smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)c1ccc(NN=C2C=CC(=O)c3ccccc32)cc1 ZINC000017821403 210211076 /nfs/dbraw/zinc/21/10/76/210211076.db2.gz KFMBBMBRVCEKEM-QURGRASLSA-N 0 0 383.473 4.991 50 10 GJCARN C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000015798909 210171173 /nfs/dbraw/zinc/17/11/73/210171173.db2.gz LKLNVJSWQQXHKA-CPOQMQJTSA-N 0 0 393.533 4.838 50 10 GJCARN CN(C)c1ccc(CNC(=O)c2ccc(-n3ccc4ccccc43)s2)cc1 ZINC000015732330 210165851 /nfs/dbraw/zinc/16/58/51/210165851.db2.gz FQSXJMBWDMCKKF-UHFFFAOYSA-N 0 0 375.497 4.688 50 10 GJCARN CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000015016632 210143164 /nfs/dbraw/zinc/14/31/64/210143164.db2.gz RBEZJFFIBUFUQQ-FMQUCBEESA-N 0 0 387.826 4.622 50 10 GJCARN CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1C ZINC000014009897 210099405 /nfs/dbraw/zinc/09/94/05/210099405.db2.gz XMWSFXQAQZPDHN-IUXPMGMMSA-N 0 0 392.286 4.525 50 10 GJCARN O=C1NC(=S)S/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013802243 210092663 /nfs/dbraw/zinc/09/26/63/210092663.db2.gz UBTMRWUYUZADRO-MFOYZWKCSA-N 0 0 384.913 4.832 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000013597774 210070596 /nfs/dbraw/zinc/07/05/96/210070596.db2.gz YSWCYHAARAYDIZ-SXGWCWSVSA-N 0 0 391.901 4.763 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC ZINC000013552974 210066770 /nfs/dbraw/zinc/06/67/70/210066770.db2.gz WHDNZOPWXGZJFL-PDGQHHTCSA-N 0 0 385.510 4.808 50 10 GJCARN O=C1Nc2ccc(F)cc2C1=C1SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000006926378 209708093 /nfs/dbraw/zinc/70/80/93/209708093.db2.gz KYJMJSYQRXBPBS-YPKPFQOOSA-N 0 0 390.848 4.857 50 10 GJCARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[NH+]2CCC(C)CC2)c1[O-] ZINC000002287572 209355329 /nfs/dbraw/zinc/35/53/29/209355329.db2.gz OYYDSUCACYFBFM-UHFFFAOYSA-N 0 0 398.528 4.725 50 10 GJCARN Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1c(C)cccc1C ZINC000002120851 209347838 /nfs/dbraw/zinc/34/78/38/209347838.db2.gz HUCBOPJJDJJVKM-UHFFFAOYSA-N 0 0 393.483 4.855 50 10 GJCARN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000001207293 209314226 /nfs/dbraw/zinc/31/42/26/209314226.db2.gz FVVCXLUNZYTBGH-OQLLNIDSSA-N 0 0 391.290 4.523 50 10 GJCARN COc1cc(Cl)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1O ZINC000001175673 209309847 /nfs/dbraw/zinc/30/98/47/209309847.db2.gz HUZUAVZJTJGLSE-RIYZIHGNSA-N 0 0 383.922 4.588 50 10 GJCARN COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000004258571 204035655 /nfs/dbraw/zinc/03/56/55/204035655.db2.gz NLASSTUTATZQEA-JWGURIENSA-N 0 0 384.435 4.538 50 10 GJCARN O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21)N1CCCC1 ZINC000004950935 204096263 /nfs/dbraw/zinc/09/62/63/204096263.db2.gz YVXGPJAHJFSSKT-WAOWUJCRSA-N 0 0 389.455 4.657 50 10 GJCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000005576122 204141920 /nfs/dbraw/zinc/14/19/20/204141920.db2.gz SYIGDOUWIRGPEQ-PDGQHHTCSA-N 0 0 397.862 4.624 50 10 GJCARN Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1C ZINC000006804330 204208141 /nfs/dbraw/zinc/20/81/41/204208141.db2.gz KPEMJSQKVVYQJX-UHFFFAOYSA-N 0 0 392.499 4.570 50 10 GJCARN COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721721 204194558 /nfs/dbraw/zinc/19/45/58/204194558.db2.gz NAACHQHLZYGKBJ-AUSIDOKSSA-N 0 0 390.414 4.782 50 10 GJCARN C[C@@H]1CCCN(c2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)C1 ZINC000006738010 204197004 /nfs/dbraw/zinc/19/70/04/204197004.db2.gz KNGIDOJYBWMIGM-OAHLLOKOSA-N 0 0 387.483 4.876 50 10 GJCARN O=C1N=C(Nc2ccccc2Br)SC1=CC=Cc1ccco1 ZINC000013811538 204514294 /nfs/dbraw/zinc/51/42/94/204514294.db2.gz GOMBAULBTVDEFW-OXTPFRESSA-N 0 0 375.247 4.681 50 10 GJCARN CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000015240534 204565783 /nfs/dbraw/zinc/56/57/83/204565783.db2.gz QFVKLZGECVOENR-GPMSIDNRSA-N 0 0 397.316 4.977 50 10 GJCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 ZINC000169697255 205832590 /nfs/dbraw/zinc/83/25/90/205832590.db2.gz JXOIIPFRFQUXMS-WOIUINJBSA-N 0 0 389.455 4.657 50 10 GJCARN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000222372226 205978157 /nfs/dbraw/zinc/97/81/57/205978157.db2.gz FAYALEOOHOCRDV-XQBPLPMBSA-N 0 0 391.471 4.903 50 10 GJCARN COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1ncc[nH]1 ZINC000299781086 206189894 /nfs/dbraw/zinc/18/98/94/206189894.db2.gz LGFGIFBDKWDOLJ-HXUWFJFHSA-N 0 0 395.528 4.979 50 10 GJCARN CC(C)c1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 ZINC000004725414 206215522 /nfs/dbraw/zinc/21/55/22/206215522.db2.gz YXBIHIJINYOTMQ-PBOWYIGHSA-N 0 0 388.496 4.672 50 10 GJCARN COc1cc([C@@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)cc(O)c1O ZINC000072405387 211114902 /nfs/dbraw/zinc/11/49/02/211114902.db2.gz PLWYKNVLMODMTA-FQEVSTJZSA-N 0 0 395.484 4.546 50 10 GJCARN O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(C[NH2+]Cc3ccncc3)c2o1 ZINC000020567568 210347967 /nfs/dbraw/zinc/34/79/67/210347967.db2.gz IFBUGLCJOQXGJD-UHFFFAOYSA-N 0 0 392.842 4.504 50 10 GJCARN COc1cccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)c2=O)c1 ZINC000020518592 210343080 /nfs/dbraw/zinc/34/30/80/210343080.db2.gz QNZOGZCTVUHVJK-HNNXBMFYSA-N 0 0 395.455 4.531 50 10 GJCARN COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)s3)CC2)cc1 ZINC000007181519 136195244 /nfs/dbraw/zinc/19/52/44/136195244.db2.gz QHYMMJNEQJMMBS-UHFFFAOYSA-N 0 0 396.487 4.525 50 10 GJCARN COc1ccccc1Oc1coc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H](C)C2)c1=O ZINC000020390863 570254059 /nfs/dbraw/zinc/25/40/59/570254059.db2.gz KZVGKNAVBHUTEK-OAHLLOKOSA-N 0 0 395.455 4.531 50 10 biogenic GJCARN Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c(C)c1 ZINC000022228852 570308145 /nfs/dbraw/zinc/30/81/45/570308145.db2.gz AHNWUFCZXIKGOF-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(C)C)n1 ZINC000024890675 570331300 /nfs/dbraw/zinc/33/13/00/570331300.db2.gz YWSWFXZXJICNFO-UHFFFAOYSA-N 0 0 386.546 4.702 50 10 GJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C2=N)S1 ZINC000032964100 570397620 /nfs/dbraw/zinc/39/76/20/570397620.db2.gz OJZRZKRFMDWCNF-KDAGATOZSA-N 0 0 391.500 4.513 50 10 GJCARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1CCc1ccccc1 ZINC000004949342 570419625 /nfs/dbraw/zinc/41/96/25/570419625.db2.gz TXJCWRIONDXCHM-CCEZHUSRSA-N 0 0 397.434 4.718 50 10 GJCARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000005092610 570428895 /nfs/dbraw/zinc/42/88/95/570428895.db2.gz OEZKNUGCIXHULB-UHFFFAOYSA-N 0 0 399.446 4.893 50 10 GJCARN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(Br)o3)S2)cc1 ZINC000005931090 570462151 /nfs/dbraw/zinc/46/21/51/570462151.db2.gz JHLJCFCFHARMOL-UKTHLTGXSA-N 0 0 393.262 4.523 50 10 GJCARN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000029071333 570467646 /nfs/dbraw/zinc/46/76/46/570467646.db2.gz FHVUTMJBSXWZTE-LJQANCHMSA-N 0 0 396.487 4.843 50 10 GJCARN O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cl)cc1 ZINC000006332898 570477454 /nfs/dbraw/zinc/47/74/54/570477454.db2.gz SAKNCVHTSCGFAH-MHWRWJLKSA-N 0 0 389.885 4.517 50 10 GJCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000030718959 570493908 /nfs/dbraw/zinc/49/39/08/570493908.db2.gz RUMXDWCHMAEHLI-PNZWKLPWSA-N 0 0 384.848 4.629 50 10 GJCARN COc1ccccc1[C@H](NC(=O)C1CCCCC1)c1ccc2cccnc2c1O ZINC000000869244 570501675 /nfs/dbraw/zinc/50/16/75/570501675.db2.gz IYNFWIUVRYBAEN-QFIPXVFZSA-N 0 0 390.483 4.735 50 10 GJCARN C=CC(=O)Nc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F ZINC000176721565 570510373 /nfs/dbraw/zinc/51/03/73/570510373.db2.gz JDJUSHZWZXUJRF-UHFFFAOYSA-N 0 0 395.409 4.749 50 10 GJCARN COc1cccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)c2=O)c1 ZINC000005219026 570514021 /nfs/dbraw/zinc/51/40/21/570514021.db2.gz NKOSXXUTYNCMTD-OAHLLOKOSA-N 0 0 395.455 4.674 50 10 biogenic GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)c1 ZINC000006721775 570550448 /nfs/dbraw/zinc/55/04/48/570550448.db2.gz CCYNBASWDMTMNY-NZQKXSOJSA-N 0 0 390.414 4.782 50 10 GJCARN CC1CCN(c2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000006737998 570562497 /nfs/dbraw/zinc/56/24/97/570562497.db2.gz VOPCNFAISNIHDH-UHFFFAOYSA-N 0 0 387.483 4.876 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccccc3C)c2)SC1=S ZINC000006783656 570590067 /nfs/dbraw/zinc/59/00/67/570590067.db2.gz CIDLJRHMFIVLGG-XDHOZWIPSA-N 0 0 399.537 4.804 50 10 GJCARN COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000169681538 570602079 /nfs/dbraw/zinc/60/20/79/570602079.db2.gz DIFXVNPYNFOGAX-HRAATJIYSA-N 0 0 378.453 4.705 50 10 GJCARN Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1C ZINC000006804331 570607841 /nfs/dbraw/zinc/60/78/41/570607841.db2.gz STLVFEXXEZFXGY-UHFFFAOYSA-N 0 0 392.499 4.570 50 10 GJCARN CCc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000006804338 570607975 /nfs/dbraw/zinc/60/79/75/570607975.db2.gz QXJUVRLGSSSXNX-UHFFFAOYSA-N 0 0 392.499 4.516 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000012371167 570647649 /nfs/dbraw/zinc/64/76/49/570647649.db2.gz PWUAGYCEUXVQGG-YBEGLDIGSA-N 0 0 391.901 4.763 50 10 GJCARN Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1cccc(F)c1 ZINC000005401975 570661281 /nfs/dbraw/zinc/66/12/81/570661281.db2.gz HJBVZYNTYUAIRD-UHFFFAOYSA-N 0 0 387.357 4.551 50 10 GJCARN CCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000004614946 570670970 /nfs/dbraw/zinc/67/09/70/570670970.db2.gz BXEGTZBUEZEGJJ-UHFFFAOYSA-N 0 0 385.419 4.503 50 10 GJCARN CCN1C(=O)/C(=C/c2ccc(COc3cccc(Cl)c3)o2)SC1=S ZINC000001015956 570746820 /nfs/dbraw/zinc/74/68/20/570746820.db2.gz DVFHTNPCIYEOCN-DHDCSXOGSA-N 0 0 379.890 4.733 50 10 GJCARN Cc1cccc(C)c1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005692036 570813136 /nfs/dbraw/zinc/81/31/36/570813136.db2.gz OYKXQEKFSCAKRG-UHFFFAOYSA-N 0 0 384.383 4.544 50 10 GJCARN Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1C ZINC000004547785 570857420 /nfs/dbraw/zinc/85/74/20/570857420.db2.gz GJEPPQDPWBAUCW-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O ZINC000015016190 570871774 /nfs/dbraw/zinc/87/17/74/570871774.db2.gz RYPCGUFJRBGVJA-IIBYNOLFSA-N 0 0 378.453 4.705 50 10 GJCARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCOCC3)cc2)cc1 ZINC000012569539 570873425 /nfs/dbraw/zinc/87/34/25/570873425.db2.gz NSMOXDZDDAVNEX-XMMPIXPASA-N 0 0 399.494 4.603 50 10 GJCARN CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1cccc(Br)c1 ZINC000103069969 570875065 /nfs/dbraw/zinc/87/50/65/570875065.db2.gz FVNDFABHXNZDGS-GXDHUFHOSA-N 0 0 375.653 4.909 50 10 GJCARN COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 ZINC000170621239 570876730 /nfs/dbraw/zinc/87/67/30/570876730.db2.gz PEXLIJYTQSIQHG-ZDUSSCGKSA-N 0 0 379.481 4.719 50 10 GJCARN CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000004556423 570883093 /nfs/dbraw/zinc/88/30/93/570883093.db2.gz KFXLEDWFTFXUQB-OAHLLOKOSA-N 0 0 398.315 4.567 50 10 GJCARN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000016102021 570913907 /nfs/dbraw/zinc/91/39/07/570913907.db2.gz RQPGUTJHOSKRKH-ZSOIEALJSA-N 0 0 376.199 4.708 50 10 GJCARN CC(C)[S@@](=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 ZINC000170644489 570981084 /nfs/dbraw/zinc/98/10/84/570981084.db2.gz QBJHAPYTSPOHAJ-HHHXNRCGSA-N 0 0 384.545 4.835 50 10 GJCARN CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000239274782 570981540 /nfs/dbraw/zinc/98/15/40/570981540.db2.gz ARLIBSQDLKMFGT-PLPOIYILSA-N 0 0 397.518 5.758 50 10 GJCARN O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCCCCCC1 ZINC000084405161 571016505 /nfs/dbraw/zinc/01/65/05/571016505.db2.gz RCHXNFCBRYTVJP-UHFFFAOYSA-N 0 0 399.457 4.530 50 10 GJCARN CCC[N@@H+](Cc1cc(Br)cc(Br)c1[O-])CC1CC1 ZINC000019633035 571022292 /nfs/dbraw/zinc/02/22/92/571022292.db2.gz LVRNKYAWQONPQX-UHFFFAOYSA-N 0 0 377.120 4.539 50 10 GJCARN COc1ccc(O)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000015016182 210144081 /nfs/dbraw/zinc/14/40/81/210144081.db2.gz RBUBSYQAYDNEIB-DYESRHJHSA-N 0 0 378.453 4.705 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c(OC)c1 ZINC000013712686 210083377 /nfs/dbraw/zinc/08/33/77/210083377.db2.gz CIYMMNKNARWQCH-SXGWCWSVSA-N 0 0 391.901 4.763 50 10 GJCARN O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21)N1CCCC1 ZINC000013382214 210061486 /nfs/dbraw/zinc/06/14/86/210061486.db2.gz YVXGPJAHJFSSKT-LVCYWYKZSA-N 0 0 389.455 4.657 50 10 GJCARN CC(=O)c1cccc(N2C(=O)C(=CC3=Cc4ccccc4OC3)SC2=S)c1 ZINC000009419894 209827457 /nfs/dbraw/zinc/82/74/57/209827457.db2.gz FBYRHSGFRGCKOC-VXLYETTFSA-N 0 0 393.489 4.614 50 10 GJCARN CC(=O)c1ccc(N2C(=O)C(=Cc3ccccc3F)N=C2c2ccccc2)cc1 ZINC000004525389 209493632 /nfs/dbraw/zinc/49/36/32/209493632.db2.gz ILTTZJNKKHNGAZ-JCMHNJIXSA-N 0 0 384.410 4.863 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000004150609 209467011 /nfs/dbraw/zinc/46/70/11/209467011.db2.gz STPKTTYXNKTTPH-QNMDCZIWSA-N 0 0 382.876 4.524 50 10 GJCARN Cc1cc(C(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003516000 209442765 /nfs/dbraw/zinc/44/27/65/209442765.db2.gz UTHMQMOUZZMJLF-UHFFFAOYSA-N 0 0 383.831 4.738 50 10 GJCARN CCCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O ZINC000002812833 209387840 /nfs/dbraw/zinc/38/78/40/209387840.db2.gz PZIGIJXIFUBGOH-HXUWFJFHSA-N 0 0 398.890 4.998 50 10 GJCARN Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000002658976 209376786 /nfs/dbraw/zinc/37/67/86/209376786.db2.gz VPVPHTJHQUHVTG-UHFFFAOYSA-N 0 0 380.271 4.927 50 10 GJCARN O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001417242 209327351 /nfs/dbraw/zinc/32/73/51/209327351.db2.gz KAPYVBRNQKZNHZ-VIZOYTHASA-N 0 0 393.848 4.614 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccccn1 ZINC000010215328 209321128 /nfs/dbraw/zinc/32/11/28/209321128.db2.gz KEAVQKQEZPAXGU-NQIIRXRSSA-N 0 0 377.831 4.683 50 10 GJCARN O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1cccc(F)c1 ZINC000001136267 209304742 /nfs/dbraw/zinc/30/47/42/209304742.db2.gz NWICDFSUSVCEAU-XFFZJAGNSA-N 0 0 384.251 4.587 50 10 GJCARN O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000001095907 209299783 /nfs/dbraw/zinc/29/97/83/209299783.db2.gz ZVERSDWSMSUDNZ-OVCLIPMQSA-N 0 0 379.865 4.547 50 10 GJCARN COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC ZINC000000973415 209285360 /nfs/dbraw/zinc/28/53/60/209285360.db2.gz PUEMRTVSGBFDEX-RIYZIHGNSA-N 0 0 391.254 4.817 50 10 GJCARN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1 ZINC000000666432 209257158 /nfs/dbraw/zinc/25/71/58/209257158.db2.gz KQSRYPRTYGKWAE-HXUWFJFHSA-N 0 0 375.497 4.806 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)ccc1O ZINC000001211067 203896620 /nfs/dbraw/zinc/89/66/20/203896620.db2.gz HPCPVUGNGFJESO-WQRHYEAKSA-N 0 0 385.510 4.814 50 10 GJCARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000003446366 204007637 /nfs/dbraw/zinc/00/76/37/204007637.db2.gz NMGQSHBLPKJUDS-UHFFFAOYSA-N 0 0 395.456 4.522 50 10 GJCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCSc1ccc(C)cc1 ZINC000004171187 204030232 /nfs/dbraw/zinc/03/02/32/204030232.db2.gz SXZRRLUFSOYPBJ-HKWRFOASSA-N 0 0 397.519 4.903 50 10 GJCARN Cc1ccc(NC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000004706810 204067183 /nfs/dbraw/zinc/06/71/83/204067183.db2.gz YKUXWDNDGJYWIT-RCCKNPSSSA-N 0 0 398.422 4.650 50 10 GJCARN CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000005178519 204116151 /nfs/dbraw/zinc/11/61/51/204116151.db2.gz DDYBRHBWQWKDJY-QGOAFFKASA-N 0 0 384.526 4.557 50 10 GJCARN Cn1c2ccccc2c2oc(NCc3ccccc3)c(-c3cccnc3)c2c1=O ZINC000006661334 204190421 /nfs/dbraw/zinc/19/04/21/204190421.db2.gz VNKGIDWLZNVIME-UHFFFAOYSA-N 0 0 381.435 4.959 50 10 GJCARN COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000006930578 204224773 /nfs/dbraw/zinc/22/47/73/204224773.db2.gz HRYHDIHPHFYPDI-VPTHRUTESA-N 0 0 378.881 4.669 50 10 GJCARN CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000007735770 204249032 /nfs/dbraw/zinc/24/90/32/204249032.db2.gz VXBPUBKFXCDIER-DTQAZKPQSA-N 0 0 399.538 4.952 50 10 GJCARN COc1ccc2c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c[nH]c2c1 ZINC000009419791 204310312 /nfs/dbraw/zinc/31/03/12/204310312.db2.gz CVUISSPRWAYCLB-GIJQJNRQSA-N 0 0 380.494 4.578 50 10 GJCARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3c(Cl)nc4ccccn43)S2)c1 ZINC000032799405 204918949 /nfs/dbraw/zinc/91/89/49/204918949.db2.gz RWRZBRLRJCMMTI-GDNBJRDFSA-N 0 0 382.876 4.687 50 10 GJCARN CCN1c2ccccc2S/C1=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000033382363 204963848 /nfs/dbraw/zinc/96/38/48/204963848.db2.gz AUZKBEXHRJJNNK-VLGSPTGOSA-N 0 0 384.551 4.848 50 10 GJCARN O=C(CC[C@H]1CCCO1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048678326 205123449 /nfs/dbraw/zinc/12/34/49/205123449.db2.gz YQAGEZAMFZVSAE-NTKDMRAZSA-N 0 0 375.468 4.710 50 10 GJCARN Cc1nc2c(-c3ccc(Cl)cc3)noc2c(NCc2ccc(N(C)C)cc2)n1 ZINC000064658452 205192001 /nfs/dbraw/zinc/19/20/01/205192001.db2.gz AMCQTHFOHLBRCL-UHFFFAOYSA-N 0 0 393.878 4.925 50 10 GJCARN CC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2ccc(O)c(O)c2)S1 ZINC000079474253 205381574 /nfs/dbraw/zinc/38/15/74/205381574.db2.gz RQLWPKMTHGTGJX-GOSISDBHSA-N 0 0 385.876 4.882 50 10 GJCARN N=C1/C(=C/c2cccs2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000033458132 206097788 /nfs/dbraw/zinc/09/77/88/206097788.db2.gz YBRWLTMNYINFHA-GIOQYDBOSA-N 0 0 396.541 4.584 50 10 GJCARN O=C1/C(=C/c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cl)cc1 ZINC000002549293 211515170 /nfs/dbraw/zinc/51/51/70/211515170.db2.gz SAKNCVHTSCGFAH-YBEGLDIGSA-N 0 0 389.885 4.517 50 10 GJCARN COc1cccc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c1 ZINC000096401239 211342277 /nfs/dbraw/zinc/34/22/77/211342277.db2.gz PNVCDYPYWOUKSC-OQLLNIDSSA-N 0 0 378.375 4.796 50 10 GJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccccn1 ZINC000010215222 221098495 /nfs/dbraw/zinc/09/84/95/221098495.db2.gz MYCVCSHANFGYPJ-GHTZIAJQSA-N 0 0 377.831 4.683 50 10 GJCARN CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000000633977 570212536 /nfs/dbraw/zinc/21/25/36/570212536.db2.gz KIZMSLXWQBNXKW-GOSISDBHSA-N 0 0 397.935 4.775 50 10 GJCARN Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1C ZINC000019798084 570219982 /nfs/dbraw/zinc/21/99/82/570219982.db2.gz VLTWDUJKWLEMNF-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN COc1cc2c(cc1NCC(=O)Nc1ccc(F)cc1F)oc1ccccc12 ZINC000011619207 570237332 /nfs/dbraw/zinc/23/73/32/570237332.db2.gz AEAMYFORCZHWOC-UHFFFAOYSA-N 0 0 382.366 4.923 50 10 GJCARN O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1CCCc1ccccc1 ZINC000001138298 570247463 /nfs/dbraw/zinc/24/74/63/570247463.db2.gz XUWXISZSQCDUCX-ATVHPVEESA-N 0 0 389.929 4.880 50 10 GJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000001146998 570248914 /nfs/dbraw/zinc/24/89/14/570248914.db2.gz FGEPKZAIDKJYQO-VCRXTVNUSA-N 0 0 379.506 4.968 50 10 GJCARN CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001146841 570248920 /nfs/dbraw/zinc/24/89/20/570248920.db2.gz PHKGXWZNJHZHHP-MHWRWJLKSA-N 0 0 388.901 4.704 50 10 GJCARN COc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000001162301 570252050 /nfs/dbraw/zinc/25/20/50/570252050.db2.gz ZBZXCWRTULUZNN-UHFFFAOYSA-N 0 0 396.343 4.521 50 10 GJCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000001182997 570255866 /nfs/dbraw/zinc/25/58/66/570255866.db2.gz IQMRXJWVRZJJFU-XDHOZWIPSA-N 0 0 399.537 4.804 50 10 GJCARN Cc1nc2n(n1)[C@@H](c1ccccc1C(F)(F)F)CC(c1ccc(N(C)C)cc1)=N2 ZINC000100716772 570274971 /nfs/dbraw/zinc/27/49/71/570274971.db2.gz OOEWRLLCDZRZSH-LJQANCHMSA-N 0 0 399.420 4.727 50 10 GJCARN CC1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)CC1 ZINC000002825697 570305045 /nfs/dbraw/zinc/30/50/45/570305045.db2.gz IPOMPQVOQQFLSE-QNGOZBTKSA-N 0 0 392.524 4.968 50 10 GJCARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)Cc3ccccc3O)c12 ZINC000053916373 570422813 /nfs/dbraw/zinc/42/28/13/570422813.db2.gz BPDDVXKJJLGFJR-UHFFFAOYSA-N 0 0 394.519 4.596 50 10 GJCARN CCCCOC(=O)[C@H](CC)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001778893 570423130 /nfs/dbraw/zinc/42/31/30/570423130.db2.gz PCUPFZKKWTVGPL-FQEVSTJZSA-N 0 0 380.440 4.961 50 10 GJCARN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCC[C@H]3C(F)(F)F)c2C)cc1 ZINC000027881789 570444691 /nfs/dbraw/zinc/44/46/91/570444691.db2.gz TUHXNOHOGKPZDW-MOPGFXCFSA-N 0 0 394.437 4.954 50 10 GJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=N)S1 ZINC000005219368 570513930 /nfs/dbraw/zinc/51/39/30/570513930.db2.gz QHGPVUGFTDWFRX-KDAGATOZSA-N 0 0 391.500 4.513 50 10 GJCARN COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccc(C)cc2)cc1 ZINC000005252447 570529581 /nfs/dbraw/zinc/52/95/81/570529581.db2.gz ITENUEVJUQVNBK-QFIPXVFZSA-N 0 0 386.451 4.701 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccncc1 ZINC000006721645 570550397 /nfs/dbraw/zinc/55/03/97/570550397.db2.gz IYHBKSIFFHRMLY-RXVVDRJESA-N 0 0 377.831 4.683 50 10 GJCARN Oc1ccc(Cl)cc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1O ZINC000036245357 570580511 /nfs/dbraw/zinc/58/05/11/570580511.db2.gz NLTGNERBKOJUKG-FQEVSTJZSA-N 0 0 377.831 4.896 50 10 GJCARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000006781033 570589123 /nfs/dbraw/zinc/58/91/23/570589123.db2.gz CUEVUGFMEOPZKO-UHFFFAOYSA-N 0 0 390.483 4.931 50 10 GJCARN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000058054940 570708421 /nfs/dbraw/zinc/70/84/21/570708421.db2.gz MCVAWAJJYRDQEH-UHFFFAOYSA-N 0 0 389.455 4.611 50 10 GJCARN O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000013228185 570751038 /nfs/dbraw/zinc/75/10/38/570751038.db2.gz JSQYESRKLTXKPC-ZSOIEALJSA-N 0 0 389.864 4.761 50 10 GJCARN COc1ccc(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1OC ZINC000005959962 570809068 /nfs/dbraw/zinc/80/90/68/570809068.db2.gz UTKJCXRQNYLWJM-XYOKQWHBSA-N 0 0 377.223 4.992 50 10 GJCARN Cc1c(C=C2SC(=S)NC2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000004663282 570812018 /nfs/dbraw/zinc/81/20/18/570812018.db2.gz SZDZWEAPRYTBDH-ZDLGFXPLSA-N 0 0 382.485 4.626 50 10 GJCARN Cc1cc(C(=O)Nc2cccc(Oc3cnccn3)c2)c(C)n1-c1ccccc1 ZINC000033136328 570822295 /nfs/dbraw/zinc/82/22/95/570822295.db2.gz SMVYQEWPNRRKAF-UHFFFAOYSA-N 0 0 384.439 4.929 50 10 GJCARN Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000003243748 570840853 /nfs/dbraw/zinc/84/08/53/570840853.db2.gz KVRWGKQFGKYTCR-UHFFFAOYSA-N 0 0 389.337 4.771 50 10 GJCARN Cc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c(C)n1-c1ccccc1F ZINC000012545570 570846549 /nfs/dbraw/zinc/84/65/49/570846549.db2.gz KLWDLGSMICXLHC-UHFFFAOYSA-N 0 0 391.446 4.612 50 10 GJCARN O=C1N=C(NC2CCCCC2)SC1=Cc1ccccc1OCc1ccccn1 ZINC000022504132 570900486 /nfs/dbraw/zinc/90/04/86/570900486.db2.gz MHVRQQCQQCSAMM-ZHZULCJRSA-N 0 0 393.512 4.553 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000001240491 570948369 /nfs/dbraw/zinc/94/83/69/570948369.db2.gz BOIUTOIOUKDMBN-LZYBPNLTSA-N 0 0 391.901 4.763 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccccc43)SC2=S)cc1 ZINC000018190367 570951277 /nfs/dbraw/zinc/95/12/77/570951277.db2.gz ZCIALKBOJLRMQM-WQRHYEAKSA-N 0 0 380.494 4.891 50 10 GJCARN COc1cc(I)cc(CNc2ccc(C(C)C)cc2)c1O ZINC000002544782 570965652 /nfs/dbraw/zinc/96/56/52/570965652.db2.gz PSFHTYYDJYEZBJ-UHFFFAOYSA-N 0 0 397.256 4.741 50 10 GJCARN Cc1ccc(O)c(CN2CCCn3cccc3[C@@H]2c2cc(F)c(F)cc2F)c1 ZINC000037522694 571024050 /nfs/dbraw/zinc/02/40/50/571024050.db2.gz HIPSMMLXWSITPY-QFIPXVFZSA-N 0 0 386.417 4.915 50 10 GJCARN CN(C)c1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1Cl ZINC000016265801 210186879 /nfs/dbraw/zinc/18/68/79/210186879.db2.gz OOOLMDLIDOKTPR-PTNGSMBKSA-N 0 0 380.966 4.940 50 10 GJCARN O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000015008700 210144127 /nfs/dbraw/zinc/14/41/27/210144127.db2.gz QDHWWTOZOYDKQJ-VIZOYTHASA-N 0 0 396.251 4.641 50 10 GJCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000015011638 210142251 /nfs/dbraw/zinc/14/22/51/210142251.db2.gz AAHCQDKSQKCSCU-QKIOLIMFSA-N 0 0 382.466 4.947 50 10 GJCARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000013799091 210091763 /nfs/dbraw/zinc/09/17/63/210091763.db2.gz FVVCXLUNZYTBGH-DHDCSXOGSA-N 0 0 391.290 4.523 50 10 GJCARN O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1c1cccc(Cl)c1 ZINC000013684921 210079040 /nfs/dbraw/zinc/07/90/40/210079040.db2.gz UGDWFOXTFRNASB-DHDCSXOGSA-N 0 0 383.885 4.689 50 10 GJCARN CCN1c2ccccc2C=C/C1=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000013161912 210054252 /nfs/dbraw/zinc/05/42/52/210054252.db2.gz ZALIHOWCSGNPMY-VXPUYCOJSA-N 0 0 392.549 4.854 50 10 GJCARN Cc1ccc(NC(=S)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl ZINC000013039517 210049575 /nfs/dbraw/zinc/04/95/75/210049575.db2.gz KGFLFHUHQUWJQW-QGZVFWFLSA-N 0 0 390.936 4.732 50 10 GJCARN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 ZINC000008780188 209801888 /nfs/dbraw/zinc/80/18/88/209801888.db2.gz NLHZTBGOLXSEAR-KRWDZBQOSA-N 0 0 376.500 4.677 50 10 GJCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OC ZINC000004550576 209496137 /nfs/dbraw/zinc/49/61/37/209496137.db2.gz OKOBYKRLYUCKRP-PGMHBOJBSA-N 0 0 398.462 4.928 50 10 GJCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1c(C)cccc1C ZINC000003868550 209455761 /nfs/dbraw/zinc/45/57/61/209455761.db2.gz BPDGVFDSZZXECG-FZOVEGBXSA-N 0 0 390.512 4.878 50 10 GJCARN CCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000002911875 209396930 /nfs/dbraw/zinc/39/69/30/209396930.db2.gz YVEJUCSVKVSFOV-LJQANCHMSA-N 0 0 393.516 4.610 50 10 GJCARN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000001416326 209326899 /nfs/dbraw/zinc/32/68/99/209326899.db2.gz HMJHNGLSCNMNQI-NTEUORMPSA-N 0 0 394.290 4.994 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1 ZINC000001308746 209319142 /nfs/dbraw/zinc/31/91/42/209319142.db2.gz USBNARIXDHMVPP-ZDLGFXPLSA-N 0 0 385.510 4.726 50 10 GJCARN COc1ccccc1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000001220851 209315796 /nfs/dbraw/zinc/31/57/96/209315796.db2.gz LTMQQUCAQXDBHG-DHDCSXOGSA-N 0 0 379.865 4.894 50 10 GJCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1cccc(Br)c1 ZINC000001218338 209315869 /nfs/dbraw/zinc/31/58/69/209315869.db2.gz KEIBGFUTCLVTCK-NTEUORMPSA-N 0 0 377.238 4.671 50 10 GJCARN CCOc1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001201967 209313553 /nfs/dbraw/zinc/31/35/53/209313553.db2.gz SVLOVGOQOYIRKQ-UHFFFAOYSA-N 0 0 398.458 4.966 50 10 GJCARN Cc1oc2c(ccc([O-])c2C[NH+]2CCCC2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667133 209229653 /nfs/dbraw/zinc/22/96/53/209229653.db2.gz AQRVLANKVSZHSJ-UHFFFAOYSA-N 0 0 392.480 4.680 50 10 biogenic GJCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1Br ZINC000002439898 203945549 /nfs/dbraw/zinc/94/55/49/203945549.db2.gz HVSVGZGXDPVEIP-ZROIWOOFSA-N 0 0 394.290 4.994 50 10 GJCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000003864203 204020577 /nfs/dbraw/zinc/02/05/77/204020577.db2.gz YNBUEGMAGPIROI-PNZWKLPWSA-N 0 0 384.848 4.629 50 10 GJCARN CCCCN1C(=O)/C(=C\C=C\C=C\N(C(C)=O)c2ccccc2)SC1=S ZINC000004499326 204048066 /nfs/dbraw/zinc/04/80/66/204048066.db2.gz AVGNOKJNQONDNL-BWIWXMGNSA-N 0 0 386.542 4.654 50 10 GJCARN COCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@H](C)C3)cc1 ZINC000006782091 204205133 /nfs/dbraw/zinc/20/51/33/204205133.db2.gz RNDMPZQKCUNJBQ-SFHVURJKSA-N 0 0 388.511 4.645 50 10 GJCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccncc1 ZINC000006721634 204194167 /nfs/dbraw/zinc/19/41/67/204194167.db2.gz KMGMZDOWWQGNPC-WIYYLYMNSA-N 0 0 377.831 4.683 50 10 GJCARN COc1ccc(NC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)cc1OC ZINC000009228743 204303403 /nfs/dbraw/zinc/30/34/03/204303403.db2.gz SUDKDIGMUPUKNE-UHFFFAOYSA-N 0 0 393.487 4.741 50 10 GJCARN CCc1cccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000022014953 204771618 /nfs/dbraw/zinc/77/16/18/204771618.db2.gz DHAWSCVEKNNVGE-UHFFFAOYSA-N 0 0 383.447 4.595 50 10 GJCARN COc1cccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3ccccc3O)C2)c1 ZINC000053363372 205136955 /nfs/dbraw/zinc/13/69/55/205136955.db2.gz OXDFTLCPJVXGBN-GGAORHGYSA-N 0 0 376.431 4.762 50 10 GJCARN Cc1cc(C(=O)[C@@H](C)Oc2ccc(-c3nnco3)cc2)c(C)n1-c1ccccc1 ZINC000006122240 205819343 /nfs/dbraw/zinc/81/93/43/205819343.db2.gz SZRNCNDMGPDJEI-QGZVFWFLSA-N 0 0 387.439 4.794 50 10 GJCARN Cc1nc2n(n1)[C@H](c1ccccc1C(F)(F)F)CC(c1ccc(N(C)C)cc1)=N2 ZINC000100716775 211391162 /nfs/dbraw/zinc/39/11/62/211391162.db2.gz OOEWRLLCDZRZSH-IBGZPJMESA-N 0 0 399.420 4.727 50 10 GJCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000100487700 211386196 /nfs/dbraw/zinc/38/61/96/211386196.db2.gz QEWKGRPFDBMZDM-AWNIVKPZSA-N 0 0 375.211 4.528 50 10 GJCARN CCCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 ZINC000095471468 211245958 /nfs/dbraw/zinc/24/59/58/211245958.db2.gz PLMFRIZBXBRKMI-QNGOZBTKSA-N 0 0 391.471 4.670 50 10 GJCARN O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1ccccc1 ZINC000058821962 210922998 /nfs/dbraw/zinc/92/29/98/210922998.db2.gz FYXSCLZOVIXXMQ-GXDHUFHOSA-N 0 0 376.300 4.855 50 10 GJCARN Cc1cc(C)cc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000022229157 210407763 /nfs/dbraw/zinc/40/77/63/210407763.db2.gz IGVNSULZGDJXFW-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)c1 ZINC000010215307 221098604 /nfs/dbraw/zinc/09/86/04/221098604.db2.gz IZLAKZSVFLVUOQ-SIKLNZKXSA-N 0 0 391.858 4.991 50 10 GJCARN CC1(C)C[C@@](C)(c2ccc(O)cc2O)N(c2cccc(Cl)c2)C(=S)N1 ZINC000008690320 136195620 /nfs/dbraw/zinc/19/56/20/136195620.db2.gz CDQHRZRAMWXLIA-IBGZPJMESA-N 0 0 376.909 4.941 50 10 GJCARN CCOc1cc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1O ZINC000019842992 520781084 /nfs/dbraw/zinc/78/10/84/520781084.db2.gz HTVCMQHJWJYEJU-NRFANRHFSA-N 0 0 387.439 4.641 50 10 GJCARN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000000631843 570212155 /nfs/dbraw/zinc/21/21/55/570212155.db2.gz SJCIQKCESVTKSJ-WQRHYEAKSA-N 0 0 399.899 4.939 50 10 GJCARN COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000000669995 570215661 /nfs/dbraw/zinc/21/56/61/570215661.db2.gz FPDPKGBSWXAYRV-ZHZULCJRSA-N 0 0 386.407 4.539 50 10 GJCARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(N(C)C)cc3)NC(=O)CCN21 ZINC000000707289 570218893 /nfs/dbraw/zinc/21/88/93/570218893.db2.gz UXNSSCNZYKLMHJ-ZOBSEURRSA-N 0 0 375.516 4.929 50 10 biogenic GJCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@H+](C)C2CCCCC2)c1=O ZINC000019790399 570219179 /nfs/dbraw/zinc/21/91/79/570219179.db2.gz STHFPZWEWMEHAF-UHFFFAOYSA-N 0 0 393.483 4.939 50 10 biogenic GJCARN O=C(N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc21)c1ccccc1 ZINC000000855828 570226866 /nfs/dbraw/zinc/22/68/66/570226866.db2.gz BGGZYWOTOAUQIO-HSZRJFAPSA-N 0 0 398.418 4.973 50 10 GJCARN O=C(COc1ccccc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000943242 570230833 /nfs/dbraw/zinc/23/08/33/570230833.db2.gz BXYRYLJIIOSAOP-RUZDIDTESA-N 0 0 383.447 4.830 50 10 GJCARN CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1O)Nc1ccccc1-2 ZINC000002057033 570272807 /nfs/dbraw/zinc/27/28/07/570272807.db2.gz WDGGLTNSKRCZLU-SFHVURJKSA-N 0 0 380.473 4.640 50 10 GJCARN Cc1ccc(C)c(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000022228880 570308181 /nfs/dbraw/zinc/30/81/81/570308181.db2.gz AUWLZQTWWLINSP-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN O=[N+]([O-])c1ccc(N2N=C(c3ccc(O)cc3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000004257507 570364264 /nfs/dbraw/zinc/36/42/64/570364264.db2.gz HPYCSMRZVJTSRQ-NRFANRHFSA-N 0 0 377.375 4.795 50 10 GJCARN Cc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 ZINC000033671615 570395477 /nfs/dbraw/zinc/39/54/77/570395477.db2.gz LVNRNRZXLAFABB-DTRPCSQLSA-N 0 0 380.517 4.975 50 10 GJCARN CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000004798064 570406085 /nfs/dbraw/zinc/40/60/85/570406085.db2.gz QGWRXIYOCKWCNF-CPNJWEJPSA-N 0 0 388.496 4.682 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)c(Cl)c3)o2)SC1=S ZINC000004838784 570409990 /nfs/dbraw/zinc/40/99/90/570409990.db2.gz KXHQVOFTSZDAIN-OQLLNIDSSA-N 0 0 379.890 4.830 50 10 GJCARN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)c2C)cc1 ZINC000027881776 570444870 /nfs/dbraw/zinc/44/48/70/570444870.db2.gz TUHXNOHOGKPZDW-OALUTQOASA-N 0 0 394.437 4.954 50 10 GJCARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2ncc(-c3ccccc3)n2C)c1C ZINC000005175191 570493283 /nfs/dbraw/zinc/49/32/83/570493283.db2.gz HYJBNHYFXFGFCT-MRXNPFEDSA-N 0 0 397.544 4.688 50 10 GJCARN Nc1ccc(CCNC(=O)c2cc(-c3ccc(C4CCCCC4)cc3)on2)cc1 ZINC000022669638 570500856 /nfs/dbraw/zinc/50/08/56/570500856.db2.gz ABDASWWVEKMGTB-UHFFFAOYSA-N 0 0 389.499 4.944 50 10 GJCARN CN(C)c1ccc(CNc2ccc(-c3nc(-c4cccc(F)c4)no3)cn2)cc1 ZINC000064676928 570517002 /nfs/dbraw/zinc/51/70/02/570517002.db2.gz WJJBBMYYRIHIBA-UHFFFAOYSA-N 0 0 389.434 4.616 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccnc1 ZINC000006721647 570550285 /nfs/dbraw/zinc/55/02/85/570550285.db2.gz JBHKJBUTZBUJDZ-RXVVDRJESA-N 0 0 377.831 4.683 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 ZINC000006721768 570550424 /nfs/dbraw/zinc/55/04/24/570550424.db2.gz PPXLMIPFXDYQTP-NFBKMPQASA-N 0 0 390.414 4.782 50 10 GJCARN CCc1nc2c(-c3ccc(C)cc3)noc2c(NCc2ccc(N(C)C)cc2)n1 ZINC000064835190 570560256 /nfs/dbraw/zinc/56/02/56/570560256.db2.gz OTWFNSYWNMBXEK-UHFFFAOYSA-N 0 0 387.487 4.834 50 10 GJCARN Oc1ccc(Br)cc1CNc1ccc(Br)cc1F ZINC000044836228 570634093 /nfs/dbraw/zinc/63/40/93/570634093.db2.gz SPLSGNVEUKGZRW-UHFFFAOYSA-N 0 0 375.035 4.668 50 10 GJCARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1O ZINC000012412717 570667315 /nfs/dbraw/zinc/66/73/15/570667315.db2.gz JBSTZSMPPUVWOY-QPEQYQDCSA-N 0 0 377.227 4.514 50 10 GJCARN C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000013775084 570677602 /nfs/dbraw/zinc/67/76/02/570677602.db2.gz LKLNVJSWQQXHKA-NPQOUYBPSA-N 0 0 393.533 4.838 50 10 GJCARN COc1ccc(N[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 ZINC000033045909 570697245 /nfs/dbraw/zinc/69/72/45/570697245.db2.gz SKQXOLPOYYABIN-MRXNPFEDSA-N 0 0 378.472 4.795 50 10 GJCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000003151807 570723879 /nfs/dbraw/zinc/72/38/79/570723879.db2.gz NBSZPSVARFCTPC-GDNBJRDFSA-N 0 0 390.327 4.851 50 10 GJCARN COc1ccc2c3ccc(OCC(=O)c4ccc(F)cc4)c(C)c3oc(=O)c2c1 ZINC000000950421 570737047 /nfs/dbraw/zinc/73/70/47/570737047.db2.gz LYHQPORYCJJAQA-UHFFFAOYSA-N 0 0 392.382 4.664 50 10 GJCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(O)c1 ZINC000000973794 570741212 /nfs/dbraw/zinc/74/12/12/570741212.db2.gz JKSVPXLKETYPRQ-ZSOIEALJSA-N 0 0 392.299 4.561 50 10 GJCARN Cc1cc(C(=O)NCc2coc(-c3cccs3)n2)c(C)n1-c1ccccc1F ZINC000025467842 570755280 /nfs/dbraw/zinc/75/52/80/570755280.db2.gz QMFSWYHONKKVKK-UHFFFAOYSA-N 0 0 395.459 4.880 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000013596753 570761830 /nfs/dbraw/zinc/76/18/30/570761830.db2.gz RZQKBMNNPAKHKD-PDGQHHTCSA-N 0 0 385.510 4.808 50 10 GJCARN CCN(CC)S(=O)(=O)c1cccc(/N=N/c2cc(O)cc3ccccc32)c1 ZINC000100846338 570776255 /nfs/dbraw/zinc/77/62/55/570776255.db2.gz ASVWKZLOGHOXBO-QURGRASLSA-N 0 0 383.473 4.991 50 10 GJCARN CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccccc2)SC1=S ZINC000002840188 570796986 /nfs/dbraw/zinc/79/69/86/570796986.db2.gz XXYBBAARFGVNFT-CYVLTUHYSA-N 0 0 399.537 4.756 50 10 GJCARN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000006003062 570813012 /nfs/dbraw/zinc/81/30/12/570813012.db2.gz XSIKBOMHNMQCFX-HPUUJOOBSA-N 0 0 388.470 4.855 50 10 GJCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C2=N)S1 ZINC000033149736 570829114 /nfs/dbraw/zinc/82/91/14/570829114.db2.gz OWEOAYZPRJPYBP-HXBSJJRASA-N 0 0 378.457 4.612 50 10 GJCARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 ZINC000102716295 570860408 /nfs/dbraw/zinc/86/04/08/570860408.db2.gz IMAOZMFJFLHRPW-OAQYLSRUSA-N 0 0 387.439 4.806 50 10 GJCARN Cc1cccc(Nc2nn(CN(C)Cc3ccc(N(C)C)cc3)c(=S)s2)c1 ZINC000012561306 570865821 /nfs/dbraw/zinc/86/58/21/570865821.db2.gz PEAZUVVWTIZDLN-UHFFFAOYSA-N 0 0 399.589 4.882 50 10 GJCARN Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1 ZINC000004728891 570884265 /nfs/dbraw/zinc/88/42/65/570884265.db2.gz UHCHMDNUQCQVBA-MOSHPQCFSA-N 0 0 382.419 4.558 50 10 GJCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000001257687 570950877 /nfs/dbraw/zinc/95/08/77/570950877.db2.gz HHBILYJAASNZAK-ZSOIEALJSA-N 0 0 394.290 4.994 50 10 GJCARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ncc(C(C)(C)C)o1 ZINC000083836806 570967849 /nfs/dbraw/zinc/96/78/49/570967849.db2.gz ZWHLCMJYUSPVGV-UHFFFAOYSA-N 0 0 399.516 4.919 50 10 GJCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000016667578 210192283 /nfs/dbraw/zinc/19/22/83/210192283.db2.gz HKZATHNOABFWKS-ZROIWOOFSA-N 0 0 392.299 4.561 50 10 GJCARN CCOc1cccc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)c1O ZINC000015011202 210142669 /nfs/dbraw/zinc/14/26/69/210142669.db2.gz QOUZVGFWWQRHTG-LGMDPLHJSA-N 0 0 391.558 4.963 50 10 GJCARN COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC ZINC000013712059 210082496 /nfs/dbraw/zinc/08/24/96/210082496.db2.gz PPEXWJYLTAIMEU-GDNBJRDFSA-N 0 0 391.901 4.763 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000003044309 209408965 /nfs/dbraw/zinc/40/89/65/209408965.db2.gz DWWRMJYLOORMMN-MHWRWJLKSA-N 0 0 390.917 4.619 50 10 GJCARN COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=O)NC2=S)cc1 ZINC000002439667 209363438 /nfs/dbraw/zinc/36/34/38/209363438.db2.gz MJGRXGYXUCMZLH-GZTJUZNOSA-N 0 0 393.493 4.673 50 10 GJCARN COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)c(O)c1 ZINC000001235356 209317710 /nfs/dbraw/zinc/31/77/10/209317710.db2.gz BTRVDIXOMHPPBI-JOCHJYFZSA-N 0 0 386.451 4.701 50 10 GJCARN CCN(CC)c1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 ZINC000001160552 209308284 /nfs/dbraw/zinc/30/82/84/209308284.db2.gz COGHZZUFFLNGRO-LDADJPATSA-N 0 0 384.863 4.539 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000001009750 209289111 /nfs/dbraw/zinc/28/91/11/209289111.db2.gz PWUAGYCEUXVQGG-MHWRWJLKSA-N 0 0 391.901 4.763 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000250372441 203814914 /nfs/dbraw/zinc/81/49/14/203814914.db2.gz GAFBLVONAUCAQF-UWJYYQICSA-N 0 0 378.453 4.705 50 10 GJCARN COc1ccc(NC(=O)c2c3c(sc2NCc2cccnc2)CCCC3)cc1 ZINC000000798219 203854805 /nfs/dbraw/zinc/85/48/05/203854805.db2.gz LDZGFXCMWBRQAF-UHFFFAOYSA-N 0 0 393.512 4.895 50 10 GJCARN O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C\c1ccccc1 ZINC000000950640 203868408 /nfs/dbraw/zinc/86/84/08/203868408.db2.gz RFNUJXXVKYJWIG-XLNRJJMWSA-N 0 0 399.519 4.632 50 10 GJCARN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1Sc1ccccc1)C(=O)C2=O ZINC000004185294 204032170 /nfs/dbraw/zinc/03/21/70/204032170.db2.gz WLWZOZUZEZXMHK-XZOQPEGZSA-N 0 0 393.508 4.741 50 10 GJCARN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccs1 ZINC000004696422 204065023 /nfs/dbraw/zinc/06/50/23/204065023.db2.gz ORXWNCBWHJKBEQ-LCYFTJDESA-N 0 0 394.279 4.932 50 10 GJCARN CCN1C(=O)/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC1=S ZINC000004724615 204069778 /nfs/dbraw/zinc/06/97/78/204069778.db2.gz ROHQDSVKFWJZIR-GZTJUZNOSA-N 0 0 389.929 4.858 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000004749377 204073261 /nfs/dbraw/zinc/07/32/61/204073261.db2.gz UUMYREWJOVDWMT-FDIDITGRSA-N 0 0 385.510 4.666 50 10 GJCARN CC(C)COc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(N)cc2)n1 ZINC000004781163 204075842 /nfs/dbraw/zinc/07/58/42/204075842.db2.gz BBIFVNDIOQMRGV-UHFFFAOYSA-N 0 0 376.382 4.570 50 10 GJCARN COc1ccc(OC)c(C2=C/C(=C\c3c(OC)ccc4ccccc43)C(=O)O2)c1 ZINC000004472062 204045446 /nfs/dbraw/zinc/04/54/46/204045446.db2.gz IOBCJVGXRSFAKN-FOWTUZBSSA-N 0 0 388.419 4.847 50 10 GJCARN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 ZINC000005098697 204110590 /nfs/dbraw/zinc/11/05/90/204110590.db2.gz NSLAFMMGUWQESG-VWLOTQADSA-N 0 0 399.538 4.595 50 10 GJCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 ZINC000006098052 204166020 /nfs/dbraw/zinc/16/60/20/204166020.db2.gz TYORIUZTZYXBRF-QGZVFWFLSA-N 0 0 394.544 4.776 50 10 GJCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000005564406 204140611 /nfs/dbraw/zinc/14/06/11/204140611.db2.gz YOMUBHCFAJMQQL-WJDWOHSUSA-N 0 0 397.550 4.822 50 10 GJCARN CCOc1ccccc1CNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1 ZINC000006877901 204218669 /nfs/dbraw/zinc/21/86/69/204218669.db2.gz RUMVDZPTGSMRCK-UHFFFAOYSA-N 0 0 388.511 4.993 50 10 GJCARN CCOc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000006949917 204227936 /nfs/dbraw/zinc/22/79/36/204227936.db2.gz VXDRYHHYZZYSNK-OFNKIYASSA-N 0 0 382.504 4.695 50 10 GJCARN O=C1N=C(Nc2ccccc2Cl)SC1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000007003898 204229879 /nfs/dbraw/zinc/22/98/79/204229879.db2.gz CQRGZVHWFOHZKY-RIYZIHGNSA-N 0 0 394.239 4.984 50 10 GJCARN Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000007289961 204238974 /nfs/dbraw/zinc/23/89/74/204238974.db2.gz WZJNFJPSACVCRD-UHFFFAOYSA-N 0 0 393.512 4.818 50 10 GJCARN O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2O)N1c1ccc2c(c1)OCO2 ZINC000007885100 204253960 /nfs/dbraw/zinc/25/39/60/204253960.db2.gz JKPKFZXQKGXVFI-HXUWFJFHSA-N 0 0 394.814 4.545 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1O ZINC000009232310 204303828 /nfs/dbraw/zinc/30/38/28/204303828.db2.gz TWCAHFPPPQDAPM-VIZOYTHASA-N 0 0 395.864 4.599 50 10 GJCARN O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1CCc1ccccc1 ZINC000009423244 204311295 /nfs/dbraw/zinc/31/12/95/204311295.db2.gz DENGBXPCSKBWJE-RGEXLXHISA-N 0 0 376.506 4.679 50 10 GJCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OC1CCCC1 ZINC000033294137 211946338 /nfs/dbraw/zinc/94/63/38/211946338.db2.gz HPPBVYNISXDUTF-SFQUDFHCSA-N 0 0 377.531 4.628 50 10 GJCARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000040123025 205055193 /nfs/dbraw/zinc/05/51/93/205055193.db2.gz FMYDOOKPIVNMLK-OAHLLOKOSA-N 0 0 395.286 4.912 50 10 GJCARN C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O ZINC000051330763 205134126 /nfs/dbraw/zinc/13/41/26/205134126.db2.gz UTUIWCBPDQJRKZ-OTWJJXBCSA-N 0 0 381.478 4.505 50 10 GJCARN COc1cccc(-n2c(C)cc(C(=O)N[C@H](C)c3sc(C)nc3C)c2C)c1 ZINC000065532101 205237190 /nfs/dbraw/zinc/23/71/90/205237190.db2.gz KDPVPIHYXSOXOQ-CQSZACIVSA-N 0 0 383.517 4.667 50 10 GJCARN CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)o2)SC1=S ZINC000005600441 205817833 /nfs/dbraw/zinc/81/78/33/205817833.db2.gz HFEISZVMBWSRGI-GZTJUZNOSA-N 0 0 395.509 4.662 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000227486740 206102072 /nfs/dbraw/zinc/10/20/72/206102072.db2.gz GZAQNVKHLVZTIJ-JTSKRJEESA-N 0 0 376.412 4.545 50 10 GJCARN CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2-c1ccc(O)c(O)c1 ZINC000096114693 206117138 /nfs/dbraw/zinc/11/71/38/206117138.db2.gz YYCZTTLYVCRIHK-UHFFFAOYSA-N 0 0 375.384 4.695 50 10 biogenic GJCARN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3C[C@H](C)C[C@@H](C)C3)c2=O)cc1 ZINC000041583926 211415578 /nfs/dbraw/zinc/41/55/78/211415578.db2.gz IJQSLXSXRKXHES-HZPDHXFCSA-N 0 0 393.483 4.652 50 10 GJCARN CCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000095912906 211282612 /nfs/dbraw/zinc/28/26/12/211282612.db2.gz RMGPQZGEQNZXMS-NRFANRHFSA-N 0 0 399.450 4.714 50 10 GJCARN O=C1N=C(NC2CCCCC2)SC1=Cc1csc(-c2ccsc2)n1 ZINC000058391620 210918423 /nfs/dbraw/zinc/91/84/23/210918423.db2.gz XUCLGGCKHNUHFK-RIYZIHGNSA-N 0 0 375.544 4.764 50 10 GJCARN CCCCOc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1OC ZINC000033352645 210644188 /nfs/dbraw/zinc/64/41/88/210644188.db2.gz IUYQAPPCQWZJHA-CYVLTUHYSA-N 0 0 388.533 4.720 50 10 GJCARN CCN1c2ccccc2SC1=Cc1sc2ccccc2[n+]1CCC(=O)[O-] ZINC000020807074 210362962 /nfs/dbraw/zinc/36/29/62/210362962.db2.gz ATKYDGRTBMZFLG-UHFFFAOYSA-O 0 0 383.518 4.594 50 10 GJCARN CCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC ZINC000004309452 220703438 /nfs/dbraw/zinc/70/34/38/220703438.db2.gz OBNZTNBYQNXPJC-LDADJPATSA-N 0 0 384.863 4.944 50 10 GJCARN CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000869283 570227771 /nfs/dbraw/zinc/22/77/71/570227771.db2.gz LINXHMFDDAUTFG-QGZVFWFLSA-N 0 0 375.255 4.863 50 10 GJCARN Cc1cccc(Nc2cc(N3CCCC3)c(N)c3c2C(=O)c2ccccc2C3=O)c1 ZINC000004817420 570235699 /nfs/dbraw/zinc/23/56/99/570235699.db2.gz AESXXACXJVIUIO-UHFFFAOYSA-N 0 0 397.478 4.696 50 10 GJCARN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1CCc1ccccc1 ZINC000001128311 570244842 /nfs/dbraw/zinc/24/48/42/570244842.db2.gz IHNQMOFSUHDHFU-SILNSSARSA-N 0 0 394.565 4.731 50 10 GJCARN O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccc(F)cc1 ZINC000001159225 570251224 /nfs/dbraw/zinc/25/12/24/570251224.db2.gz KIPRJEVOLYSCRR-XFFZJAGNSA-N 0 0 384.251 4.587 50 10 GJCARN COc1ccccc1/C=C1/SC(=S)N(CNc2ccccc2Cl)C1=O ZINC000001194606 570257453 /nfs/dbraw/zinc/25/74/53/570257453.db2.gz UQCRTWVWYDXOJH-MHWRWJLKSA-N 0 0 390.917 4.619 50 10 GJCARN CCN(CC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1 ZINC000001409513 570262188 /nfs/dbraw/zinc/26/21/88/570262188.db2.gz PBBQXLZGOFZIOY-IBGZPJMESA-N 0 0 393.516 4.610 50 10 GJCARN Oc1c([C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)ccc2cccnc21 ZINC000021486248 570291572 /nfs/dbraw/zinc/29/15/72/570291572.db2.gz BMBNTQYGBGSDPL-LJQANCHMSA-N 0 0 389.282 4.669 50 10 GJCARN Cc1c2cccc(Cl)c2oc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000010906340 570359806 /nfs/dbraw/zinc/35/98/06/570359806.db2.gz RZJIUAUFEPVWOD-UHFFFAOYSA-N 0 0 398.890 4.503 50 10 GJCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 ZINC000000985372 570413445 /nfs/dbraw/zinc/41/34/45/570413445.db2.gz WCPRGAHOGBHLPT-GDNBJRDFSA-N 0 0 390.327 4.851 50 10 GJCARN CCCCOc1ccc(/C=C2/SC(=S)N(CCC)C2=O)cc1OCC ZINC000097995884 570416685 /nfs/dbraw/zinc/41/66/85/570416685.db2.gz LYAAFRLTQHSADE-GHRIWEEISA-N 0 0 379.547 4.875 50 10 GJCARN COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccs2)ccc1O ZINC000248126363 570442440 /nfs/dbraw/zinc/44/24/40/570442440.db2.gz GHOXFWFQDUSHAB-IERDGZPVSA-N 0 0 378.453 4.705 50 10 GJCARN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000029071324 570467729 /nfs/dbraw/zinc/46/77/29/570467729.db2.gz FHVUTMJBSXWZTE-IBGZPJMESA-N 0 0 396.487 4.843 50 10 GJCARN CN(C)c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000033337920 570525395 /nfs/dbraw/zinc/52/53/95/570525395.db2.gz RCBOKPOORZUGGT-YVLHZVERSA-N 0 0 390.867 4.782 50 10 GJCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCOCC1 ZINC000022289028 570538613 /nfs/dbraw/zinc/53/86/13/570538613.db2.gz CLWRPOOIPCVOTC-WOIUINJBSA-N 0 0 394.902 4.639 50 10 GJCARN Cc1cc(C(=O)OCC(=O)Nc2c(C)cccc2C)c(C)n1-c1ccc(C)cc1 ZINC000006830901 570634131 /nfs/dbraw/zinc/63/41/31/570634131.db2.gz RGGWDQWIJUECBA-UHFFFAOYSA-N 0 0 390.483 4.815 50 10 GJCARN COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000004151405 570726735 /nfs/dbraw/zinc/72/67/35/570726735.db2.gz XMQNBARUIWVRMS-HLIPFELVSA-N 0 0 378.428 4.825 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC)cc1 ZINC000013549385 570757310 /nfs/dbraw/zinc/75/73/10/570757310.db2.gz FVXQLMBYCDBRNG-QNGOZBTKSA-N 0 0 391.467 4.661 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(OCC)c1 ZINC000013895352 570799449 /nfs/dbraw/zinc/79/94/49/570799449.db2.gz OKKSBZUDNJYDIR-UNOMPAQXSA-N 0 0 399.537 4.885 50 10 GJCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1nc2ccc(F)cc2s1 ZINC000007130219 570800157 /nfs/dbraw/zinc/80/01/57/570800157.db2.gz WEODWWHLOLLOHA-UHFFFAOYSA-N 0 0 398.488 4.567 50 10 GJCARN COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1 ZINC000018173323 570807390 /nfs/dbraw/zinc/80/73/90/570807390.db2.gz OQQBIAZFBURAEC-QJOMJCCJSA-N 0 0 397.478 4.596 50 10 GJCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 ZINC000001819158 570818677 /nfs/dbraw/zinc/81/86/77/570818677.db2.gz OWTPXNYHBGXCCS-RGEXLXHISA-N 0 0 398.553 4.947 50 10 GJCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(C(C)C)cc4)C3=N)S2)cc1 ZINC000004524363 570843533 /nfs/dbraw/zinc/84/35/33/570843533.db2.gz JDYDDSRHTLKERR-BIWIXZEJSA-N 0 0 388.496 4.786 50 10 GJCARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2Cc2ccccc2)cc1 ZINC000044086336 570863467 /nfs/dbraw/zinc/86/34/67/570863467.db2.gz YZDVRFFKYVLRQM-UHFFFAOYSA-N 0 0 379.529 4.524 50 10 GJCARN CCOC(=O)c1c(C)c(C)sc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000102811662 570865326 /nfs/dbraw/zinc/86/53/26/570865326.db2.gz VLQHTJCBTWNDRH-BOPFTXTBSA-N 