424.567 0.953 50 0 HCAARN CNS(=O)(=O)c1cc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)cc(C)c1C ZINC000024712411 558608426 /nfs/dbraw/zinc/60/84/26/558608426.db2.gz UUUCMBKIRLSZSM-UHFFFAOYSA-N 0 0 410.540 0.448 50 0 HCAARN COCCCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)n[nH]c1=O ZINC000024715479 558608619 /nfs/dbraw/zinc/60/86/19/558608619.db2.gz CMRZBUGLVKSIQP-UHFFFAOYSA-N 0 0 411.509 0.988 50 0 HCAARN CNS(=O)(=O)Cc1ccc(CNC(=O)CNC(=O)NCc2ccccc2)cc1 ZINC000024716392 558608652 /nfs/dbraw/zinc/60/86/52/558608652.db2.gz DRUFVFCTQAPATE-UHFFFAOYSA-N 0 0 404.492 0.851 50 0 HCAARN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(C(=O)NC3CCCCC3)CC2)C1=O ZINC000024745581 558609497 /nfs/dbraw/zinc/60/94/97/558609497.db2.gz DXGUECOGSJBVPK-FQEVSTJZSA-N 0 0 405.499 0.893 50 0 HCAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(C(=O)NC3CCCCC3)CC2)C1=O ZINC000024745586 558609505 /nfs/dbraw/zinc/60/95/05/558609505.db2.gz DXGUECOGSJBVPK-HXUWFJFHSA-N 0 0 405.499 0.893 50 0 HCAARN COc1ccccc1CNC(=O)CCn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000024751047 568461311 /nfs/dbraw/zinc/46/13/11/568461311.db2.gz ISXDQIZXEJXLGN-UHFFFAOYSA-N 0 0 405.432 0.957 50 0 HCAARN C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc2c(c1)OCCO2 ZINC000024751962 558609956 /nfs/dbraw/zinc/60/99/56/558609956.db2.gz VFJGOSLZTIZEMG-TZMCWYRMSA-N 0 0 421.475 0.801 50 0 HCAARN C[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc2c(c1)OCCO2 ZINC000024751967 558609982 /nfs/dbraw/zinc/60/99/82/558609982.db2.gz VFJGOSLZTIZEMG-GXTWGEPZSA-N 0 0 421.475 0.801 50 0 HCAARN C[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc2c(c1)OCCO2 ZINC000024751971 558610175 /nfs/dbraw/zinc/61/01/75/558610175.db2.gz VFJGOSLZTIZEMG-OCCSQVGLSA-N 0 0 421.475 0.801 50 0 HCAARN C[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc2c(c1)OCCO2 ZINC000024751976 558610156 /nfs/dbraw/zinc/61/01/56/558610156.db2.gz VFJGOSLZTIZEMG-JSGCOSHPSA-N 0 0 421.475 0.801 50 0 HCAARN CC(=O)Nc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000024753040 519728860 /nfs/dbraw/zinc/72/88/60/519728860.db2.gz BWTQVRSHCWXEKV-UHFFFAOYSA-N 0 0 417.443 0.985 50 0 HCAARN C[C@@H](OC(=O)c1cccnc1N)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000024755520 558610374 /nfs/dbraw/zinc/61/03/74/558610374.db2.gz JUPIXGMFZWDPPA-CQSZACIVSA-N 0 0 418.475 0.742 50 0 HCAARN C[C@H](OC(=O)c1cccnc1N)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000024755525 558610386 /nfs/dbraw/zinc/61/03/86/558610386.db2.gz JUPIXGMFZWDPPA-AWEZNQCLSA-N 0 0 418.475 0.742 50 0 HCAARN Cn1cc(S(=O)(=O)N2CCN(c3ncnc4ccsc43)CC2)cc1C(N)=O ZINC000024758578 558610816 /nfs/dbraw/zinc/61/08/16/558610816.db2.gz TYENWNPQUSKDDO-UHFFFAOYSA-N 0 0 406.493 0.640 50 0 HCAARN COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)ccn1 ZINC000024758830 558610787 /nfs/dbraw/zinc/61/07/87/558610787.db2.gz GYVSCWXACIFLQU-UHFFFAOYSA-N 0 0 404.448 0.141 50 0 HCAARN CCOc1ccc(OCCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000024760806 521175008 /nfs/dbraw/zinc/17/50/08/521175008.db2.gz AZBCATWBNILLFH-CQSZACIVSA-N 0 0 423.491 0.746 50 0 HCAARN CCOc1ccc(OCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000024760814 521175026 /nfs/dbraw/zinc/17/50/26/521175026.db2.gz AZBCATWBNILLFH-AWEZNQCLSA-N 0 0 423.491 0.746 50 0 HCAARN CON(C)S(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 ZINC000024763461 558611262 /nfs/dbraw/zinc/61/12/62/558611262.db2.gz BQXNJQTYWRRFIV-UHFFFAOYSA-N 0 0 403.420 0.612 50 0 HCAARN CC[C@@H](C)N(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000024772245 558612031 /nfs/dbraw/zinc/61/20/31/558612031.db2.gz SIYVHWUQQQEBQB-TZMCWYRMSA-N 0 0 423.495 0.712 50 0 HCAARN CC[C@H](C)N(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000024772252 558612005 /nfs/dbraw/zinc/61/20/05/558612005.db2.gz SIYVHWUQQQEBQB-GXTWGEPZSA-N 0 0 423.495 0.712 50 0 HCAARN CC[C@@H](C)N(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)[C@H]1CCS(=O)(=O)C1 ZINC000024772260 558611971 /nfs/dbraw/zinc/61/19/71/558611971.db2.gz SIYVHWUQQQEBQB-OCCSQVGLSA-N 0 0 423.495 0.712 50 0 HCAARN CC[C@H](C)N(C(=O)COC(=O)c1nc2nc(C)cc(C)n2n1)[C@H]1CCS(=O)(=O)C1 ZINC000024772267 558612063 /nfs/dbraw/zinc/61/20/63/558612063.db2.gz SIYVHWUQQQEBQB-JSGCOSHPSA-N 0 0 423.495 0.712 50 0 HCAARN O=C(Cn1cnc2sccc2c1=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024776189 558612391 /nfs/dbraw/zinc/61/23/91/558612391.db2.gz DHALKXQVHFBEIN-UHFFFAOYSA-N 0 0 422.474 0.783 50 0 HCAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000024777877 558612596 /nfs/dbraw/zinc/61/25/96/558612596.db2.gz YQVHFVIHNYBGBJ-SFHVURJKSA-N 0 0 406.508 0.709 50 0 HCAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000024777881 558612692 /nfs/dbraw/zinc/61/26/92/558612692.db2.gz YQVHFVIHNYBGBJ-GOSISDBHSA-N 0 0 406.508 0.709 50 0 HCAARN O=C(c1cc2c([nH]c1=O)CCCC2=O)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024778557 558612838 /nfs/dbraw/zinc/61/28/38/558612838.db2.gz RJXMPZQVTUCGQB-UHFFFAOYSA-N 0 0 419.445 0.832 50 0 HCAARN O=C(CN1CCOCC1)N1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 ZINC000024800865 558613292 /nfs/dbraw/zinc/61/32/92/558613292.db2.gz RHQDWNMYJSQNRO-UHFFFAOYSA-N 0 0 410.478 0.837 50 0 HCAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000024829183 558614353 /nfs/dbraw/zinc/61/43/53/558614353.db2.gz BGWSOONIQPXKIB-OLZOCXBDSA-N 0 0 401.514 0.122 50 0 HCAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000024829186 558614292 /nfs/dbraw/zinc/61/42/92/558614292.db2.gz BGWSOONIQPXKIB-CHWSQXEVSA-N 0 0 401.514 0.122 50 0 HCAARN O=C(CSc1nnnn1C[C@@H]1CCCO1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000024829189 558614256 /nfs/dbraw/zinc/61/42/56/558614256.db2.gz BGWSOONIQPXKIB-STQMWFEESA-N 0 0 401.514 0.122 50 0 HCAARN O=C(CSc1nnnn1C[C@H]1CCCO1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000024829193 558614266 /nfs/dbraw/zinc/61/42/66/558614266.db2.gz BGWSOONIQPXKIB-QWHCGFSZSA-N 0 0 401.514 0.122 50 0 HCAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N1CCCc2cccc(F)c21 ZINC000024831028 558614948 /nfs/dbraw/zinc/61/49/48/558614948.db2.gz CODZXITUADCLKN-OAHLLOKOSA-N 0 0 411.499 0.730 50 0 HCAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N1CCCc2cccc(F)c21 ZINC000024831031 558614956 /nfs/dbraw/zinc/61/49/56/558614956.db2.gz CODZXITUADCLKN-HNNXBMFYSA-N 0 0 411.499 0.730 50 0 HCAARN COC(=O)c1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccco3)CC2)cc1 ZINC000024833033 558615409 /nfs/dbraw/zinc/61/54/09/558615409.db2.gz ARMOGCXDVHXYAE-UHFFFAOYSA-N 0 0 421.475 0.803 50 0 HCAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000024859882 568472812 /nfs/dbraw/zinc/47/28/12/568472812.db2.gz BDXYROUMUHBHHQ-NVXWUHKLSA-N 0 0 419.503 0.897 50 0 HCAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000024859884 