0 0 397.500 4.569 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl ZINC000015010719 570871255 /nfs/dbraw/zinc/87/12/55/570871255.db2.gz WEPMEJNETTVQPK-ATVHPVEESA-N 0 0 389.929 4.793 50 10 GJCARN COc1ccc(OC)c(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 ZINC000004550981 570896818 /nfs/dbraw/zinc/89/68/18/570896818.db2.gz KWYMJSLDBPWJMP-LTGZKZEYSA-N 0 0 384.435 4.538 50 10 GJCARN COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1O ZINC000013915507 570902906 /nfs/dbraw/zinc/90/29/06/570902906.db2.gz RCKDYYQKEYUSNA-GHXNOFRVSA-N 0 0 377.227 4.514 50 10 GJCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 ZINC000033347410 570992152 /nfs/dbraw/zinc/99/21/52/570992152.db2.gz YPYXAYZAEQMFHZ-UYRXBGFRSA-N 0 0 399.491 4.778 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OC ZINC000016682878 210193649 /nfs/dbraw/zinc/19/36/49/210193649.db2.gz UXUHBERKOMZDIC-ZHZULCJRSA-N 0 0 391.467 4.579 50 10 GJCARN O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc(Cl)c1 ZINC000016398885 210189579 /nfs/dbraw/zinc/18/95/79/210189579.db2.gz AWFLAWHAOWFKFO-KSBORENUSA-N 0 0 392.845 4.803 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000013282660 210056572 /nfs/dbraw/zinc/05/65/72/210056572.db2.gz GBAJYLXGOHSYEU-YBEGLDIGSA-N 0 0 390.668 4.821 50 10 GJCARN COc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 ZINC000002402207 209361683 /nfs/dbraw/zinc/36/16/83/209361683.db2.gz XKDANAWHQFOUBK-WOJGMQOQSA-N 0 0 380.494 4.593 50 10 GJCARN O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1Cc1ccc(F)cc1 ZINC000001104049 209300268 /nfs/dbraw/zinc/30/02/68/209300268.db2.gz MTQNIROPBRYIIH-GHXNOFRVSA-N 0 0 398.278 4.583 50 10 GJCARN FC(F)(F)c1ccccc1NC(=S)NNc1ccc(-c2csnn2)cc1 ZINC000001035030 209290948 /nfs/dbraw/zinc/29/09/48/209290948.db2.gz KKAKQUOHXZDIJY-UHFFFAOYSA-N 0 0 395.435 4.537 50 10 GJCARN COc1ccc(O)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 ZINC000001007323 209288843 /nfs/dbraw/zinc/28/88/43/209288843.db2.gz RBUBSYQAYDNEIB-UTKZUKDTSA-N 0 0 378.453 4.705 50 10 GJCARN CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1C ZINC000000686546 209258994 /nfs/dbraw/zinc/25/89/94/209258994.db2.gz XMWSFXQAQZPDHN-CAOOACKPSA-N 0 0 392.286 4.525 50 10 GJCARN COc1ccc(NC(=S)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000001068034 203880033 /nfs/dbraw/zinc/88/00/33/203880033.db2.gz IILLRBCLHJABSA-UHFFFAOYSA-N 0 0 395.528 4.753 50 10 GJCARN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000001112020 203884571 /nfs/dbraw/zinc/88/45/71/203884571.db2.gz ASSPTUOEJLYBNP-XGICHPGQSA-N 0 0 376.330 4.859 50 10 GJCARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4ccco4)c(Cl)cc32)cc1 ZINC000001154971 203889860 /nfs/dbraw/zinc/88/98/60/203889860.db2.gz IQASDUKWAJGWGU-UHFFFAOYSA-N 0 0 396.782 4.934 50 10 GJCARN CC(=O)COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000004525892 204050943 /nfs/dbraw/zinc/05/09/43/204050943.db2.gz AMILYDPVXUZQPA-UHFFFAOYSA-N 0 0 380.403 4.835 50 10 GJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S ZINC000005419559 204130548 /nfs/dbraw/zinc/13/05/48/204130548.db2.gz WHJXWLVCNUSNND-SLIIDIDTSA-N 0 0 381.522 4.972 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2C)c1 ZINC000006721774 204194200 /nfs/dbraw/zinc/19/42/00/204194200.db2.gz CYCMHRYHOVHLML-URXFXBBRSA-N 0 0 386.451 4.952 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccncc1 ZINC000006721646 204194282 /nfs/dbraw/zinc/19/42/82/204194282.db2.gz IYHBKSIFFHRMLY-NQIIRXRSSA-N 0 0 377.831 4.683 50 10 GJCARN COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000006930574 204225667 /nfs/dbraw/zinc/22/56/67/204225667.db2.gz HRYHDIHPHFYPDI-BCTVWOGZSA-N 0 0 378.881 4.669 50 10 GJCARN COc1cc(SC)ccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000007814273 204253067 /nfs/dbraw/zinc/25/30/67/204253067.db2.gz SGISNOPBRYTEQH-UHFFFAOYSA-N 0 0 384.545 4.680 50 10 GJCARN CCOc1ccccc1NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C ZINC000009228879 204303437 /nfs/dbraw/zinc/30/34/37/204303437.db2.gz MHEFRTGGEXETCA-UHFFFAOYSA-N 0 0 393.487 4.823 50 10 GJCARN Cc1cc(CNC(=O)NCc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000009228826 204303505 /nfs/dbraw/zinc/30/35/05/204303505.db2.gz MQQKKNOGYUGXBE-UHFFFAOYSA-N 0 0 385.870 4.886 50 10 GJCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccc(F)cc3F)c2C)cc1 ZINC000009228673 204303710 /nfs/dbraw/zinc/30/37/10/204303710.db2.gz LXYVSWVWKXCJHW-UHFFFAOYSA-N 0 0 385.414 4.703 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000013615409 204498922 /nfs/dbraw/zinc/49/89/22/204498922.db2.gz YQZKOUOSWQKKJB-GPMSIDNRSA-N 0 0 381.388 4.728 50 10 GJCARN COc1cc(Cl)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1O ZINC000015011622 204553032 /nfs/dbraw/zinc/55/30/32/204553032.db2.gz HUZUAVZJTJGLSE-ZSOIEALJSA-N 0 0 383.922 4.588 50 10 GJCARN CCN1C(=O)/C(=C2\Sc3ccccc3N2C2CCCCC2)SC1=S ZINC000038201259 204833745 /nfs/dbraw/zinc/83/37/45/204833745.db2.gz FVJMRMOWCONHFZ-BMRADRMJSA-N 0 0 376.572 4.981 50 10 GJCARN COc1ccc2c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c[nH]c2c1 ZINC000008991605 211601847 /nfs/dbraw/zinc/60/18/47/211601847.db2.gz LYEFESTWONFECU-YBFXNURJSA-N 0 0 394.521 4.620 50 10 GJCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCc1ccc(Cl)cc1 ZINC000100111159 211381905 /nfs/dbraw/zinc/38/19/05/211381905.db2.gz AMSKBYOIKZZYDS-XMHGGMMESA-N 0 0 385.870 4.698 50 10 GJCARN CC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2ccc(O)c(O)c2)S1 ZINC000079474248 211156511 /nfs/dbraw/zinc/15/65/11/211156511.db2.gz RQLWPKMTHGTGJX-SFHVURJKSA-N 0 0 385.876 4.882 50 10 GJCARN CN(C)c1ccc(CNc2ccc(-c3nc(-c4ccc(F)cc4)no3)cn2)cc1 ZINC000064676958 210944387 /nfs/dbraw/zinc/94/43/87/210944387.db2.gz BUCZWLKQAGSYRJ-UHFFFAOYSA-N 0 0 389.434 4.616 50 10 GJCARN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccc(O)cc1 ZINC000001002974 220472101 /nfs/dbraw/zinc/47/21/01/220472101.db2.gz XCVQKXMSKDWAQL-NTEUORMPSA-N 0 0 392.299 4.561 50 10 GJCARN COc1cccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cl)c1O ZINC000071817164 136166758 /nfs/dbraw/zinc/16/67/58/136166758.db2.gz JGYNKFQSJRBRGV-OAQYLSRUSA-N 0 0 394.858 4.850 50 10 GJCARN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000001457105 570226893 /nfs/dbraw/zinc/22/68/93/570226893.db2.gz DNISFMNDUPEVBF-LFIBNONCSA-N 0 0 398.506 4.628 50 10 GJCARN O=C1/C(=C\c2ccc3cccc(Cl)c3n2)SC(=S)N1c1ccc(O)cc1 ZINC000009483452 570227474 /nfs/dbraw/zinc/22/74/74/570227474.db2.gz SOOQZMVEQQDVSA-MHWRWJLKSA-N 0 0 398.896 5.000 50 10 GJCARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001194351 570256995 /nfs/dbraw/zinc/25/69/95/570256995.db2.gz PZGSAAGYVLUUNY-ZSOIEALJSA-N 0 0 381.400 4.817 50 10 GJCARN CN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000006178534 570281842 /nfs/dbraw/zinc/28/18/42/570281842.db2.gz MSWXYDVAGKOUQQ-MHWRWJLKSA-N 0 0 375.902 4.750 50 10 GJCARN Cc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000033398536 570302721 /nfs/dbraw/zinc/30/27/21/570302721.db2.gz RJMGQXYYDCHYLE-NVNXTCNLSA-N 0 0 390.873 4.962 50 10 GJCARN CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000002825544 570305089 /nfs/dbraw/zinc/30/50/89/570305089.db2.gz LFPBYQAXAFCQKJ-CXUHLZMHSA-N 0 0 392.908 4.951 50 10 GJCARN Cc1ccc(C)c(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000022228955 570308049 /nfs/dbraw/zinc/30/80/49/570308049.db2.gz GFYNLDVLFYKZQE-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1-c1ccccc1 ZINC000004835168 570310344 /nfs/dbraw/zinc/31/03/44/570310344.db2.gz CWAVKZMNXLPNLY-UHFFFAOYSA-N 0 0 388.496 4.650 50 10 GJCARN CN(C)c1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1 ZINC000006273037 570356585 /nfs/dbraw/zinc/35/65/85/570356585.db2.gz YODILJITDKDCHN-MHWRWJLKSA-N 0 0 392.908 4.951 50 10 GJCARN CN(C)c1ncnc2c1N=C1CC(C)(C)CC(NCc3ccccc3)=C1S2 ZINC000004953802 570381092 /nfs/dbraw/zinc/38/10/92/570381092.db2.gz JVCOKWALGWAKGD-UHFFFAOYSA-N 0 0 379.533 4.542 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(OC)cc1 ZINC000102876306 570383409 /nfs/dbraw/zinc/38/34/09/570383409.db2.gz UKWAVKMZMYXVGS-KGENOOAVSA-N 0 0 391.467 4.579 50 10 GJCARN CC(=O)Nc1c(C)ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1C ZINC000004708582 570396511 /nfs/dbraw/zinc/39/65/11/570396511.db2.gz QPXKNASRDNJGFG-UHFFFAOYSA-N 0 0 398.462 4.648 50 10 GJCARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(SCc4ccccc4)o3)C2=N)S1 ZINC000005028577 570399257 /nfs/dbraw/zinc/39/92/57/570399257.db2.gz GAPSUUIZYSQZCO-KTVYXKAUSA-N 0 0 381.482 4.739 50 10 GJCARN Cc1cccc(C)c1OCCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000004755096 570403124 /nfs/dbraw/zinc/40/31/24/570403124.db2.gz LYTLXUASFMBCDY-QGOAFFKASA-N 0 0 399.537 4.640 50 10 GJCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000015911567 570404833 /nfs/dbraw/zinc/40/48/33/570404833.db2.gz KQWWSRSQBFYZRG-QPEQYQDCSA-N 0 0 383.325 4.890 50 10 GJCARN Fc1ccc(-c2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)o2)cc1 ZINC000002396694 570482411 /nfs/dbraw/zinc/48/24/11/570482411.db2.gz ZSWZXPNSZLYAJO-UHFFFAOYSA-N 0 0 384.451 4.723 50 10 GJCARN CCn1c2ccccc2c2cc(C=C3C(=O)OC4(CCCC4)OC3=O)ccc21 ZINC000002222857 570542975 /nfs/dbraw/zinc/54/29/75/570542975.db2.gz YBPUMCQRJLFNKY-UHFFFAOYSA-N 0 0 375.424 4.568 50 10 GJCARN COc1cccc2c1O[C@H](c1ccccc1F)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721729 570550416 /nfs/dbraw/zinc/55/04/16/570550416.db2.gz QJEYNWDOXNZLHL-AUSIDOKSSA-N 0 0 390.414 4.782 50 10 GJCARN CCCCOC(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000044836177 570634003 /nfs/dbraw/zinc/63/40/03/570634003.db2.gz NKKMGZWTAODULZ-UHFFFAOYSA-N 0 0 378.266 4.724 50 10 GJCARN CC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000239402679 570683121 /nfs/dbraw/zinc/68/31/21/570683121.db2.gz QZEVZHPZXRMEDG-VSALZBCGSA-N 0 0 385.482 5.923 50 10 GJCARN COc1ccc(C2(Nc3ccc(F)cc3C)C(=O)c3ccccc3C2=O)cc1 ZINC000007003038 570737786 /nfs/dbraw/zinc/73/77/86/570737786.db2.gz XDNMCNONAKTGAA-UHFFFAOYSA-N 0 0 375.399 4.529 50 10 GJCARN O=[N+]([O-])c1ccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2O)cc1 ZINC000001004567 570745820 /nfs/dbraw/zinc/74/58/20/570745820.db2.gz VBMBLYPJQKXYQD-MRXNPFEDSA-N 0 0 378.413 4.507 50 10 GJCARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(Br)cc1 ZINC000013601312 570762003 /nfs/dbraw/zinc/76/20/03/570762003.db2.gz XSXACFSZNVHGDZ-ZROIWOOFSA-N 0 0 392.299 4.561 50 10 GJCARN O=C1N=C(Nc2ccc(Br)cc2)SC1=CC=Cc1ccco1 ZINC000013811133 570791163 /nfs/dbraw/zinc/79/11/63/570791163.db2.gz UPWCXRIAKWXIBS-NQDFZQDQSA-N 0 0 375.247 4.681 50 10 GJCARN O=C1NC(=S)S/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000001216276 570814528 /nfs/dbraw/zinc/81/45/28/570814528.db2.gz MKEPCBKAUSRHCQ-XDHOZWIPSA-N 0 0 377.490 4.908 50 10 GJCARN CC(=O)N(/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O)c1ccccc1C ZINC000004545605 570857051 /nfs/dbraw/zinc/85/70/51/570857051.db2.gz BBJGIHCQLXCFEC-CCNLRRDASA-N 0 0 396.537 4.811 50 10 GJCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=N)S1 ZINC000004725356 570865997 /nfs/dbraw/zinc/86/59/97/570865997.db2.gz YURSGAFBUYCHTH-AXPJIBDUSA-N 0 0 396.447 4.895 50 10 GJCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccccn1 ZINC000102907284 570871047 /nfs/dbraw/zinc/87/10/47/570871047.db2.gz MYCVCSHANFGYPJ-NQIIRXRSSA-N 0 0 377.831 4.683 50 10 GJCARN CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1O ZINC000013914868 570902868 /nfs/dbraw/zinc/90/28/68/570902868.db2.gz IOQAFNONXFOGSU-JYRVWZFOSA-N 0 0 391.254 4.904 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCC ZINC000016692878 570931323 /nfs/dbraw/zinc/93/13/23/570931323.db2.gz FDDDPWDHKJQHGS-UYRXBGFRSA-N 0 0 399.537 4.885 50 10 GJCARN O=C(CCCN1C(=O)S/C(=C\c2ccccc2)C1=S)Nc1ccccc1 ZINC000001236309 570942187 /nfs/dbraw/zinc/94/21/87/570942187.db2.gz XRLAVLBRFWBQAT-VKAVYKQESA-N 0 0 382.510 4.943 50 10 GJCARN CC(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000801073 570952654 /nfs/dbraw/zinc/95/26/54/570952654.db2.gz FZZKXYZKZSGQJS-IBGZPJMESA-N 0 0 397.906 4.521 50 10 GJCARN Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000016266920 210187116 /nfs/dbraw/zinc/18/71/16/210187116.db2.gz UWPBTWZZLKXTCT-DEDYPNTBSA-N 0 0 395.890 4.736 50 10 GJCARN C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000016156658 210185733 /nfs/dbraw/zinc/18/57/33/210185733.db2.gz JCQGIVSDDJGSEY-VCRXTVNUSA-N 0 0 379.506 4.795 50 10 GJCARN Cc1ccnc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2O)c1 ZINC000015015680 210143171 /nfs/dbraw/zinc/14/31/71/210143171.db2.gz QDORQCOMNULDDO-OAQYLSRUSA-N 0 0 385.423 4.574 50 10 GJCARN CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1cccc(Br)c1 ZINC000013914498 210095248 /nfs/dbraw/zinc/09/52/48/210095248.db2.gz FVNDFABHXNZDGS-UVTDQMKNSA-N 0 0 375.653 4.909 50 10 GJCARN Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000013800528 210092560 /nfs/dbraw/zinc/09/25/60/210092560.db2.gz VEEYPBYKNHELKV-JXAWBTAJSA-N 0 0 396.537 4.615 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000013615440 210071948 /nfs/dbraw/zinc/07/19/48/210071948.db2.gz GPVNEYGIFCJEQU-JTDSTZFVSA-N 0 0 381.388 4.728 50 10 GJCARN Cc1c(C(=O)NCc2cccnc2)cc(-c2ccccc2)n1-c1ccccc1F ZINC000004629925 209504552 /nfs/dbraw/zinc/50/45/52/209504552.db2.gz JBCFGGNMOVUFHS-UHFFFAOYSA-N 0 0 385.442 4.917 50 10 GJCARN COC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 ZINC000004482826 209490252 /nfs/dbraw/zinc/49/02/52/209490252.db2.gz SWZZRQNGOIZNMQ-XNTDXEJSSA-N 0 0 389.885 4.532 50 10 GJCARN Cc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 ZINC000002843950 209390118 /nfs/dbraw/zinc/39/01/18/209390118.db2.gz GXIMMAAQSQAEPY-XMHGGMMESA-N 0 0 399.537 4.674 50 10 GJCARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000002768684 209383520 /nfs/dbraw/zinc/38/35/20/209383520.db2.gz QPMHSWBHCZSLAV-GIDUJCDVSA-N 0 0 393.848 4.614 50 10 GJCARN CCCCCN1C(=O)/C(=C2\c3ccccc3N(CCCC)C2=O)SC1=S ZINC000002672913 209377212 /nfs/dbraw/zinc/37/72/12/209377212.db2.gz ZUGSTPKPEBTJIW-MSUUIHNZSA-N 0 0 388.558 4.595 50 10 GJCARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S ZINC000002305096 209356295 /nfs/dbraw/zinc/35/62/95/209356295.db2.gz MRIYSLASVGWKTK-GPLLRDDGSA-N 0 0 379.547 4.818 50 10 GJCARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1O)Nc1ccccc1-2 ZINC000002057032 209344442 /nfs/dbraw/zinc/34/44/42/209344442.db2.gz WDGGLTNSKRCZLU-GOSISDBHSA-N 0 0 380.473 4.640 50 10 GJCARN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc(Br)o1 ZINC000001163328 209309004 /nfs/dbraw/zinc/30/90/04/209309004.db2.gz IGGVNPLJMRFDLI-XFFZJAGNSA-N 0 0 383.654 4.778 50 10 GJCARN Cc1cc2c(n1-c1ccc(I)cc1)CC(C)(C)CC2=O ZINC000001112482 209301363 /nfs/dbraw/zinc/30/13/63/209301363.db2.gz YLRQKEYJLJEVCK-UHFFFAOYSA-N 0 0 379.241 4.545 50 10 GJCARN CCO[C@]1(c2ccccc2)C[C@@H](c2ccccc2)C2(O1)C(=O)c1ccccc1C2=O ZINC000000863737 209274282 /nfs/dbraw/zinc/27/42/82/209274282.db2.gz INKRWDBAPNARHJ-WIOPSUGQSA-N 0 0 398.458 4.898 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)c1 ZINC000245297243 209218307 /nfs/dbraw/zinc/21/83/07/209218307.db2.gz RRBSJZBOPZMMPK-OFNKIYASSA-N 0 0 390.414 4.782 50 10 GJCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1 ZINC000033908968 209183257 /nfs/dbraw/zinc/18/32/57/209183257.db2.gz USMBWWBMEZYPMS-ZHZULCJRSA-N 0 0 395.528 4.947 50 10 GJCARN CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003953810 204022714 /nfs/dbraw/zinc/02/27/14/204022714.db2.gz LCHYXWHFOJGIHN-UHFFFAOYSA-N 0 0 375.472 4.907 50 10 in-vitro GJCARN O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1 ZINC000003941698 204023090 /nfs/dbraw/zinc/02/30/90/204023090.db2.gz YJZSUCFGHXQWDM-UHFFFAOYSA-N 0 0 393.483 4.836 50 10 investigational GJCARN Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000004895394 204086970 /nfs/dbraw/zinc/08/69/70/204086970.db2.gz NYSMVEWFJAVBMK-UHFFFAOYSA-N 0 0 391.402 4.545 50 10 GJCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000004670419 204062259 /nfs/dbraw/zinc/06/22/59/204062259.db2.gz GZDHCLWEANJAEB-RGEXLXHISA-N 0 0 385.891 4.903 50 10 GJCARN COc1ccc(N2CCN(c3nc4ccccc4c(-c4ccccc4)n3)CC2)cc1 ZINC000006585134 204185236 /nfs/dbraw/zinc/18/52/36/204185236.db2.gz JHYXHIOKZDDTRV-UHFFFAOYSA-N 0 0 396.494 4.632 50 10 GJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccnc1 ZINC000006721635 204194427 /nfs/dbraw/zinc/19/44/27/204194427.db2.gz MSENSSDQASDNBY-GHTZIAJQSA-N 0 0 377.831 4.683 50 10 GJCARN O=C1N=C(Nc2cccc(Cl)c2Cl)SC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000012032565 204368441 /nfs/dbraw/zinc/36/84/41/204368441.db2.gz BXURRECLRWVEQO-JYRVWZFOSA-N 0 0 394.239 4.984 50 10 GJCARN COc1ccc(Cl)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000022309820 204779232 /nfs/dbraw/zinc/77/92/32/204779232.db2.gz NBMFFHFHOCQIPM-YBEGLDIGSA-N 0 0 375.902 4.750 50 10 GJCARN O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000040123024 205054918 /nfs/dbraw/zinc/05/49/18/205054918.db2.gz FMYDOOKPIVNMLK-HNNXBMFYSA-N 0 0 395.286 4.912 50 10 GJCARN Oc1cccnc1N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O ZINC000049757089 205130466 /nfs/dbraw/zinc/13/04/66/205130466.db2.gz KKYHNYRUBSYTCZ-SFHVURJKSA-N 0 0 377.831 4.896 50 10 in-vitro GJCARN O=C1C(=CNc2ccc(Oc3ccccc3)cc2)C=NN1c1cccc(Cl)n1 ZINC000100403046 205607085 /nfs/dbraw/zinc/60/70/85/205607085.db2.gz RNXAJXCVNRHJCR-SQFISAMPSA-N 0 0 390.830 4.856 50 10 GJCARN CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000005214686 205764113 /nfs/dbraw/zinc/76/41/13/205764113.db2.gz NZMFTAXZEXTGKO-NTCAYCPXSA-N 0 0 397.949 4.665 50 10 GJCARN COc1ccc(N=Nc2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000006420293 206219439 /nfs/dbraw/zinc/21/94/39/206219439.db2.gz POXSZBYGWOVRFJ-WCWDXBQESA-N 0 0 385.811 4.748 50 10 GJCARN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000100249840 211383641 /nfs/dbraw/zinc/38/36/41/211383641.db2.gz JWCWDCIBFWOKEX-XSFVSMFZSA-N 0 0 387.395 4.528 50 10 GJCARN Cc1cc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)no1 ZINC000072111635 211069727 /nfs/dbraw/zinc/06/97/27/211069727.db2.gz SIDMGRZTVYVEFH-UHFFFAOYSA-N 0 0 396.447 4.905 50 10 GJCARN COc1ccc2nc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)ccc2c1 ZINC000051330805 210869860 /nfs/dbraw/zinc/86/98/60/210869860.db2.gz VBCPNPFWTJVVQZ-UNOMPAQXSA-N 0 0 392.505 4.645 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000051330655 210869562 /nfs/dbraw/zinc/86/95/62/210869562.db2.gz QMBQNUOVJOBXNH-YVLHZVERSA-N 0 0 389.473 4.639 50 10 GJCARN CC1CCN(CN2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)CC1 ZINC000019830670 210299799 /nfs/dbraw/zinc/29/97/99/210299799.db2.gz UKVHWRWCXUNIMN-QGOAFFKASA-N 0 0 388.602 4.875 50 10 GJCARN CCCCOc1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 ZINC000002115452 535324283 /nfs/dbraw/zinc/32/42/83/535324283.db2.gz PESOIZFSGZCJDF-UHFFFAOYSA-N 0 0 379.456 4.945 50 10 biogenic GJCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001195738 570257431 /nfs/dbraw/zinc/25/74/31/570257431.db2.gz ZYMOKNLVUCEJSA-MKMNVTDBSA-N 0 0 383.325 4.890 50 10 GJCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCc1cccs1 ZINC000100617686 570273655 /nfs/dbraw/zinc/27/36/55/570273655.db2.gz MCVLKGKBOJAPAV-WYMLVPIESA-N 0 0 382.514 4.534 50 10 GJCARN Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1 ZINC000002830390 570305434 /nfs/dbraw/zinc/30/54/34/570305434.db2.gz SFWMMZCFLPUBBI-NDENLUEZSA-N 0 0 391.858 4.845 50 10 GJCARN Cc1ccc(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1C ZINC000002958553 570320193 /nfs/dbraw/zinc/32/01/93/570320193.db2.gz VLTWDUJKWLEMNF-CPNJWEJPSA-N 0 0 399.537 4.592 50 10 GJCARN CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004142715 570359337 /nfs/dbraw/zinc/35/93/37/570359337.db2.gz QFVKLZGECVOENR-TXPKVOOTSA-N 0 0 397.316 4.977 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000004754624 570402984 /nfs/dbraw/zinc/40/29/84/570402984.db2.gz BGDCXIANXLEHAN-XDHOZWIPSA-N 0 0 399.537 4.804 50 10 GJCARN Cc1ccc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1C ZINC000004755128 570403075 /nfs/dbraw/zinc/40/30/75/570403075.db2.gz ZUPZMTUUGMAINF-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CC(C)(C)c1nc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)no1 ZINC000028016116 570449636 /nfs/dbraw/zinc/44/96/36/570449636.db2.gz RIJYHYSLHPBVAB-INIZCTEOSA-N 0 0 398.532 4.702 50 10 GJCARN COC[C@H](C)n1c(C)cc(C(=O)CSc2ncc(-c3ccccc3)n2C)c1C ZINC000005175190 570493461 /nfs/dbraw/zinc/49/34/61/570493461.db2.gz HYJBNHYFXFGFCT-INIZCTEOSA-N 0 0 397.544 4.688 50 10 GJCARN CCN1c2ccccc2O/C1=C/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000033906331 570529767 /nfs/dbraw/zinc/52/97/67/570529767.db2.gz AVTGBYABIMHCHW-MGYAYREDSA-N 0 0 394.521 4.691 50 10 GJCARN Oc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4O)=NN32)cc1 ZINC000006721632 570550426 /nfs/dbraw/zinc/55/04/26/570550426.db2.gz PUNIZFWMYQLHJN-DENIHFKCSA-N 0 0 392.842 4.994 50 10 GJCARN COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000006781026 570589141 /nfs/dbraw/zinc/58/91/41/570589141.db2.gz YCDQKXYGXXMFRB-UHFFFAOYSA-N 0 0 382.847 4.578 50 10 GJCARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000012374668 570649083 /nfs/dbraw/zinc/64/90/83/570649083.db2.gz JECRXPLYQIXZIH-ZROIWOOFSA-N 0 0 376.846 4.654 50 10 GJCARN CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@@H]21 ZINC000239402678 570683095 /nfs/dbraw/zinc/68/30/95/570683095.db2.gz QZEVZHPZXRMEDG-PLNGWDEDSA-N 0 0 385.482 5.923 50 10 GJCARN CCc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1 ZINC000012616801 570691098 /nfs/dbraw/zinc/69/10/98/570691098.db2.gz FCCVFVFNEOWXSY-PDGQHHTCSA-N 0 0 391.521 4.591 50 10 GJCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)Nc4ccccc43)c2C)cc1 ZINC000012693969 570698573 /nfs/dbraw/zinc/69/85/73/570698573.db2.gz KJMBITURMQVLJT-STZFKDTASA-N 0 0 386.451 4.764 50 10 GJCARN CCCCOC(=O)[C@@H](CC)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000001778891 570812997 /nfs/dbraw/zinc/81/29/97/570812997.db2.gz PCUPFZKKWTVGPL-HXUWFJFHSA-N 0 0 380.440 4.961 50 10 GJCARN CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4cccc(C)c4)N=C3C)sc2c1 ZINC000101123749 570815330 /nfs/dbraw/zinc/81/53/30/570815330.db2.gz ZREMJQKEXRWPSO-SFQUDFHCSA-N 0 0 392.484 4.722 50 10 GJCARN CCCOc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)cc1OCC ZINC000013915483 570902840 /nfs/dbraw/zinc/90/28/40/570902840.db2.gz CEXYEXMKQGCZNB-XSFVSMFZSA-N 0 0 378.472 4.989 50 10 GJCARN COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC ZINC000017282388 570932174 /nfs/dbraw/zinc/93/21/74/570932174.db2.gz PUEMRTVSGBFDEX-ZSOIEALJSA-N 0 0 391.254 4.817 50 10 GJCARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000002072237 570932406 /nfs/dbraw/zinc/93/24/06/570932406.db2.gz XLTPDMNUFDKRFX-HMMYKYKNSA-N 0 0 378.497 4.722 50 10 GJCARN COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000013712736 210082975 /nfs/dbraw/zinc/08/29/75/210082975.db2.gz REWPSAYERHOMCG-NVNXTCNLSA-N 0 0 379.865 4.894 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)c1 ZINC000006721770 209673957 /nfs/dbraw/zinc/67/39/57/209673957.db2.gz RRBSJZBOPZMMPK-NFBKMPQASA-N 0 0 390.414 4.782 50 10 GJCARN CCCC(O)(CCC)C(=O)N=NC1C(=O)Nc2ccc(Br)cc21 ZINC000004553230 209495749 /nfs/dbraw/zinc/49/57/49/209495749.db2.gz GUGHLEKVUFXOKN-FMQUCBEESA-N 0 0 382.258 4.578 50 10 GJCARN O=C1c2ccccc2C(=O)c2c1cc(Cl)c1nc3c4ccccc4nc-3oc12 ZINC000004015382 209458771 /nfs/dbraw/zinc/45/87/71/209458771.db2.gz OMIQFSKYVAJSKG-UHFFFAOYSA-N 0 0 384.778 4.910 50 10 GJCARN O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1Cc1ccc(F)cc1 ZINC000002533553 209368268 /nfs/dbraw/zinc/36/82/68/209368268.db2.gz CWSILSUGWFZSGL-ZDLGFXPLSA-N 0 0 383.469 4.546 50 10 GJCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000002507804 209367693 /nfs/dbraw/zinc/36/76/93/209367693.db2.gz DKKWATHNOGPOLH-AQTBWJFISA-N 0 0 391.521 4.760 50 10 GJCARN O=C1NC(=S)S/C1=C\c1ccccc1OCc1cccc2ccccc21 ZINC000002772255 209383312 /nfs/dbraw/zinc/38/33/12/209383312.db2.gz ZYUCPSFLJIQNBA-UNOMPAQXSA-N 0 0 377.490 4.908 50 10 GJCARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S ZINC000002305098 209355629 /nfs/dbraw/zinc/35/56/29/209355629.db2.gz MRIYSLASVGWKTK-MFVBVHDHSA-N 0 0 379.547 4.818 50 10 GJCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 ZINC000001107728 209301105 /nfs/dbraw/zinc/30/11/05/209301105.db2.gz REXRXDSGTFAYMO-RIYZIHGNSA-N 0 0 376.846 4.654 50 10 GJCARN O=C1/C(=C\c2ccccc2OC(F)F)SC(=S)N1c1ccc(F)cc1 ZINC000009452125 209273467 /nfs/dbraw/zinc/27/34/67/209273467.db2.gz KOLUDRIUPFIIAI-NTEUORMPSA-N 0 0 381.400 4.833 50 10 GJCARN Cc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000000855588 209272726 /nfs/dbraw/zinc/27/27/26/209272726.db2.gz SGMUTMBUJAZEJZ-HSZRJFAPSA-N 0 0 382.463 4.697 50 10 GJCARN CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cccs2)cc1 ZINC000000666434 203846996 /nfs/dbraw/zinc/84/69/96/203846996.db2.gz KQSRYPRTYGKWAE-FQEVSTJZSA-N 0 0 375.497 4.806 50 10 GJCARN Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000001417221 203907847 /nfs/dbraw/zinc/90/78/47/203907847.db2.gz MZGYIBZAYZSAMN-XDHOZWIPSA-N 0 0 393.537 4.948 50 10 GJCARN CC(=O)N(CC[C@H](c1ccco1)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000001243347 203899711 /nfs/dbraw/zinc/89/97/11/203899711.db2.gz URUHSCWNIJRGSB-QHCPKHFHSA-N 0 0 376.500 4.916 50 10 GJCARN CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S ZINC000004700300 204065742 /nfs/dbraw/zinc/06/57/42/204065742.db2.gz MKGTUPWRGWFHME-PDGQHHTCSA-N 0 0 385.510 4.672 50 10 GJCARN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)c2ccccc2N1c1ccccc1 ZINC000004682231 204062605 /nfs/dbraw/zinc/06/26/05/204062605.db2.gz DJRIHPQGQXUHEX-PTGBLXJZSA-N 0 0 382.463 4.742 50 10 GJCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCOc1ccccc1 ZINC000004680312 204063613 /nfs/dbraw/zinc/06/36/13/204063613.db2.gz VSBXFDXBSQJXKY-VBKFSLOCSA-N 0 0 375.902 4.620 50 10 GJCARN O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1ccccc1Cl ZINC000334161073 209178837 /nfs/dbraw/zinc/17/88/37/209178837.db2.gz SDAOBUNTGQKBBF-DHDCSXOGSA-N 0 0 378.881 4.750 50 10 GJCARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000006781017 204205077 /nfs/dbraw/zinc/20/50/77/204205077.db2.gz GUSAIAIQDYMVTJ-UHFFFAOYSA-N 0 0 376.456 4.623 50 10 GJCARN O=C1/C(=C\c2ccccc2Br)SC(=S)N1c1ccccc1F ZINC000006863663 204216297 /nfs/dbraw/zinc/21/62/97/204216297.db2.gz PMJMQWDEMURPEO-NTEUORMPSA-N 0 0 394.290 4.994 50 10 GJCARN COc1ccccc1CNC(=O)c1ccc(-n2c(C)cc3c2CC[C@@H](C)C3)cc1 ZINC000006877961 204218641 /nfs/dbraw/zinc/21/86/41/204218641.db2.gz BJWFONVFGTYOAX-QGZVFWFLSA-N 0 0 388.511 4.849 50 10 GJCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl ZINC000006438509 204178859 /nfs/dbraw/zinc/17/88/59/204178859.db2.gz SRQYMBVUSJFGKF-NTEUORMPSA-N 0 0 376.846 4.654 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccc(F)cc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721722 204194565 /nfs/dbraw/zinc/19/45/65/204194565.db2.gz NAACHQHLZYGKBJ-XXBNENTESA-N 0 0 390.414 4.782 50 10 GJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccncc1 ZINC000006721633 204194833 /nfs/dbraw/zinc/19/48/33/204194833.db2.gz KMGMZDOWWQGNPC-GHTZIAJQSA-N 0 0 377.831 4.683 50 10 GJCARN O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc(O)c(O)c1 ZINC000334163089 209178414 /nfs/dbraw/zinc/17/84/14/209178414.db2.gz LITFYRUWLGDIMP-UHFFFAOYSA-N 0 0 388.448 4.683 50 10 GJCARN CCc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000009228628 204302896 /nfs/dbraw/zinc/30/28/96/204302896.db2.gz WNNIUWFKTJNNGV-UHFFFAOYSA-N 0 0 377.488 4.987 50 10 GJCARN CCc1ccccc1NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C ZINC000009228885 204303063 /nfs/dbraw/zinc/30/30/63/204303063.db2.gz KCUBYYNKRKASGO-UHFFFAOYSA-N 0 0 377.488 4.987 50 10 GJCARN O=C(c1ccccc1Br)N(Cc1ccco1)Cc1ccccc1O ZINC000071797578 205296682 /nfs/dbraw/zinc/29/66/82/205296682.db2.gz PGDUKAUMLJITFF-UHFFFAOYSA-N 0 0 386.245 4.590 50 10 GJCARN Cc1ccc([S@](C)(=O)=Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000101367759 205621150 /nfs/dbraw/zinc/62/11/50/205621150.db2.gz KVLLQUPYHFLHFX-MHZLTWQESA-N 0 0 375.449 4.559 50 10 GJCARN COc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2[O-])c2ccccc2n1 ZINC000225408849 206045938 /nfs/dbraw/zinc/04/59/38/206045938.db2.gz ADSJOGRCZCGJET-GFCCVEGCSA-N 0 0 376.378 4.819 50 10 GJCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Br)s1 ZINC000032772565 206092284 /nfs/dbraw/zinc/09/22/84/206092284.db2.gz ZHWQZRIIGWKFLS-UHFFFAOYSA-N 0 0 393.350 4.773 50 10 GJCARN CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2CC)SC1=S ZINC000100199154 211384808 /nfs/dbraw/zinc/38/48/08/211384808.db2.gz ZHTUWYKCQFHRAT-MFUUIURDSA-N 0 0 382.963 4.878 50 10 GJCARN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000071326645 211045547 /nfs/dbraw/zinc/04/55/47/211045547.db2.gz HCRIFPXVCDWCAZ-UHFFFAOYSA-N 0 0 394.544 4.808 50 10 GJCARN COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1O ZINC000019843023 210302315 /nfs/dbraw/zinc/30/23/15/210302315.db2.gz HKVBLSRMZHSZFQ-NRFANRHFSA-N 0 0 387.439 4.560 50 10 GJCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[NH+]2[C@@H](C)CCC[C@@H]2C)c1=O ZINC000019790389 210296053 /nfs/dbraw/zinc/29/60/53/210296053.db2.gz HITBXRASXIBMQP-HOTGVXAUSA-N 0 0 393.483 4.937 50 10 biogenic GJCARN C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 ZINC000011915289 221135683 /nfs/dbraw/zinc/13/56/83/221135683.db2.gz VKPKSQGVWPHTQO-KJHCXTEWSA-N 0 0 399.493 4.533 50 10 GJCARN O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 ZINC000101640251 136193040 /nfs/dbraw/zinc/19/30/40/136193040.db2.gz PPHLXSUAQQATPK-OGWHTMIXSA-N 0 0 385.463 4.764 50 10 GJCARN CC(C)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21 ZINC000000801032 570223868 /nfs/dbraw/zinc/22/38/68/570223868.db2.gz ULMIGBBHDBXDDR-QFIPXVFZSA-N 0 0 378.428 4.705 50 10 GJCARN CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000001462021 570229900 /nfs/dbraw/zinc/22/99/00/570229900.db2.gz KLCBPUHSDVOQSZ-BOPFTXTBSA-N 0 0 395.484 4.509 50 10 GJCARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1cccc(F)c1 ZINC000006098466 570243232 /nfs/dbraw/zinc/24/32/32/570243232.db2.gz LPAFEDGHYKVWDH-UHFFFAOYSA-N 0 0 398.507 4.526 50 10 GJCARN COc1cc(C)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000001131514 570245830 /nfs/dbraw/zinc/24/58/30/570245830.db2.gz ZEECDBPBRCQTBA-ODLFYWEKSA-N 0 0 399.537 4.722 50 10 GJCARN COc1ccc(-c2ccc(C(=S)N3CCN(c4ccc(C)cc4)CC3)o2)cc1 ZINC000001153581 570249441 /nfs/dbraw/zinc/24/94/41/570249441.db2.gz ZEHDKYJTSRAHQG-UHFFFAOYSA-N 0 0 392.524 4.761 50 10 GJCARN Cc1cc(Br)c(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1C ZINC000001203064 570257807 /nfs/dbraw/zinc/25/78/07/570257807.db2.gz OYDSBVQGRSHFQU-VGOFMYFVSA-N 0 0 394.315 4.815 50 10 GJCARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(F)cc1 ZINC000001213398 570258611 /nfs/dbraw/zinc/25/86/11/570258611.db2.gz FEQPXAJKFSWCLY-XSFVSMFZSA-N 0 0 387.370 4.568 50 10 GJCARN COc1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001229793 570259217 /nfs/dbraw/zinc/25/92/17/570259217.db2.gz SHUGJFYVMSHNKV-UHFFFAOYSA-N 0 0 384.431 4.576 50 10 GJCARN COc1cccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)c2=O)c1 ZINC000020518590 570264886 /nfs/dbraw/zinc/26/48/86/570264886.db2.gz QNZOGZCTVUHVJK-OAHLLOKOSA-N 0 0 395.455 4.531 50 10 GJCARN Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c(C)c1 ZINC000022228989 570308008 /nfs/dbraw/zinc/30/80/08/570308008.db2.gz HALXXJJIKCLUFS-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000004838769 570312153 /nfs/dbraw/zinc/31/21/53/570312153.db2.gz MYIYJLKVQXWUIR-YBEGLDIGSA-N 0 0 375.902 4.750 50 10 GJCARN COc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000002871245 570313871 /nfs/dbraw/zinc/31/38/71/570313871.db2.gz PFOQFSDCRLSQQE-UHFFFAOYSA-N 0 0 388.536 4.860 50 10 GJCARN Cc1cc(C(=O)CSc2nccc(C(F)(F)F)n2)c(C)n1-c1ccccc1 ZINC000022614362 570323669 /nfs/dbraw/zinc/32/36/69/570323669.db2.gz VRTQUJVRBKLJIU-UHFFFAOYSA-N 0 0 391.418 4.878 50 10 GJCARN CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000801071 570341706 /nfs/dbraw/zinc/34/17/06/570341706.db2.gz LHHBXTYLAYAKHI-FQEVSTJZSA-N 0 0 397.906 4.666 50 10 GJCARN CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004142718 570359457 /nfs/dbraw/zinc/35/94/57/570359457.db2.gz QFVKLZGECVOENR-FRQCXROJSA-N 0 0 397.316 4.977 50 10 GJCARN O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000004819856 570408469 /nfs/dbraw/zinc/40/84/69/570408469.db2.gz AILJZEWLLZKSJO-RIYZIHGNSA-N 0 0 394.836 4.793 50 10 GJCARN O=C1/C(=C\c2cccs2)SC(=S)N1c1cccc(Br)c1 ZINC000005009685 570423728 /nfs/dbraw/zinc/42/37/28/570423728.db2.gz OAHQWRBAGGWDKT-XYOKQWHBSA-N 0 0 382.329 4.916 50 10 GJCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)SC1=S ZINC000005069017 570428144 /nfs/dbraw/zinc/42/81/44/570428144.db2.gz FAABGFLXHVEGKO-MHWRWJLKSA-N 0 0 376.934 4.969 50 10 GJCARN COc1cc([O-])c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000011865265 570440379 /nfs/dbraw/zinc/44/03/79/570440379.db2.gz QLPKJMOJXSWDEW-HOTGVXAUSA-N 0 0 393.483 4.652 50 10 biogenic GJCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)ccc(Br)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000169312226 570480610 /nfs/dbraw/zinc/48/06/10/570480610.db2.gz CMUIDCHCXUFPLC-IGCXYCKISA-N 0 0 387.233 4.889 50 10 GJCARN CCCCN1C(=O)/C(=C/N(C(=O)c2ccccc2)c2ccccc2)SC1=S ZINC000003082339 570502359 /nfs/dbraw/zinc/50/23/59/570502359.db2.gz UZPRIEOSPDGDMU-SDXDJHTJSA-N 0 0 396.537 4.835 50 10 GJCARN O=C1c2ccccc2-c2onc3c2c1c(N1CCCCC1)cc3Br ZINC000006737879 570562175 /nfs/dbraw/zinc/56/21/75/570562175.db2.gz UIUZNSMGGZQEKB-UHFFFAOYSA-N 0 0 383.245 4.792 50 10 GJCARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000006781015 570589143 /nfs/dbraw/zinc/58/91/43/570589143.db2.gz YNMQXFIEOQHOQH-UHFFFAOYSA-N 0 0 376.456 4.623 50 10 GJCARN COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000169681537 570601852 /nfs/dbraw/zinc/60/18/52/570601852.db2.gz DIFXVNPYNFOGAX-KKSFZXQISA-N 0 0 378.453 4.705 50 10 GJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cccc(Br)c1 ZINC000005518585 570622628 /nfs/dbraw/zinc/62/26/28/570622628.db2.gz DZAJKIGXENCGQH-WOJGMQOQSA-N 0 0 384.277 4.784 50 10 GJCARN O=[N+]([O-])c1cccc([C@@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2O)c1 ZINC000036347326 570628748 /nfs/dbraw/zinc/62/87/48/570628748.db2.gz NQSJOIHMGZSYPS-OAQYLSRUSA-N 0 0 397.862 4.751 50 10 GJCARN CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 ZINC000005447357 570662736 /nfs/dbraw/zinc/66/27/36/570662736.db2.gz WSHMGONZXBPPGS-XMHGGMMESA-N 0 0 398.553 4.947 50 10 GJCARN O=C(N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1 ZINC000017360752 570704906 /nfs/dbraw/zinc/70/49/06/570704906.db2.gz QDYVWPBPZWJQMG-IBGZPJMESA-N 0 0 389.842 4.508 50 10 GJCARN COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000006932676 570710629 /nfs/dbraw/zinc/71/06/29/570710629.db2.gz HRYHDIHPHFYPDI-PWJLMRLQSA-N 0 0 378.881 4.669 50 10 GJCARN Cc1cccnc1N[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O ZINC000000947297 570734640 /nfs/dbraw/zinc/73/46/40/570734640.db2.gz WELXVIRRZWBNAN-LJQANCHMSA-N 0 0 386.411 4.754 50 10 GJCARN O=C1N=C(N2CCN(c3cccc4ccccc43)CC2)S/C1=C/c1ccccc1 ZINC000000950639 570737070 /nfs/dbraw/zinc/73/70/70/570737070.db2.gz RFNUJXXVKYJWIG-OQKWZONESA-N 0 0 399.519 4.632 50 10 GJCARN Cc1[nH]c2ccc(NC=C3C(C)=NN(c4cccc5ccccc54)C3=O)cc2[nH+]1 ZINC000101128815 570815726 /nfs/dbraw/zinc/81/57/26/570815726.db2.gz XTMMZHZXHRZASG-CPNJWEJPSA-N 0 0 381.439 4.743 50 10 GJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000101128521 570815817 /nfs/dbraw/zinc/81/58/17/570815817.db2.gz FDCIUUIVDVDDQU-XNTDXEJSSA-N 0 0 382.876 4.977 50 10 GJCARN CCOc1ccc(C=C2SC(Nc3ccccc3CC)=NC2=O)cc1OC ZINC000035042707 570816535 /nfs/dbraw/zinc/81/65/35/570816535.db2.gz ZKOSFZIQGPFOPL-CPNJWEJPSA-N 0 0 382.485 4.739 50 10 GJCARN CCN1c2ccccc2O/C1=C\C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000004579211 570908643 /nfs/dbraw/zinc/90/86/43/570908643.db2.gz KHCYVJJRVIYFQI-HUPOLGGESA-N 0 0 380.494 4.696 50 10 GJCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2n1 ZINC000018190334 570951192 /nfs/dbraw/zinc/95/11/92/570951192.db2.gz SLGDNPHLIHHAMH-OAQYLSRUSA-N 0 0 385.423 4.574 50 10 GJCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000017172961 210205739 /nfs/dbraw/zinc/20/57/39/210205739.db2.gz WMMQCHJDFONXRX-FZOVEGBXSA-N 0 0 390.512 4.878 50 10 GJCARN CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccccc1 ZINC000013942668 210096094 /nfs/dbraw/zinc/09/60/94/210096094.db2.gz XWGGFGPAQMKKBR-CPNJWEJPSA-N 0 0 399.537 4.885 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1O ZINC000013805891 210092528 /nfs/dbraw/zinc/09/25/28/210092528.db2.gz PRJHJWBVKPFISB-CYUIRQCWSA-N 0 0 385.510 4.753 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000013534706 210064430 /nfs/dbraw/zinc/06/44/30/210064430.db2.gz MEOJLAGMNXLGAS-SXGWCWSVSA-N 0 0 391.901 4.763 50 10 GJCARN O=C1C(=CNCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000013146036 210054255 /nfs/dbraw/zinc/05/42/55/210054255.db2.gz DIMHDHXIAXQQQC-PGMHBOJBSA-N 0 0 387.870 4.765 50 10 GJCARN O=C(Nc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1)c1ccco1 ZINC000012774226 210006235 /nfs/dbraw/zinc/00/62/35/210006235.db2.gz WXUGUEFMCUTADK-UHFFFAOYSA-N 0 0 378.409 4.734 50 10 GJCARN COC(=O)CCN1CCc2cc(/N=N/c3ccc(Br)cc3)ccc21 ZINC000004344421 209479645 /nfs/dbraw/zinc/47/96/45/209479645.db2.gz CJACHLONMHTUFC-QZQOTICOSA-N 0 0 388.265 4.790 50 10 GJCARN COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000010215945 209320715 /nfs/dbraw/zinc/32/07/15/209320715.db2.gz GZAQNVKHLVZTIJ-VGOFRKELSA-N 0 0 376.412 4.545 50 10 GJCARN CC(=O)N(CC[C@@H](c1ccco1)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000001243348 209318123 /nfs/dbraw/zinc/31/81/23/209318123.db2.gz URUHSCWNIJRGSB-HSZRJFAPSA-N 0 0 376.500 4.916 50 10 GJCARN Cc1ccc(N2C(=O)C(=Cc3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001509901 209330824 /nfs/dbraw/zinc/33/08/24/209330824.db2.gz LTGSYUIAOVPKSM-UHFFFAOYSA-N 0 0 396.446 4.887 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC1CCCC1 ZINC000001016026 209289332 /nfs/dbraw/zinc/28/93/32/209289332.db2.gz HPPBVYNISXDUTF-ATVHPVEESA-N 0 0 377.531 4.628 50 10 GJCARN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000000980803 209284273 /nfs/dbraw/zinc/28/42/73/209284273.db2.gz IVTDXYBOMALTDL-HYARGMPZSA-N 0 0 399.494 4.804 50 10 GJCARN O=C(CCc1ccccc1)N[C@H](c1cccs1)c1ccc2cccnc2c1O ZINC000000801028 209267135 /nfs/dbraw/zinc/26/71/35/209267135.db2.gz WFKOFHFTIBUSFS-QFIPXVFZSA-N 0 0 388.492 4.840 50 10 GJCARN COc1ccc2c3ccc(OCc4ccccc4OC)c(C)c3oc(=O)c2c1 ZINC000001155955 209226501 /nfs/dbraw/zinc/22/65/01/209226501.db2.gz VJIRYFDDXYWMAC-UHFFFAOYSA-N 0 0 376.408 4.851 50 10 biogenic GJCARN CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000869282 203860479 /nfs/dbraw/zinc/86/04/79/203860479.db2.gz LINXHMFDDAUTFG-KRWDZBQOSA-N 0 0 375.255 4.863 50 10 GJCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Nc1ccccc1 ZINC000002282869 203934721 /nfs/dbraw/zinc/93/47/21/203934721.db2.gz AMEOZEMBGPGLDY-UVTDQMKNSA-N 0 0 391.315 4.677 50 10 GJCARN O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 ZINC000004045277 204025740 /nfs/dbraw/zinc/02/57/40/204025740.db2.gz PPHLXSUAQQATPK-ZAWLATJESA-N 0 0 385.463 4.764 50 10 GJCARN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(O)c1 ZINC000004471491 204046137 /nfs/dbraw/zinc/04/61/37/204046137.db2.gz JKSVPXLKETYPRQ-RIYZIHGNSA-N 0 0 392.299 4.561 50 10 GJCARN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(F)c1 ZINC000004499010 204048377 /nfs/dbraw/zinc/04/83/77/204048377.db2.gz NDPZVLIQRGAIPV-RIYZIHGNSA-N 0 0 394.290 4.994 50 10 GJCARN CN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S ZINC000005170512 204116752 /nfs/dbraw/zinc/11/67/52/204116752.db2.gz OHUXYKJTCWGFQI-MDWZMJQESA-N 0 0 380.288 4.540 50 10 GJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S ZINC000005504884 204136556 /nfs/dbraw/zinc/13/65/56/204136556.db2.gz FGEPKZAIDKJYQO-ONDHQXCVSA-N 0 0 379.506 4.968 50 10 GJCARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 ZINC000006781030 204204264 /nfs/dbraw/zinc/20/42/64/204204264.db2.gz JNIMOYGEZFQNAM-UHFFFAOYSA-N 0 0 390.483 4.931 50 10 GJCARN COc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1Cl ZINC000006781043 204204600 /nfs/dbraw/zinc/20/46/00/204204600.db2.gz KVRYYLTUNXOAIF-UHFFFAOYSA-N 0 0 396.874 4.886 50 10 GJCARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000006781031 204204982 /nfs/dbraw/zinc/20/49/82/204204982.db2.gz WRPCKRRTSFGGOQ-UHFFFAOYSA-N 0 0 390.483 4.931 50 10 GJCARN COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000006179986 204170504 /nfs/dbraw/zinc/17/05/04/204170504.db2.gz PMASITAHIREIJM-GLJUWKHASA-N 0 0 384.819 4.861 50 10 GJCARN Cc1noc(C)c1CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000010911795 204340794 /nfs/dbraw/zinc/34/07/94/204340794.db2.gz OYLFCMVOGRERFI-XMMPIXPASA-N 0 0 386.451 4.599 50 10 GJCARN Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)cc1 ZINC000020070818 204700281 /nfs/dbraw/zinc/70/02/81/204700281.db2.gz PIIYMPNFHFANSR-DENIHFKCSA-N 0 0 392.842 4.994 50 10 GJCARN CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC ZINC000033924260 211947818 /nfs/dbraw/zinc/94/78/18/211947818.db2.gz OBNZTNBYQNXPJC-PDGQHHTCSA-N 0 0 384.863 4.944 50 10 GJCARN Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccccc1 ZINC000032766761 204918445 /nfs/dbraw/zinc/91/84/45/204918445.db2.gz HOCVMRRXTYNMCO-OAHLLOKOSA-N 0 0 382.847 4.571 50 10 GJCARN CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000071326573 205281682 /nfs/dbraw/zinc/28/16/82/205281682.db2.gz VNINSXXEUYWFMZ-UHFFFAOYSA-N 0 0 394.544 4.754 50 10 GJCARN COc1ccc([C@H]2N=C(c3ccc(F)cc3)C[C@H](c3ccccc3O)N2)cc1 ZINC000080325048 205384141 /nfs/dbraw/zinc/38/41/41/205384141.db2.gz ZEDFSBQGAYMBFW-GGAORHGYSA-N 0 0 376.431 4.762 50 10 GJCARN COc1ccc([C@H]2N=C(c3ccc(F)cc3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000080325037 205384452 /nfs/dbraw/zinc/38/44/52/205384452.db2.gz ZEDFSBQGAYMBFW-GMAHTHKFSA-N 0 0 376.431 4.762 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000020037250 210313271 /nfs/dbraw/zinc/31/32/71/210313271.db2.gz WEODMJKWHCUBEG-QBILMKHKSA-N 0 0 382.876 4.524 50 10 GJCARN O=c1c2ccc([O-])c(C[NH+]3CCCC3)c2oc(C(F)(F)F)c1-c1ccccc1 ZINC000019791536 570219327 /nfs/dbraw/zinc/21/93/27/570219327.db2.gz JZDIJVJTSVUKFO-UHFFFAOYSA-N 0 0 389.373 4.780 50 10 biogenic GJCARN COc1ccc(-n2cnc3cc(NCc4ccc(OC)c(OC)c4)ccc32)cc1 ZINC000001250392 570259670 /nfs/dbraw/zinc/25/96/70/570259670.db2.gz FLPMDKMKNCSOHN-UHFFFAOYSA-N 0 0 389.455 4.663 50 10 GJCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000002272983 570281025 /nfs/dbraw/zinc/28/10/25/570281025.db2.gz DFKLDOUCNHGNIF-ZROIWOOFSA-N 0 0 376.846 4.654 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCCC(C)C ZINC000022258498 570311572 /nfs/dbraw/zinc/31/15/72/570311572.db2.gz VXDWUUMGKHTBKZ-BOPFTXTBSA-N 0 0 379.547 4.730 50 10 GJCARN O=C1N=C(c2ccccc2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000003212330 570332715 /nfs/dbraw/zinc/33/27/15/570332715.db2.gz ZUMQZPPGEDRZLC-PDGQHHTCSA-N 0 0 376.393 4.916 50 10 GJCARN CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000801072 570341773 /nfs/dbraw/zinc/34/17/73/570341773.db2.gz LHHBXTYLAYAKHI-HXUWFJFHSA-N 0 0 397.906 4.666 50 10 GJCARN CCCCC(=O)N[C@@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O ZINC000004959832 570382071 /nfs/dbraw/zinc/38/20/71/570382071.db2.gz BUMPAWLVAKLTNJ-FQEVSTJZSA-N 0 0 398.890 4.998 50 10 GJCARN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Cl)c1OC(C)=O ZINC000004738849 570400251 /nfs/dbraw/zinc/40/02/51/570400251.db2.gz KRJQWUOXYMTSPK-LZYBPNLTSA-N 0 0 384.815 4.564 50 10 GJCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc([N+](=O)[O-])c3)c(O)c2n1 ZINC000004755286 570403240 /nfs/dbraw/zinc/40/32/40/570403240.db2.gz HXCJXMCLDZTEQI-HXUWFJFHSA-N 0 0 386.411 4.754 50 10 GJCARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000005055090 570427041 /nfs/dbraw/zinc/42/70/41/570427041.db2.gz YRMCLHXPGZTCAA-GDNBJRDFSA-N 0 0 389.885 4.532 50 10 GJCARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)OCc1ccccc1 ZINC000000941174 570452513 /nfs/dbraw/zinc/45/25/13/570452513.db2.gz YARKCZSWXYZKPJ-UHFFFAOYSA-N 0 0 386.403 4.582 50 10 biogenic GJCARN CN(C)c1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000003140704 570539401 /nfs/dbraw/zinc/53/94/01/570539401.db2.gz OVXACAHEJLBCRE-UHFFFAOYSA-N 0 0 397.474 4.634 50 10 GJCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1c(C)cccc1C ZINC000004596798 570628115 /nfs/dbraw/zinc/62/81/15/570628115.db2.gz GPBHVXNSWMEHBA-GZTJUZNOSA-N 0 0 384.277 4.784 50 10 GJCARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000239433771 570683615 /nfs/dbraw/zinc/68/36/15/570683615.db2.gz YKVWVXBPVGBHDJ-NOZRDPDXSA-N 0 0 399.494 5.004 50 10 GJCARN COc1ccc(N[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 ZINC000033045907 570697104 /nfs/dbraw/zinc/69/71/04/570697104.db2.gz SKQXOLPOYYABIN-INIZCTEOSA-N 0 0 378.472 4.795 50 10 GJCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001010974 570746323 /nfs/dbraw/zinc/74/63/23/570746323.db2.gz VNZGWTGOQNLOIB-CPNJWEJPSA-N 0 0 384.476 4.908 50 10 GJCARN C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000001182271 570791792 /nfs/dbraw/zinc/79/17/92/570791792.db2.gz LKLNVJSWQQXHKA-AUQXIXNCSA-N 0 0 393.533 4.838 50 10 GJCARN Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000101114510 570814568 /nfs/dbraw/zinc/81/45/68/570814568.db2.gz DNIQNKNDBXKBKI-LDADJPATSA-N 0 0 389.484 4.540 50 10 GJCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(N)s2)c(C)n1-c1ccc(Cl)cc1 ZINC000003343830 570859687 /nfs/dbraw/zinc/85/96/87/570859687.db2.gz KMAIPRILWBNXJI-NSHDSACASA-N 0 0 392.937 4.545 50 10 GJCARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c1O ZINC000170615252 570873927 /nfs/dbraw/zinc/87/39/27/570873927.db2.gz HNHMAIZEQRAYLJ-AWEZNQCLSA-N 0 0 384.482 4.515 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000016948754 570935592 /nfs/dbraw/zinc/93/55/92/570935592.db2.gz BTDFCRAVQFRMSI-STZFKDTASA-N 0 0 375.468 4.879 50 10 GJCARN O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc(Br)cc1 ZINC000001416318 570991994 /nfs/dbraw/zinc/99/19/94/570991994.db2.gz WGOLRMPDMGBKMM-GXDHUFHOSA-N 0 0 376.300 4.855 50 10 GJCARN Cc1nn(-c2ccccc2)c(Cl)c1CN=NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000252608363 571007986 /nfs/dbraw/zinc/00/79/86/571007986.db2.gz HJWLIBVMVQAYIW-UHFFFAOYSA-N 0 0 383.795 4.535 50 10 GJCARN O=C1NC(=S)S/C1=C\c1ccc(-c2ccccc2Br)s1 ZINC000012778775 571031793 /nfs/dbraw/zinc/03/17/93/571031793.db2.gz YAZSHXFEBSXXMU-GHXNOFRVSA-N 0 0 382.329 4.666 50 10 GJCARN COc1cccc(-c2ccc(O)c(CN3CCc4c5ccccc5[nH]c4C3)c2)n1 ZINC000014886642 210129405 /nfs/dbraw/zinc/12/94/05/210129405.db2.gz MVIOIZMUOYOCEM-UHFFFAOYSA-N 0 0 385.467 4.502 50 10 GJCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000014011288 210098842 /nfs/dbraw/zinc/09/88/42/210098842.db2.gz ZYMOKNLVUCEJSA-NSIKDUERSA-N 0 0 383.325 4.890 50 10 GJCARN COc1cccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c1OC ZINC000013713583 210083228 /nfs/dbraw/zinc/08/32/28/210083228.db2.gz NFYKRFGJZFTJGK-GDNBJRDFSA-N 0 0 391.901 4.763 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(CNc3cc(C)ccc3C)C2=O)cc1 ZINC000013548786 210066439 /nfs/dbraw/zinc/06/64/39/210066439.db2.gz UAHSRSLCVCDYGM-WOJGMQOQSA-N 0 0 384.526 4.583 50 10 GJCARN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccccc1 ZINC000001514144 209332394 /nfs/dbraw/zinc/33/23/94/209332394.db2.gz LAPVWKFVFJODCR-GXDHUFHOSA-N 0 0 376.300 4.855 50 10 GJCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(N(C)C)cc3)c(O)c2n1 ZINC000001168763 209310684 /nfs/dbraw/zinc/31/06/84/209310684.db2.gz RESWIUWBKBPTTM-JOCHJYFZSA-N 0 0 384.483 4.911 50 10 GJCARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 ZINC000001107729 209301678 /nfs/dbraw/zinc/30/16/78/209301678.db2.gz REXRXDSGTFAYMO-ZSOIEALJSA-N 0 0 376.846 4.654 50 10 GJCARN COc1ccccc1-n1cnc2cc(NCc3cccc(OC)c3OC)ccc21 ZINC000001097765 209299878 /nfs/dbraw/zinc/29/98/78/209299878.db2.gz GMKAVLSLSWZDGK-UHFFFAOYSA-N 0 0 389.455 4.663 50 10 GJCARN O=C(N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc21)c1ccccc1 ZINC000000855827 209273638 /nfs/dbraw/zinc/27/36/38/209273638.db2.gz BGGZYWOTOAUQIO-QHCPKHFHSA-N 0 0 398.418 4.973 50 10 GJCARN COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccccc2OC)cc1 ZINC000000847793 209271469 /nfs/dbraw/zinc/27/14/69/209271469.db2.gz XCPZYCWQFHSPJC-UHFFFAOYSA-N 0 0 390.483 4.738 50 10 GJCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(O)cc3)C2=O)cc1 ZINC000001470481 203912086 /nfs/dbraw/zinc/91/20/86/203912086.db2.gz UPKVRAHSAOAPLE-QGOAFFKASA-N 0 0 384.526 4.644 50 10 GJCARN O=C1C(=Cc2c[nH]nc2-c2ccccc2)SC(=S)N1CCc1ccccc1 ZINC000002195437 203930388 /nfs/dbraw/zinc/93/03/88/203930388.db2.gz ZKTXXFQIOGMVTN-AQTBWJFISA-N 0 0 391.521 4.521 50 10 GJCARN CC(=O)CCc1ccc(OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000003350519 204000247 /nfs/dbraw/zinc/00/02/47/204000247.db2.gz FJAIBUSQVGUKGZ-UHFFFAOYSA-N 0 0 375.468 4.877 50 10 GJCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)ccc(Br)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004165735 204030550 /nfs/dbraw/zinc/03/05/50/204030550.db2.gz CMUIDCHCXUFPLC-DCGLDWPTSA-N 0 0 387.233 4.889 50 10 GJCARN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000004172134 204030868 /nfs/dbraw/zinc/03/08/68/204030868.db2.gz IKLGKAYKRLAFHQ-XFQAVAEZSA-N 0 0 394.427 4.607 50 10 GJCARN COc1cccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1OC ZINC000004749380 204073070 /nfs/dbraw/zinc/07/30/70/204073070.db2.gz TYYGRMCADNQSMN-IGWPVBGESA-N 0 0 385.510 4.666 50 10 GJCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1cccc(F)c1 ZINC000005172448 204116604 /nfs/dbraw/zinc/11/66/04/204116604.db2.gz PQBMYDOECUQWRY-ZSOIEALJSA-N 0 0 394.290 4.994 50 10 GJCARN COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2c2ccc(C)cc2)c1 ZINC000005196308 204118415 /nfs/dbraw/zinc/11/84/15/204118415.db2.gz YJPPXEVJRLELFW-JWGURIENSA-N 0 0 398.462 4.847 50 10 GJCARN Cn1cc(C(c2cn(C)c3ccccc23)c2ccc(O)c(O)c2O)c2ccccc21 ZINC000004978733 204098298 /nfs/dbraw/zinc/09/82/98/204098298.db2.gz RLFIKCNKNUIQIE-UHFFFAOYSA-N 0 0 398.462 4.967 50 10 GJCARN COc1ccc(C=C2SC(=S)N(N=c3[nH]c4ccccc4s3)C2=O)cc1 ZINC000005720388 204148623 /nfs/dbraw/zinc/14/86/23/204148623.db2.gz XIGIBQTXHKWYEB-GDNBJRDFSA-N 0 0 399.522 4.533 50 10 GJCARN O=C1C=CC(=NNc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21 ZINC000005739708 204150501 /nfs/dbraw/zinc/15/05/01/204150501.db2.gz NLEBUIWARLVMDY-QURGRASLSA-N 0 0 381.457 4.745 50 10 GJCARN COc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1Cl ZINC000005516091 204137158 /nfs/dbraw/zinc/13/71/58/204137158.db2.gz TWQKTDGRSZGOIU-UHFFFAOYSA-N 0 0 397.858 4.609 50 10 GJCARN COc1cccc2c1O[C@@H](c1cccc(C)c1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000006721726 204194419 /nfs/dbraw/zinc/19/44/19/204194419.db2.gz LCXVLUCQOIHBRG-RDPSFJRHSA-N 0 0 386.451 4.952 50 10 GJCARN COc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053362966 205137322 /nfs/dbraw/zinc/13/73/22/205137322.db2.gz XBGZCNYTTMYKJR-FYYLOGMGSA-N 0 0 376.431 4.762 50 10 GJCARN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1OCC ZINC000033286006 206096919 /nfs/dbraw/zinc/09/69/19/206096919.db2.gz KRVUNWRAOHRMRN-MOSHPQCFSA-N 0 0 378.472 4.907 50 10 GJCARN COc1ccc2[nH]cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2c1 ZINC000097513732 206124945 /nfs/dbraw/zinc/12/49/45/206124945.db2.gz HDUPBIHCPCDDQT-GIJQJNRQSA-N 0 0 380.494 4.578 50 10 GJCARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)sc2c1 ZINC000100552397 211604263 /nfs/dbraw/zinc/60/42/63/211604263.db2.gz ARKJSAMSHBMGRO-GDNBJRDFSA-N 0 0 398.875 4.677 50 10 GJCARN Cn1ncc2c1ncnc2Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000004338814 211544025 /nfs/dbraw/zinc/54/40/25/211544025.db2.gz HNPGACQMZSSQIP-UHFFFAOYSA-N 0 0 398.253 4.645 50 10 GJCARN CCN1c2ccccc2S/C1=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000100202124 211384469 /nfs/dbraw/zinc/38/44/69/211384469.db2.gz JVGUCWVBYQHGLL-ZPHPHTNESA-N 0 0 398.578 4.891 50 10 GJCARN CCOC(=O)c1cc(CC)sc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000100209356 211383548 /nfs/dbraw/zinc/38/35/48/211383548.db2.gz VAUDIEHNDDTBHO-PDGQHHTCSA-N 0 0 397.500 4.514 50 10 GJCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000019791511 210295639 /nfs/dbraw/zinc/29/56/39/210295639.db2.gz YKOKWJNZHIUVPU-UHFFFAOYSA-N 0 0 397.780 4.899 50 10 GJCARN COc1cc(/C=C2/C=C(c3cccc4ccccc43)OC2=O)cc(OC)c1OC ZINC000019894544 570228473 /nfs/dbraw/zinc/22/84/73/570228473.db2.gz ONCUTYCCAJRVLX-BOPFTXTBSA-N 0 0 388.419 4.847 50 10 GJCARN COc1cc2c(cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1)oc1ccccc12 ZINC000011619275 570237868 /nfs/dbraw/zinc/23/78/68/570237868.db2.gz QRFDDEFNIIFFPU-UHFFFAOYSA-N 0 0 391.383 4.553 50 10 GJCARN CCc1cccc(C)c1N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000001136018 570247034 /nfs/dbraw/zinc/24/70/34/570247034.db2.gz SKRPTOCQIKHQDH-WJDWOHSUSA-N 0 0 384.482 4.871 50 10 GJCARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCCC1 ZINC000001147506 570248737 /nfs/dbraw/zinc/24/87/37/570248737.db2.gz CREAGJJJZVLPHZ-BOPFTXTBSA-N 0 0 375.515 4.587 50 10 GJCARN Cc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000001156219 570250220 /nfs/dbraw/zinc/25/02/20/570250220.db2.gz NAOYJGDVIZLJLJ-NTEUORMPSA-N 0 0 380.416 4.815 50 10 GJCARN C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000001182274 570255487 /nfs/dbraw/zinc/25/54/87/570255487.db2.gz LKLNVJSWQQXHKA-KWPCUBQOSA-N 0 0 393.533 4.838 50 10 GJCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001188725 570256951 /nfs/dbraw/zinc/25/69/51/570256951.db2.gz TVVGIGBBMVVMSQ-RGEXLXHISA-N 0 0 398.553 4.947 50 10 GJCARN O=C1NC(=S)S/C1=C\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000001216278 570258855 /nfs/dbraw/zinc/25/88/55/570258855.db2.gz MKEPCBKAUSRHCQ-UNOMPAQXSA-N 0 0 377.490 4.908 50 10 GJCARN O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccccc1Br ZINC000001227335 570259319 /nfs/dbraw/zinc/25/93/19/570259319.db2.gz UAZJWUXGEMKWPG-GXDHUFHOSA-N 0 0 376.300 4.855 50 10 GJCARN CC[C@H](C)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000001480071 570264077 /nfs/dbraw/zinc/26/40/77/570264077.db2.gz XSIKBOMHNMQCFX-OKHBPPCESA-N 0 0 388.470 4.855 50 10 GJCARN COc1cccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3ccccc3O)C2)c1 ZINC000053363370 570312711 /nfs/dbraw/zinc/31/27/11/570312711.db2.gz OXDFTLCPJVXGBN-JTHBVZDNSA-N 0 0 376.431 4.762 50 10 GJCARN CCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000801085 570341433 /nfs/dbraw/zinc/34/14/33/570341433.db2.gz RVDHGGKEOWVTGO-LJQANCHMSA-N 0 0 384.863 4.608 50 10 GJCARN C[N@H+](Cc1ccccc1)Cc1cc(Br)cc(Br)c1[O-] ZINC000023281984 570353615 /nfs/dbraw/zinc/35/36/15/570353615.db2.gz ANCCKQJNAMPMHL-UHFFFAOYSA-N 0 0 385.099 4.549 50 10 GJCARN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O ZINC000023382737 570359887 /nfs/dbraw/zinc/35/98/87/570359887.db2.gz CFQCMRFJFGXQGE-MOSHPQCFSA-N 0 0 396.487 4.971 50 10 GJCARN Cc1ccccc1Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 ZINC000005102416 570429468 /nfs/dbraw/zinc/42/94/68/570429468.db2.gz RMQUMKQHBJQGHU-ODLFYWEKSA-N 0 0 378.522 4.829 50 10 GJCARN CC(C)Oc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 ZINC000028287563 570454589 /nfs/dbraw/zinc/45/45/89/570454589.db2.gz GFMOTGFNRPFNHU-UHFFFAOYSA-N 0 0 389.499 4.782 50 10 GJCARN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1 ZINC000004591781 570621716 /nfs/dbraw/zinc/62/17/16/570621716.db2.gz HKRXMEQTNYDVIH-LZYBPNLTSA-N 0 0 391.901 4.763 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000012413431 570656360 /nfs/dbraw/zinc/65/63/60/570656360.db2.gz WUYIGLKNHCIPNQ-UYRXBGFRSA-N 0 0 397.858 4.616 50 10 GJCARN CCOc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)cc1 ZINC000006877909 570669311 /nfs/dbraw/zinc/66/93/11/570669311.db2.gz CWSSYZJKMUAAFJ-UHFFFAOYSA-N 0 0 388.511 4.993 50 10 GJCARN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000004616918 570674369 /nfs/dbraw/zinc/67/43/69/570674369.db2.gz RHYHHKVCAIAUHO-QJOMJCCJSA-N 0 0 398.462 4.928 50 10 GJCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc(C)n2C2CC2)c(C)n1-c1ccccc1 ZINC000006993367 570732192 /nfs/dbraw/zinc/73/21/92/570732192.db2.gz ZNONNJPTONPFHP-OAHLLOKOSA-N 0 0 380.517 4.692 50 10 GJCARN CSc1c(C(=O)Nc2cccc(C)c2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004452087 570784138 /nfs/dbraw/zinc/78/41/38/570784138.db2.gz VAJLACHAZIWAEF-UHFFFAOYSA-N 0 0 387.460 4.745 50 10 GJCARN Cc1ccccc1COc1ccc(Cl)cc1C=C1SC(=S)NC1=O ZINC000013895436 570799590 /nfs/dbraw/zinc/79/95/90/570799590.db2.gz GPSHLSVDVYQVHJ-SXGWCWSVSA-N 0 0 375.902 4.716 50 10 GJCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000101129615 570815763 /nfs/dbraw/zinc/81/57/63/570815763.db2.gz RMISNBCFZBRGEM-NTEUORMPSA-N 0 0 386.839 4.807 50 10 GJCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(F)cc1 ZINC000007423329 570840886 /nfs/dbraw/zinc/84/08/86/570840886.db2.gz LXBBNTNWNZDEAW-UHFFFAOYSA-N 0 0 375.856 4.610 50 10 GJCARN COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 ZINC000044085888 570862728 /nfs/dbraw/zinc/86/27/28/570862728.db2.gz KCWLNGSUSYRGCA-UHFFFAOYSA-N 0 0 395.528 4.544 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c1 ZINC000015011170 570871312 /nfs/dbraw/zinc/87/13/12/570871312.db2.gz JTFBILNCVBAOHC-RGEXLXHISA-N 0 0 399.537 4.538 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccncc1 ZINC000102907340 570871497 /nfs/dbraw/zinc/87/14/97/570871497.db2.gz IYHBKSIFFHRMLY-GHTZIAJQSA-N 0 0 377.831 4.683 50 10 GJCARN COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O ZINC000015016434 570871726 /nfs/dbraw/zinc/87/17/26/570871726.db2.gz FCTHDIWMHUZDNV-NRFANRHFSA-N 0 0 387.439 4.560 50 10 GJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3c(c2)C[C@H](C)O3)SC1=S ZINC000016810377 570911012 /nfs/dbraw/zinc/91/10/12/570911012.db2.gz WHJXWLVCNUSNND-QRLNYVLISA-N 0 0 381.522 4.972 50 10 GJCARN CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000016677519 570930281 /nfs/dbraw/zinc/93/02/81/570930281.db2.gz KDXHWSLKLCPGTK-AQTBWJFISA-N 0 0 385.510 4.890 50 10 GJCARN O=C1N=C(Nc2cccc(Br)c2)SC1=CC=Cc1ccco1 ZINC000016669657 210193031 /nfs/dbraw/zinc/19/30/31/210193031.db2.gz IDQRWAWTJJMWBU-BOAPOFAJSA-N 0 0 375.247 4.681 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000014010511 210100297 /nfs/dbraw/zinc/10/02/97/210100297.db2.gz YSUGLQBZSVHDHX-AQTBWJFISA-N 0 0 397.858 4.616 50 10 GJCARN Cc1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C ZINC000013073225 210049899 /nfs/dbraw/zinc/04/98/99/210049899.db2.gz ZGMROYMMGUHOCX-INIZCTEOSA-N 0 0 398.462 4.518 50 10 GJCARN COc1cccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1 ZINC000011619188 209877012 /nfs/dbraw/zinc/87/70/12/209877012.db2.gz JUMPFJLCMLIXCF-UHFFFAOYSA-N 0 0 376.412 4.654 50 10 GJCARN CCOc1ccccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000002406735 209361727 /nfs/dbraw/zinc/36/17/27/209361727.db2.gz ZGSSSDQLELIVEV-UNOMPAQXSA-N 0 0 394.521 4.983 50 10 GJCARN CCOc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)NC3=O)cc2c1 ZINC000001250342 209317404 /nfs/dbraw/zinc/31/74/04/209317404.db2.gz MADPIPDDXCQWLI-ATVHPVEESA-N 0 0 399.541 4.524 50 10 GJCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC ZINC000001258105 209317431 /nfs/dbraw/zinc/31/74/31/209317431.db2.gz RZQKBMNNPAKHKD-LDADJPATSA-N 0 0 385.510 4.808 50 10 GJCARN CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1/SC(=S)N(C)C1=O ZINC000001317727 209318992 /nfs/dbraw/zinc/31/89/92/209318992.db2.gz HCPCQDJNMAIKJV-VGJYFWKZSA-N 0 0 392.571 4.623 50 10 GJCARN O=Cc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000001506076 209330430 /nfs/dbraw/zinc/33/04/30/209330430.db2.gz WWOZGHBROPHQPO-NVNXTCNLSA-N 0 0 393.411 4.924 50 10 GJCARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000001480069 209330473 /nfs/dbraw/zinc/33/04/73/209330473.db2.gz XSIKBOMHNMQCFX-FFCYNSPCSA-N 0 0 388.470 4.855 50 10 GJCARN Cc1ccnc(N[C@H](c2ccc3cccnc3c2O)c2ccccc2[N+](=O)[O-])c1 ZINC000001171698 209309958 /nfs/dbraw/zinc/30/99/58/209309958.db2.gz LQKHZFASLJFUJQ-NRFANRHFSA-N 0 0 386.411 4.754 50 10 GJCARN CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000001023076 209289893 /nfs/dbraw/zinc/28/98/93/209289893.db2.gz VUJURDFWSXSPMK-CXUHLZMHSA-N 0 0 388.901 4.704 50 10 GJCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000000924734 209279150 /nfs/dbraw/zinc/27/91/50/209279150.db2.gz IWOVRPULITWYBF-UHFFFAOYSA-N 0 0 391.418 4.837 50 10 GJCARN Cc1cc([C@H]2CCCN2C(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)no1 ZINC000096248641 209240666 /nfs/dbraw/zinc/24/06/66/209240666.db2.gz PASIFYFMSCBOFG-SSSWZJSRSA-N 0 0 375.472 4.767 50 10 GJCARN COc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000002112548 203927123 /nfs/dbraw/zinc/92/71/23/203927123.db2.gz CEWVVOTZXUEIQM-UHFFFAOYSA-N 0 0 385.419 4.825 50 10 biogenic GJCARN COc1ccccc1NCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000003112328 203986120 /nfs/dbraw/zinc/98/61/20/203986120.db2.gz REFQPXOPMPJKQL-YBEGLDIGSA-N 0 0 390.917 4.619 50 10 GJCARN Cc1ccc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)c(Cl)c1 ZINC000003451044 204007912 /nfs/dbraw/zinc/00/79/12/204007912.db2.gz MLFGEVKGEZTNTG-UHFFFAOYSA-N 0 0 377.827 4.966 50 10 GJCARN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 ZINC000003646590 204017383 /nfs/dbraw/zinc/01/73/83/204017383.db2.gz KLSFETDKCPYEJH-JPOGYNCRSA-N 0 0 399.494 4.535 50 10 GJCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3[N+](=O)[O-])c(O)c2n1 ZINC000004151015 204028764 /nfs/dbraw/zinc/02/87/64/204028764.db2.gz NGFANJMUYJCQEL-OAQYLSRUSA-N 0 0 386.411 4.754 50 10 GJCARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(I)o1 ZINC000004739031 204071194 /nfs/dbraw/zinc/07/11/94/204071194.db2.gz ZYUCXGPJTNEBTA-JXMROGBWSA-N 0 0 398.583 4.519 50 10 GJCARN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004881508 204085861 /nfs/dbraw/zinc/08/58/61/204085861.db2.gz FAYALEOOHOCRDV-KNKQGSTJSA-N 0 0 391.471 4.903 50 10 GJCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cc(C)ccc1C ZINC000004596796 204056512 /nfs/dbraw/zinc/05/65/12/204056512.db2.gz OMLNVJTYSFDAMZ-GZTJUZNOSA-N 0 0 384.277 4.784 50 10 GJCARN COc1ccccc1N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S ZINC000006007462 204161522 /nfs/dbraw/zinc/16/15/22/204161522.db2.gz LTMQQUCAQXDBHG-OQLLNIDSSA-N 0 0 379.865 4.894 50 10 GJCARN Cc1cc(C(=O)[C@@H](C)OC(=O)c2cccc(O)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000006120043 204166194 /nfs/dbraw/zinc/16/61/94/204166194.db2.gz JEHOAGUQLAZHBR-OAHLLOKOSA-N 0 0 397.858 4.881 50 10 GJCARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccccc1Br ZINC000005442711 204131462 /nfs/dbraw/zinc/13/14/62/204131462.db2.gz JTFJFNKOFYFORO-RVDMUPIBSA-N 0 0 384.277 4.784 50 10 GJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccccc1Br ZINC000005518597 204137827 /nfs/dbraw/zinc/13/78/27/204137827.db2.gz FKPSYRUYZUUUNZ-LFIBNONCSA-N 0 0 384.277 4.784 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 ZINC000006721821 204194044 /nfs/dbraw/zinc/19/40/44/204194044.db2.gz RNRZFDZDRFZNMO-GHTZIAJQSA-N 0 0 378.453 4.705 50 10 GJCARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3cc(C)ccc3OC)c2C)cc1 ZINC000009228664 204302878 /nfs/dbraw/zinc/30/28/78/204302878.db2.gz JATLNCXVJWNCEF-UHFFFAOYSA-N 0 0 393.487 4.741 50 10 GJCARN O=C1C(=Cc2ccccc2F)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000009914711 204327433 /nfs/dbraw/zinc/32/74/33/204327433.db2.gz KKMDVZMHFMRZGZ-ZROIWOOFSA-N 0 0 387.486 4.664 50 10 GJCARN C[C@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 ZINC000011915287 204361334 /nfs/dbraw/zinc/36/13/34/204361334.db2.gz VKPKSQGVWPHTQO-DJPAPCOJSA-N 0 0 399.493 4.533 50 10 GJCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000013775125 204512925 /nfs/dbraw/zinc/51/29/25/204512925.db2.gz YWSSMSCCTHQXCJ-PDGQHHTCSA-N 0 0 391.521 4.679 50 10 GJCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3cccc4ccccc34)C2=N)S1 ZINC000033888830 204967335 /nfs/dbraw/zinc/96/73/35/204967335.db2.gz ORBRILLNAZNWSM-ACUDIFQKSA-N 0 0 376.485 4.895 50 10 GJCARN COc1cc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)ccc1O ZINC000328597673 209145346 /nfs/dbraw/zinc/14/53/46/209145346.db2.gz IOOZGZQJFDSDLL-CQSZACIVSA-N 0 0 384.482 4.515 50 10 GJCARN COc1cccc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)nc21 ZINC000054360786 205139916 /nfs/dbraw/zinc/13/99/16/205139916.db2.gz ZZGXIANCAAWGMD-PDGQHHTCSA-N 0 0 392.505 4.645 50 10 GJCARN CCN1c2ccccc2O/C1=C/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000100707120 211388069 /nfs/dbraw/zinc/38/80/69/211388069.db2.gz KHCYVJJRVIYFQI-PWDIZTEBSA-N 0 0 380.494 4.696 50 10 GJCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\C=C/c1ccc([N+](=O)[O-])cc1 ZINC000100302707 211386640 /nfs/dbraw/zinc/38/66/40/211386640.db2.gz ZVLRRPQGJPIJSP-HFQAVTMXSA-N 0 0 375.428 4.983 50 10 GJCARN COC(=O)c1ccoc1CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000023355427 210442636 /nfs/dbraw/zinc/44/26/36/210442636.db2.gz KDQIZYIZZDNRPW-UHFFFAOYSA-N 0 0 394.452 4.863 50 10 GJCARN Cc1ccc(C)c(Nc2cc(NCCO)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000020322442 210326221 /nfs/dbraw/zinc/32/62/21/210326221.db2.gz QADGTSZHPOKXPD-UHFFFAOYSA-N 0 0 399.450 4.804 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000020071233 210314286 /nfs/dbraw/zinc/31/42/86/210314286.db2.gz AYPZKFNVJCAHSN-ZJSXRUAMSA-N 0 0 386.451 4.952 50 10 GJCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019681938 210282299 /nfs/dbraw/zinc/28/22/99/210282299.db2.gz JWHFEESSGPEHHV-UHFFFAOYSA-N 0 0 397.780 4.899 50 10 biogenic GJCARN COc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1OC ZINC000004749382 220761540 /nfs/dbraw/zinc/76/15/40/220761540.db2.gz TYYGRMCADNQSMN-KAECEXQPSA-N 0 0 385.510 4.666 50 10 GJCARN COc1cccc2c1O[C@H](c1ccc(C)o1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000010215857 221098145 /nfs/dbraw/zinc/09/81/45/221098145.db2.gz WGQAQINZRNBPFZ-HTAPYJJXSA-N 0 0 376.412 4.545 50 10 GJCARN Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccc(F)cc4)o3)CC2)c1 ZINC000008843404 136195802 /nfs/dbraw/zinc/19/58/02/136195802.db2.gz LQFVRBQLZPATOM-UHFFFAOYSA-N 0 0 380.488 4.892 50 10 GJCARN FC(F)(F)c1cnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c(Cl)c1 ZINC000022373797 136203949 /nfs/dbraw/zinc/20/39/49/136203949.db2.gz ORFUUXRDZNDLNX-UHFFFAOYSA-N 0 0 378.785 4.924 50 10 GJCARN CN(C)c1ccc(CNC(=O)c2ccc(-c3csc(C4CC4)n3)cc2)cc1 ZINC000064677618 222079310 /nfs/dbraw/zinc/07/93/10/222079310.db2.gz KFWGREWWGROJOY-UHFFFAOYSA-N 0 0 377.513 4.684 50 10 GJCARN CCCc1cc2c(cc1O[C@@H](C)C(=O)OCC)oc(=O)cc2-c1ccccc1 ZINC000000633850 570212485 /nfs/dbraw/zinc/21/24/85/570212485.db2.gz WYQMJFINVLCCND-HNNXBMFYSA-N 0 0 380.440 4.743 50 10 GJCARN CCCc1cc2c(cc1O[C@H](C)C(=O)OCC)oc(=O)cc2-c1ccccc1 ZINC000000633853 570212520 /nfs/dbraw/zinc/21/25/20/570212520.db2.gz WYQMJFINVLCCND-OAHLLOKOSA-N 0 0 380.440 4.743 50 10 GJCARN CC(C)(C)OC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000000639317 570213383 /nfs/dbraw/zinc/21/33/83/570213383.db2.gz ALUDYILHKBLFDL-UHFFFAOYSA-N 0 0 386.831 4.834 50 10 GJCARN O=C1c2nc(Nc3ccc(Cl)cc3Cl)sc2C(=O)c2ccccc21 ZINC000000644144 570213937 /nfs/dbraw/zinc/21/39/37/570213937.db2.gz JASHLKNQHQDYAW-UHFFFAOYSA-N 0 0 375.236 4.969 50 10 GJCARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000000714126 570219732 /nfs/dbraw/zinc/21/97/32/570219732.db2.gz JMDIDHKUZPYSAD-HSZRJFAPSA-N 0 0 387.483 4.922 50 10 GJCARN Cc1cccc(C)c1OCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000022228985 570308165 /nfs/dbraw/zinc/30/81/65/570308165.db2.gz HZFUIRSWHPYSCA-AQTBWJFISA-N 0 0 399.537 4.592 50 10 GJCARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(F)(F)F)C3=O)cc1 ZINC000002944683 570319127 /nfs/dbraw/zinc/31/91/27/570319127.db2.gz AKHMRJRNAPOFIC-UHFFFAOYSA-N 0 0 398.340 4.881 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004852918 570347741 /nfs/dbraw/zinc/34/77/41/570347741.db2.gz YQZKOUOSWQKKJB-FRQCXROJSA-N 0 0 381.388 4.728 50 10 GJCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCC(C)C ZINC000004611345 570387341 /nfs/dbraw/zinc/38/73/41/570387341.db2.gz IKRYVQLLASDSJA-XSFVSMFZSA-N 0 0 378.472 4.926 50 10 GJCARN CC(=O)Oc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)c(OC(C)=O)c1 ZINC000004993974 570391719 /nfs/dbraw/zinc/39/17/19/570391719.db2.gz UEIOBTMSWHXVOH-IUKKYPGJSA-N 0 0 377.440 4.672 50 10 GJCARN COc1ccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 ZINC000004725797 570398587 /nfs/dbraw/zinc/39/85/87/570398587.db2.gz VECPEGLSVITVTK-LICLKQGHSA-N 0 0 397.478 4.631 50 10 GJCARN CN1CCCc2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)ccc21 ZINC000027023057 570431169 /nfs/dbraw/zinc/43/11/69/570431169.db2.gz JFVBSSFZIRSDBI-HKWRFOASSA-N 0 0 394.565 4.513 50 10 GJCARN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)c2C)cc1 ZINC000027881783 570444550 /nfs/dbraw/zinc/44/45/50/570444550.db2.gz TUHXNOHOGKPZDW-RTBURBONSA-N 0 0 394.437 4.954 50 10 GJCARN CNc1ncnc2c1N=C1CC(C)(C)CC(N[C@H](C)Cc3ccccc3)=C1S2 ZINC000033884340 570529820 /nfs/dbraw/zinc/52/98/20/570529820.db2.gz CPIVJFPVWALINO-CQSZACIVSA-N 0 0 393.560 4.949 50 10 GJCARN CCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc21 ZINC000002870203 570535824 /nfs/dbraw/zinc/53/58/24/570535824.db2.gz HELAODKXWJARJK-QHCPKHFHSA-N 0 0 379.456 4.568 50 10 biogenic GJCARN CC1=CC2=NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N2O1 ZINC000032968133 570550070 /nfs/dbraw/zinc/55/00/70/570550070.db2.gz HODYZTUTZLPPGC-FMVWKBIMSA-N 0 0 385.832 4.535 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 ZINC000006721694 570550420 /nfs/dbraw/zinc/55/04/20/570550420.db2.gz LGNGKURHLYJPQX-DENIHFKCSA-N 0 0 391.858 4.991 50 10 GJCARN O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000039358087 570589616 /nfs/dbraw/zinc/58/96/16/570589616.db2.gz KEVOERSWOZWCEO-LJQANCHMSA-N 0 0 376.456 4.503 50 10 GJCARN COCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC[C@@H](C)C3)cc1 ZINC000006782090 570589662 /nfs/dbraw/zinc/58/96/62/570589662.db2.gz RNDMPZQKCUNJBQ-GOSISDBHSA-N 0 0 388.511 4.645 50 10 GJCARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCCC2)cc1-c1nc2ccccc2s1 ZINC000000941142 570731693 /nfs/dbraw/zinc/73/16/93/570731693.db2.gz WAIRTCPWJZEOEL-UHFFFAOYSA-N 0 0 392.480 4.761 50 10 biogenic GJCARN O=C(c1ccc(F)cc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000000972782 570740851 /nfs/dbraw/zinc/74/08/51/570740851.db2.gz IKPGBOBBFCMBIR-ZROIWOOFSA-N 0 0 377.849 4.521 50 10 GJCARN O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1c1cccc(Cl)c1 ZINC000013730853 570783152 /nfs/dbraw/zinc/78/31/52/570783152.db2.gz WIRIAYPRJGVUCY-CXUHLZMHSA-N 0 0 383.885 4.689 50 10 GJCARN CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S ZINC000001209466 570793933 /nfs/dbraw/zinc/79/39/33/570793933.db2.gz XKXHDDBOUNMRKJ-UNOMPAQXSA-N 0 0 378.522 4.911 50 10 GJCARN CCC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@@H]2[C@H]1c1cccc2ccccc21 ZINC000239432923 570830491 /nfs/dbraw/zinc/83/04/91/570830491.db2.gz WXGSZCLVYGKRSJ-FZOAFFARSA-N 0 0 387.910 6.651 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 ZINC000102907330 570870835 /nfs/dbraw/zinc/87/08/35/570870835.db2.gz LGNGKURHLYJPQX-KNQAVFIVSA-N 0 0 391.858 4.991 50 10 GJCARN COc1ccc(Nc2c(-c3ccccn3)nc3ccc(Br)cn32)cc1 ZINC000004733980 570948777 /nfs/dbraw/zinc/94/87/77/570948777.db2.gz NDSCOIMZAFTZOT-UHFFFAOYSA-N 0 0 395.260 4.911 50 10 GJCARN CCOc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OCC ZINC000001421975 570998924 /nfs/dbraw/zinc/99/89/24/570998924.db2.gz JAFNQEZLAPQZKB-UHFFFAOYSA-N 0 0 389.455 4.916 50 10 GJCARN O=C1N=C(NC2CCCCC2)SC1=Cc1csc(-c2ccc(F)cc2)n1 ZINC000084421624 571017798 /nfs/dbraw/zinc/01/77/98/571017798.db2.gz SAZSFEQFKUBEJY-MHWRWJLKSA-N 0 0 387.505 4.842 50 10 GJCARN O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21)N1CCCC1 ZINC000004950942 230838503 /nfs/dbraw/zinc/83/85/03/230838503.db2.gz YVXGPJAHJFSSKT-BBTUJRGHSA-N 0 0 389.455 4.657 50 10 GJCARN CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O ZINC000019287153 210237823 /nfs/dbraw/zinc/23/78/23/210237823.db2.gz VRHRFXALEYSARP-XDJHFCHBSA-N 0 0 389.565 4.649 50 10 GJCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2n1 ZINC000018190332 210215873 /nfs/dbraw/zinc/21/58/73/210215873.db2.gz SLGDNPHLIHHAMH-NRFANRHFSA-N 0 0 385.423 4.574 50 10 GJCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000013602909 210073154 /nfs/dbraw/zinc/07/31/54/210073154.db2.gz WIGOLPLZGNTLSY-ZSOIEALJSA-N 0 0 382.287 4.712 50 10 GJCARN CN(C)c1ccc(CNC(=O)C2=Cc3cc(-c4ccccc4)ccc3OC2)cc1 ZINC000013353200 210058840 /nfs/dbraw/zinc/05/88/40/210058840.db2.gz CYYPAOASASWCPQ-UHFFFAOYSA-N 0 0 384.479 4.512 50 10 GJCARN Cc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C ZINC000013073223 210049957 /nfs/dbraw/zinc/04/99/57/210049957.db2.gz ZGMROYMMGUHOCX-MRXNPFEDSA-N 0 0 398.462 4.518 50 10 GJCARN Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000010962210 209868662 /nfs/dbraw/zinc/86/86/62/209868662.db2.gz NXYPGRGAURLEER-UHFFFAOYSA-N 0 0 389.499 4.913 50 10 GJCARN COC(=O)c1ccc(C)c(NCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)c1 ZINC000005694622 209609553 /nfs/dbraw/zinc/60/95/53/209609553.db2.gz FDWONGZLRHAOAG-UHFFFAOYSA-N 0 0 390.483 4.792 50 10 GJCARN CC(C)Oc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004079548 209463700 /nfs/dbraw/zinc/46/37/00/209463700.db2.gz JLVYLKHXIFLRKD-UHFFFAOYSA-N 0 0 385.419 4.502 50 10 GJCARN Cc1ccc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)c(C)c1 ZINC000002874177 209393938 /nfs/dbraw/zinc/39/39/38/209393938.db2.gz JNQCYBZXOAFMRQ-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CCc1ccc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000002878516 209393842 /nfs/dbraw/zinc/39/38/42/209393842.db2.gz ZHYBVSHZWTYHKA-XMHGGMMESA-N 0 0 399.537 4.586 50 10 GJCARN COCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000002678088 209376415 /nfs/dbraw/zinc/37/64/15/209376415.db2.gz VVNWBIHFSDBGSZ-RGEXLXHISA-N 0 0 399.537 4.503 50 10 GJCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1C[C@H]1CCCO1 ZINC000002247129 209353090 /nfs/dbraw/zinc/35/30/90/209353090.db2.gz PIOBSHZKAIIUIZ-ZJYZBMPFSA-N 0 0 397.521 4.859 50 10 GJCARN CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215916 209320358 /nfs/dbraw/zinc/32/03/58/209320358.db2.gz JRAKMLXXLKDSLP-VGOFRKELSA-N 0 0 376.412 4.626 50 10 GJCARN C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O ZINC000009420002 209279842 /nfs/dbraw/zinc/27/98/42/209279842.db2.gz UTUIWCBPDQJRKZ-HWQJWEFDSA-N 0 0 381.478 4.505 50 10 GJCARN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004073792 209231494 /nfs/dbraw/zinc/23/14/94/209231494.db2.gz KLTRUWFOTALXPO-JOCHJYFZSA-N 0 0 381.435 4.977 50 10 biogenic GJCARN COc1ccc(-c2cc(=O)oc3c(C)c([O-])c(C[N@@H+]4CCC[C@H](C)C4)cc23)cc1 ZINC000002150002 209229178 /nfs/dbraw/zinc/22/91/78/209229178.db2.gz CVHTWKYCYKUURC-HNNXBMFYSA-N 0 0 393.483 4.715 50 10 biogenic GJCARN COc1ccc(-c2cc(=O)oc3c(C)c([O-])c(C[N@@H+]4CCC[C@@H](C)C4)cc23)cc1 ZINC000002149997 209228423 /nfs/dbraw/zinc/22/84/23/209228423.db2.gz CVHTWKYCYKUURC-OAHLLOKOSA-N 0 0 393.483 4.715 50 10 biogenic GJCARN COc1ccccc1/C=C1\SC(=S)N(CNc2ccccc2Cl)C1=O ZINC000033319749 203787621 /nfs/dbraw/zinc/78/76/21/203787621.db2.gz UQCRTWVWYDXOJH-YBEGLDIGSA-N 0 0 390.917 4.619 50 10 GJCARN O=C(c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCOCC1 ZINC000004322665 204038419 /nfs/dbraw/zinc/03/84/19/204038419.db2.gz FCUUUEKXVCVQGJ-UHFFFAOYSA-N 0 0 393.446 4.562 50 10 GJCARN CN(C)c1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 ZINC000004151066 204029011 /nfs/dbraw/zinc/02/90/11/204029011.db2.gz YHALUMYXIPMSON-SAPNQHFASA-N 0 0 382.467 4.876 50 10 GJCARN CSc1c(C(=O)Nc2cccc(F)c2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004694296 204065371 /nfs/dbraw/zinc/06/53/71/204065371.db2.gz JRLHGBMDQQUUNF-UHFFFAOYSA-N 0 0 391.423 4.575 50 10 GJCARN CN(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000004913717 204091189 /nfs/dbraw/zinc/09/11/89/204091189.db2.gz LEVOIKJTRLSWOE-IFXJQAMLSA-N 0 0 383.561 4.819 50 10 GJCARN Cc1ccc(N2NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000006077337 204164405 /nfs/dbraw/zinc/16/44/05/204164405.db2.gz RYWOTDRXBYJISH-HAHDFKILSA-N 0 0 378.431 4.763 50 10 GJCARN Cc1cc(C(=O)[C@H](C)OC(=O)c2cccc(O)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000006120047 204166057 /nfs/dbraw/zinc/16/60/57/204166057.db2.gz JEHOAGUQLAZHBR-HNNXBMFYSA-N 0 0 397.858 4.881 50 10 GJCARN O=C1N=C(Nc2ccccc2C(F)(F)F)SC1=Cc1cccc([N+](=O)[O-])c1 ZINC000005551389 204138810 /nfs/dbraw/zinc/13/88/10/204138810.db2.gz AEHRDAUHHJXYAM-ZROIWOOFSA-N 0 0 393.346 4.696 50 10 GJCARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000006831901 204213614 /nfs/dbraw/zinc/21/36/14/204213614.db2.gz PSUFSMQNONVZDG-UHFFFAOYSA-N 0 0 397.447 4.939 50 10 GJCARN Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000006235897 204171531 /nfs/dbraw/zinc/17/15/31/204171531.db2.gz JDKUTXBHSSUIEU-UHFFFAOYSA-N 0 0 391.345 4.746 50 10 GJCARN Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)cc1 ZINC000006721643 204194162 /nfs/dbraw/zinc/19/41/62/204194162.db2.gz PIIYMPNFHFANSR-UGKGYDQZSA-N 0 0 392.842 4.994 50 10 GJCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000006961308 204227261 /nfs/dbraw/zinc/22/72/61/204227261.db2.gz VXCMACFFTOFAEB-YVLHZVERSA-N 0 0 389.473 4.704 50 10 GJCARN COc1ccc2[nH]cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2c1 ZINC000008990725 204295862 /nfs/dbraw/zinc/29/58/62/204295862.db2.gz ZQUMJUNXLHEIHG-ODLFYWEKSA-N 0 0 394.521 4.620 50 10 GJCARN COc1ccccc1/C=C1\SC(=S)N(CNc2cc(C)ccc2C)C1=O ZINC000334160458 209178188 /nfs/dbraw/zinc/17/81/88/209178188.db2.gz FDIGEAIZGRFSQJ-WQRHYEAKSA-N 0 0 384.526 4.583 50 10 GJCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000015011658 204554359 /nfs/dbraw/zinc/55/43/59/204554359.db2.gz TVVGIGBBMVVMSQ-XMHGGMMESA-N 0 0 398.553 4.947 50 10 GJCARN CCOc1ccc(Br)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 ZINC000015016521 204555462 /nfs/dbraw/zinc/55/54/62/204555462.db2.gz FCUUBODWCYDVKT-ATVHPVEESA-N 0 0 385.261 4.654 50 10 GJCARN COc1cccc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c1 ZINC000020987306 204749436 /nfs/dbraw/zinc/74/94/36/204749436.db2.gz PNVCDYPYWOUKSC-DHDCSXOGSA-N 0 0 378.375 4.796 50 10 GJCARN Cc1ccccc1NC1=NC(=O)C(=Cc2csc(-c3ccccn3)n2)S1 ZINC000040139640 205057159 /nfs/dbraw/zinc/05/71/59/205057159.db2.gz CEYAZXJYYNNPAZ-MHWRWJLKSA-N 0 0 378.482 4.596 50 10 GJCARN CC(C)c1noc(CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1 ZINC000048375220 205123199 /nfs/dbraw/zinc/12/31/99/205123199.db2.gz RISOOEQQJXDEJY-UHFFFAOYSA-N 0 0 380.473 4.990 50 10 GJCARN O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1c1cccc(O)c1 ZINC000051330878 205133002 /nfs/dbraw/zinc/13/30/02/205133002.db2.gz OGDLUPWHQZTHIC-SXGWCWSVSA-N 0 0 398.896 5.000 50 10 GJCARN COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053364800 205137265 /nfs/dbraw/zinc/13/72/65/205137265.db2.gz DGVHFEQHLWQJBM-FYYLOGMGSA-N 0 0 376.431 4.762 50 10 GJCARN O=C(c1ccc(F)cc1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000000972781 205807089 /nfs/dbraw/zinc/80/70/89/205807089.db2.gz IKPGBOBBFCMBIR-NTEUORMPSA-N 0 0 377.849 4.521 50 10 GJCARN CCN1c2ccc(OC)cc2C=C/C1=C1/SC(=S)N(c2ccccc2)C1=O ZINC000055027888 205923757 /nfs/dbraw/zinc/92/37/57/205923757.db2.gz CBSSPOJGCYUDRY-HNENSFHCSA-N 0 0 394.521 4.825 50 10 GJCARN CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000239402677 206124763 /nfs/dbraw/zinc/12/47/63/206124763.db2.gz QZEVZHPZXRMEDG-PDLBJYQGSA-N 0 0 385.482 5.923 50 10 GJCARN COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc1 ZINC000004151406 211621793 /nfs/dbraw/zinc/62/17/93/211621793.db2.gz XMQNBARUIWVRMS-QKLQHJQFSA-N 0 0 378.428 4.825 50 10 GJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000100024980 211381992 /nfs/dbraw/zinc/38/19/92/211381992.db2.gz KQFVEOPVRIHXDO-MHWRWJLKSA-N 0 0 390.668 4.821 50 10 GJCARN COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000016948906 211277391 /nfs/dbraw/zinc/27/73/91/211277391.db2.gz WPTJGNQPAZJAAC-WQRHYEAKSA-N 0 0 399.288 4.881 50 10 GJCARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc2c(c1)OCO2)CO3 ZINC000002113284 136193237 /nfs/dbraw/zinc/19/32/37/136193237.db2.gz ZIFNPLXROABOAM-UHFFFAOYSA-N 0 0 399.402 4.545 50 10 biogenic GJCARN CC1(C)C[C@](C)(c2ccc(O)cc2O)N(c2cccc(Cl)c2)C(=S)N1 ZINC000008686021 534935233 /nfs/dbraw/zinc/93/52/33/534935233.db2.gz CDQHRZRAMWXLIA-LJQANCHMSA-N 0 0 376.909 4.941 50 10 GJCARN O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1 ZINC000001046143 570238322 /nfs/dbraw/zinc/23/83/22/570238322.db2.gz YPEURNLHWSXYFB-ZROIWOOFSA-N 0 0 376.846 4.654 50 10 GJCARN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000001101627 570242076 /nfs/dbraw/zinc/24/20/76/570242076.db2.gz OISBXKSEYRNIFQ-OVCLIPMQSA-N 0 0 380.391 4.779 50 10 GJCARN Cc1c2ccc([O-])c(C[N@H+]3CCC[C@H](C)C3)c2oc(=O)c1Cc1ccccc1 ZINC000001256337 570259655 /nfs/dbraw/zinc/25/96/55/570259655.db2.gz BHJNDUBILNOCKM-INIZCTEOSA-N 0 0 377.484 4.630 50 10 GJCARN COc1ccc(NC(=C2C(C)=NN(c3ccccc3)C2=O)c2ccccc2)cc1 ZINC000100210547 570268875 /nfs/dbraw/zinc/26/88/75/570268875.db2.gz AOMQGILKTQZDOO-FCQUAONHSA-N 0 0 383.451 4.941 50 10 GJCARN Cc1cccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000006329583 570392111 /nfs/dbraw/zinc/39/21/11/570392111.db2.gz HBCKVBXHTUFBSJ-UHFFFAOYSA-N 0 0 384.383 4.544 50 10 GJCARN COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1OC ZINC000005066519 570409937 /nfs/dbraw/zinc/40/99/37/570409937.db2.gz AWJZIDFMWNNILC-BOPFTXTBSA-N 0 0 385.510 4.726 50 10 GJCARN COc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 ZINC000005137991 570425102 /nfs/dbraw/zinc/42/51/02/570425102.db2.gz XOJHLMWXKGQLKK-MWQVBJQISA-N 0 0 396.516 4.675 50 10 GJCARN Cc1cc(C)cc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 ZINC000005102361 570429490 /nfs/dbraw/zinc/42/94/90/570429490.db2.gz CNQOGGPIILAQGI-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN CCOc1ccc(CN(Cc2nc(C)no2)c2ccc(OC)c(Cl)c2)cc1 ZINC000028268769 570453801 /nfs/dbraw/zinc/45/38/01/570453801.db2.gz ATWDXNFLFAQWID-UHFFFAOYSA-N 0 0 387.867 4.646 50 10 GJCARN CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(C[NH+](C)C)c1[O-] ZINC000038528033 570579589 /nfs/dbraw/zinc/57/95/89/570579589.db2.gz ADXDZPMECNDKCE-UHFFFAOYSA-N 0 0 394.496 4.708 50 10 GJCARN Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2C(c3ccccc3)=CSC2=NC1=O ZINC000013800782 570696687 /nfs/dbraw/zinc/69/66/87/570696687.db2.gz KPQBYIGISFDNPP-BPHBXOPHSA-N 0 0 384.464 4.781 50 10 GJCARN CC(C)c1nc(-n2cccc2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000065118581 570706072 /nfs/dbraw/zinc/70/60/72/570706072.db2.gz OROAMQKQDISLOM-UHFFFAOYSA-N 0 0 394.544 4.587 50 10 GJCARN CC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000058423233 570732628 /nfs/dbraw/zinc/73/26/28/570732628.db2.gz UYJVCJJNGQUOHS-UHFFFAOYSA-N 0 0 381.863 4.958 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O ZINC000013564000 570758884 /nfs/dbraw/zinc/75/88/84/570758884.db2.gz RQJRUCSIJZKCQC-WQRHYEAKSA-N 0 0 385.510 4.814 50 10 GJCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 ZINC000169697253 570784851 /nfs/dbraw/zinc/78/48/51/570784851.db2.gz JXOIIPFRFQUXMS-XQBPLPMBSA-N 0 0 389.455 4.657 50 10 GJCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(F)c(F)cc1Cl ZINC000005948345 570807865 /nfs/dbraw/zinc/80/78/65/570807865.db2.gz CVVUCRUVMMQCTK-UHFFFAOYSA-N 0 0 397.764 4.646 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/c3ccccc3OC)N=C2c2ccccc2)cc1 ZINC000005959440 570809073 /nfs/dbraw/zinc/80/90/73/570809073.db2.gz CEJICYNKZKCWMN-PGMHBOJBSA-N 0 0 384.435 4.538 50 10 GJCARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000101129544 570815613 /nfs/dbraw/zinc/81/56/13/570815613.db2.gz UHFCPIPEJGQVCA-GZTJUZNOSA-N 0 0 376.485 4.940 50 10 GJCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007423157 570840925 /nfs/dbraw/zinc/84/09/25/570840925.db2.gz IGWDMIPUQVVXTO-UHFFFAOYSA-N 0 0 391.418 4.837 50 10 GJCARN CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc1 ZINC000015016475 570871818 /nfs/dbraw/zinc/87/18/18/570871818.db2.gz ONFKLVJBOAVVLN-HMAPJEAMSA-N 0 0 384.435 4.961 50 10 GJCARN CCCCCCN1C(=O)C(=CNc2cccc(C(=O)OCC)c2)SC1=S ZINC000102985206 570872603 /nfs/dbraw/zinc/87/26/03/570872603.db2.gz HRRCOVCNDUDPNU-SSZFMOIBSA-N 0 0 392.546 4.557 50 10 GJCARN CC(=O)c1cc2c(N)c(C(=O)OCc3cccc4ccccc43)sc2nc1C ZINC000012569411 570873288 /nfs/dbraw/zinc/87/32/88/570873288.db2.gz DODRCYOVFMAIQT-UHFFFAOYSA-N 0 0 390.464 4.900 50 10 GJCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000016678470 570930783 /nfs/dbraw/zinc/93/07/83/570930783.db2.gz KLHTVTDQTMTROY-RGEXLXHISA-N 0 0 382.554 4.934 50 10 GJCARN O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000016791094 570933668 /nfs/dbraw/zinc/93/36/68/570933668.db2.gz JOVWRTLOVOMXLB-QGOAFFKASA-N 0 0 397.456 4.701 50 10 GJCARN COc1ccc(C2=NN(C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)c(O)c1 ZINC000001235357 570935404 /nfs/dbraw/zinc/93/54/04/570935404.db2.gz BTRVDIXOMHPPBI-QFIPXVFZSA-N 0 0 386.451 4.701 50 10 GJCARN CC(Nc1cccc(Cl)c1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000018250798 210218468 /nfs/dbraw/zinc/21/84/68/210218468.db2.gz CWHZNXJLXZQUES-LDADJPATSA-N 0 0 384.823 4.665 50 10 GJCARN COc1ccc(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)c(OC)c1 ZINC000015016096 210142992 /nfs/dbraw/zinc/14/29/92/210142992.db2.gz FDMDYIRWSDNZKW-MFOYZWKCSA-N 0 0 388.876 4.748 50 10 GJCARN C[C@H](COc1ccccc1)COc1ccccc1/C=C1\SC(=S)N(C)C1=O ZINC000013894777 210096392 /nfs/dbraw/zinc/09/63/92/210096392.db2.gz KHELLLLIXXNPNH-VUFYJBQKSA-N 0 0 399.537 4.612 50 10 GJCARN CCCCN1c2ccccc2/C(=C2/SC(=S)N(c3ccccc3)C2=O)C1=O ZINC000013534684 210064640 /nfs/dbraw/zinc/06/46/40/210064640.db2.gz BGTUMWSMZPFEPP-ZCXUNETKSA-N 0 0 394.521 4.609 50 10 GJCARN COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)ccc1OC(F)F ZINC000007165873 209723123 /nfs/dbraw/zinc/72/31/23/209723123.db2.gz VSAWBTZNKJXCNK-YBEGLDIGSA-N 0 0 390.411 4.687 50 10 GJCARN CN(C(=O)CSc1ncc(-c2ccccc2)n1C)[C@@H]1CCCc2ccccc21 ZINC000007131192 209721843 /nfs/dbraw/zinc/72/18/43/209721843.db2.gz KSIHAFFZQIIXJU-HXUWFJFHSA-N 0 0 391.540 4.715 50 10 GJCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000005092449 209569419 /nfs/dbraw/zinc/56/94/19/209569419.db2.gz LVPXXDZRUXMZDT-UHFFFAOYSA-N 0 0 377.399 4.868 50 10 GJCARN CCCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000002677974 209376170 /nfs/dbraw/zinc/37/61/70/209376170.db2.gz QJNSVEGKLZEOMF-CYVLTUHYSA-N 0 0 383.538 4.919 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000001416641 209327365 /nfs/dbraw/zinc/32/73/65/209327365.db2.gz KOZJIEDRGFYXRT-CXUHLZMHSA-N 0 0 391.901 4.763 50 10 GJCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000001229672 209316779 /nfs/dbraw/zinc/31/67/79/209316779.db2.gz RMKBTOVVJDDQBO-UVTDQMKNSA-N 0 0 376.300 4.855 50 10 GJCARN CC(C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000801075 209266041 /nfs/dbraw/zinc/26/60/41/209266041.db2.gz FZZKXYZKZSGQJS-LJQANCHMSA-N 0 0 397.906 4.521 50 10 GJCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1O ZINC000000668180 209256555 /nfs/dbraw/zinc/25/65/55/209256555.db2.gz IOQAFNONXFOGSU-MDWZMJQESA-N 0 0 391.254 4.904 50 10 GJCARN CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1OCC ZINC000000647664 209255249 /nfs/dbraw/zinc/25/52/49/209255249.db2.gz KRVUNWRAOHRMRN-DEDYPNTBSA-N 0 0 378.472 4.907 50 10 GJCARN O=C1N=C(NC2CCCCC2)SC1=Cc1ccccc1OCc1cccnc1 ZINC000096179246 203833266 /nfs/dbraw/zinc/83/32/66/203833266.db2.gz BIPRJKYHAYHYPC-DEDYPNTBSA-N 0 0 393.512 4.553 50 10 GJCARN Cc1ccc(N2NC(=O)/C(=C\c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000000973683 203869500 /nfs/dbraw/zinc/86/95/00/203869500.db2.gz RYWOTDRXBYJISH-HZHRSRAPSA-N 0 0 378.431 4.763 50 10 GJCARN COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1O ZINC000002255137 203933354 /nfs/dbraw/zinc/93/33/54/203933354.db2.gz TVOXGKIWDJTFTJ-NVNXTCNLSA-N 0 0 391.901 4.768 50 10 GJCARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000004702335 204066609 /nfs/dbraw/zinc/06/66/09/204066609.db2.gz QOFPAQMHMSSQMG-MOSHPQCFSA-N 0 0 393.508 4.903 50 10 GJCARN CC1CCN(S(=O)(=O)c2ccc(NN=C3C=C(Cl)C=CC3=O)cc2)CC1 ZINC000004657152 204059208 /nfs/dbraw/zinc/05/92/08/204059208.db2.gz PNKYGHMDGSTGLA-QZQOTICOSA-N 0 0 393.896 4.882 50 10 GJCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(O)cc1 ZINC000005073018 204109808 /nfs/dbraw/zinc/10/98/08/204109808.db2.gz GQDXXWHROQBAHL-NBVRZTHBSA-N 0 0 384.391 4.772 50 10 aggregator GJCARN CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)SC1=S ZINC000005103113 204112328 /nfs/dbraw/zinc/11/23/28/204112328.db2.gz DXKDAFSBCLZXNO-CXUHLZMHSA-N 0 0 393.892 4.889 50 10 GJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S ZINC000005504883 204135560 /nfs/dbraw/zinc/13/55/60/204135560.db2.gz FGEPKZAIDKJYQO-BXUJETTOSA-N 0 0 379.506 4.968 50 10 GJCARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)c1 ZINC000006721671 204194326 /nfs/dbraw/zinc/19/43/26/204194326.db2.gz KHAAOUWXXPDLFC-XUZZJYLKSA-N 0 0 386.451 4.952 50 10 GJCARN COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721816 204194624 /nfs/dbraw/zinc/19/46/24/204194624.db2.gz DIFXVNPYNFOGAX-IERDGZPVSA-N 0 0 378.453 4.705 50 10 GJCARN CC(NCC(C)C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000009059552 204298296 /nfs/dbraw/zinc/29/82/96/204298296.db2.gz ZRVXQDOOPBGMDJ-CYVLTUHYSA-N 0 0 390.512 4.567 50 10 GJCARN CCc1sc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1C ZINC000069436259 205276633 /nfs/dbraw/zinc/27/66/33/205276633.db2.gz GPOGNHLXSWVEFI-LJQANCHMSA-N 0 0 386.561 4.506 50 10 GJCARN Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c(C)[nH]1 ZINC000022417722 205953208 /nfs/dbraw/zinc/95/32/08/205953208.db2.gz RPAVJYPXMLPKSW-SFHVURJKSA-N 0 0 395.528 4.649 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000227486818 206102124 /nfs/dbraw/zinc/10/21/24/206102124.db2.gz NMKZSRFCGHBDPK-KKSFZXQISA-N 0 0 396.830 4.890 50 10 GJCARN COc1ccc(OC)c(C2=C/C(=C/c3c(OC)ccc4ccccc43)C(=O)O2)c1 ZINC000000657174 211485923 /nfs/dbraw/zinc/48/59/23/211485923.db2.gz IOBCJVGXRSFAKN-VBKFSLOCSA-N 0 0 388.419 4.847 50 10 GJCARN Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100499918 211387335 /nfs/dbraw/zinc/38/73/35/211387335.db2.gz FYTGOYCDQHTOIM-ZROIWOOFSA-N 0 0 391.214 4.620 50 10 GJCARN COc1ccc([C@@H]2N=C(c3ccc(F)cc3)C[C@@H](c3ccccc3O)N2)cc1 ZINC000080325042 211157870 /nfs/dbraw/zinc/15/78/70/211157870.db2.gz ZEDFSBQGAYMBFW-JTHBVZDNSA-N 0 0 376.431 4.762 50 10 GJCARN CCc1sc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1C ZINC000069436252 211038159 /nfs/dbraw/zinc/03/81/59/211038159.db2.gz GPOGNHLXSWVEFI-IBGZPJMESA-N 0 0 386.561 4.506 50 10 GJCARN CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)sc1C ZINC000069436359 211037770 /nfs/dbraw/zinc/03/77/70/211037770.db2.gz YPIANGUBQXKUPF-HXUWFJFHSA-N 0 0 386.561 4.506 50 10 GJCARN Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)ccc2cccnc21 ZINC000021486246 210383041 /nfs/dbraw/zinc/38/30/41/210383041.db2.gz BMBNTQYGBGSDPL-IBGZPJMESA-N 0 0 389.282 4.669 50 10 GJCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccccn1 ZINC000010215224 221098465 /nfs/dbraw/zinc/09/84/65/221098465.db2.gz MYCVCSHANFGYPJ-WIYYLYMNSA-N 0 0 377.831 4.683 50 10 GJCARN O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000101640248 136189762 /nfs/dbraw/zinc/18/97/62/136189762.db2.gz PPHLXSUAQQATPK-QFHJOOASSA-N 0 0 385.463 4.764 50 10 GJCARN CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OC)c(Cl)c2)CO1 ZINC000002158990 535776970 /nfs/dbraw/zinc/77/69/70/535776970.db2.gz BQJPHTCMIWTBBL-UHFFFAOYSA-N 0 0 385.847 4.764 50 10 biogenic GJCARN O=[N+]([O-])c1cccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2O)c1 ZINC000001463222 570230112 /nfs/dbraw/zinc/23/01/12/570230112.db2.gz SBJMCERUBAHADF-MRXNPFEDSA-N 0 0 378.413 4.507 50 10 GJCARN COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OCCC(C)C ZINC000001158967 570251447 /nfs/dbraw/zinc/25/14/47/570251447.db2.gz HPSHJJVQFZLDBX-XMHGGMMESA-N 0 0 388.533 4.576 50 10 GJCARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C\c2ccccc2)N=C1c1ccccc1 ZINC000001510811 570254213 /nfs/dbraw/zinc/25/42/13/570254213.db2.gz KIBWLYHZJOAGPE-XSFVSMFZSA-N 0 0 383.407 4.738 50 10 GJCARN C[C@@H](COc1ccccc1)COc1ccccc1/C=C1/SC(=S)N(C)C1=O ZINC000001181493 570255482 /nfs/dbraw/zinc/25/54/82/570255482.db2.gz KHELLLLIXXNPNH-UZUMKDMXSA-N 0 0 399.537 4.612 50 10 GJCARN COc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1 ZINC000004867775 570350834 /nfs/dbraw/zinc/35/08/34/570350834.db2.gz GASJBOUTBIYQKF-FQEVSTJZSA-N 0 0 380.831 4.825 50 10 GJCARN O=c1c(C=Nc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100329276 570354033 /nfs/dbraw/zinc/35/40/33/570354033.db2.gz SJRIOUMUGPELRZ-UVTDQMKNSA-N 0 0 399.294 4.966 50 10 GJCARN CN(C)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000004913704 570363931 /nfs/dbraw/zinc/36/39/31/570363931.db2.gz LEVOIKJTRLSWOE-AUUYWEPGSA-N 0 0 383.561 4.819 50 10 GJCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(F)cc1 ZINC000004591374 570386054 /nfs/dbraw/zinc/38/60/54/570386054.db2.gz RXAJZIABVALWEQ-ZROIWOOFSA-N 0 0 394.290 4.994 50 10 GJCARN Cc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)c(C)n1-c1ccc(F)cc1 ZINC000025026920 570403372 /nfs/dbraw/zinc/40/33/72/570403372.db2.gz KXMFAYMYCAMHGC-UHFFFAOYSA-N 0 0 380.419 4.647 50 10 GJCARN CCN(CC)c1ccc(CN(C(=O)COc2ccccc2)c2ccccn2)cc1 ZINC000028291147 570455975 /nfs/dbraw/zinc/45/59/75/570455975.db2.gz IOHZHEVYKZKVLE-UHFFFAOYSA-N 0 0 389.499 4.540 50 10 GJCARN COc1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2cccc(F)c2)cc1 ZINC000005196294 570500126 /nfs/dbraw/zinc/50/01/26/570500126.db2.gz MXPUQAHGGDGNNO-BKUYFWCQSA-N 0 0 390.389 4.808 50 10 GJCARN CSc1ccccc1N1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O ZINC000032919331 570516319 /nfs/dbraw/zinc/51/63/19/570516319.db2.gz TWQCAPRKSSYKHR-UHFFFAOYSA-N 0 0 376.437 4.584 50 10 GJCARN COc1cccc2c1O[C@H](c1cccc(C)c1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000006721725 570550329 /nfs/dbraw/zinc/55/03/29/570550329.db2.gz LCXVLUCQOIHBRG-GBXCKJPGSA-N 0 0 386.451 4.952 50 10 GJCARN C[C@H]1CCCN(c2cc(N3CCCC3)c3noc4c3c2C(=O)c2ccccc2-4)C1 ZINC000006738011 570562490 /nfs/dbraw/zinc/56/24/90/570562490.db2.gz KNGIDOJYBWMIGM-HNNXBMFYSA-N 0 0 387.483 4.876 50 10 GJCARN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1 ZINC000005587487 570663406 /nfs/dbraw/zinc/66/34/06/570663406.db2.gz KLRZCVRTXXKDAY-XDHOZWIPSA-N 0 0 391.521 4.895 50 10 GJCARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000000753591 570709496 /nfs/dbraw/zinc/70/94/96/570709496.db2.gz RGLGURTVWGJTKI-GDNBJRDFSA-N 0 0 394.298 4.999 50 10 GJCARN CCOc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000006949909 570720182 /nfs/dbraw/zinc/72/01/82/570720182.db2.gz VXDRYHHYZZYSNK-REWPJTCUSA-N 0 0 382.504 4.695 50 10 GJCARN CCN1C(=O)/C(=C/c2ccc(COc3ccccc3Cl)o2)SC1=S ZINC000001015939 570746837 /nfs/dbraw/zinc/74/68/37/570746837.db2.gz HTYRTFQFTCJELG-DHDCSXOGSA-N 0 0 379.890 4.733 50 10 GJCARN Cc1[nH+]c2cc(NCc3cc([N+](=O)[O-])ccc3[O-])ccc2n1Cc1ccccc1 ZINC000169364949 570780973 /nfs/dbraw/zinc/78/09/73/570780973.db2.gz HSCUDSYIDYCLPT-UHFFFAOYSA-N 0 0 388.427 4.619 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000101114268 570814601 /nfs/dbraw/zinc/81/46/01/570814601.db2.gz DKNGKAITLQFWST-XNTDXEJSSA-N 0 0 382.876 4.977 50 10 GJCARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(Cl)cc4)N=C3C)sc2c1 ZINC000101122312 570815382 /nfs/dbraw/zinc/81/53/82/570815382.db2.gz ARKJSAMSHBMGRO-XNTDXEJSSA-N 0 0 398.875 4.677 50 10 GJCARN Oc1ccc(Cl)cc1CNc1ncc(Br)cc1Br ZINC000018322509 570826816 /nfs/dbraw/zinc/82/68/16/570826816.db2.gz SBGFBCFMFJCPNC-UHFFFAOYSA-N 0 0 392.478 4.578 50 10 GJCARN Cc1cc(C(=O)CSc2nnc(-c3ccc[nH]3)o2)c(C)n1-c1cccc(C)c1 ZINC000044030461 570857134 /nfs/dbraw/zinc/85/71/34/570857134.db2.gz IZBFZFLXYCGZMZ-UHFFFAOYSA-N 0 0 392.484 4.756 50 10 GJCARN COc1ccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000003340081 570858313 /nfs/dbraw/zinc/85/83/13/570858313.db2.gz WKOAWROZQSYNLA-UHFFFAOYSA-N 0 0 396.494 4.632 50 10 GJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1cccnc1 ZINC000102907277 570870881 /nfs/dbraw/zinc/87/08/81/570870881.db2.gz MSENSSDQASDNBY-RXVVDRJESA-N 0 0 377.831 4.683 