568472770 /nfs/dbraw/zinc/47/27/70/568472770.db2.gz BDXYROUMUHBHHQ-DOTOQJQBSA-N 0 0 419.503 0.897 50 0 HCAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000024859886 568472764 /nfs/dbraw/zinc/47/27/64/568472764.db2.gz BDXYROUMUHBHHQ-WBVHZDCISA-N 0 0 419.503 0.897 50 0 HCAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000024859888 568472775 /nfs/dbraw/zinc/47/27/75/568472775.db2.gz BDXYROUMUHBHHQ-RDJZCZTQSA-N 0 0 419.503 0.897 50 0 HCAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000024860191 558617663 /nfs/dbraw/zinc/61/76/63/558617663.db2.gz XRGFSNHNAQGOEW-LSDHHAIUSA-N 0 0 407.492 0.394 50 0 HCAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000024860193 558617682 /nfs/dbraw/zinc/61/76/82/558617682.db2.gz XRGFSNHNAQGOEW-HUUCEWRRSA-N 0 0 407.492 0.394 50 0 HCAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000024860195 558617562 /nfs/dbraw/zinc/61/75/62/558617562.db2.gz XRGFSNHNAQGOEW-GJZGRUSLSA-N 0 0 407.492 0.394 50 0 HCAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000024860198 558617922 /nfs/dbraw/zinc/61/79/22/558617922.db2.gz XRGFSNHNAQGOEW-CABCVRRESA-N 0 0 407.492 0.394 50 0 HCAARN O=C(NN1CC(=O)NC1=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000024862412 558617932 /nfs/dbraw/zinc/61/79/32/558617932.db2.gz WDYZPTLLIQEWKT-UHFFFAOYSA-N 0 0 408.461 0.466 50 0 HCAARN Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O ZINC000024864735 558618090 /nfs/dbraw/zinc/61/80/90/558618090.db2.gz YPNBYPYMTLSXES-HOTGVXAUSA-N 0 0 405.451 0.212 50 0 HCAARN Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O 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O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000036329861 569139346 /nfs/dbraw/zinc/13/93/46/569139346.db2.gz SUIBCXNALHMFNB-UHFFFAOYSA-N 0 0 415.475 0.801 50 0 HCAARN NC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000036329935 569139349 /nfs/dbraw/zinc/13/93/49/569139349.db2.gz GYPPAEDRWHJZFA-UHFFFAOYSA-N 0 0 402.476 0.731 50 0 HCAARN CCCn1c(N)c(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(=O)n(C)c1=O ZINC000036329946 569139308 /nfs/dbraw/zinc/13/93/08/569139308.db2.gz BLMWNBOEYREHNM-UHFFFAOYSA-N 0 0 412.450 0.090 50 0 HCAARN COCCNC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000036353368 569147673 /nfs/dbraw/zinc/14/76/73/569147673.db2.gz GSYPXTZATYCYTH-INIZCTEOSA-N 0 0 411.524 0.626 50 0 HCAARN COCCNC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000036353370 569147681 /nfs/dbraw/zinc/14/76/81/569147681.db2.gz GSYPXTZATYCYTH-MRXNPFEDSA-N 0 0 411.524 0.626 50 0 HCAARN O=C(CNC(=O)Cn1nnc2ccccc2c1=O)NCCc1c[nH]c2ccccc12 ZINC000036354450 569148064 /nfs/dbraw/zinc/14/80/64/569148064.db2.gz IPSKLUQVLNYQSA-UHFFFAOYSA-N 0 0 404.430 0.748 50 0 HCAARN COc1ccc(CNC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc1OC ZINC000036354986 569148200 /nfs/dbraw/zinc/14/82/00/569148200.db2.gz OSQWJNYMKDUJJJ-UHFFFAOYSA-N 0 0 410.430 0.846 50 0 HCAARN O=C(NCCCN1CCOCC1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000036356901 569148434 /nfs/dbraw/zinc/14/84/34/569148434.db2.gz GBYAEQTUSXMIRX-UHFFFAOYSA-N 0 0 410.496 0.004 50 0 HCAARN NC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000036357068 569148684 /nfs/dbraw/zinc/14/86/84/569148684.db2.gz DOGRYCGQVAGEGI-INIZCTEOSA-N 0 0 416.459 0.303 50 0 HCAARN NC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2S(=O)(=O)c2ccccc2)cc1 ZINC000036357069 569148682 /nfs/dbraw/zinc/14/86/82/569148682.db2.gz DOGRYCGQVAGEGI-MRXNPFEDSA-N 0 0 416.459 0.303 50 0 HCAARN COC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036357194 569148801 /nfs/dbraw/zinc/14/88/01/569148801.db2.gz IDAFZTBVNOCVED-CYBMUJFWSA-N 0 0 409.464 0.113 50 0 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569150697 /nfs/dbraw/zinc/15/06/97/569150697.db2.gz GNUCCZTYVZMPTG-MRXNPFEDSA-N 0 0 422.894 0.931 50 0 HCAARN O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 ZINC000036359241 569150676 /nfs/dbraw/zinc/15/06/76/569150676.db2.gz GNUCCZTYVZMPTG-INIZCTEOSA-N 0 0 422.894 0.931 50 0 HCAARN Cc1cc(C)n(CCNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)n1 ZINC000036359911 569151716 /nfs/dbraw/zinc/15/17/16/569151716.db2.gz RVVWWMKKCSJDLN-UHFFFAOYSA-N 0 0 405.480 0.795 50 0 HCAARN CCOC(=O)c1ccc(N2C[C@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC2=O)cc1 ZINC000036360444 569151463 /nfs/dbraw/zinc/15/14/63/569151463.db2.gz CZVYYCKNWBSLBP-OAHLLOKOSA-N 0 0 423.491 0.320 50 0 HCAARN CCOC(=O)c1ccc(N2C[C@@H](C(=O)N3CCN(S(C)(=O)=O)CC3)CC2=O)cc1 ZINC000036360445 569151509 /nfs/dbraw/zinc/15/15/09/569151509.db2.gz CZVYYCKNWBSLBP-HNNXBMFYSA-N 0 0 423.491 0.320 50 0 HCAARN CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)C1=O ZINC000036364777 569152117 /nfs/dbraw/zinc/15/21/17/569152117.db2.gz YYCMAQGTTVFPNO-HSZRJFAPSA-N 0 0 406.486 0.797 50 0 HCAARN CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)C1=O ZINC000036364779 569152083 /nfs/dbraw/zinc/15/20/83/569152083.db2.gz YYCMAQGTTVFPNO-QHCPKHFHSA-N 0 0 406.486 0.797 50 0 HCAARN CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 ZINC000036364836 569152046 /nfs/dbraw/zinc/15/20/46/569152046.db2.gz GSSMEQLXQVKMIA-CQSZACIVSA-N 0 0 422.507 0.014 50 0 HCAARN CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1 ZINC000036364838 569152082 /nfs/dbraw/zinc/15/20/82/569152082.db2.gz GSSMEQLXQVKMIA-AWEZNQCLSA-N 0 0 422.507 0.014 50 0 HCAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)NC2CCCC2)cc1 ZINC000036365159 569152128 /nfs/dbraw/zinc/15/21/28/569152128.db2.gz KLHSDUNVLUJGMH-KRWDZBQOSA-N 0 0 422.507 0.583 50 0 HCAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)NC2CCCC2)cc1 ZINC000036365161 569152155 /nfs/dbraw/zinc/15/21/55/569152155.db2.gz KLHSDUNVLUJGMH-QGZVFWFLSA-N 0 0 422.507 0.583 50 0 HCAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)N2 ZINC000036366235 569152636 /nfs/dbraw/zinc/15/26/36/569152636.db2.gz OBWMWDINMGAHQX-GFCCVEGCSA-N 0 0 405.418 0.929 50 0 HCAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)N2 ZINC000036366237 569152519 /nfs/dbraw/zinc/15/25/19/569152519.db2.gz OBWMWDINMGAHQX-LBPRGKRZSA-N 0 0 405.418 0.929 50 0 HCAARN O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 ZINC000036366278 569152557 /nfs/dbraw/zinc/15/25/57/569152557.db2.gz GJVRTHLXCKWLMB-MRXNPFEDSA-N 0 0 422.894 0.931 50 0 HCAARN O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1 ZINC000036366280 569152635 /nfs/dbraw/zinc/15/26/35/569152635.db2.gz GJVRTHLXCKWLMB-INIZCTEOSA-N 0 0 422.894 0.931 50 0 HCAARN COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NCC(=O)NC(C)C)n1 ZINC000036366584 569152645 /nfs/dbraw/zinc/15/26/45/569152645.db2.gz XCUDCYLQQGPSAR-UHFFFAOYSA-N 0 0 403.395 0.292 50 0 HCAARN CCCCCCn1c(N2CCN(CC(=O)OC)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000036370464 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