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccccc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000103563094 570886756 /nfs/dbraw/zinc/88/67/56/570886756.db2.gz OYWPLXXKJRKSTJ-YKSBVNFPSA-N 0 0 386.451 4.952 50 10 GJCARN Cc1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c(C)[nH]1 ZINC000022417725 570889968 /nfs/dbraw/zinc/88/99/68/570889968.db2.gz RPAVJYPXMLPKSW-GOSISDBHSA-N 0 0 395.528 4.649 50 10 GJCARN COc1ccc(N2CCN(C(=S)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000017080958 570941371 /nfs/dbraw/zinc/94/13/71/570941371.db2.gz JYCPGVREZAXMDZ-UHFFFAOYSA-N 0 0 396.343 4.521 50 10 GJCARN FC(F)(F)Oc1ccc(N2CC[C@@H](CNc3nc4ccccc4o3)C2)cc1 ZINC000084600427 571026196 /nfs/dbraw/zinc/02/61/96/571026196.db2.gz YGJULBXUACVQRG-ZDUSSCGKSA-N 0 0 377.366 4.665 50 10 GJCARN Cc1ccnc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2O)c1 ZINC000015015679 210143611 /nfs/dbraw/zinc/14/36/11/210143611.db2.gz QDORQCOMNULDDO-NRFANRHFSA-N 0 0 385.423 4.574 50 10 GJCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000015008453 210143090 /nfs/dbraw/zinc/14/30/90/210143090.db2.gz BLGVZMGIHFHULL-QGOAFFKASA-N 0 0 384.526 4.557 50 10 GJCARN C[C@@H]1Cc2cc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)ccc2O1 ZINC000013813731 210091758 /nfs/dbraw/zinc/09/17/58/210091758.db2.gz UMVUTQHBZIVKDF-HIPMGEKLSA-N 0 0 385.485 4.551 50 10 GJCARN O=C(c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21)N1CCCC1 ZINC000013382215 210061450 /nfs/dbraw/zinc/06/14/50/210061450.db2.gz YVXGPJAHJFSSKT-DBXWQHBBSA-N 0 0 389.455 4.657 50 10 GJCARN COc1ccc(OC)c(NC(=O)NCc2cc(C)n(-c3ccc(C)cc3)c2C)c1 ZINC000009228542 209819482 /nfs/dbraw/zinc/81/94/82/209819482.db2.gz JINORGANKYOORP-UHFFFAOYSA-N 0 0 393.487 4.741 50 10 GJCARN Cc1cc(C(=O)OCc2nnc(-c3cccs3)o2)c(C)n1-c1ccccc1 ZINC000006831434 209695408 /nfs/dbraw/zinc/69/54/08/209695408.db2.gz RNRSSXQAPRKEFN-UHFFFAOYSA-N 0 0 379.441 4.563 50 10 GJCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1C1CCCCC1 ZINC000005568425 209603460 /nfs/dbraw/zinc/60/34/60/209603460.db2.gz AXQXRJXXKAXHES-UVTDQMKNSA-N 0 0 382.348 4.983 50 10 GJCARN CCCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc21 ZINC000002870341 209393408 /nfs/dbraw/zinc/39/34/08/209393408.db2.gz BKSDMVNJYNJHPO-XMMPIXPASA-N 0 0 393.483 4.958 50 10 GJCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccccc1Br ZINC000002223311 209350702 /nfs/dbraw/zinc/35/07/02/209350702.db2.gz QSELQWMSLKWIGI-ZROIWOOFSA-N 0 0 394.290 4.994 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccccn1 ZINC000010215323 209321588 /nfs/dbraw/zinc/32/15/88/209321588.db2.gz KEAVQKQEZPAXGU-RXVVDRJESA-N 0 0 377.831 4.683 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 ZINC000001241413 209317755 /nfs/dbraw/zinc/31/77/55/209317755.db2.gz LOOZYHREACRICV-ZDLGFXPLSA-N 0 0 385.510 4.726 50 10 GJCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 ZINC000001002925 209287379 /nfs/dbraw/zinc/28/73/79/209287379.db2.gz WSHMGONZXBPPGS-RGEXLXHISA-N 0 0 398.553 4.947 50 10 GJCARN O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000000943241 209281667 /nfs/dbraw/zinc/28/16/67/209281667.db2.gz BXYRYLJIIOSAOP-VWLOTQADSA-N 0 0 383.447 4.830 50 10 GJCARN COc1ccc(-n2cnc3cc(NCc4cccc(OC)c4OC)ccc32)cc1 ZINC000000862246 209273396 /nfs/dbraw/zinc/27/33/96/209273396.db2.gz DGGFGNOCHBWENN-UHFFFAOYSA-N 0 0 389.455 4.663 50 10 GJCARN COc1ccc(O)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000000684590 209258927 /nfs/dbraw/zinc/25/89/27/209258927.db2.gz RBUBSYQAYDNEIB-LAUBAEHRSA-N 0 0 378.453 4.705 50 10 GJCARN O=C1C(c2ccccc2)=S=C2N=C(c3ccccc3)c3cc(Cl)ccc3N12 ZINC000334157885 209196308 /nfs/dbraw/zinc/19/63/08/209196308.db2.gz AOUYODBNMDDWTH-UHFFFAOYSA-N 0 0 388.879 4.579 50 10 GJCARN COc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000011865266 203827678 /nfs/dbraw/zinc/82/76/78/203827678.db2.gz QLPKJMOJXSWDEW-IYBDPMFKSA-N 0 0 393.483 4.652 50 10 biogenic GJCARN CCc1cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c(C[NH+](C)C)c1[O-] ZINC000001165778 203893129 /nfs/dbraw/zinc/89/31/29/203893129.db2.gz UTGGEOVXGGMXKL-UHFFFAOYSA-N 0 0 391.389 4.808 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)ccc1O ZINC000001245364 203899658 /nfs/dbraw/zinc/89/96/58/203899658.db2.gz HDLQFGUBTOBHKV-YBEGLDIGSA-N 0 0 391.901 4.850 50 10 GJCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000004369845 204042116 /nfs/dbraw/zinc/04/21/16/204042116.db2.gz ZUJJRWDBMZSNLS-AJUKGGFZSA-N 0 0 398.875 4.875 50 10 GJCARN Cc1ccc(C(=O)Nc2ccc(Cl)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004258644 204035711 /nfs/dbraw/zinc/03/57/11/204035711.db2.gz QYDICSXJKMSFGG-UHFFFAOYSA-N 0 0 375.811 4.676 50 10 GJCARN CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000004516846 204049880 /nfs/dbraw/zinc/04/98/80/204049880.db2.gz HBHNMGQRAOXIGC-XDHOZWIPSA-N 0 0 393.874 4.564 50 10 GJCARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000004624144 204058481 /nfs/dbraw/zinc/05/84/81/204058481.db2.gz IPQWVKCFKOWFSG-RBUKOAKNSA-N 0 0 379.843 4.576 50 10 GJCARN CC(C)c1ccccc1OCCOc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000004680180 204063536 /nfs/dbraw/zinc/06/35/36/204063536.db2.gz AWBOYFPYHVOBPE-UYRXBGFRSA-N 0 0 399.537 4.757 50 10 GJCARN COc1ccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)c2=O)cc1 ZINC000005185287 204117832 /nfs/dbraw/zinc/11/78/32/204117832.db2.gz WMLNZZILBDNROI-HNNXBMFYSA-N 0 0 395.455 4.531 50 10 GJCARN CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000004996971 204101363 /nfs/dbraw/zinc/10/13/63/204101363.db2.gz PVUXAIQEIPTUBJ-ICFOKQHNSA-N 0 0 391.558 4.792 50 10 GJCARN CCCCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC ZINC000005554499 204140512 /nfs/dbraw/zinc/14/05/12/204140512.db2.gz VOTWRQHLLRZAHM-UHFFFAOYSA-N 0 0 380.440 4.745 50 10 GJCARN CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000006781035 204204181 /nfs/dbraw/zinc/20/41/81/204204181.db2.gz VNVNVXZACVGQIW-UHFFFAOYSA-N 0 0 390.483 4.931 50 10 GJCARN COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1Cl ZINC000006804345 204208103 /nfs/dbraw/zinc/20/81/03/204208103.db2.gz JFPHITMSFIFPPS-UHFFFAOYSA-N 0 0 398.890 4.850 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000006721765 204194318 /nfs/dbraw/zinc/19/43/18/204194318.db2.gz AYPZKFNVJCAHSN-XUZZJYLKSA-N 0 0 386.451 4.952 50 10 GJCARN Cc1cc2nc(/C=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2cc1C ZINC000006904037 204222849 /nfs/dbraw/zinc/22/28/49/204222849.db2.gz NXLZNLQMTSPOMI-GQCTYLIASA-N 0 0 395.484 4.828 50 10 GJCARN C[C@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)c1cccc(Cl)c1 ZINC000007130622 204234345 /nfs/dbraw/zinc/23/43/45/204234345.db2.gz GUOIGCLMAUBNKY-AWEZNQCLSA-N 0 0 385.920 4.710 50 10 GJCARN Cc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000009232525 204303490 /nfs/dbraw/zinc/30/34/90/204303490.db2.gz NDBDGEJHHFKOMS-OQLLNIDSSA-N 0 0 390.873 4.962 50 10 GJCARN O=C(CC[C@H]1CCCO1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048678325 205124191 /nfs/dbraw/zinc/12/41/91/205124191.db2.gz YQAGEZAMFZVSAE-DVECYGJZSA-N 0 0 375.468 4.710 50 10 GJCARN CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c1 ZINC000058366527 205173905 /nfs/dbraw/zinc/17/39/05/205173905.db2.gz OUMSCOYCXNSBAK-QHCPKHFHSA-N 0 0 388.467 4.866 50 10 GJCARN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)C(C)C)cc1F ZINC000069445227 205276194 /nfs/dbraw/zinc/27/61/94/205276194.db2.gz HYAHHOKOXVCAKM-UHFFFAOYSA-N 0 0 385.266 4.995 50 10 GJCARN Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000098086290 205602776 /nfs/dbraw/zinc/60/27/76/205602776.db2.gz NMKWACZLMDLNKH-VIZOYTHASA-N 0 0 380.897 4.718 50 10 GJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)SC1=S ZINC000016810379 205908622 /nfs/dbraw/zinc/90/86/22/205908622.db2.gz WHJXWLVCNUSNND-ITTZRFAVSA-N 0 0 381.522 4.972 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000103604768 211618120 /nfs/dbraw/zinc/61/81/20/211618120.db2.gz LLBMGVNZAHXEPR-PSVHDLGESA-N 0 0 396.903 4.915 50 10 GJCARN O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCc1ccc(O)cc1O ZINC000095524067 211269922 /nfs/dbraw/zinc/26/99/22/211269922.db2.gz DUJPPPDMYSVSAJ-LJQANCHMSA-N 0 0 381.859 4.590 50 10 GJCARN CN(C)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3Cl)C2=O)cc1 ZINC000016186345 211217393 /nfs/dbraw/zinc/21/73/93/211217393.db2.gz KRLKPSUIMBEIFR-BOPFTXTBSA-N 0 0 387.892 4.512 50 10 GJCARN COc1ccc([C@@H]2N=C(c3ccc(F)cc3)C[C@H](c3ccccc3O)N2)cc1 ZINC000080325053 211158522 /nfs/dbraw/zinc/15/85/22/211158522.db2.gz ZEDFSBQGAYMBFW-FYYLOGMGSA-N 0 0 376.431 4.762 50 10 GJCARN O=C(NCc1cccnc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000042898919 210802634 /nfs/dbraw/zinc/80/26/34/210802634.db2.gz IPJKJTUDHIKXKF-HSZRJFAPSA-N 0 0 383.451 4.529 50 10 GJCARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(Cl)c1)CO3 ZINC000002112738 536095733 /nfs/dbraw/zinc/09/57/33/536095733.db2.gz POXIFKLNPGACFB-UHFFFAOYSA-N 0 0 385.847 4.682 50 10 biogenic GJCARN CCOc1cc(Cl)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000085418958 570228300 /nfs/dbraw/zinc/22/83/00/570228300.db2.gz IYTNPWJHAQXNQT-BOPFTXTBSA-N 0 0 384.863 4.944 50 10 GJCARN O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1 ZINC000001008555 570235176 /nfs/dbraw/zinc/23/51/76/570235176.db2.gz GIVQIRXYODFKAJ-UYRXBGFRSA-N 0 0 382.460 4.662 50 10 GJCARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)SC1=S ZINC000005174384 570249506 /nfs/dbraw/zinc/24/95/06/570249506.db2.gz QZGXBJMMYJRLSD-MHWRWJLKSA-N 0 0 376.934 4.969 50 10 GJCARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1 ZINC000001409514 570262258 /nfs/dbraw/zinc/26/22/58/570262258.db2.gz PBBQXLZGOFZIOY-LJQANCHMSA-N 0 0 393.516 4.610 50 10 GJCARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1Cl ZINC000100316988 570270917 /nfs/dbraw/zinc/27/09/17/570270917.db2.gz KOFSYAUSJNHBDI-LFIBNONCSA-N 0 0 384.863 4.944 50 10 GJCARN CC(NCc1ccccc1Cl)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000101135491 570281114 /nfs/dbraw/zinc/28/11/14/570281114.db2.gz YFTXYODASDZGCS-PDGQHHTCSA-N 0 0 396.903 4.736 50 10 GJCARN Cc1cccc(C)c1OCCOc1ccccc1/C=C1\SC(=S)N(C)C1=O ZINC000022229228 570308156 /nfs/dbraw/zinc/30/81/56/570308156.db2.gz VBGMBQIMLVCWSU-AQTBWJFISA-N 0 0 399.537 4.592 50 10 GJCARN CCc1ccc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000002882549 570316120 /nfs/dbraw/zinc/31/61/20/570316120.db2.gz PTLHXSBBLYAQFE-XMHGGMMESA-N 0 0 399.537 4.586 50 10 GJCARN Cc1ccnc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1 ZINC000002978255 570321628 /nfs/dbraw/zinc/32/16/28/570321628.db2.gz CKWCYYXSFATAIE-FQEVSTJZSA-N 0 0 386.411 4.754 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S ZINC000004725603 570398151 /nfs/dbraw/zinc/39/81/51/570398151.db2.gz CTIGPFJHJRYEMD-XDHOZWIPSA-N 0 0 399.537 4.804 50 10 GJCARN Cc1ccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 ZINC000004725796 570398444 /nfs/dbraw/zinc/39/84/44/570398444.db2.gz FETRPPNVMGIURI-SFQUDFHCSA-N 0 0 381.479 4.931 50 10 GJCARN Cc1ccc([C@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000004903390 570416687 /nfs/dbraw/zinc/41/66/87/570416687.db2.gz SGMUTMBUJAZEJZ-QHCPKHFHSA-N 0 0 382.463 4.697 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1 ZINC000006455716 570426491 /nfs/dbraw/zinc/42/64/91/570426491.db2.gz NOBMVPDXNQTXRR-QXGSTRBFSA-N 0 0 395.505 4.808 50 10 GJCARN CC(C)(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000012437356 570662497 /nfs/dbraw/zinc/66/24/97/570662497.db2.gz JEWBXANLXUPMIO-LGMDPLHJSA-N 0 0 396.537 4.530 50 10 GJCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000006961224 570721936 /nfs/dbraw/zinc/72/19/36/570721936.db2.gz RRCZREPQDQDYFO-WQRHYEAKSA-N 0 0 385.510 4.873 50 10 GJCARN COc1ccc(OC)c(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)c1 ZINC000005017500 570730965 /nfs/dbraw/zinc/73/09/65/570730965.db2.gz GOEIFQMFFHZZHM-DHZHZOJOSA-N 0 0 377.223 4.992 50 10 GJCARN Cc1cccnc1N[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O ZINC000000947296 570734702 /nfs/dbraw/zinc/73/47/02/570734702.db2.gz WELXVIRRZWBNAN-IBGZPJMESA-N 0 0 386.411 4.754 50 10 GJCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000013573537 570759782 /nfs/dbraw/zinc/75/97/82/570759782.db2.gz LDALRVXDLIHNSO-AQTBWJFISA-N 0 0 396.537 4.533 50 10 GJCARN O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1cccc(Cl)c1 ZINC000334161220 570774186 /nfs/dbraw/zinc/77/41/86/570774186.db2.gz WRFPPDBBQSXEQL-NVNXTCNLSA-N 0 0 378.881 4.750 50 10 GJCARN Cc1cc(C(=O)OCC(=O)c2ccc(Cl)s2)c(C)n1-c1ccc(F)cc1 ZINC000005691534 570812700 /nfs/dbraw/zinc/81/27/00/570812700.db2.gz MXOHMIOKGORGHU-UHFFFAOYSA-N 0 0 391.851 4.988 50 10 GJCARN CN1C(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC1=S ZINC000004672003 570820529 /nfs/dbraw/zinc/82/05/29/570820529.db2.gz MSWXYDVAGKOUQQ-YBEGLDIGSA-N 0 0 375.902 4.750 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)c1 ZINC000102907333 570870916 /nfs/dbraw/zinc/87/09/16/570870916.db2.gz VOEHNIYCICPPPJ-KNQAVFIVSA-N 0 0 391.858 4.991 50 10 GJCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000103807769 570888980 /nfs/dbraw/zinc/88/89/80/570888980.db2.gz SYIGDOUWIRGPEQ-LDADJPATSA-N 0 0 397.862 4.624 50 10 GJCARN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1cccc(Br)c1 ZINC000001244833 570949771 /nfs/dbraw/zinc/94/97/71/570949771.db2.gz ODQZNTJYYVGSOL-RIYZIHGNSA-N 0 0 394.290 4.994 50 10 GJCARN COc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1OC ZINC000001245199 570949781 /nfs/dbraw/zinc/94/97/81/570949781.db2.gz POZVGBTUGLXMHZ-OQLLNIDSSA-N 0 0 391.901 4.763 50 10 GJCARN COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1 ZINC000001250335 570950246 /nfs/dbraw/zinc/95/02/46/570950246.db2.gz KJWJNJDAJJBQKM-CXUHLZMHSA-N 0 0 391.901 4.763 50 10 GJCARN COc1cc(/C=C2/SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1O ZINC000001301491 570956888 /nfs/dbraw/zinc/95/68/88/570956888.db2.gz FCKUOVWGPUFDNJ-YBFXNURJSA-N 0 0 393.489 4.960 50 10 GJCARN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc1OCC ZINC000015931033 210179999 /nfs/dbraw/zinc/17/99/99/210179999.db2.gz PREBWCQBZNZJME-VBKFSLOCSA-N 0 0 384.863 4.944 50 10 GJCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013401392 210061197 /nfs/dbraw/zinc/06/11/97/210061197.db2.gz ZVLRRPQGJPIJSP-XHMMTXDMSA-N 0 0 375.428 4.983 50 10 GJCARN Cc1ccsc1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 ZINC000002782985 209384914 /nfs/dbraw/zinc/38/49/14/209384914.db2.gz GTPIBVKXQNUTEM-UHFFFAOYSA-N 0 0 392.524 4.598 50 10 GJCARN Cc1ccnc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)c1 ZINC000002470366 209366463 /nfs/dbraw/zinc/36/64/63/209366463.db2.gz XFTMHNBUYOONGV-QFIPXVFZSA-N 0 0 384.483 4.911 50 10 GJCARN Cc1cc(C(=O)[C@@H](C)Sc2cccc[n+]2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000002664141 209376290 /nfs/dbraw/zinc/37/62/90/209376290.db2.gz VHWPNWBMMFUPHG-OAHLLOKOSA-N 0 0 386.904 4.744 50 10 GJCARN CCCCOc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1OC ZINC000002306845 209356591 /nfs/dbraw/zinc/35/65/91/209356591.db2.gz IUYQAPPCQWZJHA-XDJHFCHBSA-N 0 0 388.533 4.720 50 10 GJCARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@@H+]2CCC[C@@H](C)C2)c1[O-] ZINC000002277994 209354807 /nfs/dbraw/zinc/35/48/07/209354807.db2.gz HFRVLQCUWFIUKP-CYBMUJFWSA-N 0 0 398.528 4.725 50 10 GJCARN O=C(Nc1nc2ccccc2s1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001770327 209338877 /nfs/dbraw/zinc/33/88/77/209338877.db2.gz PJQATLZBOHVIBG-UHFFFAOYSA-N 0 0 386.432 4.614 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000001307854 209319351 /nfs/dbraw/zinc/31/93/51/209319351.db2.gz OQXVVTYQVLFEEA-WQRHYEAKSA-N 0 0 385.510 4.726 50 10 GJCARN CCOc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001241213 209318207 /nfs/dbraw/zinc/31/82/07/209318207.db2.gz RJQAUEQISGGLSI-WQRHYEAKSA-N 0 0 380.494 4.972 50 10 GJCARN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccccc1Br ZINC000001227336 209316083 /nfs/dbraw/zinc/31/60/83/209316083.db2.gz UAZJWUXGEMKWPG-UVTDQMKNSA-N 0 0 376.300 4.855 50 10 GJCARN Cc1cc(C=C2SC(=S)NC2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000001198376 209312678 /nfs/dbraw/zinc/31/26/78/209312678.db2.gz NUTPCRJEECRYLS-QGOAFFKASA-N 0 0 376.506 4.942 50 10 GJCARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000001165105 209309215 /nfs/dbraw/zinc/30/92/15/209309215.db2.gz ALZJUYNYMOIOMT-FFCYNSPCSA-N 0 0 388.470 4.855 50 10 GJCARN COc1ccc(CN2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 ZINC000001165292 209308942 /nfs/dbraw/zinc/30/89/42/209308942.db2.gz NERVLQJXBHJYMZ-YBEGLDIGSA-N 0 0 375.902 4.750 50 10 GJCARN COc1cc(Br)cc(CNc2ccc(Br)cc2)c1O ZINC000001060501 209294816 /nfs/dbraw/zinc/29/48/16/209294816.db2.gz FHXWJHURCYGBBB-UHFFFAOYSA-N 0 0 387.071 4.538 50 10 GJCARN O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1CCc1ccccc1 ZINC000000975208 209284374 /nfs/dbraw/zinc/28/43/74/209284374.db2.gz MFQAECOQKMZRSV-WJDWOHSUSA-N 0 0 377.893 4.923 50 10 GJCARN C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O ZINC000009420001 209279197 /nfs/dbraw/zinc/27/91/97/209279197.db2.gz UTUIWCBPDQJRKZ-MBNTZHJCSA-N 0 0 381.478 4.505 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000033908997 209183285 /nfs/dbraw/zinc/18/32/85/209183285.db2.gz DWWRMJYLOORMMN-YBEGLDIGSA-N 0 0 390.917 4.619 50 10 GJCARN COc1ccc2c(c1)S[C@H](c1ccccc1OC)CCN2Cc1cc[nH]n1 ZINC000299792082 212038981 /nfs/dbraw/zinc/03/89/81/212038981.db2.gz DMOSFDREPHNBKZ-FQEVSTJZSA-N 0 0 381.501 4.671 50 10 GJCARN O=C1/C(=C/c2ccccn2)SC(=S)N1CCSc1ccc(Cl)cc1 ZINC000096930752 203834750 /nfs/dbraw/zinc/83/47/50/203834750.db2.gz CXRLMEORVIHZQJ-PTNGSMBKSA-N 0 0 392.958 4.729 50 10 GJCARN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000000660202 203847213 /nfs/dbraw/zinc/84/72/13/203847213.db2.gz YDDSTXXGDBNHRQ-YBEGLDIGSA-N 0 0 388.250 4.871 50 10 GJCARN CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000001209494 203896597 /nfs/dbraw/zinc/89/65/97/203896597.db2.gz WYCUPFNZOFINFQ-WQRHYEAKSA-N 0 0 380.494 4.972 50 10 GJCARN Cc1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)c(Br)c1 ZINC000001204162 203896747 /nfs/dbraw/zinc/89/67/47/203896747.db2.gz PIWYWNNNNSAVBO-RIYZIHGNSA-N 0 0 394.315 4.849 50 10 GJCARN COc1cccc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)nc21 ZINC000009419391 203864653 /nfs/dbraw/zinc/86/46/53/203864653.db2.gz ZZGXIANCAAWGMD-LDADJPATSA-N 0 0 392.505 4.645 50 10 GJCARN COc1cc(C=C2SC(Nc3ccc(Cl)cc3Cl)=NC2=O)ccc1O ZINC000002443844 203945113 /nfs/dbraw/zinc/94/51/13/203945113.db2.gz QZJXQQSKLWCBIN-VIZOYTHASA-N 0 0 395.267 4.790 50 10 GJCARN COc1ccc2c3ccc(OCC(=O)c4ccc(C)cc4)c(C)c3oc(=O)c2c1 ZINC000002422204 203944156 /nfs/dbraw/zinc/94/41/56/203944156.db2.gz PVKVGJANZDQEBD-UHFFFAOYSA-N 0 0 388.419 4.833 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004309553 204037696 /nfs/dbraw/zinc/03/76/96/204037696.db2.gz GPVNEYGIFCJEQU-FCEWJHQRSA-N 0 0 381.388 4.728 50 10 GJCARN COc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O ZINC000004728991 204069811 /nfs/dbraw/zinc/06/98/11/204069811.db2.gz KWZAFMIQOCMYHO-SAPNQHFASA-N 0 0 397.478 4.631 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(OC)c1 ZINC000004749355 204073350 /nfs/dbraw/zinc/07/33/50/204073350.db2.gz HZJGSOFWAIFHNG-FHNWIRHTSA-N 0 0 385.510 4.666 50 10 GJCARN Cc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000004682410 204063572 /nfs/dbraw/zinc/06/35/72/204063572.db2.gz BFQUGTKBOCVDNN-RCCKNPSSSA-N 0 0 383.407 4.738 50 10 GJCARN CSc1c(C(=O)Nc2ccc(F)cc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004689416 204064098 /nfs/dbraw/zinc/06/40/98/204064098.db2.gz VAQHGWRTKVMCII-UHFFFAOYSA-N 0 0 391.423 4.575 50 10 GJCARN COc1ccccc1NC[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000005738956 204148248 /nfs/dbraw/zinc/14/82/48/204148248.db2.gz QWZZIUFVZBVLIB-INIZCTEOSA-N 0 0 378.497 4.771 50 10 GJCARN COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000006932677 204225114 /nfs/dbraw/zinc/22/51/14/204225114.db2.gz HRYHDIHPHFYPDI-ZKANADHPSA-N 0 0 378.881 4.669 50 10 GJCARN Cc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1 ZINC000009228824 204303863 /nfs/dbraw/zinc/30/38/63/204303863.db2.gz STBZFOBZKMXVLK-UHFFFAOYSA-N 0 0 397.862 4.798 50 10 GJCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000096602836 205569501 /nfs/dbraw/zinc/56/95/01/205569501.db2.gz ROETVPHTNGFRDL-HMMYKYKNSA-N 0 0 390.462 4.526 50 10 GJCARN CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)SC1=S ZINC000001158128 211502413 /nfs/dbraw/zinc/50/24/13/211502413.db2.gz AJWLUVBMGUHYGR-ZSOIEALJSA-N 0 0 394.861 4.729 50 10 GJCARN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3C[C@H](C)C[C@H](C)C3)c2=O)cc1 ZINC000041583924 211415585 /nfs/dbraw/zinc/41/55/85/211415585.db2.gz IJQSLXSXRKXHES-IYBDPMFKSA-N 0 0 393.483 4.652 50 10 GJCARN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3C[C@@H](C)C[C@H](C)C3)c2=O)cc1 ZINC000041583925 211415109 /nfs/dbraw/zinc/41/51/09/211415109.db2.gz IJQSLXSXRKXHES-HOTGVXAUSA-N 0 0 393.483 4.652 50 10 GJCARN CC(NCc1ccc(Cl)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000100422757 211386225 /nfs/dbraw/zinc/38/62/25/211386225.db2.gz XXPSNIXGJZFJQD-PDGQHHTCSA-N 0 0 396.903 4.736 50 10 GJCARN CC(C)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21 ZINC000000801033 570223975 /nfs/dbraw/zinc/22/39/75/570223975.db2.gz ULMIGBBHDBXDDR-JOCHJYFZSA-N 0 0 378.428 4.705 50 10 GJCARN O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(Br)cc1 ZINC000001043743 570238024 /nfs/dbraw/zinc/23/80/24/570238024.db2.gz FLPMZKDREFIYEU-WQLSENKSSA-N 0 0 382.329 4.916 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(C)C ZINC000001160252 570251586 /nfs/dbraw/zinc/25/15/86/570251586.db2.gz WRDNPUYLLWRWDG-UNOMPAQXSA-N 0 0 399.537 4.884 50 10 GJCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1C ZINC000001181145 570254991 /nfs/dbraw/zinc/25/49/91/570254991.db2.gz LUYKIBGZBVLGES-XDHOZWIPSA-N 0 0 399.537 4.804 50 10 GJCARN C[C@H](COc1ccccc1)COc1ccccc1/C=C1/SC(=S)N(C)C1=O ZINC000001181495 570255539 /nfs/dbraw/zinc/25/55/39/570255539.db2.gz KHELLLLIXXNPNH-IYSPOMMRSA-N 0 0 399.537 4.612 50 10 GJCARN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccccc1 ZINC000002187799 570278160 /nfs/dbraw/zinc/27/81/60/570278160.db2.gz GGDBIMMTGQTCBB-ZROIWOOFSA-N 0 0 376.846 4.654 50 10 GJCARN CC(C)c1ccc(OCCOc2ccccc2C=C2SC(=S)NC2=O)cc1 ZINC000022310337 570312714 /nfs/dbraw/zinc/31/27/14/570312714.db2.gz ONYHHQQCUAZDNP-UYRXBGFRSA-N 0 0 399.537 4.757 50 10 GJCARN Cc1ccc(C)c(OCCCOc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000002882572 570316099 /nfs/dbraw/zinc/31/60/99/570316099.db2.gz RPEUYOATNLGDCJ-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN Cc1cccc(-n2c(/C=C\c3ccc(N(C)C)cc3)nc3ccccc3c2=O)c1 ZINC000033568841 570376615 /nfs/dbraw/zinc/37/66/15/570376615.db2.gz CEUVFMNKHSTPCQ-SSZFMOIBSA-N 0 0 381.479 4.931 50 10 GJCARN O=C(CCSc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000006344555 570394384 /nfs/dbraw/zinc/39/43/84/570394384.db2.gz YXQBIGSPNGGHBC-UHFFFAOYSA-N 0 0 387.460 4.583 50 10 GJCARN CCc1cc2c(-c3ccccc3)cc(=O)oc2c(C[NH+]2CCC(C)CC2)c1[O-] ZINC000005068601 570410224 /nfs/dbraw/zinc/41/02/24/570410224.db2.gz YPOHTWYKEGDXIF-UHFFFAOYSA-N 0 0 377.484 4.960 50 10 GJCARN CN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000005090877 570428611 /nfs/dbraw/zinc/42/86/11/570428611.db2.gz BNLLIRHEOMRTKS-VCHYOVAHSA-N 0 0 382.485 4.660 50 10 GJCARN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S ZINC000005090880 570428662 /nfs/dbraw/zinc/42/86/62/570428662.db2.gz XKXHDDBOUNMRKJ-XDHOZWIPSA-N 0 0 378.522 4.911 50 10 GJCARN CN(C)c1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000028494729 570460588 /nfs/dbraw/zinc/46/05/88/570460588.db2.gz YQGIZTQCQNBDOW-UHFFFAOYSA-N 0 0 396.494 4.635 50 10 GJCARN CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3F)N=C2c2ccccc2)cc1 ZINC000003998750 570539640 /nfs/dbraw/zinc/53/96/40/570539640.db2.gz GKZNSMFFHPRDAS-SILNSSARSA-N 0 0 385.442 4.726 50 10 GJCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCOCC1 ZINC000226722063 570544530 /nfs/dbraw/zinc/54/45/30/570544530.db2.gz CLWRPOOIPCVOTC-XQBPLPMBSA-N 0 0 394.902 4.639 50 10 GJCARN COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000006781024 570589153 /nfs/dbraw/zinc/58/91/53/570589153.db2.gz XTGHYICXXVSJAU-UHFFFAOYSA-N 0 0 382.847 4.578 50 10 GJCARN CCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000006804318 570607994 /nfs/dbraw/zinc/60/79/94/570607994.db2.gz IMYRPHJCCMXCBM-UHFFFAOYSA-N 0 0 378.472 4.587 50 10 GJCARN Cn1cccc1C=C1SC(Nc2ccc(Cl)cc2C(F)(F)F)=NC1=O ZINC000013810908 570698687 /nfs/dbraw/zinc/69/86/87/570698687.db2.gz OWUTXKRYJGVCGD-JYRVWZFOSA-N 0 0 385.798 4.780 50 10 GJCARN O=C1N=C(Nc2cccc(Br)c2)SC1=Cc1ccc(F)cc1 ZINC000006925888 570707830 /nfs/dbraw/zinc/70/78/30/570707830.db2.gz PWWQCVXMMWJKPK-ZSOIEALJSA-N 0 0 377.238 4.671 50 10 GJCARN CN(C)c1ccc(CN(C)C(=O)c2cccnc2Sc2ccccc2)cc1 ZINC000032722619 570768596 /nfs/dbraw/zinc/76/85/96/570768596.db2.gz VPZYGJBTAMFBBI-UHFFFAOYSA-N 0 0 377.513 4.571 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000101350267 570820962 /nfs/dbraw/zinc/82/09/62/570820962.db2.gz DKNGKAITLQFWST-GDNBJRDFSA-N 0 0 382.876 4.977 50 10 GJCARN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000013590155 570853298 /nfs/dbraw/zinc/85/32/98/570853298.db2.gz JOFYGVGLDWMWPK-VGOFMYFVSA-N 0 0 397.399 4.522 50 10 GJCARN CC(C)Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044085789 570862718 /nfs/dbraw/zinc/86/27/18/570862718.db2.gz AALVURZVBQEDAB-UHFFFAOYSA-N 0 0 391.540 4.888 50 10 GJCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccncc1 ZINC000102907275 570870866 /nfs/dbraw/zinc/87/08/66/570870866.db2.gz KMGMZDOWWQGNPC-NQIIRXRSSA-N 0 0 377.831 4.683 50 10 GJCARN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016156281 570915575 /nfs/dbraw/zinc/91/55/75/570915575.db2.gz PHKGXWZNJHZHHP-YBEGLDIGSA-N 0 0 388.901 4.704 50 10 GJCARN COc1cccc(C=C2SC(=S)NC2=O)c1OCc1ccccc1Cl ZINC000017080045 570940926 /nfs/dbraw/zinc/94/09/26/570940926.db2.gz NREQLQQFKAWEDP-DHDCSXOGSA-N 0 0 391.901 4.828 50 10 GJCARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCO2)CO3 ZINC000002120411 570955950 /nfs/dbraw/zinc/95/59/50/570955950.db2.gz BQJUZJRIYAWESU-UHFFFAOYSA-N 0 0 393.439 4.529 50 10 biogenic GJCARN Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(-c3ccccn3)c(N)n2n1 ZINC000001393599 570978658 /nfs/dbraw/zinc/97/86/58/570978658.db2.gz NEAUHOSITQKCEK-UHFFFAOYSA-N 0 0 386.484 4.510 50 10 GJCARN Cc1ccc(SCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000016183097 210187319 /nfs/dbraw/zinc/18/73/19/210187319.db2.gz KRMQZHAPCXKKLZ-ATVHPVEESA-N 0 0 387.551 4.655 50 10 GJCARN Cc1cc(-c2csc(NC(=O)c3cnccn3)n2)c(C)n1-c1ccc(C)cc1 ZINC000015651489 210160163 /nfs/dbraw/zinc/16/01/63/210160163.db2.gz MJUNNIRAQUIKTN-UHFFFAOYSA-N 0 0 389.484 4.568 50 10 GJCARN CCCCSc1nnc2c(n1)OC(C)=Nc1ccc(Br)cc1-2 ZINC000015017049 210144021 /nfs/dbraw/zinc/14/40/21/210144021.db2.gz FFNPIKWZLBLFPE-UHFFFAOYSA-N 0 0 379.283 4.636 50 10 GJCARN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000013119748 210052012 /nfs/dbraw/zinc/05/20/12/210052012.db2.gz NJSWJFJLQVKKQT-LFVJCYFKSA-N 0 0 398.510 4.966 50 10 GJCARN COc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1 ZINC000005670556 209608316 /nfs/dbraw/zinc/60/83/16/209608316.db2.gz MGWNGRYXBOSMML-OQLLNIDSSA-N 0 0 379.865 4.894 50 10 GJCARN O=C(c1ccccc1)c1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000005041589 209561344 /nfs/dbraw/zinc/56/13/44/209561344.db2.gz RMFWIBXAEDTZDU-UHFFFAOYSA-N 0 0 377.425 4.635 50 10 GJCARN CCOc1ccccc1NC=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O ZINC000005021794 209559683 /nfs/dbraw/zinc/55/96/83/209559683.db2.gz VNSAUSPJGMFITB-RVAQLADHSA-N 0 0 384.526 4.960 50 10 GJCARN COc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c1 ZINC000004867773 209535268 /nfs/dbraw/zinc/53/52/68/209535268.db2.gz GASJBOUTBIYQKF-HXUWFJFHSA-N 0 0 380.831 4.825 50 10 GJCARN Cc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O ZINC000004859629 209536198 /nfs/dbraw/zinc/53/61/98/209536198.db2.gz YJFKGWIBBMGMJW-SAPNQHFASA-N 0 0 381.479 4.931 50 10 aggregator GJCARN CN(C)c1ccc(/C=C/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000002980596 209402970 /nfs/dbraw/zinc/40/29/70/209402970.db2.gz BTXVDGJZMQQZSY-CRVGVPJFSA-N 0 0 394.565 4.753 50 10 GJCARN Cc1ccc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)cc1 ZINC000002954728 209402398 /nfs/dbraw/zinc/40/23/98/209402398.db2.gz CQVINTVFCZCNIW-XDHOZWIPSA-N 0 0 394.521 4.518 50 10 GJCARN Cc1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1Cl ZINC000002878897 209393112 /nfs/dbraw/zinc/39/31/12/209393112.db2.gz HNZFQQAJOSKEDI-UHFFFAOYSA-N 0 0 378.815 4.824 50 10 GJCARN CCCCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O ZINC000002812832 209388334 /nfs/dbraw/zinc/38/83/34/209388334.db2.gz PZIGIJXIFUBGOH-FQEVSTJZSA-N 0 0 398.890 4.998 50 10 GJCARN O=C1N=C(Nc2cc(Cl)cc(Cl)c2)SC1=Cc1ccc2c(c1)OCO2 ZINC000001476490 209331025 /nfs/dbraw/zinc/33/10/25/209331025.db2.gz KSPLGHPWPPYLOY-TVPGTPATSA-N 0 0 393.251 4.805 50 10 GJCARN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccs1 ZINC000001078045 209298192 /nfs/dbraw/zinc/29/81/92/209298192.db2.gz JSUJHEZUGFPAOV-GDNBJRDFSA-N 0 0 393.386 4.644 50 10 GJCARN O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(Br)cc1 ZINC000001043742 209292873 /nfs/dbraw/zinc/29/28/73/209292873.db2.gz FLPMZKDREFIYEU-XYOKQWHBSA-N 0 0 382.329 4.916 50 10 GJCARN CC(C)CC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc21 ZINC000000801036 209267169 /nfs/dbraw/zinc/26/71/69/209267169.db2.gz LIURNHRZIXEXIT-QFIPXVFZSA-N 0 0 378.428 4.705 50 10 GJCARN O=C1C(=Cc2ccc(F)cc2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000096935805 209241950 /nfs/dbraw/zinc/24/19/50/209241950.db2.gz FBILODKMINIUQW-NTEUORMPSA-N 0 0 387.486 4.664 50 10 GJCARN CC[NH+](CC)Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21 ZINC000020191867 209235084 /nfs/dbraw/zinc/23/50/84/209235084.db2.gz QNUDGWBYBGYEGA-UHFFFAOYSA-N 0 0 380.469 4.617 50 10 GJCARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)c2=O)cc1 ZINC000020411780 209234929 /nfs/dbraw/zinc/23/49/29/209234929.db2.gz XLIOEUNETUEZEJ-OAHLLOKOSA-N 0 0 393.483 4.715 50 10 biogenic GJCARN COc1ccc2c3ccc(O[C@H](C)C(=O)c4ccccc4)c(C)c3oc(=O)c2c1 ZINC000001183681 209227304 /nfs/dbraw/zinc/22/73/04/209227304.db2.gz XRFSCPCLTGLABK-OAHLLOKOSA-N 0 0 388.419 4.913 50 10 biogenic GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 ZINC000250372437 209218422 /nfs/dbraw/zinc/21/84/22/209218422.db2.gz GAFBLVONAUCAQF-UTKZUKDTSA-N 0 0 378.453 4.705 50 10 GJCARN N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000005102279 212065066 /nfs/dbraw/zinc/06/50/66/212065066.db2.gz DUSXQOGHFLNJPC-JSIBOBQWSA-N 0 0 398.447 4.614 50 10 GJCARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 ZINC000002911876 203973822 /nfs/dbraw/zinc/97/38/22/203973822.db2.gz YVEJUCSVKVSFOV-IBGZPJMESA-N 0 0 393.516 4.610 50 10 GJCARN CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)SC1=S ZINC000003196404 203989773 /nfs/dbraw/zinc/98/97/73/203989773.db2.gz HFEISZVMBWSRGI-BOPFTXTBSA-N 0 0 395.509 4.662 50 10 GJCARN CNc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000003441349 204006710 /nfs/dbraw/zinc/00/67/10/204006710.db2.gz HRNIXHGIVMXJOC-UHFFFAOYSA-N 0 0 396.874 4.829 50 10 GJCARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc(N(C)C)cc2)sc2c1CCCC2 ZINC000003434753 204006823 /nfs/dbraw/zinc/00/68/23/204006823.db2.gz LPHJFPIEPORUOQ-SDNWHVSQSA-N 0 0 398.528 4.522 50 10 GJCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)ccc(Br)c3[C@H]3C=CC[C@H]32)cc1 ZINC000004165729 204030806 /nfs/dbraw/zinc/03/08/06/204030806.db2.gz CMUIDCHCXUFPLC-AHIWAGSCSA-N 0 0 387.233 4.889 50 10 GJCARN COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000004237786 204034724 /nfs/dbraw/zinc/03/47/24/204034724.db2.gz JWFHQRPZEOACAF-UHFFFAOYSA-N 0 0 394.427 4.773 50 10 GJCARN Cc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729267 204069854 /nfs/dbraw/zinc/06/98/54/204069854.db2.gz QCAOPKFFIRDREG-ICSRJNTNSA-N 0 0 387.321 4.969 50 10 GJCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)C[C@H](C)O1 ZINC000004826696 204079310 /nfs/dbraw/zinc/07/93/10/204079310.db2.gz IKCSQSMFDFZPHP-ALVQJFKWSA-N 0 0 394.496 4.558 50 10 GJCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)cc1 ZINC000005201069 204118171 /nfs/dbraw/zinc/11/81/71/204118171.db2.gz VTKMGSYJFSCPMA-FJIJXJHWSA-N 0 0 396.531 4.634 50 10 GJCARN CCOc1ccccc1NC=C1SC(=S)N([C@H](C)c2ccccc2)C1=O ZINC000005021795 204103133 /nfs/dbraw/zinc/10/31/33/204103133.db2.gz VNSAUSPJGMFITB-VVTMIQRTSA-N 0 0 384.526 4.960 50 10 GJCARN Cc1cccc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2O)n1 ZINC000005740603 204150514 /nfs/dbraw/zinc/15/05/14/204150514.db2.gz NGWUXABAUGUHJZ-NRFANRHFSA-N 0 0 385.423 4.574 50 10 GJCARN COc1ccc(NC2=NC(=O)C(=Cc3ccccc3Br)S2)cc1 ZINC000005796139 204151635 /nfs/dbraw/zinc/15/16/35/204151635.db2.gz MGQFUGMDYYEUNX-XNTDXEJSSA-N 0 0 389.274 4.540 50 10 GJCARN O=C1N=C(Nc2ccccc2)SC1=Cc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000006816318 204211758 /nfs/dbraw/zinc/21/17/58/204211758.db2.gz STXOAJHPCYVRNJ-AUWJEWJLSA-N 0 0 394.239 4.984 50 10 GJCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3cccc(F)c3)cc1)CC[C@H](C)C2 ZINC000006878004 204218288 /nfs/dbraw/zinc/21/82/88/204218288.db2.gz HWVOIALRPWLYBX-INIZCTEOSA-N 0 0 376.475 4.980 50 10 GJCARN CCCc1cc(=O)oc2c(C)c([O-])c(C[NH2+]Cc3c(F)cccc3Cl)cc12 ZINC000006661458 204190628 /nfs/dbraw/zinc/19/06/28/204190628.db2.gz GFWKHUDGMDFUMK-UHFFFAOYSA-N 0 0 389.854 4.842 50 10 GJCARN CSCC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cc(C)ccc3O)=NN21 ZINC000006721691 204194702 /nfs/dbraw/zinc/19/47/02/204194702.db2.gz MFSPTLQKOZTHFS-FXAWDEMLSA-N 0 0 388.920 4.977 50 10 GJCARN CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)c1 ZINC000007423409 204240825 /nfs/dbraw/zinc/24/08/25/204240825.db2.gz KQARLHXBCBYSLC-UHFFFAOYSA-N 0 0 399.903 4.674 50 10 GJCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1cccc(F)c1 ZINC000007423397 204241319 /nfs/dbraw/zinc/24/13/19/204241319.db2.gz KJDFCCMKEQEWTC-UHFFFAOYSA-N 0 0 375.856 4.610 50 10 GJCARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCCc2ccccc21 ZINC000007718726 204247888 /nfs/dbraw/zinc/24/78/88/204247888.db2.gz BKNALRYUAPHYDU-UHFFFAOYSA-N 0 0 394.478 4.586 50 10 GJCARN Cc1cccc(Oc2c(=O)c3ccc([O-])c(C[NH+](C)C)c3oc2C(F)(F)F)c1 ZINC000020010830 204697569 /nfs/dbraw/zinc/69/75/69/204697569.db2.gz MNQVMQNTOFNCKX-UHFFFAOYSA-N 0 0 393.361 4.680 50 10 GJCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000031842148 204906222 /nfs/dbraw/zinc/90/62/22/204906222.db2.gz HDTABFLJBCJKMZ-XCGHDDSDSA-N 0 0 398.875 4.875 50 10 GJCARN CCCCCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1OC ZINC000033352581 204962524 /nfs/dbraw/zinc/96/25/24/204962524.db2.gz ADCDFYWQFOWIKA-CYVLTUHYSA-N 0 0 388.533 4.720 50 10 GJCARN O=C1N=C(NC2CCCCC2)SC1=Cc1ccccc1OCc1cccnc1 ZINC000065488310 205236262 /nfs/dbraw/zinc/23/62/62/205236262.db2.gz BIPRJKYHAYHYPC-MOSHPQCFSA-N 0 0 393.512 4.553 50 10 GJCARN O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000005788645 205770162 /nfs/dbraw/zinc/77/01/62/205770162.db2.gz YOYJEAZVWQCGRA-UHFFFAOYSA-N 0 0 379.774 4.507 50 10 GJCARN Cc1ccc(NCN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1C ZINC000097371848 206124966 /nfs/dbraw/zinc/12/49/66/206124966.db2.gz AGLRTKZOOQDEKW-XDHOZWIPSA-N 0 0 397.569 4.640 50 10 GJCARN Cc1cc(C=C2Sc3ccccc3N2C)cc(C)[n+]1CCCCCC(=O)[O-] ZINC000094992605 206112420 /nfs/dbraw/zinc/11/24/20/206112420.db2.gz SYCQWDVNPZFAEV-UHFFFAOYSA-O 0 0 383.537 4.877 50 10 GJCARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000012377627 211681075 /nfs/dbraw/zinc/68/10/75/211681075.db2.gz YEEXQKXSAIXISH-OKILXGFUSA-N 0 0 395.330 4.693 50 10 GJCARN COc1ccc2c(c1)S[C@@H](c1ccccc1OC)CCN2Cc1cc[nH]n1 ZINC000299792092 206191696 /nfs/dbraw/zinc/19/16/96/206191696.db2.gz DMOSFDREPHNBKZ-HXUWFJFHSA-N 0 0 381.501 4.671 50 10 GJCARN CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)=O)cc3)SC2=S)cc1 ZINC000001136528 206212818 /nfs/dbraw/zinc/21/28/18/206212818.db2.gz BYINUGUXHMPESI-PDGQHHTCSA-N 0 0 383.494 4.580 50 10 GJCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000100075059 211382770 /nfs/dbraw/zinc/38/27/70/211382770.db2.gz ZVLRRPQGJPIJSP-LNSWPOPZSA-N 0 0 375.428 4.983 50 10 GJCARN CCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 ZINC000095912907 211282408 /nfs/dbraw/zinc/28/24/08/211282408.db2.gz RMGPQZGEQNZXMS-OAQYLSRUSA-N 0 0 399.450 4.714 50 10 GJCARN O=C(/C=C/c1cn(Cc2ccccc2)nn1)N(Cc1ccccc1)c1ccccc1 ZINC000021598401 210385913 /nfs/dbraw/zinc/38/59/13/210385913.db2.gz RRWVGJIKFGPMQL-WUKNDPDISA-N 0 0 394.478 4.573 50 10 GJCARN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1nnc(Cc2ccccc2)o1 ZINC000058406868 136155369 /nfs/dbraw/zinc/15/53/69/136155369.db2.gz YYESUKCZQLKQRW-UHFFFAOYSA-N 0 0 389.377 4.512 50 10 GJCARN COc1ccc2c(c1)CCCN2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000022200176 136203744 /nfs/dbraw/zinc/20/37/44/136203744.db2.gz XMCSVCKERARMOQ-UHFFFAOYSA-N 0 0 379.287 4.783 50 10 GJCARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OCC)cc2)CO1 ZINC000002113618 535078870 /nfs/dbraw/zinc/07/88/70/535078870.db2.gz WTXSZYYDDNYRNV-UHFFFAOYSA-N 0 0 379.456 4.891 50 10 biogenic GJCARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000000714123 570219744 /nfs/dbraw/zinc/21/97/44/570219744.db2.gz JMDIDHKUZPYSAD-QHCPKHFHSA-N 0 0 387.483 4.922 50 10 GJCARN CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000001445603 570224264 /nfs/dbraw/zinc/22/42/64/570224264.db2.gz QVCBCYPNFBKJNT-SFQUDFHCSA-N 0 0 385.261 4.654 50 10 GJCARN O=C(c1c(-c2ccccc2)oc2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000001215085 570258494 /nfs/dbraw/zinc/25/84/94/570258494.db2.gz LLVULZDXNBPGIC-UHFFFAOYSA-N 0 0 378.383 4.953 50 10 biogenic GJCARN O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000001219786 570258860 /nfs/dbraw/zinc/25/88/60/570258860.db2.gz AQUAPCRSHHONHO-OVCLIPMQSA-N 0 0 379.865 4.547 50 10 GJCARN COc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC ZINC000004139996 570359494 /nfs/dbraw/zinc/35/94/94/570359494.db2.gz KVIWTXYWCVKZLF-NRFANRHFSA-N 0 0 387.439 4.554 50 10 GJCARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)c2cccs2)c1O ZINC000004942465 570377637 /nfs/dbraw/zinc/37/76/37/570377637.db2.gz MVISOTDYWOQHJJ-CQSZACIVSA-N 0 0 384.482 4.515 50 10 GJCARN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccccc1 ZINC000013476470 570397130 /nfs/dbraw/zinc/39/71/30/570397130.db2.gz RMKBTOVVJDDQBO-GXDHUFHOSA-N 0 0 376.300 4.855 50 10 GJCARN Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1C ZINC000006390920 570403571 /nfs/dbraw/zinc/40/35/71/570403571.db2.gz CNRCFTHSVKISMA-JOCHJYFZSA-N 0 0 397.588 4.747 50 10 GJCARN Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000027807775 570443499 /nfs/dbraw/zinc/44/34/99/570443499.db2.gz SAIBMARHYPMVMR-UHFFFAOYSA-N 0 0 388.471 4.639 50 10 GJCARN COc1cccc(COc2ccc3c4ccc(OC)cc4c(=O)oc3c2C)c1 ZINC000000949219 570452425 /nfs/dbraw/zinc/45/24/25/570452425.db2.gz LSSAAQRFNLLVFJ-UHFFFAOYSA-N 0 0 376.408 4.851 50 10 biogenic GJCARN CCN(CC)c1ccc(CN(C(=O)c2ccc(OC)cc2)c2ccccn2)cc1 ZINC000028291138 570456083 /nfs/dbraw/zinc/45/60/83/570456083.db2.gz RRPDRDCJWZFQOH-UHFFFAOYSA-N 0 0 389.499 4.783 50 10 GJCARN CCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 ZINC000006138741 570468661 /nfs/dbraw/zinc/46/86/61/570468661.db2.gz HKCOFFVPKSKJFM-STZFKDTASA-N 0 0 391.471 4.589 50 10 GJCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCOCC1 ZINC000250233958 570544728 /nfs/dbraw/zinc/54/47/28/570544728.db2.gz CLWRPOOIPCVOTC-DXIQSLLYSA-N 0 0 394.902 4.639 50 10 GJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3c(C)cccc3C)C2=N)S1 ZINC000032964099 570547674 /nfs/dbraw/zinc/54/76/74/570547674.db2.gz RNXIWZLABIKXDJ-KBQFJHCTSA-N 0 0 391.500 4.513 50 10 GJCARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc1 ZINC000006721661 570550358 /nfs/dbraw/zinc/55/03/58/570550358.db2.gz RGKMVUUCAADLOY-XUZZJYLKSA-N 0 0 386.451 4.952 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)c1 ZINC000006721776 570550578 /nfs/dbraw/zinc/55/05/78/570550578.db2.gz CCYNBASWDMTMNY-NFBKMPQASA-N 0 0 390.414 4.782 50 10 GJCARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(Br)cc1 ZINC000005442689 570594348 /nfs/dbraw/zinc/59/43/48/570594348.db2.gz IXLYZWBGKKQAQA-GZTJUZNOSA-N 0 0 384.277 4.784 50 10 GJCARN CCCOc1cccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1 ZINC000006804333 570607833 /nfs/dbraw/zinc/60/78/33/570607833.db2.gz BDLZDNQEUVXWEA-UHFFFAOYSA-N 0 0 392.499 4.977 50 10 GJCARN Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(Br)c2C)cc1 ZINC000000947562 570734747 /nfs/dbraw/zinc/73/47/47/570734747.db2.gz ZPVDAIJZXCHODG-UHFFFAOYSA-N 0 0 398.322 4.696 50 10 GJCARN COc1ccc2c(c1)N(C)/C(=C1\SC(=S)N(C3CCCCC3)C1=O)S2 ZINC000013573456 570759553 /nfs/dbraw/zinc/75/95/53/570759553.db2.gz MGSCGPQFMDAVDP-BMRADRMJSA-N 0 0 392.571 4.599 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(c3ccc4ccccc4c3)C2=O)ccc1O ZINC000013688943 570775138 /nfs/dbraw/zinc/77/51/38/570775138.db2.gz FCKUOVWGPUFDNJ-ODLFYWEKSA-N 0 0 393.489 4.960 50 10 GJCARN O=C1N=C(NN=c2[nH]c3ccccc3s2)SC1=Cc1ccc(Cl)cc1 ZINC000098002378 570775807 /nfs/dbraw/zinc/77/58/07/570775807.db2.gz OLXDKKKQAINMCG-NTEUORMPSA-N 0 0 386.889 4.537 50 10 GJCARN CN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000001220789 570821448 /nfs/dbraw/zinc/82/14/48/570821448.db2.gz BNLLIRHEOMRTKS-ZDLGFXPLSA-N 0 0 382.485 4.660 50 10 GJCARN Cc1cc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c(C)n1-c1ccc(F)cc1 ZINC000033217739 570844683 /nfs/dbraw/zinc/84/46/83/570844683.db2.gz YZUMETRDGNWYID-UHFFFAOYSA-N 0 0 395.409 4.509 50 10 GJCARN Cc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1C ZINC000004548866 570859825 /nfs/dbraw/zinc/85/98/25/570859825.db2.gz OMAYJBYYAMQOIS-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2Cc2ccccc2)cc1 ZINC000044086312 570863387 /nfs/dbraw/zinc/86/33/87/570863387.db2.gz IWKJGLBVFGTBRM-UHFFFAOYSA-N 0 0 391.540 4.621 50 10 GJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccccn1 ZINC000102907281 570871001 /nfs/dbraw/zinc/87/10/01/570871001.db2.gz MYCVCSHANFGYPJ-RXVVDRJESA-N 0 0 377.831 4.683 50 10 GJCARN C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O ZINC000016733498 570931681 /nfs/dbraw/zinc/93/16/81/570931681.db2.gz GSOBOJUAHQQZFW-JFENUBAZSA-N 0 0 397.496 4.934 50 10 GJCARN CCN(CC)C(=O)CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S ZINC000005010042 570945426 /nfs/dbraw/zinc/94/54/26/570945426.db2.gz XUJOMWYHNMYMJG-BMRADRMJSA-N 0 0 390.574 4.953 50 10 GJCARN COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000001270379 570951879 /nfs/dbraw/zinc/95/18/79/570951879.db2.gz GGFNVLXOKBHUQT-LJJIPZOBSA-N 0 0 398.462 4.792 50 10 GJCARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCC)cc1)CO3 ZINC000002122812 570956395 /nfs/dbraw/zinc/95/63/95/570956395.db2.gz RHWYCILJTXIBEC-UHFFFAOYSA-N 0 0 379.456 4.809 50 10 biogenic GJCARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000017435108 210210090 /nfs/dbraw/zinc/21/00/90/210210090.db2.gz IPQWVKCFKOWFSG-RTBURBONSA-N 0 0 379.843 4.576 50 10 GJCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(F)c1 ZINC000016399147 210189766 /nfs/dbraw/zinc/18/97/66/210189766.db2.gz NDPZVLIQRGAIPV-ZSOIEALJSA-N 0 0 394.290 4.994 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000013758099 210087530 /nfs/dbraw/zinc/08/75/30/210087530.db2.gz MBGIFCYQLQJEAD-ATVHPVEESA-N 0 0 377.531 4.628 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O ZINC000013660714 210075876 /nfs/dbraw/zinc/07/58/76/210075876.db2.gz OPIZDXCWDFDWKJ-WQRHYEAKSA-N 0 0 385.510 4.814 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000013547625 210066459 /nfs/dbraw/zinc/06/64/59/210066459.db2.gz LLODAVMLOQEJTO-YBEGLDIGSA-N 0 0 391.901 4.763 50 10 GJCARN CCc1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)cc1 ZINC000009228865 209818539 /nfs/dbraw/zinc/81/85/39/209818539.db2.gz WEHXHEMPKXHEDW-UHFFFAOYSA-N 0 0 377.488 4.987 50 10 GJCARN CCOc1cccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1 ZINC000006804332 209690304 /nfs/dbraw/zinc/69/03/04/209690304.db2.gz MHLQSRBREVJPNA-UHFFFAOYSA-N 0 0 378.472 4.587 50 10 GJCARN Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000010215401 209320899 /nfs/dbraw/zinc/32/08/99/209320899.db2.gz AVJQABJNILUNCY-PZJWPPBQSA-N 0 0 377.831 4.683 50 10 GJCARN COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)ccc1O ZINC000010215488 209320537 /nfs/dbraw/zinc/32/05/37/209320537.db2.gz GHOXFWFQDUSHAB-IIBYNOLFSA-N 0 0 378.453 4.705 50 10 GJCARN CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)SC1=S ZINC000001198287 209313847 /nfs/dbraw/zinc/31/38/47/209313847.db2.gz DXKDAFSBCLZXNO-SXGWCWSVSA-N 0 0 393.892 4.889 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000001203070 209313267 /nfs/dbraw/zinc/31/32/67/209313267.db2.gz FKRKXZMATBLYBL-WQRHYEAKSA-N 0 0 385.510 4.726 50 10 GJCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000001137501 209304681 /nfs/dbraw/zinc/30/46/81/209304681.db2.gz CJHLXUSMULAQLN-RGEXLXHISA-N 0 0 385.891 4.903 50 10 GJCARN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001141323 209305255 /nfs/dbraw/zinc/30/52/55/209305255.db2.gz MTQJAGPUYZQOGM-UHFFFAOYSA-N 0 0 390.508 4.659 50 10 GJCARN CCCCOc1ccc(/C=C2/SC(=S)N(CCCC)C2=O)cc1OC ZINC000096921016 209241793 /nfs/dbraw/zinc/24/17/93/209241793.db2.gz SPTMNOHWOZGSIZ-GHRIWEEISA-N 0 0 379.547 4.875 50 10 GJCARN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H](C)C2)c1=O ZINC000020410406 209235739 /nfs/dbraw/zinc/23/57/39/209235739.db2.gz ZSTKORZWCOWYNF-OAHLLOKOSA-N 0 0 393.483 4.715 50 10 biogenic GJCARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[NH+]3CCCCCC3)c2=O)cc1 ZINC000020357623 209235034 /nfs/dbraw/zinc/23/50/34/209235034.db2.gz MOGIXMSMXWDBAX-UHFFFAOYSA-N 0 0 393.483 4.859 50 10 biogenic GJCARN COc1cccc(Oc2c(C)oc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)c1 ZINC000020393963 209233859 /nfs/dbraw/zinc/23/38/59/209233859.db2.gz HWNYPCUJIBONFL-UHFFFAOYSA-N 0 0 395.455 4.594 50 10 biogenic GJCARN CN(C)c1ccc(/C=C2\SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 ZINC000033908984 209182919 /nfs/dbraw/zinc/18/29/19/209182919.db2.gz NXWZQGNUHMLXDW-YVLHZVERSA-N 0 0 387.892 4.512 50 10 GJCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(C)C ZINC000001215527 203898041 /nfs/dbraw/zinc/89/80/41/203898041.db2.gz DHJXDRVMVGQVNG-YVLHZVERSA-N 0 0 384.863 4.942 50 10 GJCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc(F)cc1 ZINC000001159857 203890899 /nfs/dbraw/zinc/89/08/99/203890899.db2.gz SWQKBQWKTORGRP-ZROIWOOFSA-N 0 0 394.290 4.994 50 10 GJCARN Cc1ccc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)c(C)c1 ZINC000002882700 203971256 /nfs/dbraw/zinc/97/12/56/203971256.db2.gz MVISVFYPWJLCKM-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 ZINC000006781028 204204031 /nfs/dbraw/zinc/20/40/31/204204031.db2.gz DBIMOJRQHONLAR-UHFFFAOYSA-N 0 0 390.483 4.931 50 10 GJCARN COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccccc2Cl)c1C ZINC000006781023 204205071 /nfs/dbraw/zinc/20/50/71/204205071.db2.gz LJQCGADHPLDNKJ-UHFFFAOYSA-N 0 0 382.847 4.578 50 10 GJCARN COc1ccc(C2(Nc3ccc(C)c(F)c3)C(=O)c3ccccc3C2=O)cc1 ZINC000006823941 204212646 /nfs/dbraw/zinc/21/26/46/204212646.db2.gz HMGUMOOVICNKEL-UHFFFAOYSA-N 0 0 375.399 4.529 50 10 GJCARN COc1ccccc1CNC(=O)c1ccc(-n2c(C)cc3c2CC[C@H](C)C3)cc1 ZINC000006877960 204218749 /nfs/dbraw/zinc/21/87/49/204218749.db2.gz BJWFONVFGTYOAX-KRWDZBQOSA-N 0 0 388.511 4.849 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cccnc1 ZINC000006721648 204194336 /nfs/dbraw/zinc/19/43/36/204194336.db2.gz JBHKJBUTZBUJDZ-NQIIRXRSSA-N 0 0 377.831 4.683 50 10 GJCARN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc2c1O[C@H](C)C2 ZINC000008917403 204293097 /nfs/dbraw/zinc/29/30/97/204293097.db2.gz FTITUMRZRLXUEW-JPVKTXQWSA-N 0 0 395.549 4.762 50 10 GJCARN CCOc1ccccc1NC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000009228648 204303566 /nfs/dbraw/zinc/30/35/66/204303566.db2.gz OPFYQQNHINKIBT-UHFFFAOYSA-N 0 0 393.487 4.823 50 10 GJCARN O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000015011645 204552991 /nfs/dbraw/zinc/55/29/91/204552991.db2.gz PZGSAAGYVLUUNY-RIYZIHGNSA-N 0 0 381.400 4.817 50 10 GJCARN CN(C)c1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1 ZINC000015011179 204553710 /nfs/dbraw/zinc/55/37/10/204553710.db2.gz PIYMVDWLWICGON-CYVLTUHYSA-N 0 0 382.554 4.587 50 10 GJCARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 ZINC000015673752 204570914 /nfs/dbraw/zinc/57/09/14/204570914.db2.gz BOWIPZJRDYGVLM-UHFFFAOYSA-N 0 0 390.483 4.931 50 10 GJCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=N)S1 ZINC000033332229 211945212 /nfs/dbraw/zinc/94/52/12/211945212.db2.gz ZUJJRWDBMZSNLS-ICZFKYGZSA-N 0 0 398.875 4.875 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)c1 ZINC000102907332 205814165 /nfs/dbraw/zinc/81/41/65/205814165.db2.gz VOEHNIYCICPPPJ-UGKGYDQZSA-N 0 0 391.858 4.991 50 10 GJCARN Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)cc1 ZINC000227485970 206101413 /nfs/dbraw/zinc/10/14/13/206101413.db2.gz RSMMAABWFWTLQW-TZIWHRDSSA-N 0 0 377.831 4.683 50 10 GJCARN COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)ccc1OC(F)F ZINC000096663466 206122228 /nfs/dbraw/zinc/12/22/28/206122228.db2.gz VSAWBTZNKJXCNK-MHWRWJLKSA-N 0 0 390.411 4.687 50 10 GJCARN COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000004151404 211620299 /nfs/dbraw/zinc/62/02/99/211620299.db2.gz XMQNBARUIWVRMS-ZWOKBUDYSA-N 0 0 378.428 4.825 50 10 GJCARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2CC(C)C)no1 ZINC000044085817 211450273 /nfs/dbraw/zinc/45/02/73/211450273.db2.gz IYPWQMRVBSVGNI-UHFFFAOYSA-N 0 0 384.505 4.542 50 10 GJCARN CCOC(/C=C1\Sc2ccccc2N1CC)=C1/SC(=S)N(CC)C1=O ZINC000100557170 211389113 /nfs/dbraw/zinc/38/91/13/211389113.db2.gz MCMYHPZCSUJTHU-NWFDBUFXSA-N 0 0 392.571 4.588 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000020236926 210325162 /nfs/dbraw/zinc/32/51/62/210325162.db2.gz OBTYSESENNPISW-WAJQDEFNSA-N 0 0 394.862 4.506 50 10 GJCARN O=C1c2oc3c(ccc4c3CN(Cc3ccccc3)CO4)c2C(=O)c2ccccc21 ZINC000019863948 210304910 /nfs/dbraw/zinc/30/49/10/210304910.db2.gz MWMQMUHUWRZQAZ-UHFFFAOYSA-N 0 0 395.414 4.560 50 10 biogenic GJCARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000019733262 210291956 /nfs/dbraw/zinc/29/19/56/210291956.db2.gz IPQWVKCFKOWFSG-MOPGFXCFSA-N 0 0 379.843 4.576 50 10 GJCARN Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000102907380 222486843 /nfs/dbraw/zinc/48/68/43/222486843.db2.gz AVJQABJNILUNCY-CTNGQTDRSA-N 0 0 377.831 4.683 50 10 GJCARN COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1O ZINC000019843022 522913616 /nfs/dbraw/zinc/91/36/16/522913616.db2.gz HKVBLSRMZHSZFQ-OAQYLSRUSA-N 0 0 387.439 4.560 50 10 GJCARN Cc1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000239425995 525628082 /nfs/dbraw/zinc/62/80/82/525628082.db2.gz VOUNWWOTGCOYHY-LBUOEMMASA-N 0 0 384.479 5.798 50 10 GJCARN CCCC(=O)N[C@@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O ZINC000000801080 570223880 /nfs/dbraw/zinc/22/38/80/570223880.db2.gz AKOYFLRLPAVVCZ-IBGZPJMESA-N 0 0 384.863 4.608 50 10 GJCARN CCOC(=O)c1c(C)n(-c2ccccc2)c(C)c1/C=C1\C(=O)Nc2ccccc21 ZINC000001032653 570236322 /nfs/dbraw/zinc/23/63/22/570236322.db2.gz UMEDPAPNVRSCJI-ZHZULCJRSA-N 0 0 386.451 4.764 50 10 GJCARN COc1ccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000011619209 570237873 /nfs/dbraw/zinc/23/78/73/570237873.db2.gz YMDMLIBYDQSXOH-UHFFFAOYSA-N 0 0 376.412 4.654 50 10 GJCARN NC1=NC(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)S1 ZINC000006097459 570242761 /nfs/dbraw/zinc/24/27/61/570242761.db2.gz GMONOIDTAJJISS-CHHVJCJISA-N 0 0 379.268 4.501 50 10 GJCARN Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1C ZINC000001131688 570245909 /nfs/dbraw/zinc/24/59/09/570245909.db2.gz SAQVFKHUPWIQSZ-UHFFFAOYSA-N 0 0 375.877 4.925 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCc1ccccc1 ZINC000001177412 570254481 /nfs/dbraw/zinc/25/44/81/570254481.db2.gz LNOIJHDGGCWMDG-UNOMPAQXSA-N 0 0 399.537 4.884 50 10 GJCARN CCN(CC)c1ccc([C@H]2N(c3cccc(Cl)c3)C(=O)[C@@H]3CCCN23)cc1 ZINC000085988235 570264765 /nfs/dbraw/zinc/26/47/65/570264765.db2.gz SWNONHQVNSTFHM-LEWJYISDSA-N 0 0 383.923 4.696 50 10 GJCARN CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002333388 570282903 /nfs/dbraw/zinc/28/29/03/570282903.db2.gz NJSDWGSDGVVFMD-QINSGFPZSA-N 0 0 397.949 4.665 50 10 GJCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 ZINC000101691785 570284537 /nfs/dbraw/zinc/28/45/37/570284537.db2.gz JXOIIPFRFQUXMS-KNKQGSTJSA-N 0 0 389.455 4.657 50 10 GJCARN COc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053362970 570312241 /nfs/dbraw/zinc/31/22/41/570312241.db2.gz XBGZCNYTTMYKJR-GGAORHGYSA-N 0 0 376.431 4.762 50 10 GJCARN COc1ccc(N2C(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000002916555 570318175 /nfs/dbraw/zinc/31/81/75/570318175.db2.gz RTQIALWBDZNZSA-QZRSKMOPSA-N 0 0 396.537 4.723 50 10 GJCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccccc1 ZINC000003040810 570326852 /nfs/dbraw/zinc/32/68/52/570326852.db2.gz FYXSCLZOVIXXMQ-UVTDQMKNSA-N 0 0 376.300 4.855 50 10 GJCARN CC(C)(C)[C@@]12C(=O)C(=O)[C@@]3(C(C)(C)C)[C@@H]([C@@H]1C2(Cl)Cl)C3(Cl)Cl ZINC000004844040 570328914 /nfs/dbraw/zinc/32/89/14/570328914.db2.gz ANVKBIDRBUAYNI-YHIXANTKSA-N 0 0 386.146 4.811 50 10 GJCARN CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(C)cc1 ZINC000004498071 570379283 /nfs/dbraw/zinc/37/92/83/570379283.db2.gz ZYAMGXKXSNYHQK-VWLOTQADSA-N 0 0 398.510 4.989 50 10 GJCARN Oc1ccc(Br)cc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000005024190 570398999 /nfs/dbraw/zinc/39/89/99/570398999.db2.gz GIROBGULPFKKCR-CYBMUJFWSA-N 0 0 386.076 4.900 50 10 GJCARN CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)cc1 ZINC000005128985 570422363 /nfs/dbraw/zinc/42/23/63/570422363.db2.gz JTMLTSHTXXMJDH-QHCPKHFHSA-N 0 0 387.458 4.883 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000001909795 570443359 /nfs/dbraw/zinc/44/33/59/570443359.db2.gz BXIPHNWJDZGAKJ-MHWRWJLKSA-N 0 0 391.901 4.763 50 10 GJCARN Cc1cccc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2O)n1 ZINC000005740606 570454670 /nfs/dbraw/zinc/45/46/70/570454670.db2.gz NGWUXABAUGUHJZ-OAQYLSRUSA-N 0 0 385.423 4.574 50 10 GJCARN Cc1cn2c(/C=C3\SC(Nc4cc(C)ccc4C)=NC3=O)c(C)nc2s1 ZINC000028621302 570462216 /nfs/dbraw/zinc/46/22/16/570462216.db2.gz ALSVAZRWUYZGSV-PXNMLYILSA-N 0 0 382.514 4.712 50 10 GJCARN Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3C[NH+]3CCCC3)c2=O)c1 ZINC000005182782 570496301 /nfs/dbraw/zinc/49/63/01/570496301.db2.gz KDPCEMWCRNFGMP-UHFFFAOYSA-N 0 0 379.456 4.812 50 10 GJCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc([N+](=O)[O-])cc3)c(O)c2n1 ZINC000004755409 570540144 /nfs/dbraw/zinc/54/01/44/570540144.db2.gz RPNDUXSAUMEQGW-FQEVSTJZSA-N 0 0 386.411 4.754 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccc(C)cc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000006721720 570550434 /nfs/dbraw/zinc/55/04/34/570550434.db2.gz AHMKASKYPKWSJM-RDPSFJRHSA-N 0 0 386.451 4.952 50 10 GJCARN Cc1c2ccccc2oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000006747969 570566710 /nfs/dbraw/zinc/56/67/10/570566710.db2.gz MKSFSVQOANECAL-HXUWFJFHSA-N 0 0 392.499 4.629 50 10 GJCARN CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006804346 570607973 /nfs/dbraw/zinc/60/79/73/570607973.db2.gz GRVZZEWTKHHQBG-UHFFFAOYSA-N 0 0 378.472 4.587 50 10 GJCARN CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000005525351 570624986 /nfs/dbraw/zinc/62/49/86/570624986.db2.gz MYIYJLKVQXWUIR-MHWRWJLKSA-N 0 0 375.902 4.750 50 10 GJCARN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000000857539 570663794 /nfs/dbraw/zinc/66/37/94/570663794.db2.gz CJQREPVIILYDMY-UHFFFAOYSA-N 0 0 392.329 4.719 50 10 GJCARN CC(=O)Nc1cc(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)ccc1F ZINC000058050653 570707943 /nfs/dbraw/zinc/70/79/43/570707943.db2.gz AOKQVMGDVSGHKM-UHFFFAOYSA-N 0 0 379.435 4.752 50 10 GJCARN Cc1ccc(N2N=C(c3ccc(N)cc3)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 ZINC000018192810 570808443 /nfs/dbraw/zinc/80/84/43/570808443.db2.gz ZFPBBODNMBSUHG-HMAPJEAMSA-N 0 0 392.462 4.893 50 10 GJCARN COc1cc2c(cc1OC)/C(=C/C(=S)Nc1cccc(Cl)c1C)NCC2 ZINC000101368131 570820076 /nfs/dbraw/zinc/82/00/76/570820076.db2.gz JFOOQRGEOWOPMN-BOPFTXTBSA-N 0 0 388.920 4.592 50 10 GJCARN CCC(=O)N1c2ccc(Cl)cc2[C@@H]2C=CC[C@H]2[C@H]1c1cccc2ccccc21 ZINC000239432922 570830495 /nfs/dbraw/zinc/83/04/95/570830495.db2.gz WXGSZCLVYGKRSJ-DZRGJMJISA-N 0 0 387.910 6.651 50 10 GJCARN CN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S ZINC000016750542 570932718 /nfs/dbraw/zinc/93/27/18/570932718.db2.gz VWTNZIULIOLIHS-YHYXMXQVSA-N 0 0 388.695 4.680 50 10 GJCARN COc1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1Cl ZINC000002120313 570955508 /nfs/dbraw/zinc/95/55/08/570955508.db2.gz CRTMCQMFTHNCTL-UHFFFAOYSA-N 0 0 393.826 4.965 50 10 biogenic GJCARN COC(=O)[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1 ZINC000004747472 570958666 /nfs/dbraw/zinc/95/86/66/570958666.db2.gz UCSJYNIIHDEMJW-HSZRJFAPSA-N 0 0 386.403 4.753 50 10 biogenic GJCARN CN(C)c1ccc(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1F ZINC000083854348 570971162 /nfs/dbraw/zinc/97/11/62/570971162.db2.gz VLNLAWDEOPCDJZ-SFHVURJKSA-N 0 0 375.875 4.592 50 10 GJCARN CCCCN1C(=O)/C(=C/C=C/C=C/N(C(C)=O)c2ccccc2)SC1=S ZINC000252590811 571001081 /nfs/dbraw/zinc/00/10/81/571001081.db2.gz AVGNOKJNQONDNL-HDLWUZTMSA-N 0 0 386.542 4.654 50 10 GJCARN COc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001781789 212255157 /nfs/dbraw/zinc/25/51/57/212255157.db2.gz ISZBXSRPLGLSCA-UHFFFAOYSA-N 0 0 393.826 4.667 50 10 GJCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 ZINC000001236386 212232373 /nfs/dbraw/zinc/23/23/73/212232373.db2.gz IVSSWTLOEAZUQM-AQTBWJFISA-N 0 0 384.526 4.644 50 10 GJCARN CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000001112882 212218016 /nfs/dbraw/zinc/21/80/16/212218016.db2.gz PZQFQBWXPZTULK-SXGWCWSVSA-N 0 0 388.470 4.712 50 10 GJCARN Cc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000001024559 212205573 /nfs/dbraw/zinc/20/55/73/212205573.db2.gz FACIJKIBQRGFDE-UHFFFAOYSA-N 0 0 382.419 4.578 50 10 GJCARN O=C1/C(=C\c2ccc3cccc(Cl)c3n2)SC(=S)N1Cc1ccco1 ZINC000009053061 212162197 /nfs/dbraw/zinc/16/21/97/212162197.db2.gz BUWHTYBSOMVWHH-OQLLNIDSSA-N 0 0 386.885 4.883 50 10 GJCARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)SC1=Cc1cccc([N+](=O)[O-])c1 ZINC000008418433 212147603 /nfs/dbraw/zinc/14/76/03/212147603.db2.gz DHUKZAQXRXULKQ-RIYZIHGNSA-N 0 0 393.346 4.696 50 10 GJCARN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@H]2C)c1=O ZINC000003653125 212145614 /nfs/dbraw/zinc/14/56/14/212145614.db2.gz LEXIIBMSVNOCIL-OAHLLOKOSA-N 0 0 393.483 4.857 50 10 biogenic GJCARN Oc1ccc(Br)cc1C1=NN[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000005024188 206292873 /nfs/dbraw/zinc/29/28/73/206292873.db2.gz GIROBGULPFKKCR-ZDUSSCGKSA-N 0 0 386.076 4.900 50 10 GJCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@@H+]2CCCC[C@@H]2C)c1=O ZINC000019790387 206296737 /nfs/dbraw/zinc/29/67/37/206296737.db2.gz ACICCXCUFOEWRG-HNNXBMFYSA-N 0 0 379.456 4.549 50 10 biogenic GJCARN COc1ccc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1O ZINC000096669491 206302499 /nfs/dbraw/zinc/30/24/99/206302499.db2.gz XIOGVVRYLOSTRP-OVCLIPMQSA-N 0 0 394.374 4.502 50 10 GJCARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1 ZINC000000826367 206325499 /nfs/dbraw/zinc/32/54/99/206325499.db2.gz ODNQVDUUVDWOJT-UHFFFAOYSA-N 0 0 387.439 4.822 50 10 GJCARN CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(C)=O ZINC000001105884 206351940 /nfs/dbraw/zinc/35/19/40/206351940.db2.gz IOWYMLWKMULVQW-MHWRWJLKSA-N 0 0 384.815 4.645 50 10 GJCARN O=C1/C(=C/c2ccco2)SC(=S)N1CNc1cccc(C(F)(F)F)c1 ZINC000001307109 206372257 /nfs/dbraw/zinc/37/22/57/206372257.db2.gz UQCUYRHNTAOKHO-JYRVWZFOSA-N 0 0 384.404 4.569 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)ccc1O ZINC000001137498 206358634 /nfs/dbraw/zinc/35/86/34/206358634.db2.gz WKTYYOFRQOPYIM-RGEXLXHISA-N 0 0 399.537 4.625 50 10 GJCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000001185970 206364894 /nfs/dbraw/zinc/36/48/94/206364894.db2.gz XUHZYWNBOVBDNN-VGOFMYFVSA-N 0 0 382.432 4.602 50 10 GJCARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Sc1ccccc1)C(=O)C2=O ZINC000002391323 206414162 /nfs/dbraw/zinc/41/41/62/206414162.db2.gz WLWZOZUZEZXMHK-PKTZIBPZSA-N 0 0 393.508 4.741 50 10 GJCARN O=[N+]([O-])c1ccc(N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000004257508 206510072 /nfs/dbraw/zinc/51/00/72/206510072.db2.gz HPYCSMRZVJTSRQ-OAQYLSRUSA-N 0 0 377.375 4.795 50 10 GJCARN CCCCCOc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1OC ZINC000004539053 206527693 /nfs/dbraw/zinc/52/76/93/206527693.db2.gz CKAXAYUXNQBENW-NRFANRHFSA-N 0 0 396.487 4.667 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S ZINC000005017649 206583561 /nfs/dbraw/zinc/58/35/61/206583561.db2.gz BBTWWEAYMQBAIJ-RIYZIHGNSA-N 0 0 394.861 4.729 50 10 GJCARN CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000006781038 206675953 /nfs/dbraw/zinc/67/59/53/206675953.db2.gz OHBRYHLAEFNNEP-UHFFFAOYSA-N 0 0 390.483 4.931 50 10 GJCARN O=C1c2ccccc2C(=O)C1(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000007499995 206714412 /nfs/dbraw/zinc/71/44/12/206714412.db2.gz MKOWLOYYLPMOAY-UHFFFAOYSA-N 0 0 397.352 4.972 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccccc1C ZINC000020037209 207174497 /nfs/dbraw/zinc/17/44/97/207174497.db2.gz DQGKQBNYXJSNPN-OTHHCBNDSA-N 0 0 376.485 4.570 50 10 GJCARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000071326719 207936090 /nfs/dbraw/zinc/93/60/90/207936090.db2.gz ALQURKIEDUQKTE-UHFFFAOYSA-N 0 0 398.576 4.726 50 10 GJCARN O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 ZINC000013839785 208786928 /nfs/dbraw/zinc/78/69/28/208786928.db2.gz WCPRGAHOGBHLPT-XNTDXEJSSA-N 0 0 390.327 4.851 50 10 GJCARN CC[C@H](C)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000001165107 220480886 /nfs/dbraw/zinc/48/08/86/220480886.db2.gz ALZJUYNYMOIOMT-OKHBPPCESA-N 0 0 388.470 4.855 50 10 GJCARN CCN(Cc1ccccc1)c1ccc(CNc2nnc(C(F)(F)F)o2)cc1 ZINC000225568207 208959919 /nfs/dbraw/zinc/95/99/19/208959919.db2.gz ULVLZIMBGSBXHM-UHFFFAOYSA-N 0 0 376.382 4.727 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000004309552 220703206 /nfs/dbraw/zinc/70/32/06/220703206.db2.gz GPVNEYGIFCJEQU-FRQCXROJSA-N 0 0 381.388 4.728 50 10 GJCARN COc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@H](C)C4)cc2)cc1 ZINC000006877938 220974128 /nfs/dbraw/zinc/97/41/28/220974128.db2.gz TYTZGJVPQCKVRM-KRWDZBQOSA-N 0 0 388.511 4.849 50 10 GJCARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000010962357 221109160 /nfs/dbraw/zinc/10/91/60/221109160.db2.gz PPJDKVCMQOQBPF-UHFFFAOYSA-N 0 0 387.867 4.511 50 10 GJCARN COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cc(Cl)c1OC ZINC000013041955 221259495 /nfs/dbraw/zinc/25/94/95/221259495.db2.gz OMBVPSYOKCGJBO-YBEGLDIGSA-N 0 0 388.876 4.748 50 10 GJCARN COc1c2cc(F)ccc2sc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000064756493 136157516 /nfs/dbraw/zinc/15/75/16/136157516.db2.gz QDGOGLYTHACCMZ-UHFFFAOYSA-N 0 0 398.503 4.969 50 10 GJCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(C)c1C ZINC000049593124 222000650 /nfs/dbraw/zinc/00/06/50/222000650.db2.gz YZXULXXXHVRLKB-FZOVEGBXSA-N 0 0 390.512 4.878 50 10 GJCARN COc1cccc(-n2c(C)cc(C(=O)Nc3ccccc3-n3ccnc3)c2C)c1 ZINC000095953871 222364544 /nfs/dbraw/zinc/36/45/44/222364544.db2.gz GAQOXAAUTVDCPB-UHFFFAOYSA-N 0 0 386.455 4.541 50 10 GJCARN CC(=O)N1N=C(c2cc(Cl)ccc2O)C[C@@H]1c1ccc(Br)cc1 ZINC000006262347 526685845 /nfs/dbraw/zinc/68/58/45/526685845.db2.gz SSANDLNEFUUDLW-MRXNPFEDSA-N 0 0 393.668 4.506 50 10 GJCARN O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@H]2CC=C[C@@H]42)cc1 ZINC000239358364 527378690 /nfs/dbraw/zinc/37/86/90/527378690.db2.gz NCRCCPRHMJZJEF-BSTKLLGTSA-N 0 0 388.442 5.628 50 10 GJCARN CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000006781037 528739653 /nfs/dbraw/zinc/73/96/53/528739653.db2.gz BXNIGVPTRPQSFY-UHFFFAOYSA-N 0 0 390.483 4.931 50 10 GJCARN COc1ccc(N2CCN(C(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)CC2)cc1 ZINC000004335379 536676979 /nfs/dbraw/zinc/67/69/79/536676979.db2.gz YVBBOFKXDDJRGC-UHFFFAOYSA-N 0 0 396.575 4.731 50 10 GJCARN CC(C)n1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c2ccccc21 ZINC000000680625 570216808 /nfs/dbraw/zinc/21/68/08/570216808.db2.gz DZGBTRZCVPPEMK-UHFFFAOYSA-N 0 0 375.424 4.579 50 10 GJCARN COc1cc2c(cc1NCC(=O)Nc1ccc(C(C)=O)cc1)oc1ccccc12 ZINC000011619257 570237837 /nfs/dbraw/zinc/23/78/37/570237837.db2.gz BCCNBJYEPVQVBI-UHFFFAOYSA-N 0 0 388.423 4.848 50 10 GJCARN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1C[C@@H]1CCCO1 ZINC000002247131 570280489 /nfs/dbraw/zinc/28/04/89/570280489.db2.gz PIOBSHZKAIIUIZ-UZNZLNSGSA-N 0 0 397.521 4.859 50 10 GJCARN CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4cccc(C)c4)N=C3C)sc2c1 ZINC000101346851 570282850 /nfs/dbraw/zinc/28/28/50/570282850.db2.gz ZREMJQKEXRWPSO-ATVHPVEESA-N 0 0 392.484 4.722 50 10 GJCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000002677799 570294899 /nfs/dbraw/zinc/29/48/99/570294899.db2.gz NEMODXIEZKXMLA-SILNSSARSA-N 0 0 396.581 4.977 50 10 GJCARN CCCCN1C(=O)/C(=C/c2ccc(OCCC)c(OCC)c2)SC1=S ZINC000002811660 570304066 /nfs/dbraw/zinc/30/40/66/570304066.db2.gz XIBMVQNYMXVMEQ-LGMDPLHJSA-N 0 0 379.547 4.875 50 10 GJCARN CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2OCc2ccccc2)C(=O)O1 ZINC000002969324 570320804 /nfs/dbraw/zinc/32/08/04/570320804.db2.gz FSIKJCJLQSAESK-UHFFFAOYSA-N 0 0 380.440 4.511 50 10 GJCARN CCCCOC(=O)CCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S ZINC000005010052 570395443 /nfs/dbraw/zinc/39/54/43/570395443.db2.gz ONRADMIJWQRKLI-DTQAZKPQSA-N 0 0 393.530 4.656 50 10 GJCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000005025777 570399573 /nfs/dbraw/zinc/39/95/73/570399573.db2.gz XSCFFLYOZHVJQI-DEDYPNTBSA-N 0 0 387.395 4.969 50 10 GJCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc([N+](=O)[O-])c3)c(O)c2n1 ZINC000004755287 570403345 /nfs/dbraw/zinc/40/33/45/570403345.db2.gz HXCJXMCLDZTEQI-FQEVSTJZSA-N 0 0 386.411 4.754 50 10 GJCARN Cc1cccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)c1 ZINC000004785255 570405629 /nfs/dbraw/zinc/40/56/29/570405629.db2.gz CEUVFMNKHSTPCQ-DTQAZKPQSA-N 0 0 381.479 4.931 50 10 GJCARN CC(C)Oc1cc2c(c([N+](=O)[O-])c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C ZINC000005093392 570415768 /nfs/dbraw/zinc/41/57/68/570415768.db2.gz OFJPEKAZUUKQJQ-JOCHJYFZSA-N 0 0 380.444 4.912 50 10 GJCARN Cc1ccc(C)c(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 ZINC000005102367 570429449 /nfs/dbraw/zinc/42/94/49/570429449.db2.gz OQVSHCMDALHXKS-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)c2C)cc1 ZINC000027881769 570444665 /nfs/dbraw/zinc/44/46/65/570444665.db2.gz TUHXNOHOGKPZDW-RBUKOAKNSA-N 0 0 394.437 4.954 50 10 GJCARN COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1ccc2cccnc2c1O ZINC000000869245 570501855 /nfs/dbraw/zinc/50/18/55/570501855.db2.gz IYNFWIUVRYBAEN-JOCHJYFZSA-N 0 0 390.483 4.735 50 10 GJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C2=N)S1 ZINC000032964096 570547764 /nfs/dbraw/zinc/54/77/64/570547764.db2.gz CVRRYQVBPIPZFY-KBQFJHCTSA-N 0 0 391.500 4.513 50 10 GJCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1cccnc1 ZINC000006721636 570550384 /nfs/dbraw/zinc/55/03/84/570550384.db2.gz MSENSSDQASDNBY-WIYYLYMNSA-N 0 0 377.831 4.683 50 10 GJCARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2)cc1 ZINC000006804314 570607957 /nfs/dbraw/zinc/60/79/57/570607957.db2.gz LECBBXJJKHPJFR-UHFFFAOYSA-N 0 0 398.890 4.607 50 10 GJCARN O=C1N=C(Nc2ccccc2C(F)(F)F)SC1=Cc1ccc2c(c1)OCO2 ZINC000005551741 570632628 /nfs/dbraw/zinc/63/26/28/570632628.db2.gz WERXTZJFCWRRHH-NVNXTCNLSA-N 0 0 392.358 4.517 50 10 GJCARN COc1cccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@@H](C)C4)cc2)c1 ZINC000006877963 570669196 /nfs/dbraw/zinc/66/91/96/570669196.db2.gz QZHPTKYIQBXVON-QGZVFWFLSA-N 0 0 388.511 4.849 50 10 GJCARN CCOCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032594044 570679472 /nfs/dbraw/zinc/67/94/72/570679472.db2.gz JRXZAYNAZXSOKM-SFQUDFHCSA-N 0 0 391.489 4.714 50 10 GJCARN Cc1nc(-c2ccc3ccccc3c2)n(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC000058005048 570706425 /nfs/dbraw/zinc/70/64/25/570706425.db2.gz BXTCXAUSRHHNRQ-UHFFFAOYSA-N 0 0 385.515 4.562 50 10 GJCARN CCN1c2ccccc2S/C1=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000003145646 570733997 /nfs/dbraw/zinc/73/39/97/570733997.db2.gz IYITTYJTEIDKJJ-BMRADRMJSA-N 0 0 376.572 4.981 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000013615443 570762969 /nfs/dbraw/zinc/76/29/69/570762969.db2.gz GPVNEYGIFCJEQU-GPMSIDNRSA-N 0 0 381.388 4.728 50 10 GJCARN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(SC)cc1 ZINC000005824126 570794612 /nfs/dbraw/zinc/79/46/12/570794612.db2.gz SJCIQKCESVTKSJ-WOJGMQOQSA-N 0 0 399.899 4.939 50 10 GJCARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000101346699 570820998 /nfs/dbraw/zinc/82/09/98/570820998.db2.gz NZXKXNWDQAVWLX-WJDWOHSUSA-N 0 0 376.485 4.940 50 10 GJCARN COc1ccc2c(c1)CCCN2C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012528540 570832546 /nfs/dbraw/zinc/83/25/46/570832546.db2.gz FQOGLKMUHOHXMX-JOCHJYFZSA-N 0 0 389.495 4.555 50 10 GJCARN CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC ZINC000004698986 570843232 /nfs/dbraw/zinc/84/32/32/570843232.db2.gz RWCUFXQRYVVJKC-GZTJUZNOSA-N 0 0 384.863 4.944 50 10 GJCARN CCN(CC)c1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000102663033 570855971 /nfs/dbraw/zinc/85/59/71/570855971.db2.gz STMVMXOESDGDOE-GOSISDBHSA-N 0 0 383.521 4.518 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccccc1C)N1N=C(c3ccccc3O)C[C@H]21 ZINC000103562997 570886526 /nfs/dbraw/zinc/88/65/26/570886526.db2.gz BUUHTXJGCMWZBH-YKSBVNFPSA-N 0 0 386.451 4.952 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccc(C)cc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000103562971 570886773 /nfs/dbraw/zinc/88/67/73/570886773.db2.gz AHMKASKYPKWSJM-YKSBVNFPSA-N 0 0 386.451 4.952 50 10 GJCARN COCCNC(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000015684959 570906646 /nfs/dbraw/zinc/90/66/46/570906646.db2.gz SVQFKHHGPSMBGI-UHFFFAOYSA-N 0 0 396.450 4.857 50 10 GJCARN C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O ZINC000051330764 570929333 /nfs/dbraw/zinc/92/93/33/570929333.db2.gz UTUIWCBPDQJRKZ-SJWFJVLYSA-N 0 0 381.478 4.505 50 10 GJCARN Cc1cc(C(=O)NC2(c3noc(C)n3)CCC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000170651533 570989026 /nfs/dbraw/zinc/98/90/26/570989026.db2.gz NDOHVJIIQSYGRU-UHFFFAOYSA-N 0 0 392.503 4.718 50 10 GJCARN CC1=CC2=NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N2O1 ZINC000002210217 571006253 /nfs/dbraw/zinc/00/62/53/571006253.db2.gz HODYZTUTZLPPGC-WJNHLLBISA-N 0 0 385.832 4.535 50 10 GJCARN O=C1/C(=C/c2ccccc2)SC(=S)N1CCCc1nc2ccccc2o1 ZINC000010232964 212239023 /nfs/dbraw/zinc/23/90/23/212239023.db2.gz DEJWGAMQMGZKNC-LGMDPLHJSA-N 0 0 380.494 4.662 50 10 GJCARN Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)cc1 ZINC000010215406 212238703 /nfs/dbraw/zinc/23/87/03/212238703.db2.gz RSMMAABWFWTLQW-FPOVZHCZSA-N 0 0 377.831 4.683 50 10 GJCARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000001194833 212227938 /nfs/dbraw/zinc/22/79/38/212227938.db2.gz IPQWVKCFKOWFSG-OALUTQOASA-N 0 0 379.843 4.576 50 10 GJCARN CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S ZINC000001136306 212221952 /nfs/dbraw/zinc/22/19/52/212221952.db2.gz QQQJIGMZEWLRHI-PDGQHHTCSA-N 0 0 399.537 4.980 50 10 GJCARN O=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(Br)c1 ZINC000001045909 212209860 /nfs/dbraw/zinc/20/98/60/212209860.db2.gz ZGWJLVBFAPBIRR-NTEUORMPSA-N 0 0 376.300 4.855 50 10 GJCARN CC(C)CC(=O)N[C@H](c1ccc2c(c1)OCO2)c1c(O)ccc2ccccc21 ZINC000000801042 212182823 /nfs/dbraw/zinc/18/28/23/212182823.db2.gz ZKBYNAHZSXADQH-HSZRJFAPSA-N 0 0 377.440 4.526 50 10 GJCARN COc1ccc(-c2c(C)c3ccc([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c3oc2=O)cc1 ZINC000004340386 212145992 /nfs/dbraw/zinc/14/59/92/212145992.db2.gz BRLFVADWFABQPW-OAHLLOKOSA-N 0 0 393.483 4.715 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)c1 ZINC000245297244 212134142 /nfs/dbraw/zinc/13/41/42/212134142.db2.gz RRBSJZBOPZMMPK-REWPJTCUSA-N 0 0 390.414 4.782 50 10 GJCARN O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CNc1ccccn1 ZINC000334161158 212108224 /nfs/dbraw/zinc/10/82/24/212108224.db2.gz VEXWMDPRPQVWBP-NTUHNPAUSA-N 0 0 396.324 4.659 50 10 GJCARN COc1cc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)ccc1O ZINC000328597665 212083312 /nfs/dbraw/zinc/08/33/12/212083312.db2.gz IOOZGZQJFDSDLL-AWEZNQCLSA-N 0 0 384.482 4.515 50 10 GJCARN COc1ccc2c3ccc(O[C@@H](C)C(=O)c4ccccc4)c(C)c3oc(=O)c2c1 ZINC000001183680 206290817 /nfs/dbraw/zinc/29/08/17/206290817.db2.gz XRFSCPCLTGLABK-HNNXBMFYSA-N 0 0 388.419 4.913 50 10 biogenic GJCARN COc1ccc(COc2ccc3c4ccc(OC)cc4c(=O)oc3c2C)cc1 ZINC000001183828 206290057 /nfs/dbraw/zinc/29/00/57/206290057.db2.gz QBBFEXCVSFFBAZ-UHFFFAOYSA-N 0 0 376.408 4.851 50 10 biogenic GJCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[NH+]2CCCCCC2)c1=O ZINC000005918967 206293510 /nfs/dbraw/zinc/29/35/10/206293510.db2.gz NVWXICBOEDLFMH-UHFFFAOYSA-N 0 0 379.456 4.550 50 10 biogenic GJCARN COc1cc([O-])c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000011865264 206294222 /nfs/dbraw/zinc/29/42/22/206294222.db2.gz QLPKJMOJXSWDEW-HZPDHXFCSA-N 0 0 393.483 4.652 50 10 biogenic GJCARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)c2=O)cc1 ZINC000020411782 206297258 /nfs/dbraw/zinc/29/72/58/206297258.db2.gz XLIOEUNETUEZEJ-HNNXBMFYSA-N 0 0 393.483 4.715 50 10 biogenic GJCARN COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2)cc1 ZINC000000653936 206312706 /nfs/dbraw/zinc/31/27/06/206312706.db2.gz CEJICYNKZKCWMN-LTGZKZEYSA-N 0 0 384.435 4.538 50 10 GJCARN COc1ccc(NC(=O)c2c3c(sc2NCc2cccnc2)CCC3)cc1 ZINC000000798215 206321959 /nfs/dbraw/zinc/32/19/59/206321959.db2.gz OYFBFKPQXDRZTP-UHFFFAOYSA-N 0 0 379.485 4.505 50 10 GJCARN O=C(CCc1ccccc1)N[C@@H](c1cccs1)c1ccc2cccnc2c1O ZINC000000801029 206322448 /nfs/dbraw/zinc/32/24/48/206322448.db2.gz WFKOFHFTIBUSFS-JOCHJYFZSA-N 0 0 388.492 4.840 50 10 GJCARN CC(C)CC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1c(O)ccc2ccccc21 ZINC000000801041 206322956 /nfs/dbraw/zinc/32/29/56/206322956.db2.gz ZKBYNAHZSXADQH-QHCPKHFHSA-N 0 0 377.440 4.526 50 10 GJCARN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1O ZINC000000974628 206338051 /nfs/dbraw/zinc/33/80/51/206338051.db2.gz JDGBVQNBSVIAIO-NTEUORMPSA-N 0 0 383.922 4.588 50 10 GJCARN Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccn2)cc1 ZINC000010215409 206374831 /nfs/dbraw/zinc/37/48/31/206374831.db2.gz DMMCULBQLJMFAT-FPOVZHCZSA-N 0 0 377.831 4.683 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc1O ZINC000001177673 206364610 /nfs/dbraw/zinc/36/46/10/206364610.db2.gz UUNPQGGUMAMRCZ-XDHOZWIPSA-N 0 0 393.489 4.960 50 10 GJCARN Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000003667791 206493608 /nfs/dbraw/zinc/49/36/08/206493608.db2.gz NPQHGPJAVYKUOS-STZFKDTASA-N 0 0 393.556 4.793 50 10 GJCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(Br)c1 ZINC000016667324 207075993 /nfs/dbraw/zinc/07/59/93/207075993.db2.gz RVSHNUDYYIKAQB-ZSOIEALJSA-N 0 0 392.299 4.561 50 10 GJCARN O=C1N=C(Nc2cccc(Cl)c2Cl)SC1=Cc1cccc([N+](=O)[O-])c1 ZINC000016755480 207077241 /nfs/dbraw/zinc/07/72/41/207077241.db2.gz RIYOHMVPMMRTBD-JYRVWZFOSA-N 0 0 394.239 4.984 50 10 GJCARN CCCn1cc(C=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000017249110 207087927 /nfs/dbraw/zinc/08/79/27/207087927.db2.gz AFBGJTPRQPNCEH-QGOAFFKASA-N 0 0 395.528 4.851 50 10 GJCARN C[N@H+](CCc1ccccc1)Cc1cc(Br)cc(Br)c1[O-] ZINC000019632884 207143702 /nfs/dbraw/zinc/14/37/02/207143702.db2.gz XWYFVCGRTPSVBR-UHFFFAOYSA-N 0 0 399.126 4.592 50 10 GJCARN CCOC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1 ZINC000027644749 207328137 /nfs/dbraw/zinc/32/81/37/207328137.db2.gz FAXDYHYYJZFJIL-OAQYLSRUSA-N 0 0 399.450 4.714 50 10 GJCARN CC(=O)N1CCc2cc(NC(=O)/C=C\c3cc(C)n(-c4ccccc4)c3C)ccc21 ZINC000096860932 208324635 /nfs/dbraw/zinc/32/46/35/208324635.db2.gz QAAXCMUXOGVYEQ-XFXZXTDPSA-N 0 0 399.494 4.655 50 10 GJCARN Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1-c1ccccc1F ZINC000003299990 220623021 /nfs/dbraw/zinc/62/30/21/220623021.db2.gz HTLGWPOKUKVWPB-UHFFFAOYSA-N 0 0 391.398 4.601 50 10 GJCARN CCOC(=O)CCCCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S ZINC000005214728 220844586 /nfs/dbraw/zinc/84/45/86/220844586.db2.gz QAIJYRAQPZLCHN-DTQAZKPQSA-N 0 0 393.530 4.656 50 10 GJCARN COc1cc(/C=C2/C=C(c3ccc(C(C)C)cc3)OC2=O)cc(OC)c1OC ZINC000005413601 220867636 /nfs/dbraw/zinc/86/76/36/220867636.db2.gz ORJJXBZUTTZJGB-ZDLGFXPLSA-N 0 0 380.440 4.817 50 10 GJCARN Cc1cc(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 ZINC000006098053 220921055 /nfs/dbraw/zinc/92/10/55/220921055.db2.gz TYORIUZTZYXBRF-KRWDZBQOSA-N 0 0 394.544 4.776 50 10 GJCARN COc1ccc(OC)c(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)c1 ZINC000008277355 221034014 /nfs/dbraw/zinc/03/40/14/221034014.db2.gz JOIXXOSDLBQECH-YVLHZVERSA-N 0 0 388.876 4.748 50 10 GJCARN Cc1cc(CNC(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228613 221074790 /nfs/dbraw/zinc/07/47/90/221074790.db2.gz YWZSHLKHDHIMEV-UHFFFAOYSA-N 0 0 381.907 4.789 50 10 GJCARN CN(C)c1ccc(CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000012554236 221205676 /nfs/dbraw/zinc/20/56/76/221205676.db2.gz FVYMMFHZUODDPY-XMMPIXPASA-N 0 0 383.495 4.948 50 10 GJCARN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000012655210 221218047 /nfs/dbraw/zinc/21/80/47/221218047.db2.gz ZXSNNTCOHHBVFN-UHFFFAOYSA-N 0 0 398.842 4.673 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)c1 ZINC000013689651 221281247 /nfs/dbraw/zinc/28/12/47/221281247.db2.gz OJGYVOLJPQFVCH-YBEGLDIGSA-N 0 0 391.901 4.763 50 10 GJCARN COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000013942799 221293155 /nfs/dbraw/zinc/29/31/55/221293155.db2.gz WGLQHMMPQFKXDR-DHDCSXOGSA-N 0 0 389.885 4.532 50 10 GJCARN Cc1cc([C@@H]2CCCN2C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)no1 ZINC000029243951 221692381 /nfs/dbraw/zinc/69/23/81/221692381.db2.gz PASIFYFMSCBOFG-LEQVUBRHSA-N 0 0 375.472 4.767 50 10 GJCARN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1F ZINC000060588618 222059071 /nfs/dbraw/zinc/05/90/71/222059071.db2.gz VLNLAWDEOPCDJZ-GOSISDBHSA-N 0 0 375.875 4.592 50 10 GJCARN CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)sc1C ZINC000069436351 222173122 /nfs/dbraw/zinc/17/31/22/222173122.db2.gz YPIANGUBQXKUPF-FQEVSTJZSA-N 0 0 386.561 4.506 50 10 GJCARN CCOC1=NN(c2ccccc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000100249916 222458812 /nfs/dbraw/zinc/45/88/12/222458812.db2.gz OXUZIAJTQOUJGU-WJDWOHSUSA-N 0 0 376.243 4.686 50 10 GJCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21 ZINC000019790386 570218919 /nfs/dbraw/zinc/21/89/19/570218919.db2.gz OPXBESCOSXERIC-INIZCTEOSA-N 0 0 393.483 4.939 50 10 GJCARN COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000970611 570232219 /nfs/dbraw/zinc/23/22/19/570232219.db2.gz WGLQHMMPQFKXDR-OQLLNIDSSA-N 0 0 389.885 4.532 50 10 GJCARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000001160640 570251771 /nfs/dbraw/zinc/25/17/71/570251771.db2.gz IZKBVNKQLVWSLC-WJDWOHSUSA-N 0 0 388.250 4.871 50 10 GJCARN O=C(CC[C@@H]1CCCO1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048678324 570253643 /nfs/dbraw/zinc/25/36/43/570253643.db2.gz YQAGEZAMFZVSAE-YADARESESA-N 0 0 375.468 4.710 50 10 GJCARN Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c([O-])c1C[NH+]1CCCCC1 ZINC000020403906 570254428 /nfs/dbraw/zinc/25/44/28/570254428.db2.gz LAPDGWRYHWOVHK-UHFFFAOYSA-N 0 0 377.484 4.692 50 10 GJCARN Cc1ccc2nc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)ccc2c1 ZINC000012289315 570284333 /nfs/dbraw/zinc/28/43/33/570284333.db2.gz QFZLAIYFKYMYRZ-UNOMPAQXSA-N 0 0 376.506 4.945 50 10 GJCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)C[C@@H](C)O1 ZINC000004826701 570295296 /nfs/dbraw/zinc/29/52/96/570295296.db2.gz IKCSQSMFDFZPHP-XLOQWRIGSA-N 0 0 394.496 4.558 50 10 GJCARN CCCCOC(=O)c1c2cc3ccccc3cn2c2c1C(=O)c1ccccc1C2=O ZINC000003635765 570349336 /nfs/dbraw/zinc/34/93/36/570349336.db2.gz AEMAUWYCZXBHLT-UHFFFAOYSA-N 0 0 397.430 4.825 50 10 GJCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1cccc2[nH]ccc21 ZINC000604406189 570358123 /nfs/dbraw/zinc/35/81/23/570358123.db2.gz YBMLMBGJSHEIDY-UHFFFAOYSA-N 0 0 376.415 4.743 50 10 biogenic GJCARN CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(C)cc1 ZINC000004498092 570379304 /nfs/dbraw/zinc/37/93/04/570379304.db2.gz ZYAMGXKXSNYHQK-RUZDIDTESA-N 0 0 398.510 4.989 50 10 GJCARN COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c(OC)c1 ZINC000004544896 570383317 /nfs/dbraw/zinc/38/33/17/570383317.db2.gz HPIIMDHBKWVJQS-RCCKNPSSSA-N 0 0 384.435 4.538 50 10 GJCARN N=C1/C(=C\c2cccs2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000004648751 570389359 /nfs/dbraw/zinc/38/93/59/570389359.db2.gz YBRWLTMNYINFHA-QYWZJITKSA-N 0 0 396.541 4.584 50 10 GJCARN COc1ccc(O)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 ZINC000004660167 570390380 /nfs/dbraw/zinc/39/03/80/570390380.db2.gz RBUBSYQAYDNEIB-UWJYYQICSA-N 0 0 378.453 4.705 50 10 GJCARN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004881506 570415072 /nfs/dbraw/zinc/41/50/72/570415072.db2.gz FAYALEOOHOCRDV-DXIQSLLYSA-N 0 0 391.471 4.903 50 10 GJCARN CCN(C)c1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc1 ZINC000005127814 570421967 /nfs/dbraw/zinc/42/19/67/570421967.db2.gz MBQSUOSLLCXPFV-XDHOZWIPSA-N 0 0 398.304 4.711 50 10 GJCARN COC(=O)c1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000005101943 570429127 /nfs/dbraw/zinc/42/91/27/570429127.db2.gz HTEJFRYLADFIPX-OAQYLSRUSA-N 0 0 399.450 4.632 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000005546876 570445170 /nfs/dbraw/zinc/44/51/70/570445170.db2.gz MMEQMSHKZDBXPM-WQRHYEAKSA-N 0 0 385.510 4.726 50 10 GJCARN CN(C1=NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1)c1ccc(O)cc1 ZINC000006606223 570497417 /nfs/dbraw/zinc/49/74/17/570497417.db2.gz TWUVRAZKHLCVTB-ZROIWOOFSA-N 0 0 379.268 4.806 50 10 GJCARN CCC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000000869284 570501798 /nfs/dbraw/zinc/50/17/98/570501798.db2.gz QOAKBXJYFIBKGC-KRWDZBQOSA-N 0 0 375.255 4.863 50 10 GJCARN O=C1N=C(c2ccccc2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000022342635 570538637 /nfs/dbraw/zinc/53/86/37/570538637.db2.gz ZUMQZPPGEDRZLC-LDADJPATSA-N 0 0 376.393 4.916 50 10 GJCARN O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCCC1 ZINC000004132260 570540079 /nfs/dbraw/zinc/54/00/79/570540079.db2.gz WLAHXIMORDOAIS-BBTUJRGHSA-N 0 0 389.455 4.657 50 10 GJCARN O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009109884 570549556 /nfs/dbraw/zinc/54/95/56/570549556.db2.gz KCARIPIYMVAJGW-MHWRWJLKSA-N 0 0 397.912 4.682 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)c1 ZINC000006721696 570550219 /nfs/dbraw/zinc/55/02/19/570550219.db2.gz VOEHNIYCICPPPJ-DENIHFKCSA-N 0 0 391.858 4.991 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)c1 ZINC000006721773 570550245 /nfs/dbraw/zinc/55/02/45/570550245.db2.gz CYCMHRYHOVHLML-XUZZJYLKSA-N 0 0 386.451 4.952 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)c1 ZINC000006721769 570550419 /nfs/dbraw/zinc/55/04/19/570550419.db2.gz RRBSJZBOPZMMPK-NZQKXSOJSA-N 0 0 390.414 4.782 50 10 GJCARN COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721815 570550832 /nfs/dbraw/zinc/55/08/32/570550832.db2.gz DIFXVNPYNFOGAX-IIBYNOLFSA-N 0 0 378.453 4.705 50 10 GJCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(C)c(C)c1 ZINC000004596795 570627993 /nfs/dbraw/zinc/62/79/93/570627993.db2.gz NTVWBHOZKSWGGI-WOJGMQOQSA-N 0 0 384.277 4.784 50 10 GJCARN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1cccc(N2CCCC2=O)c1C ZINC000064996518 570638829 /nfs/dbraw/zinc/63/88/29/570638829.db2.gz WFQNSKMQAUACPK-UHFFFAOYSA-N 0 0 393.512 4.843 50 10 GJCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C\c3c(C)[nH]c4ccc(C)cc34)C2=N)S1 ZINC000005573179 570658551 /nfs/dbraw/zinc/65/85/51/570658551.db2.gz IBRULUQPNTYWLM-OXMFYWCOSA-N 0 0 393.516 4.840 50 10 GJCARN COc1ccc(NC2=NC(=O)C(=Cc3c(OC)ccc4ccccc43)S2)cc1 ZINC000005796122 570691260 /nfs/dbraw/zinc/69/12/60/570691260.db2.gz XRGHPRUJGOVJJP-DEDYPNTBSA-N 0 0 390.464 4.939 50 10 GJCARN Cc1cc(C(=O)[C@H](C)Sc2nnc(C)n2C2CC2)c(C)n1-c1ccccc1 ZINC000006993369 570732013 /nfs/dbraw/zinc/73/20/13/570732013.db2.gz ZNONNJPTONPFHP-HNNXBMFYSA-N 0 0 380.517 4.692 50 10 GJCARN C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(c2cccc(O)c2)C1=O ZINC000013691028 570775804 /nfs/dbraw/zinc/77/58/04/570775804.db2.gz BCJDOPHFHFKIPO-SGEFVQMOSA-N 0 0 381.478 4.505 50 10 GJCARN CCCCCCc1cc([C@@H]2C(c3ccccc3)=NN=C(C)N2O)c(O)cc1O ZINC000005951304 570808195 /nfs/dbraw/zinc/80/81/95/570808195.db2.gz XNPHCAKKRIGPMY-JOCHJYFZSA-N 0 0 381.476 4.789 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNNc1cccc2ccccc21 ZINC000101112532 570814127 /nfs/dbraw/zinc/81/41/27/570814127.db2.gz PEYWEOMBTUJZIK-CPNJWEJPSA-N 0 0 376.847 4.716 50 10 GJCARN Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000101114289 570814603 /nfs/dbraw/zinc/81/46/03/570814603.db2.gz KHDNZOQBUAMUSH-GXDHUFHOSA-N 0 0 390.668 4.821 50 10 GJCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000101346773 570820938 /nfs/dbraw/zinc/82/09/38/570820938.db2.gz RMISNBCFZBRGEM-ZROIWOOFSA-N 0 0 386.839 4.807 50 10 GJCARN Cc1cc(C(=O)Nc2ccc(Br)cc2C)c(C)n1-c1ccccn1 ZINC000032809663 570831911 /nfs/dbraw/zinc/83/19/11/570831911.db2.gz JKPQFDUQSRLCMM-UHFFFAOYSA-N 0 0 384.277 4.812 50 10 GJCARN CCN(CC)c1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)cc1 ZINC000102663034 570855942 /nfs/dbraw/zinc/85/59/42/570855942.db2.gz STMVMXOESDGDOE-SFHVURJKSA-N 0 0 383.521 4.518 50 10 GJCARN CCN1C(=O)/C(=C/C=C2/Sc3ccc4ccccc4c3N2C)SC1=S ZINC000003466059 570870649 /nfs/dbraw/zinc/87/06/49/570870649.db2.gz MIFRCKDRWGNRHG-MBKDJOQRSA-N 0 0 384.551 4.987 50 10 GJCARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c1O ZINC000170615253 570873896 /nfs/dbraw/zinc/87/38/96/570873896.db2.gz HNHMAIZEQRAYLJ-CQSZACIVSA-N 0 0 384.482 4.515 50 10 GJCARN CCC(CC)c1cc(C(=O)N(CC)Cc2cc(Br)ccc2O)on1 ZINC000072304694 570879159 /nfs/dbraw/zinc/87/91/59/570879159.db2.gz ZOXKZJGSWGYJIB-UHFFFAOYSA-N 0 0 395.297 4.709 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000015163122 570882981 /nfs/dbraw/zinc/88/29/81/570882981.db2.gz UKWAVKMZMYXVGS-STZFKDTASA-N 0 0 391.467 4.579 50 10 GJCARN Cc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729268 570884255 /nfs/dbraw/zinc/88/42/55/570884255.db2.gz QCAOPKFFIRDREG-AZUAARDMSA-N 0 0 387.321 4.969 50 10 GJCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000003864200 570885018 /nfs/dbraw/zinc/88/50/18/570885018.db2.gz GXWXGSADKOQDDW-GPBTZJJPSA-N 0 0 384.848 4.629 50 10 GJCARN COc1ccccc1NC[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000005738964 570916032 /nfs/dbraw/zinc/91/60/32/570916032.db2.gz QWZZIUFVZBVLIB-MRXNPFEDSA-N 0 0 378.497 4.771 50 10 GJCARN COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000004032093 570917975 /nfs/dbraw/zinc/91/79/75/570917975.db2.gz OXDKOCZWGPUIBH-HKWRFOASSA-N 0 0 384.435 4.538 50 10 GJCARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)cc1)CO3 ZINC000002121176 570956014 /nfs/dbraw/zinc/95/60/14/570956014.db2.gz IRKKYUSJTMRVBF-UHFFFAOYSA-N 0 0 379.456 4.809 50 10 biogenic GJCARN CC1CCN(S(=O)(=O)c2ccc(NN=C3C=C(Cl)C=CC3=O)cc2)CC1 ZINC000252462071 570960800 /nfs/dbraw/zinc/96/08/00/570960800.db2.gz PNKYGHMDGSTGLA-UHFFFAOYSA-N 0 0 393.896 4.882 50 10 GJCARN Cc1cc(C(=O)CSc2nc(C)c(C)c(C)n2)c(C)n1-c1ccc(F)cc1 ZINC000012694881 570963451 /nfs/dbraw/zinc/96/34/51/570963451.db2.gz DEOAUWHVNJSNLA-UHFFFAOYSA-N 0 0 383.492 4.924 50 10 GJCARN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000001415969 212243682 /nfs/dbraw/zinc/24/36/82/212243682.db2.gz MNSFVAVUFAMPPZ-RIYZIHGNSA-N 0 0 376.846 4.654 50 10 GJCARN COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000001184590 212227326 /nfs/dbraw/zinc/22/73/26/212227326.db2.gz LLODAVMLOQEJTO-MHWRWJLKSA-N 0 0 391.901 4.763 50 10 GJCARN O=C1N=C(NC2CCCC2)SC1=Cc1ccccc1OCc1ccccc1 ZINC000020987512 212151373 /nfs/dbraw/zinc/15/13/73/212151373.db2.gz JVKSBXLYUPYGNQ-ZHZULCJRSA-N 0 0 378.497 4.768 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000033395114 212111425 /nfs/dbraw/zinc/11/14/25/212111425.db2.gz RTQIALWBDZNZSA-SDQPKSGYSA-N 0 0 396.537 4.723 50 10 GJCARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)C2=N)S1 ZINC000032640983 206256908 /nfs/dbraw/zinc/25/69/08/206256908.db2.gz RDMFHVRORGOLDM-FVLYSNIGSA-N 0 0 378.457 4.756 50 10 GJCARN COc1ccc(-c2c(C)oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)c2=O)cc1 ZINC000020411866 206296968 /nfs/dbraw/zinc/29/69/68/206296968.db2.gz KPPSROAKKZWYBU-UHFFFAOYSA-N 0 0 393.483 4.715 50 10 biogenic GJCARN COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21 ZINC000010215986 206374131 /nfs/dbraw/zinc/37/41/31/206374131.db2.gz NMKZSRFCGHBDPK-IIBYNOLFSA-N 0 0 396.830 4.890 50 10 GJCARN COc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000001416601 206379599 /nfs/dbraw/zinc/37/95/99/206379599.db2.gz VKLWBNVHBZUKOB-OVCLIPMQSA-N 0 0 379.865 4.894 50 10 GJCARN Fc1cc(F)c(F)c(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1F ZINC000001423379 206380315 /nfs/dbraw/zinc/38/03/15/206380315.db2.gz KHCPCZAJGALSBH-UHFFFAOYSA-N 0 0 389.308 4.663 50 10 GJCARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000002072238 206396930 /nfs/dbraw/zinc/39/69/30/206396930.db2.gz XLTPDMNUFDKRFX-HKWRFOASSA-N 0 0 378.497 4.722 50 10 GJCARN Cc1cc(C)cc(OCCCOc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000002874196 206443748 /nfs/dbraw/zinc/44/37/48/206443748.db2.gz PPACVSIMSGKOBC-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2Cl)cc1 ZINC000006804319 206678661 /nfs/dbraw/zinc/67/86/61/206678661.db2.gz WIQLGDKYAWBKPH-UHFFFAOYSA-N 0 0 398.890 4.607 50 10 GJCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(F)cc1F ZINC000007423392 206712984 /nfs/dbraw/zinc/71/29/84/206712984.db2.gz JKQPDRSMHDNCHD-UHFFFAOYSA-N 0 0 393.846 4.750 50 10 GJCARN Cc1cc(C(=O)CNC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000012523211 206906549 /nfs/dbraw/zinc/90/65/49/206906549.db2.gz DVXHAIYFOJXQIB-UHFFFAOYSA-N 0 0 399.853 4.891 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000013688787 206990993 /nfs/dbraw/zinc/99/09/93/206990993.db2.gz JCTCIQPJFRWBGH-YBEGLDIGSA-N 0 0 391.901 4.850 50 10 GJCARN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000015591172 207053335 /nfs/dbraw/zinc/05/33/35/207053335.db2.gz IQMBWZRTAWUVLS-UHFFFAOYSA-N 0 0 393.918 4.710 50 10 GJCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[NH+]2[C@H](C)CCC[C@H]2C)c1=O ZINC000019790390 207161689 /nfs/dbraw/zinc/16/16/89/207161689.db2.gz HITBXRASXIBMQP-HZPDHXFCSA-N 0 0 393.483 4.937 50 10 biogenic GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000022130514 207248673 /nfs/dbraw/zinc/24/86/73/207248673.db2.gz ALKAOSRHDZBEDT-STZFKDTASA-N 0 0 391.467 4.579 50 10 GJCARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc2ccccc2o1 ZINC000023291351 207271838 /nfs/dbraw/zinc/27/18/38/207271838.db2.gz FYBIJOXYVZSTLA-UHFFFAOYSA-N 0 0 393.468 4.775 50 10 GJCARN CCN(CC)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 ZINC000028292166 207339639 /nfs/dbraw/zinc/33/96/39/207339639.db2.gz ITUIQFICZSTJKC-UHFFFAOYSA-N 0 0 377.463 4.914 50 10 GJCARN Cc1ccccc1NC1=NC(=O)C(=Cc2csc(-c3ccccn3)n2)S1 ZINC000097147297 208340927 /nfs/dbraw/zinc/34/09/27/208340927.db2.gz CEYAZXJYYNNPAZ-YBEGLDIGSA-N 0 0 378.482 4.596 50 10 GJCARN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1Cl ZINC000002212585 220510887 /nfs/dbraw/zinc/51/08/87/220510887.db2.gz KNNQSJBEQNPPEZ-UHFFFAOYSA-N 0 0 398.842 4.673 50 10 GJCARN COc1cccc(CNC(=O)NCc2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000009228822 221074337 /nfs/dbraw/zinc/07/43/37/221074337.db2.gz NUHRTDFZGFUJID-UHFFFAOYSA-N 0 0 397.906 4.756 50 10 GJCARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)Nc1ccc(Cl)cc1 ZINC000016183677 221358778 /nfs/dbraw/zinc/35/87/78/221358778.db2.gz FJMSMYDZNNDVCQ-UHFFFAOYSA-N 0 0 390.774 4.581 50 10 GJCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000020897069 221517845 /nfs/dbraw/zinc/51/78/45/221517845.db2.gz WUJZHQNWSQMWNH-UHFFFAOYSA-N 0 0 394.452 4.618 50 10 GJCARN CNC(=S)Nc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1 ZINC000072317724 136168219 /nfs/dbraw/zinc/16/82/19/136168219.db2.gz IEFRKIYTMPORCY-UHFFFAOYSA-N 0 0 391.496 4.926 50 10 GJCARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(OC)ccc2O)cc1 ZINC000000669321 136192873 /nfs/dbraw/zinc/19/28/73/136192873.db2.gz NNJXSMLNMJSNFA-QFIPXVFZSA-N 0 0 390.439 4.571 50 10 GJCARN CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(OC)ccc2O)cc1 ZINC000000669322 136192980 /nfs/dbraw/zinc/19/29/80/136192980.db2.gz NNJXSMLNMJSNFA-JOCHJYFZSA-N 0 0 390.439 4.571 50 10 GJCARN COc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053362972 222009488 /nfs/dbraw/zinc/00/94/88/222009488.db2.gz XBGZCNYTTMYKJR-GMAHTHKFSA-N 0 0 376.431 4.762 50 10 GJCARN COc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053362968 222009654 /nfs/dbraw/zinc/00/96/54/222009654.db2.gz XBGZCNYTTMYKJR-JTHBVZDNSA-N 0 0 376.431 4.762 50 10 GJCARN COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053364809 222010014 /nfs/dbraw/zinc/01/00/14/222010014.db2.gz DGVHFEQHLWQJBM-GMAHTHKFSA-N 0 0 376.431 4.762 50 10 GJCARN O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1CCc1ccccc1 ZINC000019800044 570220199 /nfs/dbraw/zinc/22/01/99/570220199.db2.gz MFQAECOQKMZRSV-LFIBNONCSA-N 0 0 377.893 4.923 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1 ZINC000002307797 570281991 /nfs/dbraw/zinc/28/19/91/570281991.db2.gz ILDPPGZFHQGHCE-WQRHYEAKSA-N 0 0 385.510 4.726 50 10 GJCARN Cc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O ZINC000002874237 570314555 /nfs/dbraw/zinc/31/45/55/570314555.db2.gz BEBYNHCWTCXKKE-XMHGGMMESA-N 0 0 399.537 4.674 50 10 GJCARN Cc1oc2c(c1C(=O)c1ccc(Br)cc1)C(=O)C(=O)c1ccccc1-2 ZINC000002896456 570317470 /nfs/dbraw/zinc/31/74/70/570317470.db2.gz WEFVGUKZSRKNIE-UHFFFAOYSA-N 0 0 395.208 4.628 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000004309551 570367058 /nfs/dbraw/zinc/36/70/58/570367058.db2.gz GPVNEYGIFCJEQU-BXWFABGCSA-N 0 0 381.388 4.728 50 10 GJCARN COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c1 ZINC000004610948 570387285 /nfs/dbraw/zinc/38/72/85/570387285.db2.gz YYMBDWGNAYARCZ-OQLLNIDSSA-N 0 0 391.254 4.817 50 10 GJCARN CC(=O)Oc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)c(OC(C)=O)c1 ZINC000004993973 570391633 /nfs/dbraw/zinc/39/16/33/570391633.db2.gz UEIOBTMSWHXVOH-IEGUWTFLSA-N 0 0 377.440 4.672 50 10 GJCARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004894475 570415992 /nfs/dbraw/zinc/41/59/92/570415992.db2.gz JDMMSVLFQOASBC-JLHYYAGUSA-N 0 0 387.822 4.767 50 10 GJCARN O=C1c2oc3c(ccc4c3CN(C3CCCCC3)CO4)c2C(=O)c2ccccc21 ZINC000054114205 570446060 /nfs/dbraw/zinc/44/60/60/570446060.db2.gz WPGOJOPOVRDLIT-UHFFFAOYSA-N 0 0 387.435 4.693 50 10 biogenic GJCARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S ZINC000005171729 570491647 /nfs/dbraw/zinc/49/16/47/570491647.db2.gz OPTHFFFCYGCPOT-RIYZIHGNSA-N 0 0 394.861 4.729 50 10 GJCARN CCN1c2ccccc2O/C1=C\C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000005247238 570527352 /nfs/dbraw/zinc/52/73/52/570527352.db2.gz AVTGBYABIMHCHW-BKHHGCLFSA-N 0 0 394.521 4.691 50 10 GJCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCOCC1 ZINC000022289025 570538430 /nfs/dbraw/zinc/53/84/30/570538430.db2.gz CLWRPOOIPCVOTC-KNKQGSTJSA-N 0 0 394.902 4.639 50 10 GJCARN COc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721723 570550297 /nfs/dbraw/zinc/55/02/97/570550297.db2.gz BMDJLOSFWJNEDS-AUSIDOKSSA-N 0 0 390.414 4.782 50 10 GJCARN CSCC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cc(C)ccc3O)=NN21 ZINC000006721692 570550452 /nfs/dbraw/zinc/55/04/52/570550452.db2.gz MFSPTLQKOZTHFS-YLJYHZDGSA-N 0 0 388.920 4.977 50 10 GJCARN Oc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)cc1 ZINC000006721631 570550469 /nfs/dbraw/zinc/55/04/69/570550469.db2.gz PUNIZFWMYQLHJN-SIKLNZKXSA-N 0 0 392.842 4.994 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 ZINC000006721820 570550608 /nfs/dbraw/zinc/55/06/08/570550608.db2.gz GAFBLVONAUCAQF-DYESRHJHSA-N 0 0 378.453 4.705 50 10 GJCARN CN(C)c1ccc([C@@H](c2c(O)ccc3ccccc32)n2nnc3ccccc32)cc1 ZINC000005328619 570554282 /nfs/dbraw/zinc/55/42/82/570554282.db2.gz HOGBCRFGLBRZMS-VWLOTQADSA-N 0 0 394.478 4.994 50 10 GJCARN CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000006781040 570589163 /nfs/dbraw/zinc/58/91/63/570589163.db2.gz UJYLSFUJQPIKKY-UHFFFAOYSA-N 0 0 396.874 4.968 50 10 GJCARN Cc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 ZINC000006784942 570592196 /nfs/dbraw/zinc/59/21/96/570592196.db2.gz WEUMPMFMYNEGSQ-UHFFFAOYSA-N 0 0 385.822 4.926 50 10 GJCARN CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000004596656 570628039 /nfs/dbraw/zinc/62/80/39/570628039.db2.gz LAHHOEUNNUXFEL-MDWZMJQESA-N 0 0 380.288 4.540 50 10 GJCARN Cc1coc(-c2ccc(C)c(NCc3ccc(N4CCOCC4)c(F)c3)c2)n1 ZINC000152567670 570660829 /nfs/dbraw/zinc/66/08/29/570660829.db2.gz OJKNJGMYCDWGPR-UHFFFAOYSA-N 0 0 381.451 4.546 50 10 GJCARN COc1ccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@@H](C)C4)cc2)cc1 ZINC000006877939 570669338 /nfs/dbraw/zinc/66/93/38/570669338.db2.gz TYTZGJVPQCKVRM-QGZVFWFLSA-N 0 0 388.511 4.849 50 10 GJCARN COc1ccc(C(=O)Oc2ccc(Cl)cc2-n2c(C)ccc2C)cc1OC ZINC000005659403 570680484 /nfs/dbraw/zinc/68/04/84/570680484.db2.gz KKWBYBCNBTYVNF-UHFFFAOYSA-N 0 0 385.847 4.984 50 10 GJCARN CN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC1=S ZINC000005798115 570692547 /nfs/dbraw/zinc/69/25/47/570692547.db2.gz MLWASJMNUKLFCK-CPNJWEJPSA-N 0 0 394.521 4.551 50 10 GJCARN O=C1/C(=C\c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc21 ZINC000013546295 570756959 /nfs/dbraw/zinc/75/69/59/570756959.db2.gz PAGGCRBRSZOAQE-XNTDXEJSSA-N 0 0 382.422 4.747 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000013598459 570761834 /nfs/dbraw/zinc/76/18/34/570761834.db2.gz FFGDSNQXLQABEN-BOPFTXTBSA-N 0 0 389.473 4.639 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC ZINC000013647700 570766351 /nfs/dbraw/zinc/76/63/51/570766351.db2.gz MLQRLZBDCWXCMD-YVLHZVERSA-N 0 0 389.473 4.639 50 10 GJCARN COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccccc3)C2=S)cc1 ZINC000001236290 570941369 /nfs/dbraw/zinc/94/13/69/570941369.db2.gz LDAOMRZRKRZHFC-GHRIWEEISA-N 0 0 398.509 4.561 50 10 GJCARN COc1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1Cl ZINC000002120931 570955946 /nfs/dbraw/zinc/95/59/46/570955946.db2.gz CNQCKLXBVWSGKS-UHFFFAOYSA-N 0 0 385.847 4.737 50 10 biogenic GJCARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[NH+]2CCCCCC2)c1[O-] ZINC000004808829 570997278 /nfs/dbraw/zinc/99/72/78/570997278.db2.gz RFDBHVKRBCXXPR-UHFFFAOYSA-N 0 0 398.528 4.869 50 10 GJCARN FC(F)(F)Oc1ccc(N2CC[C@H](CNc3nc4ccccc4o3)C2)cc1 ZINC000084600430 571026062 /nfs/dbraw/zinc/02/60/62/571026062.db2.gz YGJULBXUACVQRG-CYBMUJFWSA-N 0 0 377.366 4.665 50 10 GJCARN CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S ZINC000001462148 212246407 /nfs/dbraw/zinc/24/64/07/212246407.db2.gz VCCACJPDGMJBIT-ATVHPVEESA-N 0 0 395.509 4.744 50 10 GJCARN CCOc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OCC ZINC000001423382 212243820 /nfs/dbraw/zinc/24/38/20/212243820.db2.gz MSVQNLPPOMZZOR-UHFFFAOYSA-N 0 0 375.428 4.992 50 10 GJCARN CCO[C@]1(c2ccccc2)C[C@H](c2ccccc2)C2(O1)C(=O)c1ccccc1C2=O ZINC000000863739 206328636 /nfs/dbraw/zinc/32/86/36/206328636.db2.gz INKRWDBAPNARHJ-RCZVLFRGSA-N 0 0 398.458 4.898 50 10 GJCARN CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000001102663 206352036 /nfs/dbraw/zinc/35/20/36/206352036.db2.gz QFVKLZGECVOENR-JTDSTZFVSA-N 0 0 397.316 4.977 50 10 GJCARN COc1ccc2c3ccc(OCC(=O)c4ccc(Cl)cc4)cc3oc(=O)c2c1 ZINC000001123730 206356254 /nfs/dbraw/zinc/35/62/54/206356254.db2.gz LUEIHCMHZRPJSS-UHFFFAOYSA-N 0 0 394.810 4.870 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c(OC)c1 ZINC000001302955 206371853 /nfs/dbraw/zinc/37/18/53/206371853.db2.gz WBIQWHGZHREHRW-ZDLGFXPLSA-N 0 0 385.510 4.726 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)c1 ZINC000010215310 206374141 /nfs/dbraw/zinc/37/41/41/206374141.db2.gz IZLAKZSVFLVUOQ-DENIHFKCSA-N 0 0 391.858 4.991 50 10 GJCARN CN(C)c1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 ZINC000001416689 206379254 /nfs/dbraw/zinc/37/92/54/206379254.db2.gz DEIHSBFDRLPIOK-XDHOZWIPSA-N 0 0 393.537 4.650 50 10 GJCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(N(C)C)cc3)c(O)c2n1 ZINC000001168764 206363110 /nfs/dbraw/zinc/36/31/10/206363110.db2.gz RESWIUWBKBPTTM-QFIPXVFZSA-N 0 0 384.483 4.911 50 10 GJCARN Cc1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)c(Br)c1 ZINC000002119997 206399718 /nfs/dbraw/zinc/39/97/18/206399718.db2.gz MEIYSYJMBPWNKF-NTUHNPAUSA-N 0 0 380.288 4.506 50 10 GJCARN CC(C)Oc1ccc(/C=C2\N=C(c3ccccc3)N(c3nccs3)C2=O)cc1 ZINC000002206905 206402149 /nfs/dbraw/zinc/40/21/49/206402149.db2.gz XOXXLBILDZVVDT-RGEXLXHISA-N 0 0 389.480 4.765 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 ZINC000002402208 206413347 /nfs/dbraw/zinc/41/33/47/206413347.db2.gz XKDANAWHQFOUBK-WQRHYEAKSA-N 0 0 380.494 4.593 50 10 GJCARN O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCCC1 ZINC000004132264 206503154 /nfs/dbraw/zinc/50/31/54/206503154.db2.gz WLAHXIMORDOAIS-WAOWUJCRSA-N 0 0 389.455 4.657 50 10 GJCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3)C2=O)cc1 ZINC000012524009 206907131 /nfs/dbraw/zinc/90/71/31/206907131.db2.gz OQECIRGLBYAXKR-RGEXLXHISA-N 0 0 397.569 4.804 50 10 GJCARN C[C@H]1Cc2cc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)ccc2O1 ZINC000013813734 207000888 /nfs/dbraw/zinc/00/08/88/207000888.db2.gz UMVUTQHBZIVKDF-XACIZNRCSA-N 0 0 385.485 4.551 50 10 GJCARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(C)ccc4O)=NN32)cc1 ZINC000020070849 207177793 /nfs/dbraw/zinc/17/77/93/207177793.db2.gz RGKMVUUCAADLOY-URXFXBBRSA-N 0 0 386.451 4.952 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000020236953 207185105 /nfs/dbraw/zinc/18/51/05/207185105.db2.gz PHXBVBCJWUYDID-WAJQDEFNSA-N 0 0 394.862 4.506 50 10 GJCARN CCOc1ccccc1Oc1coc2c(ccc([O-])c2C[NH+](CC)CC)c1=O ZINC000020461118 207196008 /nfs/dbraw/zinc/19/60/08/207196008.db2.gz GHLBEUMTUGUTML-UHFFFAOYSA-N 0 0 383.444 4.531 50 10 GJCARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000033039486 207433590 /nfs/dbraw/zinc/43/35/90/207433590.db2.gz ZCHOLOAYFONALM-CJLVFECKSA-N 0 0 382.463 4.789 50 10 GJCARN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1cc2c(cc1Cl)OCO2 ZINC000006096647 208676109 /nfs/dbraw/zinc/67/61/09/208676109.db2.gz RZMSCIHOXHBQQS-GIDUJCDVSA-N 0 0 393.251 4.805 50 10 GJCARN CC1=CN2C(=NC(=O)/C(=C/c3ccc(OCc4ccccc4C)cc3)C2=N)S1 ZINC000005447736 208670692 /nfs/dbraw/zinc/67/06/92/208670692.db2.gz IZHOXFVDONICMI-CWUSKICSSA-N 0 0 389.480 4.741 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000003858931 220666380 /nfs/dbraw/zinc/66/63/80/220666380.db2.gz WMMQCHJDFONXRX-ONBPWHQPSA-N 0 0 390.512 4.878 50 10 GJCARN CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccccc2)SC1=S ZINC000004725624 220754737 /nfs/dbraw/zinc/75/47/37/220754737.db2.gz XXYBBAARFGVNFT-XDJHFCHBSA-N 0 0 399.537 4.756 50 10 GJCARN C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C1 ZINC000004949509 220798737 /nfs/dbraw/zinc/79/87/37/220798737.db2.gz RJKQSDZKHOSBER-FHXOWUIVSA-N 0 0 397.456 4.557 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000012413438 221189632 /nfs/dbraw/zinc/18/96/32/221189632.db2.gz BPEPFWFKQZBWDU-UYRXBGFRSA-N 0 0 397.858 4.616 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OC ZINC000013786570 221288891 /nfs/dbraw/zinc/28/88/91/221288891.db2.gz AHCCIXNVOOYZKH-RGEXLXHISA-N 0 0 399.537 4.538 50 10 GJCARN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1O ZINC000015008410 221326059 /nfs/dbraw/zinc/32/60/59/221326059.db2.gz YIWDBWJVVWPOCG-OQLLNIDSSA-N 0 0 391.901 4.768 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)ccc1O ZINC000015011206 221326476 /nfs/dbraw/zinc/32/64/76/221326476.db2.gz ONNIMFNXWVBFRB-ATVHPVEESA-N 0 0 377.531 4.572 50 10 GJCARN Cc1ccc(COc2ccc([N+](=O)[O-])cc2C=C2SC(=O)NC2=S)cc1 ZINC000016805074 221370338 /nfs/dbraw/zinc/37/03/38/221370338.db2.gz GNAQIMZLQDJUOW-SXGWCWSVSA-N 0 0 386.454 4.607 50 10 GJCARN CCCCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000022258229 221556458 /nfs/dbraw/zinc/55/64/58/221556458.db2.gz JFOARPGVISRCLB-BOPFTXTBSA-N 0 0 379.547 4.731 50 10 GJCARN CCCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(OC)c(OC)c2)CO1 ZINC000002116830 535078801 /nfs/dbraw/zinc/07/88/01/535078801.db2.gz PZDUAXZPELZLST-UHFFFAOYSA-N 0 0 395.455 4.509 50 10 biogenic GJCARN CCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S ZINC000020308694 535425768 /nfs/dbraw/zinc/42/57/68/535425768.db2.gz FRBGWMKEESIFCX-AQTBWJFISA-N 0 0 397.569 4.755 50 10 GJCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3 ZINC000019800092 570220248 /nfs/dbraw/zinc/22/02/48/570220248.db2.gz LGEMGRJHQBCNPF-CYBMUJFWSA-N 0 0 375.896 4.795 50 10 GJCARN CN(C)c1ccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN23)cc1 ZINC000085988072 570264470 /nfs/dbraw/zinc/26/44/70/570264470.db2.gz CXXDKYLKZCERDU-RBUKOAKNSA-N 0 0 390.314 4.569 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 ZINC000100147932 570267641 /nfs/dbraw/zinc/26/76/41/570267641.db2.gz YQXHZOBGXSQJDQ-LHHJGKSTSA-N 0 0 375.211 4.528 50 10 GJCARN CCOc1ccc(C=C2SC(Nc3ccccc3CC)=NC2=O)cc1OC ZINC000005213995 570277138 /nfs/dbraw/zinc/27/71/38/570277138.db2.gz ZKOSFZIQGPFOPL-UYRXBGFRSA-N 0 0 382.485 4.739 50 10 GJCARN CCc1ccc(OCCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000002874294 570314537 /nfs/dbraw/zinc/31/45/37/570314537.db2.gz PBGZJGNJBFYEAY-XMHGGMMESA-N 0 0 399.537 4.586 50 10 GJCARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1-c1ccccc1 ZINC000004843806 570327047 /nfs/dbraw/zinc/32/70/47/570327047.db2.gz UQVSDNUJWOFYGG-UHFFFAOYSA-N 0 0 390.468 4.514 50 10 GJCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000003252187 570334435 /nfs/dbraw/zinc/33/44/35/570334435.db2.gz KQWWSRSQBFYZRG-NTUHNPAUSA-N 0 0 383.325 4.890 50 10 GJCARN CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000000633979 570341082 /nfs/dbraw/zinc/34/10/82/570341082.db2.gz KIZMSLXWQBNXKW-SFHVURJKSA-N 0 0 397.935 4.775 50 10 GJCARN Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000010911791 570365021 /nfs/dbraw/zinc/36/50/21/570365021.db2.gz OYLFCMVOGRERFI-DEOSSOPVSA-N 0 0 386.451 4.599 50 10 GJCARN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1cccc2ccccc21 ZINC000004524123 570381839 /nfs/dbraw/zinc/38/18/39/570381839.db2.gz ORSOHWRZZUIVFE-WOJGMQOQSA-N 0 0 379.462 4.657 50 10 GJCARN CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1N(C)C[C@H]1CCCO1 ZINC000005193184 570431150 /nfs/dbraw/zinc/43/11/50/570431150.db2.gz XCQBMQVVMZIJLZ-MRXNPFEDSA-N 0 0 380.485 4.568 50 10 GJCARN COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)ccc1O ZINC000248126367 570442360 /nfs/dbraw/zinc/44/23/60/570442360.db2.gz GHOXFWFQDUSHAB-KKSFZXQISA-N 0 0 378.453 4.705 50 10 GJCARN Cc1cc([C@H]2CCCN2C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)no1 ZINC000029243959 570470857 /nfs/dbraw/zinc/47/08/57/570470857.db2.gz PASIFYFMSCBOFG-VDZCTEQFSA-N 0 0 375.472 4.767 50 10 GJCARN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 ZINC000005172480 570492111 /nfs/dbraw/zinc/49/21/11/570492111.db2.gz ASHBIFQUADCNJW-ZROIWOOFSA-N 0 0 382.894 4.782 50 10 GJCARN CN(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 ZINC000003067967 570533790 /nfs/dbraw/zinc/53/37/90/570533790.db2.gz NXWZQGNUHMLXDW-LICLKQGHSA-N 0 0 387.892 4.512 50 10 GJCARN O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21)N1CCCC1 ZINC000022108892 570538626 /nfs/dbraw/zinc/53/86/26/570538626.db2.gz WLAHXIMORDOAIS-DBXWQHBBSA-N 0 0 389.455 4.657 50 10 GJCARN COc1ccccc1C=C1SC(=S)N(N=c2[nH]c3ccccc3s2)C1=O ZINC000009914779 570562687 /nfs/dbraw/zinc/56/26/87/570562687.db2.gz BMOGUCKOVQGXHU-GDNBJRDFSA-N 0 0 399.522 4.533 50 10 GJCARN COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000006781007 570588594 /nfs/dbraw/zinc/58/85/94/570588594.db2.gz QGYXPKLMNOMQJH-UHFFFAOYSA-N 0 0 376.456 4.541 50 10 GJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)C[C@H](C)O3)SC1=S ZINC000005419550 570588754 /nfs/dbraw/zinc/58/87/54/570588754.db2.gz WHJXWLVCNUSNND-GJYIUCAPSA-N 0 0 381.522 4.972 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccccc1F)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000169681527 570602043 /nfs/dbraw/zinc/60/20/43/570602043.db2.gz QJEYNWDOXNZLHL-CVDCTZTESA-N 0 0 390.414 4.782 50 10 GJCARN CCn1nnc2cc(-c3noc(-c4ccc(-n5c(C)ccc5C)cc4)n3)ccc21 ZINC000064979936 570624419 /nfs/dbraw/zinc/62/44/19/570624419.db2.gz LOHZVVKBTFTWLK-UHFFFAOYSA-N 0 0 384.443 4.576 50 10 GJCARN Cc1cc(C(=O)OCC(=O)Nc2c(C)cccc2C)c(C)n1-c1ccccc1 ZINC000004835398 570634001 /nfs/dbraw/zinc/63/40/01/570634001.db2.gz KFRLQGHFAKKQJD-UHFFFAOYSA-N 0 0 376.456 4.506 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000013549382 570655234 /nfs/dbraw/zinc/65/52/34/570655234.db2.gz LZKIDXBPFIUPBU-UYRXBGFRSA-N 0 0 381.859 4.916 50 10 GJCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)cc1 ZINC000006630645 570672211 /nfs/dbraw/zinc/67/22/11/570672211.db2.gz KJMBITURMQVLJT-KGENOOAVSA-N 0 0 386.451 4.764 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000013549388 570757278 /nfs/dbraw/zinc/75/72/78/570757278.db2.gz ILAUJXZJRGLLHQ-AQTBWJFISA-N 0 0 381.859 4.916 50 10 GJCARN Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccccc1 ZINC000032766763 570802989 /nfs/dbraw/zinc/80/29/89/570802989.db2.gz HOCVMRRXTYNMCO-HNNXBMFYSA-N 0 0 382.847 4.571 50 10 GJCARN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cccc(C)c1 ZINC000101123610 570815186 /nfs/dbraw/zinc/81/51/86/570815186.db2.gz KHOGRNRQHWYCML-GZTJUZNOSA-N 0 0 384.277 4.784 50 10 GJCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1F ZINC000004501842 570816907 /nfs/dbraw/zinc/81/69/07/570816907.db2.gz IWKCKVCFUZKWOX-UHFFFAOYSA-N 0 0 396.414 4.549 50 10 GJCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCCc2ccccc21 ZINC000007423365 570840908 /nfs/dbraw/zinc/84/09/08/570840908.db2.gz AZMHHDAMFHLXEZ-UHFFFAOYSA-N 0 0 397.931 4.812 50 10 GJCARN CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000007423336 570840937 /nfs/dbraw/zinc/84/09/37/570840937.db2.gz XATQMJBUVTTZQQ-UHFFFAOYSA-N 0 0 399.903 4.674 50 10 GJCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)N1CCCCC1 ZINC000044086258 570862578 /nfs/dbraw/zinc/86/25/78/570862578.db2.gz UPEVSFJBGGOTMR-UHFFFAOYSA-N 0 0 391.540 4.703 50 10 GJCARN Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)cc1 ZINC000102907381 570871391 /nfs/dbraw/zinc/87/13/91/570871391.db2.gz RSMMAABWFWTLQW-CTNGQTDRSA-N 0 0 377.831 4.683 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccncc1 ZINC000102907342 570871460 /nfs/dbraw/zinc/87/14/60/570871460.db2.gz IYHBKSIFFHRMLY-WIYYLYMNSA-N 0 0 377.831 4.683 50 10 GJCARN CCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103793434 570889112 /nfs/dbraw/zinc/88/91/12/570889112.db2.gz PNOCQQMJWFTPTK-ICFOKQHNSA-N 0 0 390.512 4.711 50 10 GJCARN COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1ncc[nH]1 ZINC000299781064 570895296 /nfs/dbraw/zinc/89/52/96/570895296.db2.gz LGFGIFBDKWDOLJ-FQEVSTJZSA-N 0 0 395.528 4.979 50 10 GJCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000005033963 570946598 /nfs/dbraw/zinc/94/65/98/570946598.db2.gz NYESGNXPVVCJSO-LDFNIPPCSA-N 0 0 381.478 4.767 50 10 GJCARN CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O ZINC000033286109 570954688 /nfs/dbraw/zinc/95/46/88/570954688.db2.gz VRHRFXALEYSARP-CYVLTUHYSA-N 0 0 389.565 4.649 50 10 GJCARN O=C1S/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1 ZINC000033293596 570963542 /nfs/dbraw/zinc/96/35/42/570963542.db2.gz GIVQIRXYODFKAJ-CPNJWEJPSA-N 0 0 382.460 4.662 50 10 GJCARN Cc1ccc(O)c(CN2CCCn3cccc3[C@H]2c2cc(F)c(F)cc2F)c1 ZINC000037522695 571024072 /nfs/dbraw/zinc/02/40/72/571024072.db2.gz HIPSMMLXWSITPY-JOCHJYFZSA-N 0 0 386.417 4.915 50 10 GJCARN COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)ccc1O ZINC000010215484 212238415 /nfs/dbraw/zinc/23/84/15/212238415.db2.gz GHOXFWFQDUSHAB-HRAATJIYSA-N 0 0 378.453 4.705 50 10 GJCARN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[NH+]2CCC(C)CC2)c1=O ZINC000020411440 212150692 /nfs/dbraw/zinc/15/06/92/212150692.db2.gz SLKHHSMYTNQKDZ-UHFFFAOYSA-N 0 0 393.483 4.715 50 10 biogenic GJCARN COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)c4ccco4)ccc23)cc1 ZINC000001143403 212144827 /nfs/dbraw/zinc/14/48/27/212144827.db2.gz RBKPXFCYZYWLHF-UHFFFAOYSA-N 0 0 376.364 4.589 50 10 biogenic GJCARN COc1ccc(-c2c(C)c3ccc([O-])c(C[N@@H+]4CCC[C@H](C)C4)c3oc2=O)cc1 ZINC000004340382 206293694 /nfs/dbraw/zinc/29/36/94/206293694.db2.gz BRLFVADWFABQPW-HNNXBMFYSA-N 0 0 393.483 4.715 50 10 GJCARN COc1cc([N+](=O)[O-])cc(C[N@H+](CCc2ccccc2)Cc2ccccc2)c1[O-] ZINC000000759077 206319882 /nfs/dbraw/zinc/31/98/82/206319882.db2.gz OCCXKQWISOKWDY-UHFFFAOYSA-N 0 0 392.455 4.554 50 10 GJCARN CC(C)CC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc21 ZINC000000801037 206323428 /nfs/dbraw/zinc/32/34/28/206323428.db2.gz LIURNHRZIXEXIT-JOCHJYFZSA-N 0 0 378.428 4.705 50 10 GJCARN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1cccc(Br)c1 ZINC000001011292 206342409 /nfs/dbraw/zinc/34/24/09/206342409.db2.gz RVSHNUDYYIKAQB-RIYZIHGNSA-N 0 0 392.299 4.561 50 10 GJCARN COC(=O)c1sccc1-c1ccc(CN2CCCc3cc(OC)ccc32)o1 ZINC000001032439 206343707 /nfs/dbraw/zinc/34/37/07/206343707.db2.gz YZIFFORTVQYGPH-UHFFFAOYSA-N 0 0 383.469 4.756 50 10 GJCARN COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)ccc1O ZINC000010215492 206374763 /nfs/dbraw/zinc/37/47/63/206374763.db2.gz XIXKRWXSECZWSH-LAUBAEHRSA-N 0 0 378.453 4.705 50 10 GJCARN CCN1c2ccccc2C=C/C1=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000002072490 206396869 /nfs/dbraw/zinc/39/68/69/206396869.db2.gz YFTLMFFPUPJAFS-HNENSFHCSA-N 0 0 378.522 4.812 50 10 GJCARN COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3nccs3)C2=O)cc1 ZINC000002323565 206409425 /nfs/dbraw/zinc/40/94/25/206409425.db2.gz OZMPBLACMKRAGI-SFQUDFHCSA-N 0 0 395.871 4.640 50 10 GJCARN CCN1c2ccccc2O/C1=C\C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000004579212 206531424 /nfs/dbraw/zinc/53/14/24/206531424.db2.gz AVTGBYABIMHCHW-LOEKEGPCSA-N 0 0 394.521 4.691 50 10 GJCARN CCOC(=O)c1c(C)n(C)c2c1C(=NNc1ccc([N+](=O)[O-])cc1)C(=O)C=C2 ZINC000004817107 206557569 /nfs/dbraw/zinc/55/75/69/206557569.db2.gz MXORHKUVAXSJEG-QZQOTICOSA-N 0 0 382.376 4.693 50 10 GJCARN COc1ccc(Cl)c(NC2=NC(=O)C(=Cc3c[nH]c4ccccc34)S2)c1 ZINC000016192683 207074276 /nfs/dbraw/zinc/07/42/76/207074276.db2.gz YQZQYFLUTXKJOV-CAOOACKPSA-N 0 0 383.860 4.912 50 10 GJCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCC(C)C ZINC000017123328 207084965 /nfs/dbraw/zinc/08/49/65/207084965.db2.gz IKRYVQLLASDSJA-ZHZULCJRSA-N 0 0 378.472 4.926 50 10 GJCARN CCCC[N@H+](CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21 ZINC000019790395 207162028 /nfs/dbraw/zinc/16/20/28/207162028.db2.gz JIVIVOGQAJHJAH-UHFFFAOYSA-N 0 0 381.472 4.796 50 10 biogenic GJCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000020037276 207174710 /nfs/dbraw/zinc/17/47/10/207174710.db2.gz VAOOIEKUQZMMCP-ONBPWHQPSA-N 0 0 390.512 4.878 50 10 GJCARN CCOc1cc(C=C2SC(Nc3ccc(C)c(Cl)c3)=NC2=O)ccc1O ZINC000019925491 207170329 /nfs/dbraw/zinc/17/03/29/207170329.db2.gz CHZHGJAMNIWXBF-MFOYZWKCSA-N 0 0 388.876 4.835 50 10 GJCARN O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)NCc1ccc(O)cc1O ZINC000095524068 208222609 /nfs/dbraw/zinc/22/26/09/208222609.db2.gz DUJPPPDMYSVSAJ-IBGZPJMESA-N 0 0 381.859 4.590 50 10 GJCARN CN(C1=NC(=O)/C(=C\c2cccc(Cl)c2Cl)S1)c1ccc(O)cc1 ZINC000096402206 208316791 /nfs/dbraw/zinc/31/67/91/208316791.db2.gz TWUVRAZKHLCVTB-NTEUORMPSA-N 0 0 379.268 4.806 50 10 GJCARN O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 ZINC000101691780 208487159 /nfs/dbraw/zinc/48/71/59/208487159.db2.gz JXOIIPFRFQUXMS-DXIQSLLYSA-N 0 0 389.455 4.657 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)SC2=S)cc1 ZINC000001465623 220498607 /nfs/dbraw/zinc/49/86/07/220498607.db2.gz DOEMHHPWXLWTHL-GDNBJRDFSA-N 0 0 393.436 4.702 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000004499219 220721500 /nfs/dbraw/zinc/72/15/00/220721500.db2.gz VMYVJNSJXUHGJS-NTEUORMPSA-N 0 0 394.315 4.930 50 10 GJCARN Cc1cc(CNC(=O)NCc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228618 221074934 /nfs/dbraw/zinc/07/49/34/221074934.db2.gz BCIQGTKDBZUYGU-UHFFFAOYSA-N 0 0 385.870 4.886 50 10 GJCARN COc1cc2c(cc1NCC(=O)Nc1cccc(C(C)=O)c1)oc1ccccc12 ZINC000011619181 221118786 /nfs/dbraw/zinc/11/87/86/221118786.db2.gz OMBAEYXCRLYRAJ-UHFFFAOYSA-N 0 0 388.423 4.848 50 10 GJCARN COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1ncc[nH]1 ZINC000012245889 221173399 /nfs/dbraw/zinc/17/33/99/221173399.db2.gz JKBQJZMKWNGEIZ-SFHVURJKSA-N 0 0 387.455 4.940 50 10 GJCARN Cc1c(Cl)cccc1NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000013071624 221259938 /nfs/dbraw/zinc/25/99/38/221259938.db2.gz SROAXYQODGMHRU-INIZCTEOSA-N 0 0 390.936 4.732 50 10 GJCARN O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000013546259 221271586 /nfs/dbraw/zinc/27/15/86/221271586.db2.gz UWZCSBMPXRSEIN-RIYZIHGNSA-N 0 0 394.836 4.793 50 10 GJCARN Cc1ccc(OCCn2cc(C=C3SC(=S)NC3=O)c3ccccc32)cc1 ZINC000013943294 221293166 /nfs/dbraw/zinc/29/31/66/221293166.db2.gz CQVINTVFCZCNIW-UNOMPAQXSA-N 0 0 394.521 4.518 50 10 GJCARN O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1Cc1ccccc1 ZINC000015357269 221335127 /nfs/dbraw/zinc/33/51/27/221335127.db2.gz NWUIXIWUWPGIGX-XNTDXEJSSA-N 0 0 377.437 4.689 50 10 GJCARN COC(=O)c1ccccc1-c1ccc(/C=C2/C(C)=NN(c3ccccc3)C2=O)o1 ZINC000017146077 221380120 /nfs/dbraw/zinc/38/01/20/221380120.db2.gz PJKOSSHMRUAAGZ-ZHZULCJRSA-N 0 0 386.407 4.539 50 10 GJCARN CC(Nc1ccc(Cl)cc1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000018250797 221391283 /nfs/dbraw/zinc/39/12/83/221391283.db2.gz MGDNEMRAFCVGOX-LDADJPATSA-N 0 0 384.823 4.665 50 10 GJCARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)cc1 ZINC000020070851 221471107 /nfs/dbraw/zinc/47/11/07/221471107.db2.gz RGKMVUUCAADLOY-QPPBQGQZSA-N 0 0 386.451 4.952 50 10 GJCARN O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1CCc1ccccc1 ZINC000051330873 222004324 /nfs/dbraw/zinc/00/43/24/222004324.db2.gz PQDFMYNBDMDPTJ-RGEXLXHISA-N 0 0 376.506 4.679 50 10 GJCARN COc1ccc([C@H](Nc2nccs2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000059386402 222058157 /nfs/dbraw/zinc/05/81/57/222058157.db2.gz BCHBBVWZRIQVCY-SFHVURJKSA-N 0 0 377.469 4.915 50 10 GJCARN CC(=O)[C@@H](N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl ZINC000088263412 222327967 /nfs/dbraw/zinc/32/79/67/222327967.db2.gz QTSNFLIDNYOATQ-WGLILOHCSA-N 0 0 395.202 4.582 50 10 GJCARN O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048678323 570253615 /nfs/dbraw/zinc/25/36/15/570253615.db2.gz YQAGEZAMFZVSAE-CYFREDJKSA-N 0 0 375.468 4.710 50 10 GJCARN O=C1c2ccccc2C(=O)C1(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000001173525 570253635 /nfs/dbraw/zinc/25/36/35/570253635.db2.gz MHICARHOVGYWAG-UHFFFAOYSA-N 0 0 391.810 4.808 50 10 GJCARN Cc1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 ZINC000005188624 570276876 /nfs/dbraw/zinc/27/68/76/570276876.db2.gz FLGDCAFNJKQVQA-OXMFYWCOSA-N 0 0 394.887 4.510 50 10 GJCARN CC(=O)Oc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)c(OC(C)=O)c1 ZINC000004993975 570391679 /nfs/dbraw/zinc/39/16/79/570391679.db2.gz UEIOBTMSWHXVOH-PMAPCBKXSA-N 0 0 377.440 4.672 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000004749374 570402459 /nfs/dbraw/zinc/40/24/59/570402459.db2.gz UUMYREWJOVDWMT-CYUIRQCWSA-N 0 0 385.510 4.666 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)SC1=S ZINC000004844886 570411648 /nfs/dbraw/zinc/41/16/48/570411648.db2.gz AJWLUVBMGUHYGR-RIYZIHGNSA-N 0 0 394.861 4.729 50 10 GJCARN N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000033675973 570412927 /nfs/dbraw/zinc/41/29/27/570412927.db2.gz MOFWLZZUJXZQKM-ISFDWQSPSA-N 0 0 384.480 4.805 50 10 GJCARN COc1ccc(N(C)Cc2csc(-c3cccc(OC)c3OC)n2)cc1F ZINC000121776954 570414689 /nfs/dbraw/zinc/41/46/89/570414689.db2.gz FFENQHRNMUBMSE-UHFFFAOYSA-N 0 0 388.464 4.611 50 10 GJCARN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 ZINC000005098698 570415849 /nfs/dbraw/zinc/41/58/49/570415849.db2.gz NSLAFMMGUWQESG-RUZDIDTESA-N 0 0 399.538 4.595 50 10 GJCARN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)cc1 ZINC000004931927 570418674 /nfs/dbraw/zinc/41/86/74/570418674.db2.gz DOEMHHPWXLWTHL-XNTDXEJSSA-N 0 0 393.436 4.702 50 10 GJCARN CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S ZINC000033849923 570419979 /nfs/dbraw/zinc/41/99/79/570419979.db2.gz MLWASJMNUKLFCK-UYRXBGFRSA-N 0 0 394.521 4.551 50 10 GJCARN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000005102438 570429453 /nfs/dbraw/zinc/42/94/53/570429453.db2.gz ICCBOXUXEPGYNG-MHWRWJLKSA-N 0 0 375.902 4.750 50 10 GJCARN CCOc1ccccc1NC(=O)c1c(NCc2cccn2C)sc2c1CCC2 ZINC000005714222 570452676 /nfs/dbraw/zinc/45/26/76/570452676.db2.gz YBEMZNMJJJTODG-UHFFFAOYSA-N 0 0 395.528 4.838 50 10 GJCARN O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1c1ccc(O)cc1 ZINC000054360927 570501164 /nfs/dbraw/zinc/50/11/64/570501164.db2.gz SOOQZMVEQQDVSA-YBEGLDIGSA-N 0 0 398.896 5.000 50 10 GJCARN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1cccc(Br)c1 ZINC000005277162 570547984 /nfs/dbraw/zinc/54/79/84/570547984.db2.gz VFEPUTYJCANZEA-BOPFTXTBSA-N 0 0 384.277 4.784 50 10 GJCARN COC(=O)c1sc2nc(-c3ccc(OC)cc3)cc(-c3ccco3)c2c1N ZINC000004335389 570581517 /nfs/dbraw/zinc/58/15/17/570581517.db2.gz FFHVMBPHTAYYFS-UHFFFAOYSA-N 0 0 380.425 4.601 50 10 GJCARN COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000006781011 570588673 /nfs/dbraw/zinc/58/86/73/570588673.db2.gz IQNCACLIVMLAPB-UHFFFAOYSA-N 0 0 376.456 4.541 50 10 GJCARN Cc1cc2n(n1)[C@@H](c1cc(Br)ccc1O)Nc1c(C)cc(C)cc1-2 ZINC000006792746 570596770 /nfs/dbraw/zinc/59/67/70/570596770.db2.gz XLOFECYBQORHIL-IBGZPJMESA-N 0 0 384.277 4.916 50 10 GJCARN Brc1ccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004597426 570628477 /nfs/dbraw/zinc/62/84/77/570628477.db2.gz VMYPNMNWLWORAS-UHFFFAOYSA-N 0 0 398.216 4.829 50 10 GJCARN CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c1 ZINC000058366526 570729266 /nfs/dbraw/zinc/72/92/66/570729266.db2.gz OUMSCOYCXNSBAK-HSZRJFAPSA-N 0 0 388.467 4.866 50 10 GJCARN O=[N+]([O-])c1ccc([C@H](Nc2nccs2)c2ccc3cccnc3c2O)cc1 ZINC000001004568 570745978 /nfs/dbraw/zinc/74/59/78/570745978.db2.gz VBMBLYPJQKXYQD-INIZCTEOSA-N 0 0 378.413 4.507 50 10 GJCARN CCOc1ccc(-n2c(C)c(C(=O)NCCCOC)cc2-c2ccccc2)cc1 ZINC000004418165 570751984 /nfs/dbraw/zinc/75/19/84/570751984.db2.gz CXFWUJCAPDMPLI-UHFFFAOYSA-N 0 0 392.499 4.618 50 10 GJCARN CCSc1c(C(=O)Nc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004419009 570753021 /nfs/dbraw/zinc/75/30/21/570753021.db2.gz QGSPFIUPOBCZLN-UHFFFAOYSA-N 0 0 387.460 4.826 50 10 GJCARN Cc1ccsc1/C=C1\SC(N2CCC(Cc3ccccc3)CC2)=NC1=O ZINC000013749738 570785081 /nfs/dbraw/zinc/78/50/81/570785081.db2.gz SGIUWYPWOOVRDJ-RGEXLXHISA-N 0 0 382.554 4.982 50 10 GJCARN Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000101114477 570814430 /nfs/dbraw/zinc/81/44/30/570814430.db2.gz XHQULCAWDOZWKD-LFIBNONCSA-N 0 0 395.875 4.577 50 10 GJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Br ZINC000101141423 570815809 /nfs/dbraw/zinc/81/58/09/570815809.db2.gz JWCMVRDDYZGDPB-GXDHUFHOSA-N 0 0 390.668 4.821 50 10 GJCARN COc1ccc2c(c1)CCCN2C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012528541 570832678 /nfs/dbraw/zinc/83/26/78/570832678.db2.gz FQOGLKMUHOHXMX-QFIPXVFZSA-N 0 0 389.495 4.555 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)c1 ZINC000239611693 570834902 /nfs/dbraw/zinc/83/49/02/570834902.db2.gz FAUDGJUSQSZCOA-NQIIRXRSSA-N 0 0 396.899 5.658 50 10 GJCARN Cc1cc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)c(C)n1-c1ccccc1C ZINC000033217877 570844711 /nfs/dbraw/zinc/84/47/11/570844711.db2.gz WKTGCEYUDAXBBP-UHFFFAOYSA-N 0 0 391.446 4.679 50 10 GJCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 ZINC000003672345 570882779 /nfs/dbraw/zinc/88/27/79/570882779.db2.gz VUFPJEOXZBXBOC-UHFFFAOYSA-N 0 0 396.414 4.549 50 10 GJCARN COc1cccc2c1O[C@@H](c1cccc(C)c1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000103562989 570886808 /nfs/dbraw/zinc/88/68/08/570886808.db2.gz LCXVLUCQOIHBRG-YKSBVNFPSA-N 0 0 386.451 4.952 50 10 GJCARN COc1ccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c[nH]c2c1 ZINC000051330868 570929746 /nfs/dbraw/zinc/92/97/46/570929746.db2.gz LYEFESTWONFECU-ODLFYWEKSA-N 0 0 394.521 4.620 50 10 GJCARN Cc1cccc(N[C@@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)n1 ZINC000045944577 571005626 /nfs/dbraw/zinc/00/56/26/571005626.db2.gz BAULLPMRXGTTBP-IBGZPJMESA-N 0 0 376.847 4.894 50 10 GJCARN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000084191470 571007485 /nfs/dbraw/zinc/00/74/85/571007485.db2.gz ZQHQEGJLUMPSAW-UHFFFAOYSA-N 0 0 378.497 4.791 50 10 GJCARN CCC(=O)c1c(C)nc2c(c1-c1ccc(OC)c(OC)c1)C(=O)c1ccccc1-2 ZINC000002211246 571032803 /nfs/dbraw/zinc/03/28/03/571032803.db2.gz NKOGXFJXSNPUDU-UHFFFAOYSA-N 0 0 387.435 4.878 50 10 GJCARN Cc1cc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c(C)n1-c1ccccc1 ZINC000007777442 571035774 /nfs/dbraw/zinc/03/57/74/571035774.db2.gz YAEMAHALMSHEGY-UHFFFAOYSA-N 0 0 399.393 4.735 50 10 GJCARN Cc1cc(Cl)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001779849 212256027 /nfs/dbraw/zinc/25/60/27/212256027.db2.gz OVAXCRKIKFWZQO-UHFFFAOYSA-N 0 0 378.811 4.933 50 10 GJCARN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000001194075 212228283 /nfs/dbraw/zinc/22/82/83/212228283.db2.gz GJOOOSPLPCJMGC-RIYZIHGNSA-N 0 0 381.400 4.817 50 10 GJCARN COc1ccc(CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000001144167 212223527 /nfs/dbraw/zinc/22/35/27/212223527.db2.gz XRWZGNWTIBLCBA-YBEGLDIGSA-N 0 0 375.902 4.750 50 10 GJCARN O=c1c(-c2nc3ccccc3s2)coc2c1ccc([O-])c2C[NH+]1CCCCC1 ZINC000019707090 206296357 /nfs/dbraw/zinc/29/63/57/206296357.db2.gz RHLLQZYAULWSJE-UHFFFAOYSA-N 0 0 392.480 4.761 50 10 biogenic GJCARN CCO[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)C2(O1)C(=O)c1ccccc1C2=O ZINC000000863736 206329331 /nfs/dbraw/zinc/32/93/31/206329331.db2.gz INKRWDBAPNARHJ-DHLKQENFSA-N 0 0 398.458 4.898 50 10 GJCARN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CNc1cccc(F)c1 ZINC000001445042 206382392 /nfs/dbraw/zinc/38/23/92/206382392.db2.gz QFCPGCODYLNQGD-OVCLIPMQSA-N 0 0 378.881 4.750 50 10 GJCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(O)c1 ZINC000001210470 206367617 /nfs/dbraw/zinc/36/76/17/206367617.db2.gz FJESRHIXVHFGOM-ZSOIEALJSA-N 0 0 392.299 4.561 50 10 GJCARN O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1Br ZINC000001261647 206370023 /nfs/dbraw/zinc/37/00/23/206370023.db2.gz MBHSGHFFMFNSBV-WQLSENKSSA-N 0 0 382.329 4.916 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(COc3ccccc3Cl)o2)SC1=S ZINC000004652214 206537838 /nfs/dbraw/zinc/53/78/38/206537838.db2.gz HTYRTFQFTCJELG-OQLLNIDSSA-N 0 0 379.890 4.733 50 10 GJCARN Cc1scnc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O ZINC000006527599 206653988 /nfs/dbraw/zinc/65/39/88/206653988.db2.gz FMIPYPWEIHDGOF-QGZVFWFLSA-N 0 0 397.887 4.802 50 10 GJCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(F)cc1 ZINC000007017959 206700348 /nfs/dbraw/zinc/70/03/48/206700348.db2.gz FEQPXAJKFSWCLY-ZHZULCJRSA-N 0 0 387.370 4.568 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)cs1 ZINC000013464008 206975130 /nfs/dbraw/zinc/97/51/30/206975130.db2.gz QHQYYQDVGIEXEJ-AUWJEWJLSA-N 0 0 381.682 4.970 50 10 GJCARN COc1ccccc1Oc1coc2c(ccc([O-])c2C[N@@H+]2CCC[C@H](C)C2)c1=O ZINC000020390868 207190335 /nfs/dbraw/zinc/19/03/35/207190335.db2.gz KZVGKNAVBHUTEK-HNNXBMFYSA-N 0 0 395.455 4.531 50 10 biogenic GJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccccc3Cl)C2=N)S1 ZINC000032964103 207425665 /nfs/dbraw/zinc/42/56/65/207425665.db2.gz SZKWUDXJWSTZPC-GJEIUWSISA-N 0 0 397.891 4.550 50 10 GJCARN Cc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 ZINC000002856596 220574567 /nfs/dbraw/zinc/57/45/67/220574567.db2.gz DVPGXONCWPUQBN-XMHGGMMESA-N 0 0 399.537 4.674 50 10 GJCARN CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1O ZINC000004689807 220747719 /nfs/dbraw/zinc/74/77/19/220747719.db2.gz RXURPMCNLILKOP-XNTDXEJSSA-N 0 0 397.949 4.978 50 10 GJCARN COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)cc(Cl)c1OC ZINC000097990658 209016300 /nfs/dbraw/zinc/01/63/00/209016300.db2.gz OMBVPSYOKCGJBO-MHWRWJLKSA-N 0 0 388.876 4.748 50 10 GJCARN O=C1C(=Cc2ccccc2F)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000098002363 209018695 /nfs/dbraw/zinc/01/86/95/209018695.db2.gz KKMDVZMHFMRZGZ-NTEUORMPSA-N 0 0 387.486 4.664 50 10 GJCARN COc1ccc(N=Nc2ccc(N)cc2N)cc1N=Nc1ccc(N)cc1N ZINC000254405602 209043651 /nfs/dbraw/zinc/04/36/51/209043651.db2.gz GYSUSQZGUOGDNB-UHFFFAOYSA-N 0 0 376.424 4.855 50 10 GJCARN Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000006993389 220982034 /nfs/dbraw/zinc/98/20/34/220982034.db2.gz HPMBKVQYWMVIMS-UHFFFAOYSA-N 0 0 398.507 4.751 50 10 GJCARN CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(OC)c2O)cc1 ZINC000007884076 221015962 /nfs/dbraw/zinc/01/59/62/221015962.db2.gz WUQKYOAGCJWPJN-QFIPXVFZSA-N 0 0 390.439 4.571 50 10 GJCARN CCCN1c2ccccc2/C(=C2/SC(=S)N(c3ccc(C)cc3)C2=O)C1=O ZINC000013590587 221275457 /nfs/dbraw/zinc/27/54/57/221275457.db2.gz QHWTXZZETGKVLH-ZCXUNETKSA-N 0 0 394.521 4.528 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc(Cl)c1O ZINC000015011115 221326747 /nfs/dbraw/zinc/32/67/47/221326747.db2.gz MBXKQVFIFMFSNY-GDNBJRDFSA-N 0 0 397.949 4.836 50 10 GJCARN Cc1cccc(Cn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)c1 ZINC000015800597 221345856 /nfs/dbraw/zinc/34/58/56/221345856.db2.gz UUNPOHGTCZVOCP-ODLFYWEKSA-N 0 0 378.522 4.829 50 10 GJCARN CC(C)(C)N=[N+]([O-])c1c(Br)cc(Br)cc1[N+](=O)[O-] ZINC000063772510 222068076 /nfs/dbraw/zinc/06/80/76/222068076.db2.gz CMTPPSIUBDJINO-YPKPFQOOSA-N 0 0 381.024 4.512 50 10 GJCARN COc1ccc(OC)c(-c2ccc(O)c(CN(C)[C@@H](C)c3nccs3)c2)c1 ZINC000064152560 222070107 /nfs/dbraw/zinc/07/01/07/222070107.db2.gz ZMMLXWVOFLDYEP-AWEZNQCLSA-N 0 0 384.501 4.726 50 10 GJCARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1ccc(F)cc1 ZINC000006097439 570242848 /nfs/dbraw/zinc/24/28/48/570242848.db2.gz OJINENXCXMCXDO-UHFFFAOYSA-N 0 0 398.507 4.526 50 10 GJCARN Cc1c2cc(Cl)c([O-])c(C[NH+]3CCCC3)c2oc(=O)c1Cc1ccccc1 ZINC000020292827 570251641 /nfs/dbraw/zinc/25/16/41/570251641.db2.gz NHHAFKYBNLNZRA-UHFFFAOYSA-N 0 0 383.875 4.647 50 10 GJCARN Cc1cccc(COc2ccc(Cl)cc2C=C2SC(=S)NC2=O)c1 ZINC000001179985 570254701 /nfs/dbraw/zinc/25/47/01/570254701.db2.gz INEDAYNQACDDNW-CXUHLZMHSA-N 0 0 375.902 4.716 50 10 GJCARN COc1ccc(N2COc3ccc4c(c3C2)OC2(CCCCC2)CC4=O)cc1 ZINC000020733607 570277855 /nfs/dbraw/zinc/27/78/55/570277855.db2.gz GGFFQVPDXBOPGN-UHFFFAOYSA-N 0 0 379.456 4.720 50 10 GJCARN Cc1c([O-])c(C[NH+](C)C)cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 ZINC000002581658 570291291 /nfs/dbraw/zinc/29/12/91/570291291.db2.gz HPGLUAODPLNMOE-UHFFFAOYSA-N 0 0 377.362 4.554 50 10 GJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000103646782 570296261 /nfs/dbraw/zinc/29/62/61/570296261.db2.gz FDCIUUIVDVDDQU-GDNBJRDFSA-N 0 0 382.876 4.977 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004852914 570347793 /nfs/dbraw/zinc/34/77/93/570347793.db2.gz YQZKOUOSWQKKJB-TXPKVOOTSA-N 0 0 381.388 4.728 50 10 GJCARN O=C(Oc1ccc(/C=C2/SC(=S)NC2=O)cc1)c1cccc2ccccc21 ZINC000006244087 570348271 /nfs/dbraw/zinc/34/82/71/570348271.db2.gz HBIPTWYNYDDVAS-LDADJPATSA-N 0 0 391.473 4.548 50 10 GJCARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O ZINC000004164987 570360489 /nfs/dbraw/zinc/36/04/89/570360489.db2.gz RYPCGUFJRBGVJA-KKSFZXQISA-N 0 0 378.453 4.705 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S ZINC000004754590 570402969 /nfs/dbraw/zinc/40/29/69/570402969.db2.gz NWDVMPFEQMNWBW-XDHOZWIPSA-N 0 0 399.537 4.804 50 10 GJCARN Cc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 ZINC000005102431 570429545 /nfs/dbraw/zinc/42/95/45/570429545.db2.gz TZOIMDYALSCWES-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S ZINC000005674991 570450905 /nfs/dbraw/zinc/45/09/05/570450905.db2.gz KLCBPUHSDVOQSZ-GZTJUZNOSA-N 0 0 395.484 4.509 50 10 GJCARN COc1ccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)c2=O)cc1 ZINC000005185281 570497698 /nfs/dbraw/zinc/49/76/98/570497698.db2.gz WMLNZZILBDNROI-OAHLLOKOSA-N 0 0 395.455 4.531 50 10 GJCARN CCN1C(=O)/C(=C/c2ccc(COc3ccc(F)cc3Cl)o2)SC1=S ZINC000002798334 570516431 /nfs/dbraw/zinc/51/64/31/570516431.db2.gz MDGQNXBUDSGBCH-NVNXTCNLSA-N 0 0 397.880 4.872 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)c1 ZINC000006721766 570550173 /nfs/dbraw/zinc/55/01/73/570550173.db2.gz AYPZKFNVJCAHSN-URXFXBBRSA-N 0 0 386.451 4.952 50 10 GJCARN COc1cccc2c1O[C@H](c1ccccc1C)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000006721727 570550455 /nfs/dbraw/zinc/55/04/55/570550455.db2.gz BUUHTXJGCMWZBH-GBXCKJPGSA-N 0 0 386.451 4.952 50 10 GJCARN CN(C)c1ccc([C@H](c2c(O)ccc3ccccc32)n2nnc3ccccc32)cc1 ZINC000005328687 570554394 /nfs/dbraw/zinc/55/43/94/570554394.db2.gz HOGBCRFGLBRZMS-RUZDIDTESA-N 0 0 394.478 4.994 50 10 GJCARN CCOc1ccc(/C=C2/SC(=S)N(CNc3ccc(C)cc3C)C2=O)cc1 ZINC000005332858 570556116 /nfs/dbraw/zinc/55/61/16/570556116.db2.gz TWRUXTNFVQIPNY-XDHOZWIPSA-N 0 0 398.553 4.973 50 10 GJCARN Cc1ccc(C2(c3ccc(C)cc3)OC(=O)C(=Cc3ccccc3)C(=O)O2)cc1 ZINC000005540932 570630425 /nfs/dbraw/zinc/63/04/25/570630425.db2.gz YIKIJUKCTLXINX-UHFFFAOYSA-N 0 0 384.431 4.688 50 10 GJCARN COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004151403 570726958 /nfs/dbraw/zinc/72/69/58/570726958.db2.gz XMQNBARUIWVRMS-UWVAXJGDSA-N 0 0 378.428 4.825 50 10 GJCARN Cc1c(Cl)cccc1NC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000013071626 570745222 /nfs/dbraw/zinc/74/52/22/570745222.db2.gz SROAXYQODGMHRU-MRXNPFEDSA-N 0 0 390.936 4.732 50 10 GJCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccco2)cc1 ZINC000013554260 570758179 /nfs/dbraw/zinc/75/81/79/570758179.db2.gz VTKMGSYJFSCPMA-KIFXHHALSA-N 0 0 396.531 4.634 50 10 GJCARN CCCCN1C(=O)/C(=C/C=C/C=C\N(C(C)=O)c2ccccc2)SC1=S ZINC000005825110 570795333 /nfs/dbraw/zinc/79/53/33/570795333.db2.gz AVGNOKJNQONDNL-UBXXBCOOSA-N 0 0 386.542 4.654 50 10 GJCARN C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)n1C)c1cccc(Cl)c1 ZINC000007130632 570800528 /nfs/dbraw/zinc/80/05/28/570800528.db2.gz GUOIGCLMAUBNKY-CQSZACIVSA-N 0 0 385.920 4.710 50 10 GJCARN CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000006005054 570813472 /nfs/dbraw/zinc/81/34/72/570813472.db2.gz ALZJUYNYMOIOMT-YAFRSCOQSA-N 0 0 388.470 4.855 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(Br)c1 ZINC000101150137 570814598 /nfs/dbraw/zinc/81/45/98/570814598.db2.gz HWWJZUWEYNOQHO-MHWRWJLKSA-N 0 0 390.668 4.821 50 10 GJCARN CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)o3)c2C)cc1 ZINC000007289755 570825443 /nfs/dbraw/zinc/82/54/43/570825443.db2.gz MXLNTCYTYWDUFO-UHFFFAOYSA-N 0 0 397.500 4.728 50 10 GJCARN Oc1ccccc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1cccnc1 ZINC000102907279 570870901 /nfs/dbraw/zinc/87/09/01/570870901.db2.gz MSENSSDQASDNBY-NQIIRXRSSA-N 0 0 377.831 4.683 50 10 GJCARN Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccncc1 ZINC000102907274 570871055 /nfs/dbraw/zinc/87/10/55/570871055.db2.gz KMGMZDOWWQGNPC-RXVVDRJESA-N 0 0 377.831 4.683 50 10 GJCARN Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccn2)cc1 ZINC000102907382 570871331 /nfs/dbraw/zinc/87/13/31/570871331.db2.gz DMMCULBQLJMFAT-CTNGQTDRSA-N 0 0 377.831 4.683 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S ZINC000005715799 570880552 /nfs/dbraw/zinc/88/05/52/570880552.db2.gz BZKHLLKYGVAJPA-RIYZIHGNSA-N 0 0 394.861 4.729 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)c1 ZINC000245311656 570905897 /nfs/dbraw/zinc/90/58/97/570905897.db2.gz PPXLMIPFXDYQTP-REWPJTCUSA-N 0 0 390.414 4.782 50 10 GJCARN Cc1ccc(S(=O)(=O)N2N=C(C(C)(C)C)C[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000032925226 570936677 /nfs/dbraw/zinc/93/66/77/570936677.db2.gz FSPLKNZSRMPXFB-FQEVSTJZSA-N 0 0 399.560 4.599 50 10 GJCARN O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1c1ccc(F)cc1 ZINC000001266344 570951129 /nfs/dbraw/zinc/95/11/29/570951129.db2.gz OGBSHXAFZFYPGB-NTEUORMPSA-N 0 0 381.400 4.833 50 10 GJCARN CC(NCc1ccccc1Cl)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000004741220 570955815 /nfs/dbraw/zinc/95/58/15/570955815.db2.gz YFTXYODASDZGCS-LDADJPATSA-N 0 0 396.903 4.736 50 10 GJCARN COC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccccc1 ZINC000004747474 570958696 /nfs/dbraw/zinc/95/86/96/570958696.db2.gz UCSJYNIIHDEMJW-QHCPKHFHSA-N 0 0 386.403 4.753 50 10 biogenic GJCARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(C)cc1 ZINC000033336067 570989477 /nfs/dbraw/zinc/98/94/77/570989477.db2.gz LHXOSUDNXGZHKO-RCCKNPSSSA-N 0 0 391.467 4.661 50 10 GJCARN COC(=O)c1sccc1NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC000084191422 571007569 /nfs/dbraw/zinc/00/75/69/571007569.db2.gz UHCNUGLVHOLEQU-UHFFFAOYSA-N 0 0 388.876 4.848 50 10 GJCARN Cc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000001777503 212255680 /nfs/dbraw/zinc/25/56/80/212255680.db2.gz FEOIWXFGLSZHMG-UHFFFAOYSA-N 0 0 377.827 4.966 50 10 GJCARN Cc1onc(-c2ccccc2)c1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000001032987 212207388 /nfs/dbraw/zinc/20/73/88/212207388.db2.gz XHNANRQIQYQIGN-UHFFFAOYSA-N 0 0 377.488 4.767 50 10 GJCARN CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2c1N ZINC000001009917 212204396 /nfs/dbraw/zinc/20/43/96/212204396.db2.gz LGNBTVFAKSIGIZ-UHFFFAOYSA-N 0 0 396.390 4.750 50 10 GJCARN CCOC(=O)c1sc2nc(C)c(C(C)=O)c(-c3ccc(Cl)cc3)c2c1N ZINC000000726276 212177461 /nfs/dbraw/zinc/17/74/61/212177461.db2.gz JMPCICFXHOLDLG-UHFFFAOYSA-N 0 0 388.876 4.887 50 10 GJCARN COC(=O)c1ccccc1N[C@@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000000762974 212179396 /nfs/dbraw/zinc/17/93/96/212179396.db2.gz ZPJOAKSLQZOQOG-NRFANRHFSA-N 0 0 384.435 4.929 50 10 GJCARN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[NH+]2CCCCCC2)c1=O ZINC000006920688 212147356 /nfs/dbraw/zinc/14/73/56/212147356.db2.gz CKVGONCYDYPVNK-UHFFFAOYSA-N 0 0 393.483 4.859 50 10 biogenic GJCARN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004073791 212145869 /nfs/dbraw/zinc/14/58/69/212145869.db2.gz KLTRUWFOTALXPO-QFIPXVFZSA-N 0 0 381.435 4.977 50 10 biogenic GJCARN Cc1nn(CC(C)C)c(Cl)c1C=C1SC(Nc2ccc(C)cc2)=NC1=O ZINC000096663341 206301724 /nfs/dbraw/zinc/30/17/24/206301724.db2.gz NAYYNCVHQMGENM-CXUHLZMHSA-N 0 0 388.924 4.892 50 10 GJCARN CCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O ZINC000000801081 206323012 /nfs/dbraw/zinc/32/30/12/206323012.db2.gz AKOYFLRLPAVVCZ-LJQANCHMSA-N 0 0 384.863 4.608 50 10 GJCARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1O ZINC000001007312 206341116 /nfs/dbraw/zinc/34/11/16/206341116.db2.gz RYPCGUFJRBGVJA-IERDGZPVSA-N 0 0 378.453 4.705 50 10 GJCARN CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S ZINC000001177450 206363606 /nfs/dbraw/zinc/36/36/06/206363606.db2.gz GRRANIMYXHXZFC-UYRXBGFRSA-N 0 0 399.537 4.885 50 10 GJCARN CC1CCN(C2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)CC1 ZINC000002414689 206414929 /nfs/dbraw/zinc/41/49/29/206414929.db2.gz GMYJZSMPKGLHAM-QNGOZBTKSA-N 0 0 392.524 4.968 50 10 GJCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccc(Br)cc1 ZINC000005551196 206617320 /nfs/dbraw/zinc/61/73/20/206617320.db2.gz VUSZUVKODXKPJZ-ZROIWOOFSA-N 0 0 377.238 4.671 50 10 GJCARN CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000013476563 206977267 /nfs/dbraw/zinc/97/72/67/206977267.db2.gz SUMWCWFHOHZHHW-ZSOIEALJSA-N 0 0 376.199 4.708 50 10 GJCARN O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 ZINC000015011484 207040692 /nfs/dbraw/zinc/04/06/92/207040692.db2.gz GRQDLTRHEJQBRL-OQLLNIDSSA-N 0 0 390.873 4.650 50 10 GJCARN Cc1ccnc(N[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2O)c1 ZINC000015016408 207041178 /nfs/dbraw/zinc/04/11/78/207041178.db2.gz WRUZNTSXJKBYPR-FQEVSTJZSA-N 0 0 386.411 4.754 50 10 GJCARN O=C1NC(=S)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000015800415 207061964 /nfs/dbraw/zinc/06/19/64/207061964.db2.gz NLVZCDXGSURODM-MFOYZWKCSA-N 0 0 384.913 4.832 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1O ZINC000016688761 207076505 /nfs/dbraw/zinc/07/65/05/207076505.db2.gz CFLULKWQNZYAGV-WQRHYEAKSA-N 0 0 385.510 4.501 50 10 GJCARN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000016694396 207076980 /nfs/dbraw/zinc/07/69/80/207076980.db2.gz NJYZHGYRRKVNDD-UXBLZVDNSA-N 0 0 386.707 4.842 50 10 GJCARN Cc1cccc(C(=O)Nc2cccc(N3CCn4c(nc5ccccc54)C3)c2)c1 ZINC000019855275 207165881 /nfs/dbraw/zinc/16/58/81/207165881.db2.gz OTNIROQVFHUPRZ-UHFFFAOYSA-N 0 0 382.467 4.617 50 10 GJCARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 ZINC000021891923 207241673 /nfs/dbraw/zinc/24/16/73/207241673.db2.gz HOWOSEYUZIFXOR-HSZRJFAPSA-N 0 0 388.515 4.568 50 10 GJCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc21 ZINC000022242134 207251412 /nfs/dbraw/zinc/25/14/12/207251412.db2.gz MCWBZGCPBHXBRP-UHFFFAOYSA-N 0 0 397.324 4.510 50 10 GJCARN CC(C)(C)c1nc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)no1 ZINC000028016122 207333156 /nfs/dbraw/zinc/33/31/56/207333156.db2.gz RIJYHYSLHPBVAB-MRXNPFEDSA-N 0 0 398.532 4.702 50 10 GJCARN COc1cc([C@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)cc(O)c1O ZINC000072405386 208017358 /nfs/dbraw/zinc/01/73/58/208017358.db2.gz PLWYKNVLMODMTA-HXUWFJFHSA-N 0 0 395.484 4.546 50 10 GJCARN Cc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)oc2c1c(C)ccc2C ZINC000084147901 208087498 /nfs/dbraw/zinc/08/74/98/208087498.db2.gz NKBAAQADYOEZON-IBGZPJMESA-N 0 0 393.483 4.885 50 10 GJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Br)c1 ZINC000100535628 208376883 /nfs/dbraw/zinc/37/68/83/208376883.db2.gz ZDIMZLSNZBEEDZ-MHWRWJLKSA-N 0 0 390.668 4.821 50 10 GJCARN CC(=O)[C@H](N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl ZINC000100045260 208371041 /nfs/dbraw/zinc/37/10/41/208371041.db2.gz QTSNFLIDNYOATQ-IWKHNONTSA-N 0 0 395.202 4.582 50 10 GJCARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)ccc(Br)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000230036735 209004624 /nfs/dbraw/zinc/00/46/24/209004624.db2.gz CMUIDCHCXUFPLC-XNJGSVPQSA-N 0 0 387.233 4.889 50 10 GJCARN Cc1csc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1 ZINC000003428774 220643865 /nfs/dbraw/zinc/64/38/65/220643865.db2.gz GXVDECLTFRRHCK-UHFFFAOYSA-N 0 0 386.498 4.563 50 10 GJCARN Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1-c1cccc(F)c1 ZINC000006122249 220921027 /nfs/dbraw/zinc/92/10/27/220921027.db2.gz NYPAVLIJRGNJBZ-UHFFFAOYSA-N 0 0 391.402 4.545 50 10 GJCARN COc1cc2c(cc1NCC(=O)Nc1cccc([N+](=O)[O-])c1)oc1ccccc12 ZINC000011619268 221118758 /nfs/dbraw/zinc/11/87/58/221118758.db2.gz UIIZIMRDBIGVRZ-UHFFFAOYSA-N 0 0 391.383 4.553 50 10 GJCARN CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000013602346 221277445 /nfs/dbraw/zinc/27/74/45/221277445.db2.gz QGWRXIYOCKWCNF-UYRXBGFRSA-N 0 0 388.496 4.682 50 10 GJCARN CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccco2)cc1 ZINC000013554256 221272803 /nfs/dbraw/zinc/27/28/03/221272803.db2.gz VTKMGSYJFSCPMA-BGWNEDDSSA-N 0 0 396.531 4.634 50 10 GJCARN Cc1cccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000013899086 221292807 /nfs/dbraw/zinc/29/28/07/221292807.db2.gz NAOYJGDVIZLJLJ-ZROIWOOFSA-N 0 0 380.416 4.815 50 10 GJCARN CCCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)SC1=S ZINC000017281669 221382561 /nfs/dbraw/zinc/38/25/61/221382561.db2.gz IGPXLFHHZQMKMI-SBLPDQQFSA-N 0 0 382.963 4.878 50 10 GJCARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000017719622 221384890 /nfs/dbraw/zinc/38/48/90/221384890.db2.gz ZVLRRPQGJPIJSP-FIQDDSDUSA-N 0 0 375.428 4.983 50 10 GJCARN COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053364806 222009939 /nfs/dbraw/zinc/00/99/39/222009939.db2.gz DGVHFEQHLWQJBM-GGAORHGYSA-N 0 0 376.431 4.762 50 10 GJCARN COc1cc(C=C2SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)ccc1O ZINC000001452214 570226631 /nfs/dbraw/zinc/22/66/31/570226631.db2.gz ZOKSGBRBJQEDQO-OVCLIPMQSA-N 0 0 394.374 4.502 50 10 GJCARN O=[N+]([O-])c1cccc([C@H](Nc2nccs2)c2ccc3cccnc3c2O)c1 ZINC000001463221 570229979 /nfs/dbraw/zinc/22/99/79/570229979.db2.gz SBJMCERUBAHADF-INIZCTEOSA-N 0 0 378.413 4.507 50 10 GJCARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(N(C)C)cc3)NC(=O)CCN21 ZINC000001023768 570235546 /nfs/dbraw/zinc/23/55/46/570235546.db2.gz UXNSSCNZYKLMHJ-SWDTZWKESA-N 0 0 375.516 4.929 50 10 biogenic GJCARN COc1ccc(C)cc1NC(=O)CNc1cc2oc3ccccc3c2cc1OC ZINC000011619192 570237455 /nfs/dbraw/zinc/23/74/55/570237455.db2.gz GZCYTLIMXOPHHW-UHFFFAOYSA-N 0 0 390.439 4.962 50 10 GJCARN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(Br)o3)S2)cc1 ZINC000005809098 570276786 /nfs/dbraw/zinc/27/67/86/570276786.db2.gz JHLJCFCFHARMOL-LCYFTJDESA-N 0 0 393.262 4.523 50 10 GJCARN O=C(c1ccccc1F)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000005514699 570284085 /nfs/dbraw/zinc/28/40/85/570284085.db2.gz WFFJQLREQBZKLA-NTEUORMPSA-N 0 0 377.849 4.521 50 10 GJCARN CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2OCc2ccccc2F)C(=O)O1 ZINC000002970410 570320834 /nfs/dbraw/zinc/32/08/34/570320834.db2.gz WJFWEGYABLOZNC-UHFFFAOYSA-N 0 0 398.430 4.650 50 10 GJCARN Cc1ccnc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1 ZINC000002978256 570321538 /nfs/dbraw/zinc/32/15/38/570321538.db2.gz CKWCYYXSFATAIE-HXUWFJFHSA-N 0 0 386.411 4.754 50 10 GJCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1c[nH]c2ccccc12 ZINC000604406328 570357957 /nfs/dbraw/zinc/35/79/57/570357957.db2.gz JJZASEBVCWATKQ-UHFFFAOYSA-N 0 0 390.442 4.937 50 10 biogenic GJCARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000004183003 570361687 /nfs/dbraw/zinc/36/16/87/570361687.db2.gz JECRXPLYQIXZIH-NTEUORMPSA-N 0 0 376.846 4.654 50 10 GJCARN O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1C1CCCCC1 ZINC000023410551 570361789 /nfs/dbraw/zinc/36/17/89/570361789.db2.gz MMPASIKIYLGMPB-ZROIWOOFSA-N 0 0 398.347 4.689 50 10 GJCARN CCCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O ZINC000004959833 570382002 /nfs/dbraw/zinc/38/20/02/570382002.db2.gz BUMPAWLVAKLTNJ-HXUWFJFHSA-N 0 0 398.890 4.998 50 10 GJCARN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000010963419 570398272 /nfs/dbraw/zinc/39/82/72/570398272.db2.gz YQUWHUPZPQJEEA-UHFFFAOYSA-N 0 0 399.516 4.579 50 10 GJCARN CCCCCCN1C(=O)C(=CNc2cccc(C(=O)OCC)c2)SC1=S ZINC000005021805 570398509 /nfs/dbraw/zinc/39/85/09/570398509.db2.gz HRRCOVCNDUDPNU-DTQAZKPQSA-N 0 0 392.546 4.557 50 10 GJCARN CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000005102991 570429448 /nfs/dbraw/zinc/42/94/48/570429448.db2.gz YDDVAUOCQQAWPG-MHWRWJLKSA-N 0 0 375.902 4.750 50 10 GJCARN FC(F)(F)c1cc(NC(=S)NCc2ccccn2)cc(C(F)(F)F)c1 ZINC000033808194 570529182 /nfs/dbraw/zinc/52/91/82/570529182.db2.gz SLENHPFYYXWNKA-UHFFFAOYSA-N 0 0 379.329 4.606 50 10 GJCARN COc1cccc2c1O[C@H](c1ccc(C)cc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000006721719 570550309 /nfs/dbraw/zinc/55/03/09/570550309.db2.gz AHMKASKYPKWSJM-GBXCKJPGSA-N 0 0 386.451 4.952 50 10 GJCARN COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000006781013 570588689 /nfs/dbraw/zinc/58/86/89/570588689.db2.gz XOIOWCIFNNJOQR-UHFFFAOYSA-N 0 0 376.456 4.541 50 10 GJCARN CC(C)Oc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000006804324 570607873 /nfs/dbraw/zinc/60/78/73/570607873.db2.gz LFJWCELBQJQVED-UHFFFAOYSA-N 0 0 392.499 4.975 50 10 GJCARN Cc1cccc(C)c1OCC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006804320 570607941 /nfs/dbraw/zinc/60/79/41/570607941.db2.gz CANOLRCKCQHUSA-UHFFFAOYSA-N 0 0 392.499 4.570 50 10 GJCARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)cc1 ZINC000012370122 570647626 /nfs/dbraw/zinc/64/76/26/570647626.db2.gz CSKDDJUGOQNWLT-DHDCSXOGSA-N 0 0 388.495 4.543 50 10 GJCARN CCOc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cccc(OCC)c3O)C2)cc1 ZINC000006949912 570720335 /nfs/dbraw/zinc/72/03/35/570720335.db2.gz VXDRYHHYZZYSNK-NZQKXSOJSA-N 0 0 382.504 4.695 50 10 GJCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@H+]2[C@H](C)CCC[C@@H]2C)c1=O ZINC000013125337 570747484 /nfs/dbraw/zinc/74/74/84/570747484.db2.gz HITBXRASXIBMQP-IYBDPMFKSA-N 0 0 393.483 4.937 50 10 biogenic GJCARN O=C(CCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1cccc(O)c1 ZINC000001050351 570748488 /nfs/dbraw/zinc/74/84/88/570748488.db2.gz XTEQZMVWHIPIEH-SFQUDFHCSA-N 0 0 398.509 4.648 50 10 GJCARN COc1ccc(OC)c(-c2ccc(O)c(CN(C)[C@H](C)c3nccs3)c2)c1 ZINC000064152562 570753591 /nfs/dbraw/zinc/75/35/91/570753591.db2.gz ZMMLXWVOFLDYEP-CQSZACIVSA-N 0 0 384.501 4.726 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000013643909 570766149 /nfs/dbraw/zinc/76/61/49/570766149.db2.gz HTKWLTBYEAQMFL-BOPFTXTBSA-N 0 0 389.473 4.639 50 10 GJCARN C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(c2cccc(O)c2)C1=O ZINC000013691027 570775971 /nfs/dbraw/zinc/77/59/71/570775971.db2.gz BCJDOPHFHFKIPO-NNLQFVHNSA-N 0 0 381.478 4.505 50 10 GJCARN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000006003050 570813031 /nfs/dbraw/zinc/81/30/31/570813031.db2.gz ALZJUYNYMOIOMT-HPUUJOOBSA-N 0 0 388.470 4.855 50 10 GJCARN COc1cccc(-n2c(C)cc(C(=O)N[C@@H](C)c3sc(C)nc3C)c2C)c1 ZINC000065532097 570831714 /nfs/dbraw/zinc/83/17/14/570831714.db2.gz KDPVPIHYXSOXOQ-AWEZNQCLSA-N 0 0 383.517 4.667 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccn2)c1 ZINC000102907335 570871455 /nfs/dbraw/zinc/87/14/55/570871455.db2.gz IZLAKZSVFLVUOQ-UGKGYDQZSA-N 0 0 391.858 4.991 50 10 GJCARN COc1ccc(-n2c(C)cc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)c2C)cc1 ZINC000001120309 570931221 /nfs/dbraw/zinc/93/12/21/570931221.db2.gz PCMLHIDZGPYAFI-FYJGNVAPSA-N 0 0 390.414 4.586 50 10 GJCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000001167207 212224727 /nfs/dbraw/zinc/22/47/27/212224727.db2.gz UWIGMOJDTMRMMG-CPNJWEJPSA-N 0 0 387.395 4.969 50 10 GJCARN Cc1ccnc(N[C@@H](c2ccc3cccnc3c2O)c2ccccc2[N+](=O)[O-])c1 ZINC000001171699 212224533 /nfs/dbraw/zinc/22/45/33/212224533.db2.gz LQKHZFASLJFUJQ-OAQYLSRUSA-N 0 0 386.411 4.754 50 10 GJCARN Cc1ccccc1-c1c(=O)c2cc(C[NH+](C)C)c([O-])c(C)c2oc1C(F)(F)F ZINC000001158990 212224172 /nfs/dbraw/zinc/22/41/72/212224172.db2.gz HCTURZHVKHIMTI-UHFFFAOYSA-N 0 0 391.389 4.863 50 10 GJCARN O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000000986254 212202908 /nfs/dbraw/zinc/20/29/08/212202908.db2.gz JOFYGVGLDWMWPK-AUWJEWJLSA-N 0 0 397.399 4.522 50 10 GJCARN O=C1/C(=C\c2ccc3ncccc3c2)SC(=S)N1CCc1ccccc1 ZINC000009422292 212195521 /nfs/dbraw/zinc/19/55/21/212195521.db2.gz PQDFMYNBDMDPTJ-XMHGGMMESA-N 0 0 376.506 4.679 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2C)c1 ZINC000245295342 206281523 /nfs/dbraw/zinc/28/15/23/206281523.db2.gz CYCMHRYHOVHLML-QPPBQGQZSA-N 0 0 386.451 4.952 50 10 GJCARN CCOc1cc(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1O ZINC000001091318 206350601 /nfs/dbraw/zinc/35/06/01/206350601.db2.gz OZVYZLMIFCZDGN-YVLHZVERSA-N 0 0 388.876 4.835 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c1 ZINC000001294211 206371631 /nfs/dbraw/zinc/37/16/31/206371631.db2.gz NLIVITSAHAYXHA-WQRHYEAKSA-N 0 0 385.510 4.726 50 10 GJCARN Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)cc1 ZINC000010215407 206374163 /nfs/dbraw/zinc/37/41/63/206374163.db2.gz DMMCULBQLJMFAT-PZJWPPBQSA-N 0 0 377.831 4.683 50 10 GJCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccc(Br)cc1 ZINC000001217229 206368347 /nfs/dbraw/zinc/36/83/47/206368347.db2.gz VUSZUVKODXKPJZ-NTEUORMPSA-N 0 0 377.238 4.671 50 10 GJCARN Clc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000004597432 206533361 /nfs/dbraw/zinc/53/33/61/206533361.db2.gz BLGUPKUWXAXMPL-UHFFFAOYSA-N 0 0 378.819 4.565 50 10 GJCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)C12CC3CC(CC(C3)C1)C2 ZINC000004742493 206549826 /nfs/dbraw/zinc/54/98/26/206549826.db2.gz GJAFQBINJSXXDV-UHFFFAOYSA-N 0 0 385.463 4.617 50 10 GJCARN O=C1N[C@H](c2cc(Br)ccc2O)Nc2sc3c(c21)CCCC3 ZINC000035668764 206766105 /nfs/dbraw/zinc/76/61/05/206766105.db2.gz IZLNIGLWIOAYFQ-AWEZNQCLSA-N 0 0 379.279 4.524 50 10 GJCARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000015723985 207056928 /nfs/dbraw/zinc/05/69/28/207056928.db2.gz KISJJJXRBCMBCV-UYRXBGFRSA-N 0 0 387.395 4.969 50 10 GJCARN CC1CCN(CN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)CC1 ZINC000020157621 207181799 /nfs/dbraw/zinc/18/17/99/207181799.db2.gz UKVHWRWCXUNIMN-AQTBWJFISA-N 0 0 388.602 4.875 50 10 GJCARN CCCn1cnc2cc(CNC(=O)c3ccc(-n4c(C)ccc4C)cc3)ccc21 ZINC000064755078 207810296 /nfs/dbraw/zinc/81/02/96/207810296.db2.gz KQZQDSHWALPPLP-UHFFFAOYSA-N 0 0 386.499 4.784 50 10 GJCARN CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000227486701 209001277 /nfs/dbraw/zinc/00/12/77/209001277.db2.gz JRAKMLXXLKDSLP-JTSKRJEESA-N 0 0 376.412 4.626 50 10 GJCARN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O ZINC000004675934 220745534 /nfs/dbraw/zinc/74/55/34/220745534.db2.gz NYCFPWSVFKCNTQ-LZYBPNLTSA-N 0 0 378.856 4.943 50 10 GJCARN O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1cccc(Cl)c1 ZINC000009310463 221076634 /nfs/dbraw/zinc/07/66/34/221076634.db2.gz BJYYRBDBWBBSTC-YRNVUSSQSA-N 0 0 382.875 4.716 50 10 GJCARN CCc1ccc2oc(-c3cc(NS(=O)(=O)c4ccccc4)ccc3O)nc2c1 ZINC000008991566 221067861 /nfs/dbraw/zinc/06/78/61/221067861.db2.gz WGIBSXXVUQISQG-UHFFFAOYSA-N 0 0 394.452 4.564 50 10 GJCARN COc1cc2c(cc1NCc1cc(=O)n3c(C)csc3n1)oc1ccccc12 ZINC000011619397 221119034 /nfs/dbraw/zinc/11/90/34/221119034.db2.gz AVZIKGYSOFFAEG-UHFFFAOYSA-N 0 0 391.452 4.585 50 10 GJCARN O=C1/C(=C/c2ccccc2OC(F)F)SC(=S)N1c1ccc(F)cc1 ZINC000012619198 221215320 /nfs/dbraw/zinc/21/53/20/221215320.db2.gz KOLUDRIUPFIIAI-ZROIWOOFSA-N 0 0 381.400 4.833 50 10 GJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S ZINC000013540339 221272132 /nfs/dbraw/zinc/27/21/32/221272132.db2.gz WHJXWLVCNUSNND-UVIBUBJOSA-N 0 0 381.522 4.972 50 10 GJCARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000013810043 221291061 /nfs/dbraw/zinc/29/10/61/221291061.db2.gz DKXNHVYZQOPMLT-AQTBWJFISA-N 0 0 396.537 4.533 50 10 GJCARN O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 ZINC000101640242 136193007 /nfs/dbraw/zinc/19/30/07/136193007.db2.gz PPHLXSUAQQATPK-PSBWJHGTSA-N 0 0 385.463 4.764 50 10 GJCARN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1ccccc1 ZINC000056965585 222028356 /nfs/dbraw/zinc/02/83/56/222028356.db2.gz LVGVULFPCNRCDV-UHFFFAOYSA-N 0 0 389.480 4.922 50 10 GJCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000049593126 222000296 /nfs/dbraw/zinc/00/02/96/222000296.db2.gz PUIGLQAWVVIUDO-FZOVEGBXSA-N 0 0 390.512 4.878 50 10 GJCARN COc1cccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3ccccc3O)C2)c1 ZINC000053363374 222009544 /nfs/dbraw/zinc/00/95/44/222009544.db2.gz OXDFTLCPJVXGBN-GMAHTHKFSA-N 0 0 376.431 4.762 50 10 GJCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 ZINC000102716297 222485272 /nfs/dbraw/zinc/48/52/72/222485272.db2.gz IMAOZMFJFLHRPW-NRFANRHFSA-N 0 0 387.439 4.806 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)c1 ZINC000006721767 518156802 /nfs/dbraw/zinc/15/68/02/518156802.db2.gz PPXLMIPFXDYQTP-NZQKXSOJSA-N 0 0 390.414 4.782 50 10 GJCARN CC1CC[NH+](Cc2c([O-])c(C(=O)NCc3ccccc3)cc3ccccc32)CC1 ZINC000006053119 570229467 /nfs/dbraw/zinc/22/94/67/570229467.db2.gz GAIVGOMFZMDIOQ-UHFFFAOYSA-N 0 0 388.511 4.707 50 10 GJCARN COc1ccc(NC2(c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 ZINC000000970410 570232179 /nfs/dbraw/zinc/23/21/79/570232179.db2.gz FKGBNJGNLSFMAF-UHFFFAOYSA-N 0 0 377.827 4.735 50 10 GJCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000100147849 570267644 /nfs/dbraw/zinc/26/76/44/570267644.db2.gz VXUHNUSAQAZSMP-RIYZIHGNSA-N 0 0 376.199 4.708 50 10 GJCARN Cc1ccnc(N[C@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)c1 ZINC000002470370 570288009 /nfs/dbraw/zinc/28/80/09/570288009.db2.gz XFTMHNBUYOONGV-JOCHJYFZSA-N 0 0 384.483 4.911 50 10 GJCARN COc1cc(OC)cc(C(=O)Oc2ccc(Cl)cc2-n2c(C)ccc2C)c1 ZINC000000686336 570291609 /nfs/dbraw/zinc/29/16/09/570291609.db2.gz FPNLTOSGDDMRDS-UHFFFAOYSA-N 0 0 385.847 4.984 50 10 GJCARN Cc1cccc(OCCCOc2ccc(C)cc2C=C2SC(=S)NC2=O)c1 ZINC000002811658 570304123 /nfs/dbraw/zinc/30/41/23/570304123.db2.gz QPXYXDFZUHITFU-UYRXBGFRSA-N 0 0 399.537 4.640 50 10 GJCARN CCCCc1ccc(NC(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000002835280 570306070 /nfs/dbraw/zinc/30/60/70/570306070.db2.gz SRUVVUBHDGQYJI-UHFFFAOYSA-N 0 0 383.561 4.557 50 10 GJCARN O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000006221525 570343933 /nfs/dbraw/zinc/34/39/33/570343933.db2.gz LZHOYZRUXMTTRY-NVNXTCNLSA-N 0 0 379.865 4.547 50 10 GJCARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccccc2O)cc1 ZINC000004913311 570363572 /nfs/dbraw/zinc/36/35/72/570363572.db2.gz FWUPIILAYHDHCQ-QFIPXVFZSA-N 0 0 384.435 4.642 50 10 GJCARN CN(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc1 ZINC000004913681 570363753 /nfs/dbraw/zinc/36/37/53/570363753.db2.gz LEVOIKJTRLSWOE-KUHUBIRLSA-N 0 0 383.561 4.819 50 10 GJCARN CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000004247917 570363992 /nfs/dbraw/zinc/36/39/92/570363992.db2.gz LIYSJJYEQVFMJQ-XMMPIXPASA-N 0 0 386.451 4.669 50 10 GJCARN CSc1ccc(/C=C2\C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc1 ZINC000033679992 570396822 /nfs/dbraw/zinc/39/68/22/570396822.db2.gz GBNNQLJFWQHTFH-WZBMNHFVSA-N 0 0 395.484 4.852 50 10 GJCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(C(F)(F)F)c1 ZINC000005192678 570499218 /nfs/dbraw/zinc/49/92/18/570499218.db2.gz KEPHYBCLPKNTBG-UHFFFAOYSA-N 0 0 395.336 4.733 50 10 GJCARN CCCN1C(=O)/C(=C/C=C2\Sc3ccc(Cl)cc3N2C)SC1=S ZINC000033926884 570508436 /nfs/dbraw/zinc/50/84/36/570508436.db2.gz IGPXLFHHZQMKMI-POIBIGJCSA-N 0 0 382.963 4.878 50 10 GJCARN O=C1/C(=C\c2ccco2)C(c2ccccc2)=NN1c1cccc(Br)c1 ZINC000101525184 570542620 /nfs/dbraw/zinc/54/26/20/570542620.db2.gz SKSVUKZUBYVTNZ-AQTBWJFISA-N 0 0 393.240 4.877 50 10 GJCARN COc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 ZINC000034798751 570544382 /nfs/dbraw/zinc/54/43/82/570544382.db2.gz XOJHLMWXKGQLKK-DTRPCSQLSA-N 0 0 396.516 4.675 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)c1 ZINC000006721695 570550460 /nfs/dbraw/zinc/55/04/60/570550460.db2.gz VOEHNIYCICPPPJ-SIKLNZKXSA-N 0 0 391.858 4.991 50 10 GJCARN CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)cc(-c3ccco3)c2c1N ZINC000004335388 570581326 /nfs/dbraw/zinc/58/13/26/570581326.db2.gz BLWBDNVKTCFMNM-UHFFFAOYSA-N 0 0 394.452 4.991 50 10 GJCARN COCCCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 ZINC000006782045 570589485 /nfs/dbraw/zinc/58/94/85/570589485.db2.gz UNWFKVHQWJMAPV-UHFFFAOYSA-N 0 0 388.511 4.789 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccc(F)cc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000169681525 570602098 /nfs/dbraw/zinc/60/20/98/570602098.db2.gz NAACHQHLZYGKBJ-CVDCTZTESA-N 0 0 390.414 4.782 50 10 GJCARN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1cccc(Br)c1 ZINC000005551149 570632163 /nfs/dbraw/zinc/63/21/63/570632163.db2.gz KEIBGFUTCLVTCK-ZROIWOOFSA-N 0 0 377.238 4.671 50 10 GJCARN Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000006831302 570634806 /nfs/dbraw/zinc/63/48/06/570634806.db2.gz SJNJGEBJLQSANF-UHFFFAOYSA-N 0 0 395.315 4.504 50 10 GJCARN COc1cccc(CNC(=O)c2ccc(-n3c(C)cc4c3CC[C@H](C)C4)cc2)c1 ZINC000006877962 570669324 /nfs/dbraw/zinc/66/93/24/570669324.db2.gz QZHPTKYIQBXVON-KRWDZBQOSA-N 0 0 388.511 4.849 50 10 GJCARN CCOc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cccc(OCC)c3O)C2)cc1 ZINC000006949919 570720368 /nfs/dbraw/zinc/72/03/68/570720368.db2.gz VXDRYHHYZZYSNK-NFBKMPQASA-N 0 0 382.504 4.695 50 10 GJCARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)OC1CCCCC1 ZINC000000952279 570737545 /nfs/dbraw/zinc/73/75/45/570737545.db2.gz ODWKPHMSNGAZTH-UHFFFAOYSA-N 0 0 378.424 4.715 50 10 GJCARN CSc1c(C(=O)Nc2ccc(C)cc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004451899 570783989 /nfs/dbraw/zinc/78/39/89/570783989.db2.gz XTPHTPQRSGZTOX-UHFFFAOYSA-N 0 0 387.460 4.745 50 10 GJCARN CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(F)cc4)N=C3C)sc2c1 ZINC000101125461 570815835 /nfs/dbraw/zinc/81/58/35/570815835.db2.gz HTOUWIYKFUDZHI-LFIBNONCSA-N 0 0 396.447 4.553 50 10 GJCARN Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccccc3O)cc2)o1 ZINC000042116964 570834864 /nfs/dbraw/zinc/83/48/64/570834864.db2.gz AEHMVQCRIAVRTF-UHFFFAOYSA-N 0 0 399.450 4.690 50 10 GJCARN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007423160 570840803 /nfs/dbraw/zinc/84/08/03/570840803.db2.gz UQVMQFMFKBWLOK-UHFFFAOYSA-N 0 0 391.418 4.837 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccc(C)o1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000102907442 570871363 /nfs/dbraw/zinc/87/13/63/570871363.db2.gz WGQAQINZRNBPFZ-VGSWGCGISA-N 0 0 376.412 4.545 50 10 GJCARN Cc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729270 570884135 /nfs/dbraw/zinc/88/41/35/570884135.db2.gz QCAOPKFFIRDREG-QUCCMNQESA-N 0 0 387.321 4.969 50 10 GJCARN CCN(CC)c1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 ZINC000004733070 570947634 /nfs/dbraw/zinc/94/76/34/570947634.db2.gz CMPLDWHPJJCOQV-YEXLONIWSA-N 0 0 389.543 4.560 50 10 GJCARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000033330546 570986612 /nfs/dbraw/zinc/98/66/12/570986612.db2.gz HHBILYJAASNZAK-RIYZIHGNSA-N 0 0 394.290 4.994 50 10 GJCARN CCN1c2ccccc2O/C1=C\C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000004797777 570994152 /nfs/dbraw/zinc/99/41/52/570994152.db2.gz KHCYVJJRVIYFQI-MZGHLJKDSA-N 0 0 380.494 4.696 50 10 GJCARN CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000001194697 212228636 /nfs/dbraw/zinc/22/86/36/212228636.db2.gz LAHHOEUNNUXFEL-JYRVWZFOSA-N 0 0 380.288 4.540 50 10 GJCARN COc1cccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c1O ZINC000001188383 212226887 /nfs/dbraw/zinc/22/68/87/212226887.db2.gz JAVMHXOTFVMGAM-MDWZMJQESA-N 0 0 377.227 4.514 50 10 GJCARN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3CCCCCC3)c2=O)cc1 ZINC000020358633 212150904 /nfs/dbraw/zinc/15/09/04/212150904.db2.gz XMTHQGHMGRJCNY-UHFFFAOYSA-N 0 0 379.456 4.550 50 10 biogenic GJCARN O=C1/C(=C/c2ccc(OC(F)F)cc2)SC(=S)N1Cc1ccccc1 ZINC000001465881 206248027 /nfs/dbraw/zinc/24/80/27/206248027.db2.gz NWUIXIWUWPGIGX-GDNBJRDFSA-N 0 0 377.437 4.689 50 10 GJCARN COC(=O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000000762975 206320919 /nfs/dbraw/zinc/32/09/19/206320919.db2.gz ZPJOAKSLQZOQOG-OAQYLSRUSA-N 0 0 384.435 4.929 50 10 GJCARN COc1ccc(NC(=O)c2c3c(sc2NCc2ccccn2)CCC3)cc1 ZINC000000798213 206322120 /nfs/dbraw/zinc/32/21/20/206322120.db2.gz RSVJERYFDJHENX-UHFFFAOYSA-N 0 0 379.485 4.505 50 10 GJCARN CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccccc3C)c2)SC1=S ZINC000001019077 206341857 /nfs/dbraw/zinc/34/18/57/206341857.db2.gz CIDLJRHMFIVLGG-UNOMPAQXSA-N 0 0 399.537 4.804 50 10 GJCARN COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)ccc1O ZINC000010215497 206374672 /nfs/dbraw/zinc/37/46/72/206374672.db2.gz XIXKRWXSECZWSH-DYESRHJHSA-N 0 0 378.453 4.705 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccc(C)o1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000010215862 206374960 /nfs/dbraw/zinc/37/49/60/206374960.db2.gz WGQAQINZRNBPFZ-JTSKRJEESA-N 0 0 376.412 4.545 50 10 GJCARN Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1C ZINC000001252298 206371016 /nfs/dbraw/zinc/37/10/16/206371016.db2.gz GOPURCMXECSBEM-AQTBWJFISA-N 0 0 396.537 4.533 50 10 GJCARN Cc1cc(C)cc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000002882400 206443860 /nfs/dbraw/zinc/44/38/60/206443860.db2.gz XSNUXCFLIFVVSJ-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CC(C)Nc1cc(Nc2ccc(F)cc2)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000005482818 206615349 /nfs/dbraw/zinc/61/53/49/206615349.db2.gz MTWSRZRPYIIMOP-UHFFFAOYSA-N 0 0 389.430 4.747 50 10 GJCARN O=C1C(=Cc2ccc(F)cc2)SC(=S)N1N=c1[nH]c2ccccc2s1 ZINC000009914680 206804856 /nfs/dbraw/zinc/80/48/56/206804856.db2.gz FBILODKMINIUQW-ZROIWOOFSA-N 0 0 387.486 4.664 50 10 GJCARN Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000015008563 207039930 /nfs/dbraw/zinc/03/99/30/207039930.db2.gz DWFKWTIEQKAJFK-GIJQJNRQSA-N 0 0 394.477 4.611 50 10 GJCARN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1Cc1ccccc1 ZINC000015769450 207059666 /nfs/dbraw/zinc/05/96/66/207059666.db2.gz ZINMHTPBJNZXPT-OQLLNIDSSA-N 0 0 390.873 4.650 50 10 GJCARN CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)cc1 ZINC000020037288 207174076 /nfs/dbraw/zinc/17/40/76/207174076.db2.gz SRQCQJGJNQKFQN-FNYLDBEHSA-N 0 0 390.512 4.824 50 10 GJCARN O=C1N=C(Nc2ccccc2)SC1=Cc1ccc(OCc2ccncc2)cc1 ZINC000098054928 208367362 /nfs/dbraw/zinc/36/73/62/208367362.db2.gz OGRUQARZOMCOHH-ZHZULCJRSA-N 0 0 387.464 4.743 50 10 GJCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000100552370 208377419 /nfs/dbraw/zinc/37/74/19/208377419.db2.gz WZTLFVXUZWWMKF-GDNBJRDFSA-N 0 0 382.876 4.977 50 10 GJCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000100163510 208373042 /nfs/dbraw/zinc/37/30/42/208373042.db2.gz LQTLTCPSJZGSBM-SAPNQHFASA-N 0 0 390.512 4.949 50 10 GJCARN Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100501236 208375437 /nfs/dbraw/zinc/37/54/37/208375437.db2.gz AEEDXFZQPFBBDE-YBEGLDIGSA-N 0 0 384.823 4.584 50 10 GJCARN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000003864202 220669001 /nfs/dbraw/zinc/66/90/01/220669001.db2.gz YNBUEGMAGPIROI-ILUQACKLSA-N 0 0 384.848 4.629 50 10 GJCARN CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c1C ZINC000004150620 220686921 /nfs/dbraw/zinc/68/69/21/220686921.db2.gz LYZDLFHYFZXIBV-FNGBSHHDSA-N 0 0 390.512 4.824 50 10 GJCARN CCOc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000009228709 221075109 /nfs/dbraw/zinc/07/51/09/221075109.db2.gz AVSMDZOXENPQFU-UHFFFAOYSA-N 0 0 381.451 4.954 50 10 GJCARN Oc1ccc(Cl)cc1CN1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000012190846 221165430 /nfs/dbraw/zinc/16/54/30/221165430.db2.gz UVQUDMLRMNJVSI-UHFFFAOYSA-N 0 0 387.888 4.874 50 10 GJCARN O=C(Oc1cccc(/C=C2\SC(=S)NC2=O)c1)c1cccc2ccccc21 ZINC000015769805 221343517 /nfs/dbraw/zinc/34/35/17/221343517.db2.gz IJQTXOSIGORDOZ-PDGQHHTCSA-N 0 0 391.473 4.548 50 10 GJCARN O=C1NC(=S)S/C1=C\c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000016225701 221359402 /nfs/dbraw/zinc/35/94/02/221359402.db2.gz HYCAPMVKEYHWAJ-NVNXTCNLSA-N 0 0 379.865 4.547 50 10 GJCARN CCOc1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCC5)cc1 ZINC000002124906 136193445 /nfs/dbraw/zinc/19/34/45/136193445.db2.gz HCGZHWSSPNOWPX-UHFFFAOYSA-N 0 0 391.467 4.735 50 10 biogenic GJCARN CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OCC ZINC000023402558 221596972 /nfs/dbraw/zinc/59/69/72/221596972.db2.gz BDMDFZDNSIDGIA-WQRHYEAKSA-N 0 0 384.863 4.944 50 10 GJCARN Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(C3CCCCC3)SC2=NC1=O ZINC000055498180 222021862 /nfs/dbraw/zinc/02/18/62/222021862.db2.gz UHXODXFAZMCQCM-JUVBEIPNSA-N 0 0 391.500 4.676 50 10 GJCARN COc1ccccc1NCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S ZINC000059372392 222055577 /nfs/dbraw/zinc/05/55/77/222055577.db2.gz VFAUWXVEZLKNJZ-YBEGLDIGSA-N 0 0 390.917 4.619 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccn2)c1 ZINC000102907337 222486335 /nfs/dbraw/zinc/48/63/35/222486335.db2.gz IZLAKZSVFLVUOQ-KNQAVFIVSA-N 0 0 391.858 4.991 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000102907460 222486930 /nfs/dbraw/zinc/48/69/30/222486930.db2.gz GZAQNVKHLVZTIJ-VGSWGCGISA-N 0 0 376.412 4.545 50 10 GJCARN COc1cccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cl)c1O ZINC000071817165 536913331 /nfs/dbraw/zinc/91/33/31/536913331.db2.gz JGYNKFQSJRBRGV-NRFANRHFSA-N 0 0 394.858 4.850 50 10 GJCARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3 ZINC000019800094 570220344 /nfs/dbraw/zinc/22/03/44/570220344.db2.gz LGEMGRJHQBCNPF-ZDUSSCGKSA-N 0 0 375.896 4.795 50 10 GJCARN COc1ccccc1NC(=O)CNc1cc2oc3ccccc3c2cc1OC ZINC000011619245 570237709 /nfs/dbraw/zinc/23/77/09/570237709.db2.gz KNENNTSULKACJN-UHFFFAOYSA-N 0 0 376.412 4.654 50 10 GJCARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@@H+]2CCCC[C@@H]2C)c1[O-] ZINC000004824778 570292217 /nfs/dbraw/zinc/29/22/17/570292217.db2.gz FOSBHTHVGCKDJJ-AWEZNQCLSA-N 0 0 398.528 4.867 50 10 GJCARN Cc1cccc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1C ZINC000002874325 570314420 /nfs/dbraw/zinc/31/44/20/570314420.db2.gz VCLCXFONCAPOGN-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN Cc1cccc(OCCCOc2ccc(C=C3SC(=S)NC3=O)cc2)c1C ZINC000002882752 570316113 /nfs/dbraw/zinc/31/61/13/570316113.db2.gz WANQDSAXFZJBQQ-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=N)S1 ZINC000004909062 570362039 /nfs/dbraw/zinc/36/20/39/570362039.db2.gz QMJLXQXSVOCBBG-JXTMRIRHSA-N 0 0 397.891 4.550 50 10 GJCARN CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1N(C)C[C@@H]1CCCO1 ZINC000005193172 570431265 /nfs/dbraw/zinc/43/12/65/570431265.db2.gz XCQBMQVVMZIJLZ-INIZCTEOSA-N 0 0 380.485 4.568 50 10 GJCARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3[N+](=O)[O-])c(O)c2n1 ZINC000006614237 570484800 /nfs/dbraw/zinc/48/48/00/570484800.db2.gz NGFANJMUYJCQEL-NRFANRHFSA-N 0 0 386.411 4.754 50 10 GJCARN CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=CNc1cccc(C)c1 ZINC000006815706 570494917 /nfs/dbraw/zinc/49/49/17/570494917.db2.gz KHOGRNRQHWYCML-BOPFTXTBSA-N 0 0 384.277 4.784 50 10 GJCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000030904724 570501021 /nfs/dbraw/zinc/50/10/21/570501021.db2.gz IPOGJLOCODZXKO-ICZFKYGZSA-N 0 0 398.875 4.875 50 10 GJCARN COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccc(C)cc2)cc1 ZINC000005252450 570529368 /nfs/dbraw/zinc/52/93/68/570529368.db2.gz ITENUEVJUQVNBK-JOCHJYFZSA-N 0 0 386.451 4.701 50 10 GJCARN O=C1/C(=C/c2ccccc2Br)SC(=S)N1C1CCCCC1 ZINC000009187957 570550929 /nfs/dbraw/zinc/55/09/29/570550929.db2.gz NQHNBWLYWTVULT-UVTDQMKNSA-N 0 0 382.348 4.983 50 10 GJCARN Oc1ccc(Cl)cc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1O ZINC000036245359 570580307 /nfs/dbraw/zinc/58/03/07/570580307.db2.gz NLTGNERBKOJUKG-HXUWFJFHSA-N 0 0 377.831 4.896 50 10 GJCARN COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000006781010 570588600 /nfs/dbraw/zinc/58/86/00/570588600.db2.gz ORRRSORWWAULSO-UHFFFAOYSA-N 0 0 376.456 4.541 50 10 GJCARN Cc1cc(C(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1 ZINC000006781051 570589041 /nfs/dbraw/zinc/58/90/41/570589041.db2.gz HAIVKUPGLPCWEA-UHFFFAOYSA-N 0 0 397.272 4.678 50 10 GJCARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)SC1=S ZINC000003218940 570598538 /nfs/dbraw/zinc/59/85/38/570598538.db2.gz QZGXBJMMYJRLSD-YBEGLDIGSA-N 0 0 376.934 4.969 50 10 GJCARN COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000001126227 570712087 /nfs/dbraw/zinc/71/20/87/570712087.db2.gz LLTPKHKUVMJALE-VBKFSLOCSA-N 0 0 399.899 4.939 50 10 GJCARN CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000005913607 570803595 /nfs/dbraw/zinc/80/35/95/570803595.db2.gz FDHUCMYSCXQQRP-MHWRWJLKSA-N 0 0 375.902 4.750 50 10 GJCARN Cc1cc(C(=O)COc2ncnc3ccccc32)c(C)n1-c1ccc(C)c(C)c1 ZINC000003288521 570852253 /nfs/dbraw/zinc/85/22/53/570852253.db2.gz MBMBXUJOYBLFHP-UHFFFAOYSA-N 0 0 385.467 4.916 50 10 GJCARN Cc1cc(C(=O)[C@@H](C)Sc2nnc(N)s2)c(C)n1-c1ccc(Cl)cc1 ZINC000003343828 570859619 /nfs/dbraw/zinc/85/96/19/570859619.db2.gz KMAIPRILWBNXJI-LLVKDONJSA-N 0 0 392.937 4.545 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cccnc1 ZINC000102907346 570871509 /nfs/dbraw/zinc/87/15/09/570871509.db2.gz JBHKJBUTZBUJDZ-WIYYLYMNSA-N 0 0 377.831 4.683 50 10 GJCARN Cc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 ZINC000006476337 570938061 /nfs/dbraw/zinc/93/80/61/570938061.db2.gz GUEISZAAYPIEKR-ODLFYWEKSA-N 0 0 379.506 4.715 50 10 GJCARN CC(C)[S@](=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 ZINC000170644491 570980822 /nfs/dbraw/zinc/98/08/22/570980822.db2.gz QBJHAPYTSPOHAJ-MHZLTWQESA-N 0 0 384.545 4.835 50 10 GJCARN Cc1ccc(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)cc1[N+](=O)[O-] ZINC000001200930 212227677 /nfs/dbraw/zinc/22/76/77/212227677.db2.gz YLVYPYAOQFXXQJ-SXGWCWSVSA-N 0 0 387.848 4.947 50 10 GJCARN O=C1/C(=C/c2cccs2)SC(=S)N1c1cccc(Br)c1 ZINC000001191623 212226449 /nfs/dbraw/zinc/22/64/49/212226449.db2.gz OAHQWRBAGGWDKT-WQLSENKSSA-N 0 0 382.329 4.916 50 10 GJCARN O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)SC(=S)N1c1ccccc1 ZINC000001126628 212220477 /nfs/dbraw/zinc/22/04/77/212220477.db2.gz LXCINTLRXJCPQS-AQTBWJFISA-N 0 0 384.501 4.832 50 10 GJCARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000001009679 212204842 /nfs/dbraw/zinc/20/48/42/212204842.db2.gz DDYBRHBWQWKDJY-AQTBWJFISA-N 0 0 384.526 4.557 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000000712608 212176827 /nfs/dbraw/zinc/17/68/27/212176827.db2.gz LHXOSUDNXGZHKO-QNGOZBTKSA-N 0 0 391.467 4.661 50 10 GJCARN COC(=O)c1ccccc1-c1ccc(/C=C2\C(C)=NN(c3ccccc3)C2=O)o1 ZINC000000666785 212170357 /nfs/dbraw/zinc/17/03/57/212170357.db2.gz PJKOSSHMRUAAGZ-XSFVSMFZSA-N 0 0 386.407 4.539 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2F)c1 ZINC000245294929 206281534 /nfs/dbraw/zinc/28/15/34/206281534.db2.gz CCYNBASWDMTMNY-OFNKIYASSA-N 0 0 390.414 4.782 50 10 GJCARN CC[NH+](CC)Cc1c([O-])ccc2cc(-c3nc4ccccc4s3)c(=O)oc21 ZINC000001168240 206291353 /nfs/dbraw/zinc/29/13/53/206291353.db2.gz GFQUYBNUNMCHCH-UHFFFAOYSA-N 0 0 380.469 4.617 50 10 biogenic GJCARN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)c2=O)cc1 ZINC000020411728 206296839 /nfs/dbraw/zinc/29/68/39/206296839.db2.gz PYJVKFYMNGEDKC-OAHLLOKOSA-N 0 0 379.456 4.549 50 10 biogenic GJCARN O=C1/C(=C\c2ccc3cccc(Cl)c3n2)SC(=S)N1c1cccc(O)c1 ZINC000009420890 206333880 /nfs/dbraw/zinc/33/38/80/206333880.db2.gz OGDLUPWHQZTHIC-CXUHLZMHSA-N 0 0 398.896 5.000 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1Cl ZINC000001136773 206358234 /nfs/dbraw/zinc/35/82/34/206358234.db2.gz LZTXORKZJANVTP-NVNXTCNLSA-N 0 0 379.865 4.894 50 10 GJCARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000001146994 206360208 /nfs/dbraw/zinc/36/02/08/206360208.db2.gz FGEPKZAIDKJYQO-YQNUULROSA-N 0 0 379.506 4.968 50 10 GJCARN COC(=O)c1ccccc1OCC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000003305350 206469096 /nfs/dbraw/zinc/46/90/96/206469096.db2.gz XETKFOWDPAHVDA-UHFFFAOYSA-N 0 0 397.858 4.796 50 10 GJCARN CCCC(=O)Nc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000006589816 206656345 /nfs/dbraw/zinc/65/63/45/206656345.db2.gz YUYUIJATOZQHML-UHFFFAOYSA-N 0 0 393.512 4.801 50 10 GJCARN C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 ZINC000011915286 206843481 /nfs/dbraw/zinc/84/34/81/206843481.db2.gz VKPKSQGVWPHTQO-MFEWGUEZSA-N 0 0 399.493 4.533 50 10 GJCARN COc1ccccc1/C=C1\SC(N2CCC(Cc3ccccc3)CC2)=NC1=O ZINC000013547712 206979606 /nfs/dbraw/zinc/97/96/06/206979606.db2.gz IVUVRXUPILDYMY-PGMHBOJBSA-N 0 0 392.524 4.620 50 10 GJCARN CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1 ZINC000014010493 207008200 /nfs/dbraw/zinc/00/82/00/207008200.db2.gz GPBMEWGGRLPYCP-STZFKDTASA-N 0 0 391.467 4.579 50 10 GJCARN Cc1cccc(COc2ccc(Cl)cc2C=C2SC(=S)NC2=O)c1 ZINC000013897355 207004254 /nfs/dbraw/zinc/00/42/54/207004254.db2.gz INEDAYNQACDDNW-SXGWCWSVSA-N 0 0 375.902 4.716 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(CNc3c(C)cccc3C)C2=O)cc1 ZINC000014921513 207031915 /nfs/dbraw/zinc/03/19/15/207031915.db2.gz YZHWEZWIEHBBPO-GZTJUZNOSA-N 0 0 384.526 4.583 50 10 GJCARN C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000016156656 207073686 /nfs/dbraw/zinc/07/36/86/207073686.db2.gz JCQGIVSDDJGSEY-YQNUULROSA-N 0 0 379.506 4.795 50 10 GJCARN CCOC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1 ZINC000027644742 207328370 /nfs/dbraw/zinc/32/83/70/207328370.db2.gz FAXDYHYYJZFJIL-NRFANRHFSA-N 0 0 399.450 4.714 50 10 GJCARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccn1 ZINC000100423258 208377425 /nfs/dbraw/zinc/37/74/25/208377425.db2.gz GSYIXYDUBXKDML-AQTBWJFISA-N 0 0 377.473 4.580 50 10 GJCARN CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100249945 208373517 /nfs/dbraw/zinc/37/35/17/208373517.db2.gz JZZMLZGTKNQNQI-WJDWOHSUSA-N 0 0 376.243 4.686 50 10 GJCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000000971232 220472012 /nfs/dbraw/zinc/47/20/12/220472012.db2.gz XWPAVFSXCWNDDE-ZSOIEALJSA-N 0 0 376.846 4.654 50 10 GJCARN Cc1cc(C(=O)[C@H](C)OC(=O)C=Cc2cccs2)c(C)n1-c1ccccc1 ZINC000032876704 208993813 /nfs/dbraw/zinc/99/38/13/208993813.db2.gz OQEXUSWZGFSFFB-FLVLSHQESA-N 0 0 379.481 4.983 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(C)c2)c1 ZINC000006721771 220953079 /nfs/dbraw/zinc/95/30/79/220953079.db2.gz PEAGFEBFVJEZSC-XUZZJYLKSA-N 0 0 386.451 4.952 50 10 GJCARN CN(C)c1ccc(CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000012554238 221205579 /nfs/dbraw/zinc/20/55/79/221205579.db2.gz FVYMMFHZUODDPY-DEOSSOPVSA-N 0 0 383.495 4.948 50 10 GJCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1cccc(Br)c1 ZINC000013714892 221283532 /nfs/dbraw/zinc/28/35/32/221283532.db2.gz ODQZNTJYYVGSOL-ZSOIEALJSA-N 0 0 394.290 4.994 50 10 GJCARN COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c1 ZINC000016694322 221369408 /nfs/dbraw/zinc/36/94/08/221369408.db2.gz YYMBDWGNAYARCZ-DHDCSXOGSA-N 0 0 391.254 4.817 50 10 GJCARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)c1 ZINC000020070889 221471635 /nfs/dbraw/zinc/47/16/35/221471635.db2.gz KHAAOUWXXPDLFC-QPPBQGQZSA-N 0 0 386.451 4.952 50 10 GJCARN Cc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000662026 136192922 /nfs/dbraw/zinc/19/29/22/136192922.db2.gz UWPBTWZZLKXTCT-MOSHPQCFSA-N 0 0 395.890 4.736 50 10 GJCARN COc1ccc(C2=N[C@H](c3sccc3C)N[C@H](c3ccccc3O)C2)cc1 ZINC000058083360 222039805 /nfs/dbraw/zinc/03/98/05/222039805.db2.gz GMAOTWMTZDGREZ-UGKGYDQZSA-N 0 0 378.497 4.993 50 10 GJCARN Cc1ccc(OCCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1C ZINC000002874379 570314512 /nfs/dbraw/zinc/31/45/12/570314512.db2.gz OQCOWMOJINCLRG-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN Cc1c(Cl)cccc1N1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O ZINC000002944681 570319078 /nfs/dbraw/zinc/31/90/78/570319078.db2.gz IAXWPNOOAHBSOE-UHFFFAOYSA-N 0 0 378.815 4.824 50 10 GJCARN O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000033441361 570350181 /nfs/dbraw/zinc/35/01/81/570350181.db2.gz AILJZEWLLZKSJO-ZSOIEALJSA-N 0 0 394.836 4.793 50 10 GJCARN COc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC ZINC000004139997 570359369 /nfs/dbraw/zinc/35/93/69/570359369.db2.gz KVIWTXYWCVKZLF-OAQYLSRUSA-N 0 0 387.439 4.554 50 10 GJCARN CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000004247916 570364249 /nfs/dbraw/zinc/36/42/49/570364249.db2.gz LIYSJJYEQVFMJQ-DEOSSOPVSA-N 0 0 386.451 4.669 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000004309550 570367179 /nfs/dbraw/zinc/36/71/79/570367179.db2.gz GPVNEYGIFCJEQU-TXPKVOOTSA-N 0 0 381.388 4.728 50 10 GJCARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2cccs2)c1O ZINC000004942464 570377543 /nfs/dbraw/zinc/37/75/43/570377543.db2.gz MVISOTDYWOQHJJ-AWEZNQCLSA-N 0 0 384.482 4.515 50 10 GJCARN CCCCC1(C)OC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C(=O)O1 ZINC000004649276 570389438 /nfs/dbraw/zinc/38/94/38/570389438.db2.gz MDCAPCHTYGPRCX-UHFFFAOYSA-N 0 0 380.440 4.655 50 10 GJCARN CC(C)Oc1cc2c(c([N+](=O)[O-])c1)C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C ZINC000005093390 570415888 /nfs/dbraw/zinc/41/58/88/570415888.db2.gz OFJPEKAZUUKQJQ-QFIPXVFZSA-N 0 0 380.444 4.912 50 10 GJCARN Cc1cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)c(C)n1-c1cc[nH+]cc1 ZINC000005126860 570421739 /nfs/dbraw/zinc/42/17/39/570421739.db2.gz QTXAWFQOMQSBKM-UNOMPAQXSA-N 0 0 392.459 4.711 50 10 GJCARN Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000239425994 570430012 /nfs/dbraw/zinc/43/00/12/570430012.db2.gz VOUNWWOTGCOYHY-DXGKXZIESA-N 0 0 384.479 5.798 50 10 GJCARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c(O)c1 ZINC000252494120 570476380 /nfs/dbraw/zinc/47/63/80/570476380.db2.gz NLTRIXADWRJWBJ-OAHLLOKOSA-N 0 0 384.482 4.515 50 10 GJCARN CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000005174167 570492787 /nfs/dbraw/zinc/49/27/87/570492787.db2.gz FDHUCMYSCXQQRP-YBEGLDIGSA-N 0 0 375.902 4.750 50 10 GJCARN Cc1cc(C(=O)c2oc3nc(C)cc(C)c3c2N)c(C)n1-c1ccc(F)cc1 ZINC000006661765 570525423 /nfs/dbraw/zinc/52/54/23/570525423.db2.gz RZOBEIARVVVRHJ-UHFFFAOYSA-N 0 0 377.419 4.804 50 10 GJCARN CN(C)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000001028388 570548764 /nfs/dbraw/zinc/54/87/64/570548764.db2.gz ACQXIESNAKOJGE-GZTJUZNOSA-N 0 0 387.892 4.512 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccccc1F)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721730 570550272 /nfs/dbraw/zinc/55/02/72/570550272.db2.gz QJEYNWDOXNZLHL-XXBNENTESA-N 0 0 390.414 4.782 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 ZINC000006721693 570550458 /nfs/dbraw/zinc/55/04/58/570550458.db2.gz LGNGKURHLYJPQX-SIKLNZKXSA-N 0 0 391.858 4.991 50 10 GJCARN CN(C1=NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1)c1ccc(O)cc1 ZINC000005347401 570562089 /nfs/dbraw/zinc/56/20/89/570562089.db2.gz PTPRVPPTYKWRBS-NVNXTCNLSA-N 0 0 379.268 4.806 50 10 GJCARN Cc1cc2n(n1)[C@H](c1cc(Br)ccc1O)Nc1c(C)cc(C)cc1-2 ZINC000006792740 570596976 /nfs/dbraw/zinc/59/69/76/570596976.db2.gz XLOFECYBQORHIL-LJQANCHMSA-N 0 0 384.277 4.916 50 10 GJCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)C2=N)S1 ZINC000005516605 570624076 /nfs/dbraw/zinc/62/40/76/570624076.db2.gz IOVWNNSBRUGNPV-GQCVOSMTSA-N 0 0 397.548 4.588 50 10 GJCARN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000013615406 570661946 /nfs/dbraw/zinc/66/19/46/570661946.db2.gz YQZKOUOSWQKKJB-JTDSTZFVSA-N 0 0 381.388 4.728 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000013552767 570757889 /nfs/dbraw/zinc/75/78/89/570757889.db2.gz SUXUBSCPDJGLIK-PDGQHHTCSA-N 0 0 385.510 4.808 50 10 GJCARN CCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)SC1=S ZINC000001162380 570759113 /nfs/dbraw/zinc/75/91/13/570759113.db2.gz SKDPJKBCYRAFFL-LGMDPLHJSA-N 0 0 383.494 4.517 50 10 GJCARN COc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000013785421 570790242 /nfs/dbraw/zinc/79/02/42/570790242.db2.gz GETRTGZIHRXYMB-PGMHBOJBSA-N 0 0 392.524 4.620 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Br ZINC000101148697 570816159 /nfs/dbraw/zinc/81/61/59/570816159.db2.gz VCBLKRPKPBMTRY-GXDHUFHOSA-N 0 0 390.668 4.821 50 10 GJCARN CC(C)c1ccccc1OCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000004679562 570825844 /nfs/dbraw/zinc/82/58/44/570825844.db2.gz BDJQARDGMZEKTM-UYRXBGFRSA-N 0 0 399.537 4.757 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cccnc1 ZINC000102907344 570871490 /nfs/dbraw/zinc/87/14/90/570871490.db2.gz JBHKJBUTZBUJDZ-GHTZIAJQSA-N 0 0 377.831 4.683 50 10 GJCARN CCCCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000004589882 570897331 /nfs/dbraw/zinc/89/73/31/570897331.db2.gz BHWPEGRREYUTGZ-UHFFFAOYSA-N 0 0 399.446 4.893 50 10 GJCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C2=N)S1 ZINC000004575926 570903915 /nfs/dbraw/zinc/90/39/15/570903915.db2.gz QRAVQUFSTFBNLQ-IUUVDYQKSA-N 0 0 396.497 4.768 50 10 GJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3c(c2)C[C@H](C)O3)SC1=S ZINC000016810381 570911177 /nfs/dbraw/zinc/91/11/77/570911177.db2.gz WHJXWLVCNUSNND-ICLFIUAQSA-N 0 0 381.522 4.972 50 10 GJCARN CC[NH+](CC)Cc1c2c(ccc1[O-])oc(C)c2C(=O)c1cc(OC)ccc1OC ZINC000001322737 570958751 /nfs/dbraw/zinc/95/87/51/570958751.db2.gz OFJFSKLSONOUTM-UHFFFAOYSA-N 0 0 397.471 4.537 50 10 biogenic GJCARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)c1ccc(O)c(O)c1 ZINC000044867308 570978532 /nfs/dbraw/zinc/97/85/32/570978532.db2.gz NXAZIIHBBDGTIP-UHFFFAOYSA-N 0 0 388.448 4.683 50 10 GJCARN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2cccc3ccccc32)n[nH]1 ZINC000044839365 570979032 /nfs/dbraw/zinc/97/90/32/570979032.db2.gz XMSYUEBODSFRSP-UHFFFAOYSA-N 0 0 396.494 4.760 50 10 GJCARN CC(C)Oc1ccc(/C=C2/N=C(c3ccccc3)N(c3nccs3)C2=O)cc1 ZINC000002206904 571004834 /nfs/dbraw/zinc/00/48/34/571004834.db2.gz XOXXLBILDZVVDT-XMHGGMMESA-N 0 0 389.480 4.765 50 10 GJCARN Cc1cccc(N[C@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)n1 ZINC000045944580 571005671 /nfs/dbraw/zinc/00/56/71/571005671.db2.gz BAULLPMRXGTTBP-LJQANCHMSA-N 0 0 376.847 4.894 50 10 GJCARN CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 ZINC000001236388 212231860 /nfs/dbraw/zinc/23/18/60/212231860.db2.gz OXBUGQDRUPBVEK-AQTBWJFISA-N 0 0 384.526 4.644 50 10 GJCARN COCc1cccc(NC2(c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1 ZINC000001099830 212216726 /nfs/dbraw/zinc/21/67/26/212216726.db2.gz VBPCXDGYPWMEAL-UHFFFAOYSA-N 0 0 391.854 4.873 50 10 GJCARN O=C1/C(=C/c2ccccc2)SC(=S)N1c1cccc(Br)c1 ZINC000001045910 212209269 /nfs/dbraw/zinc/20/92/69/212209269.db2.gz ZGWJLVBFAPBIRR-ZROIWOOFSA-N 0 0 376.300 4.855 50 10 GJCARN COc1ccc(N2C(=O)/C(=C\c3c(C)[nH]c4ccccc43)SC2=S)cc1 ZINC000001023092 212206304 /nfs/dbraw/zinc/20/63/04/212206304.db2.gz ZCIALKBOJLRMQM-WOJGMQOQSA-N 0 0 380.494 4.891 50 10 GJCARN Cc1oc2c(ccc([O-])c2C[NH2+]Cc2cccs2)c(=O)c1-c1ccc(F)cc1 ZINC000032501388 212160904 /nfs/dbraw/zinc/16/09/04/212160904.db2.gz UKADBLYUJWIKIK-UHFFFAOYSA-N 0 0 395.455 4.964 50 10 GJCARN COC(=O)c1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)o1 ZINC000001147482 212145161 /nfs/dbraw/zinc/14/51/61/212145161.db2.gz SATARCXMFIJUBO-UHFFFAOYSA-N 0 0 390.391 4.727 50 10 biogenic GJCARN COc1ccc(C=C2SC(=S)N(N=c3[nH]c4ccccc4s3)C2=O)cc1 ZINC000033562651 206304146 /nfs/dbraw/zinc/30/41/46/206304146.db2.gz XIGIBQTXHKWYEB-XNTDXEJSSA-N 0 0 399.522 4.533 50 10 GJCARN O=C1N=C(NC2CCCCC2)SC1=Cc1csc(-c2ccsc2)n1 ZINC000096401846 206300482 /nfs/dbraw/zinc/30/04/82/206300482.db2.gz XUCLGGCKHNUHFK-ZSOIEALJSA-N 0 0 375.544 4.764 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1 ZINC000000978016 206338929 /nfs/dbraw/zinc/33/89/29/206338929.db2.gz MGWNGRYXBOSMML-DHDCSXOGSA-N 0 0 379.865 4.894 50 10 GJCARN COc1ccc(C2=C/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1 ZINC000001060921 206346896 /nfs/dbraw/zinc/34/68/96/206346896.db2.gz VMKQLZUQVMYYDU-VBKFSLOCSA-N 0 0 389.363 4.845 50 10 GJCARN CC1(c2ccccc2)OC(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)O1 ZINC000001074006 206350319 /nfs/dbraw/zinc/35/03/19/206350319.db2.gz HLZOLMQXLPMDKY-UHFFFAOYSA-N 0 0 394.810 4.956 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000001086567 206350942 /nfs/dbraw/zinc/35/09/42/206350942.db2.gz WGCWUXUYFNLURP-WQRHYEAKSA-N 0 0 385.510 4.726 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215855 206373978 /nfs/dbraw/zinc/37/39/78/206373978.db2.gz CRLFOUQLXKEVAO-UTKZUKDTSA-N 0 0 378.453 4.705 50 10 GJCARN Oc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 ZINC000010215403 206374002 /nfs/dbraw/zinc/37/40/02/206374002.db2.gz AVJQABJNILUNCY-TZIWHRDSSA-N 0 0 377.831 4.683 50 10 GJCARN Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)cc1 ZINC000010215405 206374605 /nfs/dbraw/zinc/37/46/05/206374605.db2.gz RSMMAABWFWTLQW-PZJWPPBQSA-N 0 0 377.831 4.683 50 10 GJCARN COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1Br ZINC000001191266 206365474 /nfs/dbraw/zinc/36/54/74/206365474.db2.gz NYPVOLUWHFARBJ-YBEGLDIGSA-N 0 0 388.286 4.827 50 10 GJCARN CSc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 ZINC000001243513 206370616 /nfs/dbraw/zinc/37/06/16/206370616.db2.gz CEYSZJXFQQHABL-ALGNWURXSA-N 0 0 377.494 4.713 50 10 GJCARN COc1ccc(NC(=O)CSc2ccc(NCc3ccccc3O)cc2)cc1 ZINC000002544810 206421495 /nfs/dbraw/zinc/42/14/95/206421495.db2.gz BYNXVHQMAJZOLA-UHFFFAOYSA-N 0 0 394.496 4.744 50 10 GJCARN CCC1=CC(=NNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)C=C1 ZINC000004599757 206534945 /nfs/dbraw/zinc/53/49/45/206534945.db2.gz RGKXUIAHOJTNHO-QURGRASLSA-N 0 0 387.505 4.935 50 10 GJCARN C[C@@H](COc1ccccc1)COc1ccccc1/C=C1\SC(=S)N(C)C1=O ZINC000013894774 207003904 /nfs/dbraw/zinc/00/39/04/207003904.db2.gz KHELLLLIXXNPNH-CCRNYGKSSA-N 0 0 399.537 4.612 50 10 GJCARN COc1cc(C)c(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1C(C)C ZINC000013895291 207004007 /nfs/dbraw/zinc/00/40/07/207004007.db2.gz LSZDHFWWMGYLHF-GRSHGNNSSA-N 0 0 398.553 4.923 50 10 GJCARN CCCCOc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1OCC ZINC000016713545 207077198 /nfs/dbraw/zinc/07/71/98/207077198.db2.gz GHNASAUBAINOPZ-ATVHPVEESA-N 0 0 379.547 4.874 50 10 GJCARN N=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN21 ZINC000020032202 207175170 /nfs/dbraw/zinc/17/51/70/207175170.db2.gz LVUXQJZTAYGWEV-HUHIGAQKSA-N 0 0 395.871 4.696 50 10 GJCARN CCN(CC)c1ccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c(O)c1 ZINC000020060237 207176032 /nfs/dbraw/zinc/17/60/32/207176032.db2.gz LVLDVMAKYDGYGU-QHCPKHFHSA-N 0 0 376.504 5.000 50 10 GJCARN COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000020070946 207177660 /nfs/dbraw/zinc/17/76/60/207177660.db2.gz NAACHQHLZYGKBJ-WMZHIEFXSA-N 0 0 390.414 4.782 50 10 GJCARN Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4O)=NN32)cc1 ZINC000020070815 207177884 /nfs/dbraw/zinc/17/78/84/207177884.db2.gz PIIYMPNFHFANSR-SIKLNZKXSA-N 0 0 392.842 4.994 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000020037333 207174031 /nfs/dbraw/zinc/17/40/31/207174031.db2.gz FTPCBRZZQKVYDP-JBTTYCITSA-N 0 0 396.903 4.915 50 10 GJCARN Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c([O-])c1C[N@H+]1CCC[C@@H](C)C1 ZINC000020290767 207187119 /nfs/dbraw/zinc/18/71/19/207187119.db2.gz ICMSVXKABUIKEH-MRXNPFEDSA-N 0 0 391.511 4.938 50 10 GJCARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(O)c(Br)c2)S1 ZINC000096663441 208320190 /nfs/dbraw/zinc/32/01/90/208320190.db2.gz JVYBVDHUYCHUGH-DHDCSXOGSA-N 0 0 389.274 4.546 50 10 GJCARN CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044085637 208443381 /nfs/dbraw/zinc/44/33/81/208443381.db2.gz DZAFOMOJZPJKQX-UHFFFAOYSA-N 0 0 377.513 4.560 50 10 GJCARN COc1ccccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000002411860 220530910 /nfs/dbraw/zinc/53/09/10/220530910.db2.gz XTDHGMWVNFQMCQ-WQRHYEAKSA-N 0 0 380.494 4.593 50 10 GJCARN CCOc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 ZINC000005890635 220906181 /nfs/dbraw/zinc/90/61/81/220906181.db2.gz BWOOFUNAEHEKKZ-XDHOZWIPSA-N 0 0 394.521 4.983 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 ZINC000006721822 220953553 /nfs/dbraw/zinc/95/35/53/220953553.db2.gz RNRZFDZDRFZNMO-WIYYLYMNSA-N 0 0 378.453 4.705 50 10 GJCARN CCOc1ccccc1NC(=O)NCc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000009228708 221074907 /nfs/dbraw/zinc/07/49/07/221074907.db2.gz NMHIFFIGRUJYSU-UHFFFAOYSA-N 0 0 381.451 4.954 50 10 GJCARN COc1ccc(C)cc1NC(=O)NCc1cc(C)n(-c2ccccc2OC)c1C ZINC000009228895 221075102 /nfs/dbraw/zinc/07/51/02/221075102.db2.gz NLRRWVDODUNRAH-UHFFFAOYSA-N 0 0 393.487 4.741 50 10 GJCARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2ccc(F)cc2F)c1C ZINC000009228899 221075155 /nfs/dbraw/zinc/07/51/55/221075155.db2.gz FKULWNCXYZIDMG-UHFFFAOYSA-N 0 0 385.414 4.703 50 10 GJCARN COc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1 ZINC000009228560 221075219 /nfs/dbraw/zinc/07/52/19/221075219.db2.gz ALEIBOFNUXEMEY-UHFFFAOYSA-N 0 0 393.487 4.741 50 10 GJCARN CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)N2CCc3ccccc32)cc1 ZINC000009526965 221083774 /nfs/dbraw/zinc/08/37/74/221083774.db2.gz HHLIHWAJONCPHM-DEOSSOPVSA-N 0 0 391.559 4.553 50 10 GJCARN COc1ccc(N(CC(=O)Nc2cc(F)ccc2F)Cc2ccccc2)cc1 ZINC000012536935 221203854 /nfs/dbraw/zinc/20/38/54/221203854.db2.gz QUYKABQMUCCQLP-UHFFFAOYSA-N 0 0 382.410 4.619 50 10 GJCARN Cc1ccnc(N[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2O)c1 ZINC000015016409 221326712 /nfs/dbraw/zinc/32/67/12/221326712.db2.gz WRUZNTSXJKBYPR-HXUWFJFHSA-N 0 0 386.411 4.754 50 10 GJCARN O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000002286576 136193500 /nfs/dbraw/zinc/19/35/00/136193500.db2.gz GHVNKFXAWRHKMP-FYJGNVAPSA-N 0 0 380.403 4.765 50 10 GJCARN Cc1ccc(S(=O)(=O)N2N=C(C(C)(C)C)C[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000032925228 221752299 /nfs/dbraw/zinc/75/22/99/221752299.db2.gz FSPLKNZSRMPXFB-HXUWFJFHSA-N 0 0 399.560 4.599 50 10 GJCARN COc1ccc(C2=N[C@H](c3sccc3C)N[C@@H](c3ccccc3O)C2)cc1 ZINC000058083371 222038891 /nfs/dbraw/zinc/03/88/91/222038891.db2.gz GMAOTWMTZDGREZ-KNQAVFIVSA-N 0 0 378.497 4.993 50 10 GJCARN Cc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)c(C)n1-c1ccccn1 ZINC000065599044 222134706 /nfs/dbraw/zinc/13/47/06/222134706.db2.gz ATFQQNVFBICSBG-UHFFFAOYSA-N 0 0 399.454 4.632 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000012562048 528197820 /nfs/dbraw/zinc/19/78/20/528197820.db2.gz OEPPUGNPHNOIGT-SXGWCWSVSA-N 0 0 391.901 4.850 50 10 GJCARN CCCCOc1ccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)cc1 ZINC000002112751 535324774 /nfs/dbraw/zinc/32/47/74/535324774.db2.gz ASNUXPIQXMRZGA-UHFFFAOYSA-N 0 0 379.456 4.891 50 10 biogenic GJCARN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1 ZINC000001160121 570251639 /nfs/dbraw/zinc/25/16/39/570251639.db2.gz QMCMTVVYIZUPPV-WQLSENKSSA-N 0 0 380.288 4.756 50 10 GJCARN CCN1c2ccccc2S/C1=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000002923887 570318547 /nfs/dbraw/zinc/31/85/47/570318547.db2.gz AUZKBEXHRJJNNK-FBMGVBCBSA-N 0 0 384.551 4.848 50 10 GJCARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000004482682 570377724 /nfs/dbraw/zinc/37/77/24/570377724.db2.gz XWPAVFSXCWNDDE-RIYZIHGNSA-N 0 0 376.846 4.654 50 10 GJCARN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000004676574 570392646 /nfs/dbraw/zinc/39/26/46/570392646.db2.gz AXKGHTNFUKKRGD-KGENOOAVSA-N 0 0 385.467 4.808 50 10 GJCARN Cc1ccc(C)c(OCCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000004755118 570403083 /nfs/dbraw/zinc/40/30/83/570403083.db2.gz FFEMBIDFFXPDHG-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000005093303 570415582 /nfs/dbraw/zinc/41/55/82/570415582.db2.gz ZXMFFTARDPRPJI-UHFFFAOYSA-N 0 0 380.440 4.655 50 10 GJCARN CCCCOc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000005119333 570420299 /nfs/dbraw/zinc/42/02/99/570420299.db2.gz MSHNMRSHJGINMZ-UHFFFAOYSA-N 0 0 399.446 4.893 50 10 GJCARN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005092934 570428985 /nfs/dbraw/zinc/42/89/85/570428985.db2.gz KOHSPYVAMBRDJG-KPKJPENVSA-N 0 0 387.822 4.767 50 10 GJCARN Cc1c(C=C2SC(=S)NC2=O)c2ccccc2n1Cc1ccccc1C ZINC000005102467 570429477 /nfs/dbraw/zinc/42/94/77/570429477.db2.gz JKPHDFQGJIPNLS-ODLFYWEKSA-N 0 0 378.522 4.795 50 10 GJCARN CCCc1ccc(NC2=NC(=O)C(=Cc3ccc(OC)c(OC)c3)S2)cc1 ZINC000028296850 570457599 /nfs/dbraw/zinc/45/75/99/570457599.db2.gz JRANTJKYGKZCKF-CPNJWEJPSA-N 0 0 382.485 4.739 50 10 GJCARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000006534305 570469693 /nfs/dbraw/zinc/46/96/93/570469693.db2.gz NYBUBUCFBODHAK-UHFFFAOYSA-N 0 0 381.885 4.713 50 10 GJCARN Cc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1 ZINC000005177635 570494465 /nfs/dbraw/zinc/49/44/65/570494465.db2.gz LVNRNRZXLAFABB-MWQVBJQISA-N 0 0 380.517 4.975 50 10 GJCARN COc1cccc2c1O[C@H](c1ccccc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000006721745 570550403 /nfs/dbraw/zinc/55/04/03/570550403.db2.gz OYWPLXXKJRKSTJ-GBXCKJPGSA-N 0 0 386.451 4.952 50 10 GJCARN Cc1cc2c(n1-c1ccc(C(=O)NCc3cccc(F)c3)cc1)CC[C@@H](C)C2 ZINC000006878005 570669652 /nfs/dbraw/zinc/66/96/52/570669652.db2.gz HWVOIALRPWLYBX-MRXNPFEDSA-N 0 0 376.475 4.980 50 10 GJCARN Cc1cc(C(=O)CSc2ncccn2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000006912805 570699896 /nfs/dbraw/zinc/69/98/96/570699896.db2.gz KMOZYMWYMVGVJD-UHFFFAOYSA-N 0 0 391.418 4.878 50 10 GJCARN CCCCCCc1cc([C@H]2C(c3ccccc3)=NN=C(C)N2O)c(O)cc1O ZINC000005951305 570808261 /nfs/dbraw/zinc/80/82/61/570808261.db2.gz XNPHCAKKRIGPMY-QFIPXVFZSA-N 0 0 381.476 4.789 50 10 GJCARN COC(=O)c1ccc(-c2ccc(/C=C3\C(C)=NN(c4ccccc4)C3=O)o2)cc1 ZINC000005954266 570808622 /nfs/dbraw/zinc/80/86/22/570808622.db2.gz JKSRJVRVXITWKU-XSFVSMFZSA-N 0 0 386.407 4.539 50 10 GJCARN CCCOC(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 ZINC000101114102 570814609 /nfs/dbraw/zinc/81/46/09/570814609.db2.gz HKCOFFVPKSKJFM-KGENOOAVSA-N 0 0 391.471 4.589 50 10 GJCARN N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000004672917 570819470 /nfs/dbraw/zinc/81/94/70/570819470.db2.gz JRCGFTUGHKFEIL-WSYITQDSSA-N 0 0 388.477 4.569 50 10 GJCARN Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1-c1ccc(F)cc1 ZINC000004505817 570819483 /nfs/dbraw/zinc/81/94/83/570819483.db2.gz BMJZEJQQMUYVLD-UHFFFAOYSA-N 0 0 387.357 4.551 50 10 GJCARN CCN1C(=O)/C(=C/C=C2/Sc3c4ccoc4ccc3N2CC)SC1=S ZINC000104480654 570900537 /nfs/dbraw/zinc/90/05/37/570900537.db2.gz AWJVITWHBPHYGF-UFSWOOAPSA-N 0 0 388.539 4.970 50 10 GJCARN Cc1ccc(-c2nc(NCc3ccc(N(C)C)cc3)n(C(=O)CC(C)C)n2)cc1 ZINC000004739681 570953869 /nfs/dbraw/zinc/95/38/69/570953869.db2.gz SSQOBKBCSKVGPI-UHFFFAOYSA-N 0 0 391.519 4.618 50 10 GJCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000004812380 570998989 /nfs/dbraw/zinc/99/89/89/570998989.db2.gz CIYZTMZORXGPCP-DEDYPNTBSA-N 0 0 387.395 4.969 50 10 GJCARN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)SC1=S ZINC000005504752 571003761 /nfs/dbraw/zinc/00/37/61/571003761.db2.gz GRRANIMYXHXZFC-CPNJWEJPSA-N 0 0 399.537 4.885 50 10 GJCARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000084191454 571007493 /nfs/dbraw/zinc/00/74/93/571007493.db2.gz CEBXVUKDZKREHF-UHFFFAOYSA-N 0 0 387.483 4.582 50 10 GJCARN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 ZINC000002055925 212263789 /nfs/dbraw/zinc/26/37/89/212263789.db2.gz YPYXAYZAEQMFHZ-CPNJWEJPSA-N 0 0 399.491 4.778 50 10 GJCARN CCCCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl ZINC000001927099 212260027 /nfs/dbraw/zinc/26/00/27/212260027.db2.gz XGCMQQZGPOAAHM-UHFFFAOYSA-N 0 0 386.831 4.836 50 10 GJCARN COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OC ZINC000001301816 212233785 /nfs/dbraw/zinc/23/37/85/212233785.db2.gz DQSULMZRUVPAOM-BOPFTXTBSA-N 0 0 385.510 4.726 50 10 GJCARN COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c1OC ZINC000001243547 212232482 /nfs/dbraw/zinc/23/24/82/212232482.db2.gz LJUQTHMYMPQRME-BOPFTXTBSA-N 0 0 385.510 4.726 50 10 GJCARN CCOC(=O)c1sc(Nc2ccccc2)c(-c2nc3ccccc3[nH]2)c1N ZINC000001033682 212206947 /nfs/dbraw/zinc/20/69/47/212206947.db2.gz SKZGAYFZOILTCP-UHFFFAOYSA-N 0 0 378.457 4.794 50 10 GJCARN CCOc1ccccc1NC(=O)c1c2c(sc1NCc1ccccn1)CCC2 ZINC000000920856 212195087 /nfs/dbraw/zinc/19/50/87/212195087.db2.gz UXQZRAOCIUXEKL-UHFFFAOYSA-N 0 0 393.512 4.895 50 10 GJCARN COc1ccc(C2=C/C(=C/c3c(Cl)cccc3Cl)C(=O)O2)cc1OC ZINC000000728617 212178353 /nfs/dbraw/zinc/17/83/53/212178353.db2.gz UTKJCXRQNYLWJM-WQLSENKSSA-N 0 0 377.223 4.992 50 10 GJCARN COc1ccccc1Oc1coc2c(ccc([O-])c2C[NH+]2CCC(C)CC2)c1=O ZINC000020436507 212152330 /nfs/dbraw/zinc/15/23/30/212152330.db2.gz ILBAWMXVRVJGGY-UHFFFAOYSA-N 0 0 395.455 4.531 50 10 biogenic GJCARN COc1ccc(Oc2c(C)oc3c(ccc([O-])c3C[NH+]3CCCCC3)c2=O)cc1 ZINC000020390737 212151989 /nfs/dbraw/zinc/15/19/89/212151989.db2.gz LVFHGHXIWSDNCJ-UHFFFAOYSA-N 0 0 395.455 4.594 50 10 biogenic GJCARN COc1ccc(-c2c(C)c3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2=O)cc1 ZINC000004340396 206293472 /nfs/dbraw/zinc/29/34/72/206293472.db2.gz PXXXRXYJIOXEIY-UHFFFAOYSA-N 0 0 393.483 4.715 50 10 GJCARN O=C(N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21)c1ccccc1 ZINC000000855826 206327988 /nfs/dbraw/zinc/32/79/88/206327988.db2.gz AOXLDXFRPQBDTI-HSZRJFAPSA-N 0 0 398.418 4.973 50 10 GJCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000001180449 206364589 /nfs/dbraw/zinc/36/45/89/206364589.db2.gz AMXHOKTWZNMWRF-UYRXBGFRSA-N 0 0 382.485 4.782 50 10 GJCARN COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)C2)c(O)c1 ZINC000001279863 206369975 /nfs/dbraw/zinc/36/99/75/206369975.db2.gz QMDBMRNDDPWKEL-MEWQITQSSA-N 0 0 398.462 4.792 50 10 GJCARN COc1ccc(N2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000002404953 206414227 /nfs/dbraw/zinc/41/42/27/206414227.db2.gz LDYINHSCQGYJTQ-UHFFFAOYSA-N 0 0 387.483 4.776 50 10 GJCARN CCOC(=O)c1cc(C)n(-c2ccc(C(=O)NC3CCCCCC3)cc2)c1C ZINC000006899528 206691545 /nfs/dbraw/zinc/69/15/45/206691545.db2.gz WCCVCCDKCFGDSU-UHFFFAOYSA-N 0 0 382.504 4.723 50 10 GJCARN Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000008845887 206767267 /nfs/dbraw/zinc/76/72/67/206767267.db2.gz WOGXMJGKPYCEEI-UHFFFAOYSA-N 0 0 380.488 4.892 50 10 GJCARN O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1c1ccc(Cl)cc1 ZINC000013693455 206991881 /nfs/dbraw/zinc/99/18/81/206991881.db2.gz MVWUTQLYFBNULV-GDNBJRDFSA-N 0 0 383.885 4.689 50 10 GJCARN O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1c1ccc(Cl)cc1 ZINC000013721666 206993780 /nfs/dbraw/zinc/99/37/80/206993780.db2.gz NIOWUINGRDOABE-CXUHLZMHSA-N 0 0 383.885 4.689 50 10 GJCARN COc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1OCC(C)C ZINC000014110506 207011372 /nfs/dbraw/zinc/01/13/72/207011372.db2.gz QGAXFGRPISJCIB-UNOMPAQXSA-N 0 0 388.533 4.623 50 10 GJCARN COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O ZINC000015016433 207041270 /nfs/dbraw/zinc/04/12/70/207041270.db2.gz FCTHDIWMHUZDNV-OAQYLSRUSA-N 0 0 387.439 4.560 50 10 GJCARN CCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000021729008 207237201 /nfs/dbraw/zinc/23/72/01/207237201.db2.gz CFOLCQCBYGZHBA-QFIPXVFZSA-N 0 0 399.450 4.714 50 10 GJCARN Cn1c(-c2ccccc2)cnc1SCC(=O)N(Cc1ccccc1F)C1CC1 ZINC000007210626 220989547 /nfs/dbraw/zinc/98/95/47/220989547.db2.gz CBPNHBNXKDFANW-UHFFFAOYSA-N 0 0 395.503 4.510 50 10 GJCARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1-c1ccccc1 ZINC000007902494 221015545 /nfs/dbraw/zinc/01/55/45/221015545.db2.gz PUSHZFOYTPKRML-UHFFFAOYSA-N 0 0 392.528 4.873 50 10 GJCARN O=C(OCc1ccc(F)cc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000007985471 221018750 /nfs/dbraw/zinc/01/87/50/221018750.db2.gz FCJHAIJHWINMOH-UHFFFAOYSA-N 0 0 394.785 4.612 50 10 GJCARN Cc1cc(CNC(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000009228820 221074887 /nfs/dbraw/zinc/07/48/87/221074887.db2.gz ZGXRXJQXEUIXMA-UHFFFAOYSA-N 0 0 381.907 4.789 50 10 GJCARN COc1ccc(NC(=O)NCc2cc(C)n(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000009228716 221075062 /nfs/dbraw/zinc/07/50/62/221075062.db2.gz KUTZFSILUQGKJF-UHFFFAOYSA-N 0 0 397.450 4.572 50 10 GJCARN COc1cc2c(cc1NCC(=O)Nc1c(F)cccc1F)oc1ccccc12 ZINC000011619217 221118514 /nfs/dbraw/zinc/11/85/14/221118514.db2.gz RBSPZWGXSDRDLY-UHFFFAOYSA-N 0 0 382.366 4.923 50 10 GJCARN Cc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)n1-c1ccccc1C ZINC000012553225 221206076 /nfs/dbraw/zinc/20/60/76/221206076.db2.gz RKLYLKLDGYNQGU-UHFFFAOYSA-N 0 0 387.483 4.547 50 10 GJCARN O=C1N=C(NN=c2[nH]c3ccccc3s2)SC1=Cc1ccc(Cl)cc1 ZINC000012583182 221210066 /nfs/dbraw/zinc/21/00/66/221210066.db2.gz OLXDKKKQAINMCG-ZROIWOOFSA-N 0 0 386.889 4.537 50 10 GJCARN Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000013759109 221288258 /nfs/dbraw/zinc/28/82/58/221288258.db2.gz AEHCYMYDFKGERP-UYRXBGFRSA-N 0 0 378.522 4.622 50 10 GJCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000015008528 221326045 /nfs/dbraw/zinc/32/60/45/221326045.db2.gz NYESGNXPVVCJSO-BUHHDHKDSA-N 0 0 381.478 4.767 50 10 GJCARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)SC1=Cc1ccc2c(c1)OCO2 ZINC000016669653 221368460 /nfs/dbraw/zinc/36/84/60/221368460.db2.gz HEHTWFLAZIOPDD-CHHVJCJISA-N 0 0 392.358 4.517 50 10 GJCARN COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053364803 222009743 /nfs/dbraw/zinc/00/97/43/222009743.db2.gz DGVHFEQHLWQJBM-JTHBVZDNSA-N 0 0 376.431 4.762 50 10 GJCARN COc1ccc(C2=N[C@@H](c3sccc3C)N[C@H](c3ccccc3O)C2)cc1 ZINC000058083365 222040005 /nfs/dbraw/zinc/04/00/05/222040005.db2.gz GMAOTWMTZDGREZ-SIKLNZKXSA-N 0 0 378.497 4.993 50 10 GJCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCCc1ccccc1 ZINC000100163438 222457067 /nfs/dbraw/zinc/45/70/67/222457067.db2.gz MJZWNMLAUXDQQS-BMRADRMJSA-N 0 0 390.512 4.515 50 10 GJCARN Cc1cc(C(=O)Nc2cccc(C(N)=O)c2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000012610337 524175072 /nfs/dbraw/zinc/17/50/72/524175072.db2.gz UOHWWRBPDBGAHG-UHFFFAOYSA-N 0 0 375.472 4.569 50 10 GJCARN CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000006781048 528740468 /nfs/dbraw/zinc/74/04/68/528740468.db2.gz DGNHTPMCCPVYIY-UHFFFAOYSA-N 0 0 396.874 4.968 50 10 GJCARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)coc21 ZINC000019790385 570219087 /nfs/dbraw/zinc/21/90/87/570219087.db2.gz OPXBESCOSXERIC-MRXNPFEDSA-N 0 0 393.483 4.939 50 10 GJCARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 ZINC000001181390 570255466 /nfs/dbraw/zinc/25/54/66/570255466.db2.gz RQCOOQGKTBRYAD-XDHOZWIPSA-N 0 0 399.537 4.804 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000100147943 570267619 /nfs/dbraw/zinc/26/76/19/570267619.db2.gz UOCFYSBBEJZDRT-CXUHLZMHSA-N 0 0 375.653 4.909 50 10 GJCARN COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(C3CCCCC3)C1=O)S2 ZINC000100505403 570272706 /nfs/dbraw/zinc/27/27/06/570272706.db2.gz MGSCGPQFMDAVDP-ICFOKQHNSA-N 0 0 392.571 4.599 50 10 GJCARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)cc1 ZINC000006721662 570281198 /nfs/dbraw/zinc/28/11/98/570281198.db2.gz RGKMVUUCAADLOY-ZJSXRUAMSA-N 0 0 386.451 4.952 50 10 GJCARN CCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000033398308 570302595 /nfs/dbraw/zinc/30/25/95/570302595.db2.gz AWYCNYSLLONIDF-QINSGFPZSA-N 0 0 384.819 4.636 50 10 GJCARN CCCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc21 ZINC000002870340 570313534 /nfs/dbraw/zinc/31/35/34/570313534.db2.gz BKSDMVNJYNJHPO-DEOSSOPVSA-N 0 0 393.483 4.958 50 10 GJCARN CN(C)c1ccc(/C=C/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000002919089 570318456 /nfs/dbraw/zinc/31/84/56/570318456.db2.gz PLTLLHRLJWJBDK-AVSIYSEJSA-N 0 0 380.538 4.710 50 10 GJCARN CCN(CC)c1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 ZINC000006205331 570341864 /nfs/dbraw/zinc/34/18/64/570341864.db2.gz ZHKFRTOVBRYUET-PXLXIMEGSA-N 0 0 376.504 4.868 50 10 GJCARN Cc1cccc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2O)n1 ZINC000004164774 570360531 /nfs/dbraw/zinc/36/05/31/570360531.db2.gz ASZDPGHRTDVQCH-JOCHJYFZSA-N 0 0 399.450 4.882 50 10 GJCARN Cc1cccc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2O)n1 ZINC000004164772 570360552 /nfs/dbraw/zinc/36/05/52/570360552.db2.gz ASZDPGHRTDVQCH-QFIPXVFZSA-N 0 0 399.450 4.882 50 10 GJCARN COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1O ZINC000004613833 570387703 /nfs/dbraw/zinc/38/77/03/570387703.db2.gz RCKDYYQKEYUSNA-KPKJPENVSA-N 0 0 377.227 4.514 50 10 GJCARN CCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000005458668 570440458 /nfs/dbraw/zinc/44/04/58/570440458.db2.gz PNOCQQMJWFTPTK-BMRADRMJSA-N 0 0 390.512 4.711 50 10 GJCARN CN(C)c1ccc(CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccn2)cc1 ZINC000028288093 570454569 /nfs/dbraw/zinc/45/45/69/570454569.db2.gz KWZXGMCYKFMZDQ-UHFFFAOYSA-N 0 0 389.543 4.897 50 10 GJCARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000006865946 570497591 /nfs/dbraw/zinc/49/75/91/570497591.db2.gz MBIMHYSHUGPQMQ-UHFFFAOYSA-N 0 0 376.456 4.506 50 10 GJCARN CCN1C(=O)/C(=C\C=C2\Sc3ccc(Cl)cc3N2CC)SC1=S ZINC000033907847 570529624 /nfs/dbraw/zinc/52/96/24/570529624.db2.gz ZHTUWYKCQFHRAT-FNCQTZNRSA-N 0 0 382.963 4.878 50 10 GJCARN COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1 ZINC000005254763 570529868 /nfs/dbraw/zinc/52/98/68/570529868.db2.gz GGFNVLXOKBHUQT-UUFSLDAJSA-N 0 0 398.462 4.792 50 10 GJCARN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc4ccccc4c3)C2=N)S1 ZINC000032964082 570547703 /nfs/dbraw/zinc/54/77/03/570547703.db2.gz OZBWHOHEJXIQPT-KFGVSYDZSA-N 0 0 399.479 4.660 50 10 GJCARN COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000006721724 570550182 /nfs/dbraw/zinc/55/01/82/570550182.db2.gz BMDJLOSFWJNEDS-XXBNENTESA-N 0 0 390.414 4.782 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(C)c2)c1 ZINC000006721772 570550421 /nfs/dbraw/zinc/55/04/21/570550421.db2.gz PEAGFEBFVJEZSC-URXFXBBRSA-N 0 0 386.451 4.952 50 10 GJCARN Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4O)=NN32)cc1 ZINC000006721644 570550445 /nfs/dbraw/zinc/55/04/45/570550445.db2.gz PIIYMPNFHFANSR-KNQAVFIVSA-N 0 0 392.842 4.994 50 10 GJCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)C[C@H](C)O3)SC1=S ZINC000005419568 570589012 /nfs/dbraw/zinc/58/90/12/570589012.db2.gz WHJXWLVCNUSNND-CHOGILEZSA-N 0 0 381.522 4.972 50 10 GJCARN COc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000006781042 570589062 /nfs/dbraw/zinc/58/90/62/570589062.db2.gz PMFFDVHYPDRCKU-UHFFFAOYSA-N 0 0 396.874 4.886 50 10 GJCARN CCC(CC)C1=NN2C(=NC(=O)/C(=C\c3cccc4ccccc34)C2=N)S1 ZINC000005529202 570625298 /nfs/dbraw/zinc/62/52/98/570625298.db2.gz ORBRILLNAZNWSM-SABKFZPKSA-N 0 0 376.485 4.895 50 10 GJCARN CN(C)c1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1Br ZINC000004600087 570633025 /nfs/dbraw/zinc/63/30/25/570633025.db2.gz WHSZPLRNEMJXIE-NTEUORMPSA-N 0 0 388.236 4.636 50 10 GJCARN COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=O)NC2=S)cc1 ZINC000012414283 570656774 /nfs/dbraw/zinc/65/67/74/570656774.db2.gz MJGRXGYXUCMZLH-BOPFTXTBSA-N 0 0 393.493 4.673 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000013596683 570660175 /nfs/dbraw/zinc/66/01/75/570660175.db2.gz BOIUTOIOUKDMBN-PXNMLYILSA-N 0 0 391.901 4.763 50 10 GJCARN O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1ccc(Cl)cc1 ZINC000005583311 570661098 /nfs/dbraw/zinc/66/10/98/570661098.db2.gz FQRNVVBQIVPXQN-DHDCSXOGSA-N 0 0 378.881 4.750 50 10 GJCARN CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccccc1 ZINC000004613373 570668712 /nfs/dbraw/zinc/66/87/12/570668712.db2.gz BTYRBDCPXFDYTH-HMMYKYKNSA-N 0 0 390.512 4.863 50 10 GJCARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000013749877 570674592 /nfs/dbraw/zinc/67/45/92/570674592.db2.gz HMJHNGLSCNMNQI-ZROIWOOFSA-N 0 0 394.290 4.994 50 10 GJCARN COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c(OC)c1 ZINC000211031612 570736608 /nfs/dbraw/zinc/73/66/08/570736608.db2.gz OSVUPLYQPVBPNV-OVCLIPMQSA-N 0 0 391.254 4.817 50 10 GJCARN CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000006005061 570813519 /nfs/dbraw/zinc/81/35/19/570813519.db2.gz XSIKBOMHNMQCFX-YAFRSCOQSA-N 0 0 388.470 4.855 50 10 GJCARN CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S ZINC000004690793 570839922 /nfs/dbraw/zinc/83/99/22/570839922.db2.gz LRCFRANIMGDXRU-WQRHYEAKSA-N 0 0 385.510 4.672 50 10 GJCARN COc1cccc2c1O[C@H](c1ccc(C)o1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000102907445 570871277 /nfs/dbraw/zinc/87/12/77/570871277.db2.gz WGQAQINZRNBPFZ-VGOFRKELSA-N 0 0 376.412 4.545 50 10 GJCARN Cc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3O)C2)cc1 ZINC000004729273 570884277 /nfs/dbraw/zinc/88/42/77/570884277.db2.gz QCAOPKFFIRDREG-UYAOXDASSA-N 0 0 387.321 4.969 50 10 GJCARN CC1CCN(C(=O)c2cccc(-c3ccc(Oc4ccc(N)cn4)cc3)c2)CC1 ZINC000534656654 570915483 /nfs/dbraw/zinc/91/54/83/570915483.db2.gz ODCUFVVFNQKFEU-UHFFFAOYSA-N 0 0 387.483 4.995 50 10 GJCARN Cc1ccc2c(c1)CCCN2C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000007779062 571036477 /nfs/dbraw/zinc/03/64/77/571036477.db2.gz JZOCNYMHSAJMNO-UHFFFAOYSA-N 0 0 394.478 4.836 50 10 GJCARN O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000022309858 230909940 /nfs/dbraw/zinc/90/99/40/230909940.db2.gz DHLGAYKSLLPARE-NSIKDUERSA-N 0 0 398.292 4.810 50 10 GJCARN COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000010215940 212239064 /nfs/dbraw/zinc/23/90/64/212239064.db2.gz GZAQNVKHLVZTIJ-HTAPYJJXSA-N 0 0 376.412 4.545 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000001416639 212243590 /nfs/dbraw/zinc/24/35/90/212243590.db2.gz LWIHAVQKBQIIBK-OVCLIPMQSA-N 0 0 379.865 4.894 50 10 GJCARN Cc1ccc2[nH]c(=NNC(=S)Nc3ccccc3)nc(-c3ccccc3)c2c1 ZINC000001295472 212233603 /nfs/dbraw/zinc/23/36/03/212233603.db2.gz KFKZPNNZOPIWNE-UHFFFAOYSA-N 0 0 385.496 4.919 50 10 GJCARN COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)C2)c(O)c1 ZINC000001279865 212233699 /nfs/dbraw/zinc/23/36/99/212233699.db2.gz QMDBMRNDDPWKEL-UXZSZYKQSA-N 0 0 398.462 4.792 50 10 GJCARN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(O)cc1 ZINC000001297973 212233270 /nfs/dbraw/zinc/23/32/70/212233270.db2.gz OHKREJASTSGPOU-ZROIWOOFSA-N 0 0 392.299 4.561 50 10 GJCARN COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000001235931 212232455 /nfs/dbraw/zinc/23/24/55/212232455.db2.gz MEOJLAGMNXLGAS-CXUHLZMHSA-N 0 0 391.901 4.763 50 10 GJCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000001123226 212220390 /nfs/dbraw/zinc/22/03/90/212220390.db2.gz RRTOBVPHPOCPJT-VGOFMYFVSA-N 0 0 394.836 4.793 50 10 GJCARN COc1ccccc1-c1c(C)oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@@H]2C)c1=O ZINC000003653128 212146147 /nfs/dbraw/zinc/14/61/47/212146147.db2.gz LEXIIBMSVNOCIL-HNNXBMFYSA-N 0 0 393.483 4.857 50 10 biogenic GJCARN COc1ccccc1Oc1coc2c(ccc([O-])c2C[N@@H+]2CCCC[C@H]2C)c1=O ZINC000020394735 206297505 /nfs/dbraw/zinc/29/75/05/206297505.db2.gz UXQROXIAEXJEEX-OAHLLOKOSA-N 0 0 395.455 4.674 50 10 biogenic GJCARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1O ZINC000000684573 206316562 /nfs/dbraw/zinc/31/65/62/206316562.db2.gz RYPCGUFJRBGVJA-HRAATJIYSA-N 0 0 378.453 4.705 50 10 GJCARN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc21)c1ccccc1 ZINC000002870167 206441967 /nfs/dbraw/zinc/44/19/67/206441967.db2.gz AOXLDXFRPQBDTI-QHCPKHFHSA-N 0 0 398.418 4.973 50 10 GJCARN CCCOc1ccc(OC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1 ZINC000003417978 206477538 /nfs/dbraw/zinc/47/75/38/206477538.db2.gz RZDTVHICOMVABW-UHFFFAOYSA-N 0 0 388.419 4.760 50 10 GJCARN COc1ccc(C2=C/C(=C\c3c(OC)ccc4ccccc43)C(=O)O2)c(OC)c1 ZINC000004472060 206521726 /nfs/dbraw/zinc/52/17/26/206521726.db2.gz OKJFCNQRDKFAJZ-FOWTUZBSSA-N 0 0 388.419 4.847 50 10 GJCARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)sc2c1 ZINC000005518629 206616065 /nfs/dbraw/zinc/61/60/65/206616065.db2.gz ZYRYBYSVIXPHAM-GZTJUZNOSA-N 0 0 392.484 4.640 50 10 GJCARN COc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1 ZINC000006454958 206651748 /nfs/dbraw/zinc/65/17/48/206651748.db2.gz NOBMVPDXNQTXRR-CQLSMYGBSA-N 0 0 395.505 4.808 50 10 GJCARN CN(C)c1ccc([C@@H](CNC(=O)C2CCCCC2)N2CCc3ccccc32)cc1 ZINC000009526964 206790222 /nfs/dbraw/zinc/79/02/22/206790222.db2.gz HHLIHWAJONCPHM-XMMPIXPASA-N 0 0 391.559 4.553 50 10 GJCARN Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2C(c3ccccc3)=CSC2=NC1=O ZINC000013894409 207004626 /nfs/dbraw/zinc/00/46/26/207004626.db2.gz KPQBYIGISFDNPP-DJCXZETLSA-N 0 0 384.464 4.781 50 10 GJCARN O=C1/C(=C/c2ccccc2F)N=C(c2ccccc2F)N1c1ccc(O)cc1 ZINC000013941776 207004864 /nfs/dbraw/zinc/00/48/64/207004864.db2.gz XHCVEUVZRGAEGQ-MOSHPQCFSA-N 0 0 376.362 4.505 50 10 GJCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000015010111 207041007 /nfs/dbraw/zinc/04/10/07/207041007.db2.gz VNZGWTGOQNLOIB-UYRXBGFRSA-N 0 0 384.476 4.908 50 10 GJCARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C2=N)S1 ZINC000031978805 207388504 /nfs/dbraw/zinc/38/85/04/207388504.db2.gz QEMOGOQRJFTSIM-KTVYXKAUSA-N 0 0 381.482 4.906 50 10 aggregator GJCARN CC[C@H](NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21)c1ccccc1O ZINC000089947920 208110859 /nfs/dbraw/zinc/11/08/59/208110859.db2.gz MEQMWELRMVFZED-INIZCTEOSA-N 0 0 379.460 4.810 50 10 GJCARN COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1Br ZINC000016948903 208232391 /nfs/dbraw/zinc/23/23/91/208232391.db2.gz FTUUVALTDHGLDC-YVLHZVERSA-N 0 0 399.288 4.881 50 10 GJCARN Oc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1 ZINC000102907379 208714341 /nfs/dbraw/zinc/71/43/41/208714341.db2.gz AVJQABJNILUNCY-FPOVZHCZSA-N 0 0 377.831 4.683 50 10 GJCARN Cc1cc(C(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)c(C)n1-c1ccccc1 ZINC000006122244 220920972 /nfs/dbraw/zinc/92/09/72/220920972.db2.gz SZRNCNDMGPDJEI-KRWDZBQOSA-N 0 0 387.439 4.794 50 10 GJCARN COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1ncc[nH]1 ZINC000012245890 221172757 /nfs/dbraw/zinc/17/27/57/221172757.db2.gz JKBQJZMKWNGEIZ-GOSISDBHSA-N 0 0 387.455 4.940 50 10 GJCARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1 ZINC000012569538 221209245 /nfs/dbraw/zinc/20/92/45/221209245.db2.gz NSMOXDZDDAVNEX-DEOSSOPVSA-N 0 0 399.494 4.603 50 10 GJCARN CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000012412003 221189815 /nfs/dbraw/zinc/18/98/15/221189815.db2.gz QVCBCYPNFBKJNT-ATVHPVEESA-N 0 0 385.261 4.654 50 10 GJCARN COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccccc2)cc1 ZINC000015768179 221343125 /nfs/dbraw/zinc/34/31/25/221343125.db2.gz AQZFFVAPLXECOR-LTGZKZEYSA-N 0 0 384.435 4.538 50 10 GJCARN Cc1ccc(C)c(NC2=NC(=O)C(=Cc3c(Cl)nc4ccccn43)S2)c1 ZINC000016440741 221363394 /nfs/dbraw/zinc/36/33/94/221363394.db2.gz RWRZBRLRJCMMTI-XNTDXEJSSA-N 0 0 382.876 4.687 50 10 GJCARN O=C(N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1 ZINC000017360755 221383819 /nfs/dbraw/zinc/38/38/19/221383819.db2.gz QDYVWPBPZWJQMG-LJQANCHMSA-N 0 0 389.842 4.508 50 10 GJCARN Cc1cc(C(=O)CSc2nnc(-c3ccc[nH]3)o2)c(C)n1-c1ccccc1F ZINC000018365331 221392363 /nfs/dbraw/zinc/39/23/63/221392363.db2.gz BADMHTXCWNEZRH-UHFFFAOYSA-N 0 0 396.447 4.586 50 10 GJCARN CCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 ZINC000021729005 221539553 /nfs/dbraw/zinc/53/95/53/221539553.db2.gz CFOLCQCBYGZHBA-JOCHJYFZSA-N 0 0 399.450 4.714 50 10 GJCARN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000033534084 221794362 /nfs/dbraw/zinc/79/43/62/221794362.db2.gz IVTDXYBOMALTDL-HMAPJEAMSA-N 0 0 399.494 4.804 50 10 GJCARN Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2Cc2ccco2)cc1 ZINC000044086187 221950817 /nfs/dbraw/zinc/95/08/17/221950817.db2.gz GRCRDMPRYSDXDS-UHFFFAOYSA-N 0 0 395.528 4.604 50 10 GJCARN COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccc(F)cc2)C1=O ZINC000000653904 570214247 /nfs/dbraw/zinc/21/42/47/570214247.db2.gz DKNJADYKWIOMMC-RCCKNPSSSA-N 0 0 386.426 4.977 50 10 GJCARN COc1ccccc1/C=C1\N=C(c2cccc(C)c2)N(c2ccc(F)cc2)C1=O ZINC000006090111 570241424 /nfs/dbraw/zinc/24/14/24/570241424.db2.gz DKNJADYKWIOMMC-QNGOZBTKSA-N 0 0 386.426 4.977 50 10 GJCARN Cc1ccc(C)c(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000002878609 570315293 /nfs/dbraw/zinc/31/52/93/570315293.db2.gz VIFYYQIEADIRSP-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000004850988 570346708 /nfs/dbraw/zinc/34/67/08/570346708.db2.gz YJLGZMOACHUDRB-VKAVYKQESA-N 0 0 391.558 4.710 50 10 GJCARN O=C(Nc1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000003995907 570353917 /nfs/dbraw/zinc/35/39/17/570353917.db2.gz CWWZXEXZUSLZPP-UHFFFAOYSA-N 0 0 376.799 4.759 50 10 GJCARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccccc2O)cc1 ZINC000004913303 570363523 /nfs/dbraw/zinc/36/35/23/570363523.db2.gz FWUPIILAYHDHCQ-JOCHJYFZSA-N 0 0 384.435 4.642 50 10 GJCARN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1cc(C)ccc1C ZINC000100507598 570375981 /nfs/dbraw/zinc/37/59/81/570375981.db2.gz OMLNVJTYSFDAMZ-BOPFTXTBSA-N 0 0 384.277 4.784 50 10 GJCARN CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000005050739 570426439 /nfs/dbraw/zinc/42/64/39/570426439.db2.gz YOMUBHCFAJMQQL-LFIBNONCSA-N 0 0 397.550 4.822 50 10 GJCARN CCOC(=O)c1c(C)n(C)c2c1C(=NNc1ccc([N+](=O)[O-])cc1)C(=O)C=C2 ZINC000252621397 570478863 /nfs/dbraw/zinc/47/88/63/570478863.db2.gz MXORHKUVAXSJEG-UHFFFAOYSA-N 0 0 382.376 4.693 50 10 GJCARN CCN(CC)c1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1 ZINC000000869243 570501703 /nfs/dbraw/zinc/50/17/03/570501703.db2.gz QMGIYQLIQGUDJE-OAQYLSRUSA-N 0 0 391.515 4.648 50 10 GJCARN CCN(CC)c1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1 ZINC000000869242 570501752 /nfs/dbraw/zinc/50/17/52/570501752.db2.gz QMGIYQLIQGUDJE-NRFANRHFSA-N 0 0 391.515 4.648 50 10 GJCARN COc1ccc2c(c1)N(C1CCCCC1)/C(=C1\SC(=S)N(C)C1=O)S2 ZINC000038199696 570502316 /nfs/dbraw/zinc/50/23/16/570502316.db2.gz VRZCBWJXQDVZIT-BMRADRMJSA-N 0 0 392.571 4.599 50 10 GJCARN O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000005201140 570504831 /nfs/dbraw/zinc/50/48/31/570504831.db2.gz UFAILHPNCRYCQD-NTEUORMPSA-N 0 0 376.846 4.654 50 10 GJCARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 ZINC000006711145 570546899 /nfs/dbraw/zinc/54/68/99/570546899.db2.gz BZFYAXVRQQSOFE-UHFFFAOYSA-N 0 0 375.403 4.952 50 10 GJCARN COc1cccc2c1O[C@H](c1ccccc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 ZINC000006721746 570550378 /nfs/dbraw/zinc/55/03/78/570550378.db2.gz OYWPLXXKJRKSTJ-HYBUGGRVSA-N 0 0 386.451 4.952 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O ZINC000012418337 570657109 /nfs/dbraw/zinc/65/71/09/570657109.db2.gz WZADKFLHKUWABH-ZSOIEALJSA-N 0 0 395.864 4.599 50 10 GJCARN CCN1C(=O)/C(=C\c2ccccc2OC/C=C/c2ccccc2)SC1=S ZINC000006951861 570721301 /nfs/dbraw/zinc/72/13/01/570721301.db2.gz DLZFXAFRXHUIII-URDYEQAASA-N 0 0 381.522 5.000 50 10 GJCARN CCOc1ccccc1NC1=NC(=O)C(=Cc2ccc(OCC)c(OC)c2)S1 ZINC000000959652 570739682 /nfs/dbraw/zinc/73/96/82/570739682.db2.gz SNDGRXQDGNGTDO-UYRXBGFRSA-N 0 0 398.484 4.575 50 10 GJCARN OCC1CCN(c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)CC1 ZINC000052446515 570749693 /nfs/dbraw/zinc/74/96/93/570749693.db2.gz QQPZQIKPPRBWGB-UHFFFAOYSA-N 0 0 399.844 4.575 50 10 GJCARN CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OCC)c1 ZINC000013476995 570755669 /nfs/dbraw/zinc/75/56/69/570755669.db2.gz IPLHTTYLMFDKBV-LDADJPATSA-N 0 0 385.510 4.890 50 10 GJCARN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000013685626 570774202 /nfs/dbraw/zinc/77/42/02/570774202.db2.gz BLCNYZLQCIQLMM-VCHYOVAHSA-N 0 0 393.493 4.532 50 10 GJCARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(C)cc4C)N=C3C)sc2c1 ZINC000101122637 570815324 /nfs/dbraw/zinc/81/53/24/570815324.db2.gz KPMGUMPUHSNAOM-LFIBNONCSA-N 0 0 392.484 4.640 50 10 GJCARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4cccc(Cl)c4)N=C3C)sc2c1 ZINC000101129557 570815658 /nfs/dbraw/zinc/81/56/58/570815658.db2.gz LQZQUIATXJTHJT-XNTDXEJSSA-N 0 0 398.875 4.677 50 10 GJCARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000101656063 570828721 /nfs/dbraw/zinc/82/87/21/570828721.db2.gz WIGOLPLZGNTLSY-RIYZIHGNSA-N 0 0 382.287 4.712 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)c1 ZINC000239611694 570834803 /nfs/dbraw/zinc/83/48/03/570834803.db2.gz FAUDGJUSQSZCOA-RXVVDRJESA-N 0 0 396.899 5.658 50 10 GJCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000007423427 570840907 /nfs/dbraw/zinc/84/09/07/570840907.db2.gz PJTGSBSIAHNDHR-UHFFFAOYSA-N 0 0 393.846 4.750 50 10 GJCARN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(C)cc1 ZINC000103515977 570886069 /nfs/dbraw/zinc/88/60/69/570886069.db2.gz BTDFCRAVQFRMSI-KGENOOAVSA-N 0 0 375.468 4.879 50 10 GJCARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O ZINC000001237957 570947721 /nfs/dbraw/zinc/94/77/21/570947721.db2.gz OPIZDXCWDFDWKJ-WOJGMQOQSA-N 0 0 385.510 4.814 50 10 GJCARN CCCCOc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 ZINC000002117973 570953327 /nfs/dbraw/zinc/95/33/27/570953327.db2.gz LUEOZYKVFYZEGE-UHFFFAOYSA-N 0 0 391.467 4.817 50 10 biogenic GJCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000001748609 212256305 /nfs/dbraw/zinc/25/63/05/212256305.db2.gz KLHTVTDQTMTROY-XMHGGMMESA-N 0 0 382.554 4.934 50 10 GJCARN O=C1NC(=S)S/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000001216200 212230049 /nfs/dbraw/zinc/23/00/49/212230049.db2.gz PRFCICSJTUSZHA-UNOMPAQXSA-N 0 0 377.490 4.908 50 10 GJCARN CN(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1 ZINC000000986737 212202920 /nfs/dbraw/zinc/20/29/20/212202920.db2.gz WCEUQHZNHZEKPS-UHFFFAOYSA-N 0 0 387.439 4.578 50 10 GJCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000000638390 212168864 /nfs/dbraw/zinc/16/88/64/212168864.db2.gz DWAGBYCBADIBTR-UHFFFAOYSA-N 0 0 396.493 4.778 50 10 GJCARN COc1cccc(Oc2coc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)c2=O)c1 ZINC000005219028 206293585 /nfs/dbraw/zinc/29/35/85/206293585.db2.gz NKOSXXUTYNCMTD-HNNXBMFYSA-N 0 0 395.455 4.674 50 10 biogenic GJCARN CCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O ZINC000000869237 206328531 /nfs/dbraw/zinc/32/85/31/206328531.db2.gz JMTVJWPQYBJTGF-GOSISDBHSA-N 0 0 375.255 4.863 50 10 GJCARN COc1ccc(N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)cc1 ZINC000001128969 206356318 /nfs/dbraw/zinc/35/63/18/206356318.db2.gz WJOSRFMOXORELV-UHFFFAOYSA-N 0 0 386.904 4.526 50 10 GJCARN CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1 ZINC000001306618 206372264 /nfs/dbraw/zinc/37/22/64/206372264.db2.gz LBFUJGYLPBKREA-OQKWZONESA-N 0 0 396.446 4.698 50 10 GJCARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O ZINC000001416530 206378938 /nfs/dbraw/zinc/37/89/38/206378938.db2.gz UAORIHGLHBYAID-VIZOYTHASA-N 0 0 395.864 4.599 50 10 GJCARN COc1ccccc1NCc1cc(Br)cc(Br)c1O ZINC000001406663 206379886 /nfs/dbraw/zinc/37/98/86/206379886.db2.gz IPSCWEDONORGTQ-UHFFFAOYSA-N 0 0 387.071 4.538 50 10 GJCARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(OCC)c1 ZINC000001515437 206385518 /nfs/dbraw/zinc/38/55/18/206385518.db2.gz IPLHTTYLMFDKBV-PDGQHHTCSA-N 0 0 385.510 4.890 50 10 GJCARN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Br)cc1 ZINC000001214283 206368147 /nfs/dbraw/zinc/36/81/47/206368147.db2.gz HKZATHNOABFWKS-NTEUORMPSA-N 0 0 392.299 4.561 50 10 GJCARN CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000002062270 206397140 /nfs/dbraw/zinc/39/71/40/206397140.db2.gz YPJIQOCDYBUYOF-PVMIXHCPSA-N 0 0 384.501 4.854 50 10 GJCARN Cc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000013749465 206998082 /nfs/dbraw/zinc/99/80/82/206998082.db2.gz BFQUGTKBOCVDNN-QNGOZBTKSA-N 0 0 383.407 4.738 50 10 GJCARN O=C1NC(=Cc2ccc(N3CCCCC3)cc2F)C(=O)N1c1cccc(Cl)c1 ZINC000014009877 207007657 /nfs/dbraw/zinc/00/76/57/207007657.db2.gz MQUMRLWEDFKONC-YBFXNURJSA-N 0 0 399.853 4.567 50 10 GJCARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000015822273 208794582 /nfs/dbraw/zinc/79/45/82/208794582.db2.gz YQXHZOBGXSQJDQ-RZNTYIFUSA-N 0 0 375.211 4.528 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)c(OC)c1 ZINC000001133699 220477539 /nfs/dbraw/zinc/47/75/39/220477539.db2.gz MIEUXUQWMFSBLM-PDGQHHTCSA-N 0 0 391.558 4.875 50 10 GJCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000004150651 220687183 /nfs/dbraw/zinc/68/71/83/220687183.db2.gz XCKHETCOJDREOQ-UGWYOXCXSA-N 0 0 396.903 4.915 50 10 GJCARN O=C(Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1c(F)cccc1F ZINC000004965720 220801800 /nfs/dbraw/zinc/80/18/00/220801800.db2.gz DBSIUOXCJDKGQZ-UHFFFAOYSA-N 0 0 397.764 4.646 50 10 GJCARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(C)ccc4O)=NN32)c1 ZINC000006721672 220953470 /nfs/dbraw/zinc/95/34/70/220953470.db2.gz KHAAOUWXXPDLFC-ZJSXRUAMSA-N 0 0 386.451 4.952 50 10 GJCARN CCOc1ccc(NC(=O)NCc2cc(C)n(-c3ccccc3OC)c2C)cc1 ZINC000009228880 221074733 /nfs/dbraw/zinc/07/47/33/221074733.db2.gz FHOMUEIIDNPSEH-UHFFFAOYSA-N 0 0 393.487 4.823 50 10 GJCARN COc1ccc(OC)c(NC(=O)NCc2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000009228702 221074802 /nfs/dbraw/zinc/07/48/02/221074802.db2.gz PYLZREDNNWMNKJ-UHFFFAOYSA-N 0 0 397.450 4.572 50 10 GJCARN CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(C)C1=O ZINC000016157376 221359093 /nfs/dbraw/zinc/35/90/93/221359093.db2.gz HCPCQDJNMAIKJV-HEKJOVTRSA-N 0 0 392.571 4.623 50 10 GJCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=N)S1 ZINC000018055076 221386215 /nfs/dbraw/zinc/38/62/15/221386215.db2.gz IPOGJLOCODZXKO-AJUKGGFZSA-N 0 0 398.875 4.875 50 10 GJCARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000029762012 221696852 /nfs/dbraw/zinc/69/68/52/221696852.db2.gz RXAWGADTPSTXDJ-UHFFFAOYSA-N 0 0 393.434 4.620 50 10 GJCARN COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000033623831 221793956 /nfs/dbraw/zinc/79/39/56/221793956.db2.gz NLASSTUTATZQEA-CJLVFECKSA-N 0 0 384.435 4.538 50 10 GJCARN Cc1ccc([S@@](C)(=O)=Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000036559038 221859824 /nfs/dbraw/zinc/85/98/24/221859824.db2.gz KVLLQUPYHFLHFX-HHHXNRCGSA-N 0 0 375.449 4.559 50 10 GJCARN COc1cccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3ccccc3O)C2)c1 ZINC000053363369 222009009 /nfs/dbraw/zinc/00/90/09/222009009.db2.gz OXDFTLCPJVXGBN-FYYLOGMGSA-N 0 0 376.431 4.762 50 10 GJCARN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1 ZINC000065030157 222096243 /nfs/dbraw/zinc/09/62/43/222096243.db2.gz HENMIZQGBWMTNU-UHFFFAOYSA-N 0 0 377.463 4.664 50 10 GJCARN CCOc1cc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1O ZINC000019842991 520771920 /nfs/dbraw/zinc/77/19/20/520771920.db2.gz HTVCMQHJWJYEJU-OAQYLSRUSA-N 0 0 387.439 4.641 50 10 GJCARN COc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)sc2cccc(F)c21 ZINC000064756376 536845311 /nfs/dbraw/zinc/84/53/11/536845311.db2.gz YCUKEOHFRVKYSE-UHFFFAOYSA-N 0 0 398.503 4.969 50 10 GJCARN CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000004817153 570235916 /nfs/dbraw/zinc/23/59/16/570235916.db2.gz BDHSTNWDSOIJGT-SAPNQHFASA-N 0 0 381.479 4.681 50 10 GJCARN COc1cc2c(cc1NCC(=O)N1CCc3ccccc3C1)oc1ccccc12 ZINC000011619234 570237802 /nfs/dbraw/zinc/23/78/02/570237802.db2.gz LRQUOPPSSYQGOJ-UHFFFAOYSA-N 0 0 386.451 4.591 50 10 GJCARN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CC)C3=O)c2c1 ZINC000001163236 570252025 /nfs/dbraw/zinc/25/20/25/570252025.db2.gz HFSNDQXCNQGLEM-PDGQHHTCSA-N 0 0 387.526 4.858 50 10 GJCARN COc1ccccc1/C=C/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000001164527 570252369 /nfs/dbraw/zinc/25/23/69/570252369.db2.gz MDDOODZPMOBEHY-GIRMVSSCSA-N 0 0 381.522 4.961 50 10 GJCARN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@@H+]2CCCC[C@H]2C)c1[O-] ZINC000004824782 570292235 /nfs/dbraw/zinc/29/22/35/570292235.db2.gz FOSBHTHVGCKDJJ-CQSZACIVSA-N 0 0 398.528 4.867 50 10 GJCARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1 ZINC000002688615 570295110 /nfs/dbraw/zinc/29/51/10/570295110.db2.gz YWSSMSCCTHQXCJ-LDADJPATSA-N 0 0 391.521 4.679 50 10 GJCARN CC(=O)Oc1ccc(Cl)cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000002873519 570314111 /nfs/dbraw/zinc/31/41/11/570314111.db2.gz BRVIRHUGELONLB-RIYZIHGNSA-N 0 0 375.207 4.900 50 10 GJCARN Cc1cc(C)cc(OCCCOc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000002874092 570314247 /nfs/dbraw/zinc/31/42/47/570314247.db2.gz NDBMPQKQRNIQJJ-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=N)S1 ZINC000003864201 570352660 /nfs/dbraw/zinc/35/26/60/570352660.db2.gz GXWXGSADKOQDDW-SQQRRHNYSA-N 0 0 384.848 4.629 50 10 GJCARN COc1cccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)c1 ZINC000004543583 570382971 /nfs/dbraw/zinc/38/29/71/570382971.db2.gz OLAVATCFCGUZCR-DTQAZKPQSA-N 0 0 397.478 4.631 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(COc3cccc(Cl)c3)o2)SC1=S ZINC000004652227 570389727 /nfs/dbraw/zinc/38/97/27/570389727.db2.gz DVFHTNPCIYEOCN-OQLLNIDSSA-N 0 0 379.890 4.733 50 10 GJCARN COc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(C)cc4C)N=C3C)sc2c1 ZINC000100552386 570391643 /nfs/dbraw/zinc/39/16/43/570391643.db2.gz KPMGUMPUHSNAOM-WJDWOHSUSA-N 0 0 392.484 4.640 50 10 GJCARN O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccccc1C(F)(F)F ZINC000025062536 570405055 /nfs/dbraw/zinc/40/50/55/570405055.db2.gz HJXHHGMDMPDXFC-UHFFFAOYSA-N 0 0 387.333 4.591 50 10 GJCARN Cc1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1 ZINC000033720726 570405786 /nfs/dbraw/zinc/40/57/86/570405786.db2.gz FLGDCAFNJKQVQA-WZBMNHFVSA-N 0 0 394.887 4.510 50 10 GJCARN Cc1cc(C)cc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 ZINC000005102399 570429540 /nfs/dbraw/zinc/42/95/40/570429540.db2.gz XEKGBGZIFXOSRA-UYRXBGFRSA-N 0 0 399.537 4.592 50 10 GJCARN Cc1cc(C)c2c(N)c(C(=O)OCc3coc(-c4ccc(F)cc4)n3)sc2n1 ZINC000026941279 570430273 /nfs/dbraw/zinc/43/02/73/570430273.db2.gz IRBSZTVCXQDCDK-UHFFFAOYSA-N 0 0 397.431 4.646 50 10 GJCARN CCN(CC)c1ccc(CN(C(=O)c2ccccc2OC)c2ccccn2)cc1 ZINC000028289446 570455586 /nfs/dbraw/zinc/45/55/86/570455586.db2.gz TVFBQOVZLNMSLU-UHFFFAOYSA-N 0 0 389.499 4.783 50 10 GJCARN CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000005171764 570491538 /nfs/dbraw/zinc/49/15/38/570491538.db2.gz ZIWOVCGOIJRUGE-MHWRWJLKSA-N 0 0 375.902 4.750 50 10 GJCARN CN(C)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3Cl)C2=O)cc1 ZINC000003067955 570534023 /nfs/dbraw/zinc/53/40/23/570534023.db2.gz KRLKPSUIMBEIFR-GZTJUZNOSA-N 0 0 387.892 4.512 50 10 GJCARN CCCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc(Cl)c3)C2=N)S1 ZINC000032964105 570547743 /nfs/dbraw/zinc/54/77/43/570547743.db2.gz RGYWOWTXSNAPCA-JXTMRIRHSA-N 0 0 397.891 4.550 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccccc1C)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000006721728 570550464 /nfs/dbraw/zinc/55/04/64/570550464.db2.gz BUUHTXJGCMWZBH-RDPSFJRHSA-N 0 0 386.451 4.952 50 10 GJCARN Cc1c2ccccc2oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000006747968 570566678 /nfs/dbraw/zinc/56/66/78/570566678.db2.gz MKSFSVQOANECAL-FQEVSTJZSA-N 0 0 392.499 4.629 50 10 GJCARN CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000006781045 570589154 /nfs/dbraw/zinc/58/91/54/570589154.db2.gz STAIKBSJSMRROI-UHFFFAOYSA-N 0 0 396.874 4.968 50 10 GJCARN O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000039358086 570589276 /nfs/dbraw/zinc/58/92/76/570589276.db2.gz KEVOERSWOZWCEO-IBGZPJMESA-N 0 0 376.456 4.503 50 10 GJCARN COc1cccc2c1O[C@@H](c1ccccc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000169681534 570602123 /nfs/dbraw/zinc/60/21/23/570602123.db2.gz OYWPLXXKJRKSTJ-RDPSFJRHSA-N 0 0 386.451 4.952 50 10 GJCARN CCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000006804322 570607992 /nfs/dbraw/zinc/60/79/92/570607992.db2.gz KBJLPYNGXUDUOX-UHFFFAOYSA-N 0 0 392.499 4.977 50 10 GJCARN Cc1ccc(NC(=S)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC000013039516 570743275 /nfs/dbraw/zinc/74/32/75/570743275.db2.gz KGFLFHUHQUWJQW-KRWDZBQOSA-N 0 0 390.936 4.732 50 10 GJCARN COc1cc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc(OC)c1OC ZINC000006681998 570748795 /nfs/dbraw/zinc/74/87/95/570748795.db2.gz RORWGNUOHHNHAF-GRSHGNNSSA-N 0 0 388.419 4.847 50 10 GJCARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000013137848 570763857 /nfs/dbraw/zinc/76/38/57/570763857.db2.gz KQFVEOPVRIHXDO-YBEGLDIGSA-N 0 0 390.668 4.821 50 10 GJCARN Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccccc1F ZINC000007423324 570840777 /nfs/dbraw/zinc/84/07/77/570840777.db2.gz DDEXSCZLJBOPJK-UHFFFAOYSA-N 0 0 375.856 4.610 50 10 GJCARN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000004702389 570849641 /nfs/dbraw/zinc/84/96/41/570849641.db2.gz GTRBHBPZAWZTOO-DEDYPNTBSA-N 0 0 391.858 4.845 50 10 GJCARN CCCCCOc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1OC ZINC000004539055 570850558 /nfs/dbraw/zinc/85/05/58/570850558.db2.gz CKAXAYUXNQBENW-OAQYLSRUSA-N 0 0 396.487 4.667 50 10 GJCARN Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2CC(C)C)cc1 ZINC000044085813 570862751 /nfs/dbraw/zinc/86/27/51/570862751.db2.gz ZORALJFJXMNWGG-UHFFFAOYSA-N 0 0 386.546 4.702 50 10 GJCARN COC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000103697842 570888716 /nfs/dbraw/zinc/88/87/16/570888716.db2.gz FPDPKGBSWXAYRV-XSFVSMFZSA-N 0 0 386.407 4.539 50 10 GJCARN CCCCCCN1C(=O)/C(=C2\c3ccccc3N(CCC)C2=O)SC1=S ZINC000002672928 570947799 /nfs/dbraw/zinc/94/77/99/570947799.db2.gz MAOPDIRZQLSCOA-MSUUIHNZSA-N 0 0 388.558 4.595 50 10 GJCARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(SC)cc1 ZINC000033286602 570954865 /nfs/dbraw/zinc/95/48/65/570954865.db2.gz QOFPAQMHMSSQMG-DEDYPNTBSA-N 0 0 393.508 4.903 50 10 GJCARN CCCCc1ccc(NC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1 ZINC000004748724 570963488 /nfs/dbraw/zinc/96/34/88/570963488.db2.gz PBDCRMLFVYALLT-UHFFFAOYSA-N 0 0 398.462 4.639 50 10 GJCARN COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000004791682 570992761 /nfs/dbraw/zinc/99/27/61/570992761.db2.gz HLXJWQWUINFVRN-LFIBNONCSA-N 0 0 393.917 4.838 50 10 GJCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=N)S1 ZINC000004811368 570998571 /nfs/dbraw/zinc/99/85/71/570998571.db2.gz VMIZPFMMKOKITQ-QBILMKHKSA-N 0 0 382.420 4.505 50 10 GJCARN O=C(c1nc(Cl)ccc1Cl)N(Cc1ccco1)Cc1ccccc1O ZINC000084504640 571019970 /nfs/dbraw/zinc/01/99/70/571019970.db2.gz YMDWPCNUBIFCDY-UHFFFAOYSA-N 0 0 377.227 4.530 50 10 GJCARN CCCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+](C)C)c1[O-] ZINC000001507203 212248106 /nfs/dbraw/zinc/24/81/06/212248106.db2.gz BAZSEFLMNFNMNY-UHFFFAOYSA-N 0 0 394.496 4.789 50 10 biogenic GJCARN O=C1c2ccccc2C(=O)C1(Nc1cccc(Br)c1)c1ccccc1 ZINC000001430206 212244563 /nfs/dbraw/zinc/24/45/63/212244563.db2.gz XJRRJKYJGTWBLI-UHFFFAOYSA-N 0 0 392.252 4.836 50 10 GJCARN Cc1c2ccc([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2oc(=O)c1Cc1ccccc1 ZINC000001256335 212232319 /nfs/dbraw/zinc/23/23/19/212232319.db2.gz BHJNDUBILNOCKM-MRXNPFEDSA-N 0 0 377.484 4.630 50 10 GJCARN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc(O)cc1 ZINC000001002975 212204504 /nfs/dbraw/zinc/20/45/04/212204504.db2.gz XCVQKXMSKDWAQL-ZROIWOOFSA-N 0 0 392.299 4.561 50 10 GJCARN COc1ccc(-c2coc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)c2=O)cc1 ZINC000020411724 206296302 /nfs/dbraw/zinc/29/63/02/206296302.db2.gz PYJVKFYMNGEDKC-HNNXBMFYSA-N 0 0 379.456 4.549 50 10 biogenic GJCARN CCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O ZINC000000869236 206329578 /nfs/dbraw/zinc/32/95/78/206329578.db2.gz JMTVJWPQYBJTGF-SFHVURJKSA-N 0 0 375.255 4.863 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OC ZINC000001087670 206350656 /nfs/dbraw/zinc/35/06/56/206350656.db2.gz YFFUUXSGDJRMRK-CYUIRQCWSA-N 0 0 385.510 4.666 50 10 GJCARN Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 ZINC000001406683 206378797 /nfs/dbraw/zinc/37/87/97/206378797.db2.gz RSAVHLHUQZXMTJ-UHFFFAOYSA-N 0 0 375.035 4.668 50 10 GJCARN Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1C ZINC000001217932 206369612 /nfs/dbraw/zinc/36/96/12/206369612.db2.gz ADOYXTFOCLGQCD-AQTBWJFISA-N 0 0 396.537 4.533 50 10 GJCARN COc1ccc(C=C2SC(Nc3ccc(Br)cc3)=NC2=O)cc1 ZINC000001218219 206369706 /nfs/dbraw/zinc/36/97/06/206369706.db2.gz RBWMPDWRPKFITP-XNTDXEJSSA-N 0 0 389.274 4.540 50 10 GJCARN CN(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc1 ZINC000004913693 206570836 /nfs/dbraw/zinc/57/08/36/206570836.db2.gz LEVOIKJTRLSWOE-LIRRHRJNSA-N 0 0 383.561 4.819 50 10 GJCARN Nc1ccc2c(c1Oc1ccc(Br)cc1)C(=O)c1ccccc1C2=O ZINC000004819216 206558123 /nfs/dbraw/zinc/55/81/23/206558123.db2.gz IYEWPGBXCNUTSR-UHFFFAOYSA-N 0 0 394.224 4.599 50 10 GJCARN CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S ZINC000005671752 206624457 /nfs/dbraw/zinc/62/44/57/206624457.db2.gz VCCACJPDGMJBIT-SFQUDFHCSA-N 0 0 395.509 4.744 50 10 GJCARN COc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000006781008 206676034 /nfs/dbraw/zinc/67/60/34/206676034.db2.gz ROPPJHTZGZVFMT-UHFFFAOYSA-N 0 0 376.456 4.541 50 10 GJCARN CN(C(=O)CSc1ncc(-c2ccccc2)n1C)[C@H]1CCCc2ccccc21 ZINC000007131202 206703635 /nfs/dbraw/zinc/70/36/35/206703635.db2.gz KSIHAFFZQIIXJU-FQEVSTJZSA-N 0 0 391.540 4.715 50 10 GJCARN COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1 ZINC000013602856 206984862 /nfs/dbraw/zinc/98/48/62/206984862.db2.gz KJWJNJDAJJBQKM-SXGWCWSVSA-N 0 0 391.901 4.763 50 10 GJCARN C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O ZINC000016733500 207077375 /nfs/dbraw/zinc/07/73/75/207077375.db2.gz GSOBOJUAHQQZFW-LPXFMOJISA-N 0 0 397.496 4.934 50 10 GJCARN CSCC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cc(C)ccc3O)=NN21 ZINC000020070915 207178025 /nfs/dbraw/zinc/17/80/25/207178025.db2.gz MFSPTLQKOZTHFS-XLIONFOSSA-N 0 0 388.920 4.977 50 10 GJCARN Oc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4O)=NN32)cc1 ZINC000020070730 207178122 /nfs/dbraw/zinc/17/81/22/207178122.db2.gz PUNIZFWMYQLHJN-UGKGYDQZSA-N 0 0 392.842 4.994 50 10 GJCARN O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(C[NH2+]Cc3cccnc3)c2o1 ZINC000020573138 207204005 /nfs/dbraw/zinc/20/40/05/207204005.db2.gz YXRGWKRAOLSITC-UHFFFAOYSA-N 0 0 392.842 4.504 50 10 GJCARN O=c1c(-c2ccc(F)cc2)coc2c1ccc([O-])c2C[NH2+]Cc1ccccc1 ZINC000032501386 207397599 /nfs/dbraw/zinc/39/75/99/207397599.db2.gz QYEXRSWEIOIMOA-UHFFFAOYSA-N 0 0 375.399 4.595 50 10 GJCARN O=c1c(C23CC4CC(CC(C4)C2)C3)c([O-])n(-c2ccccc2)n1-c1ccccc1 ZINC000100301154 208373553 /nfs/dbraw/zinc/37/35/53/208373553.db2.gz KJUJZBCNDZBMFW-UHFFFAOYSA-N 0 0 386.495 4.814 50 10 GJCARN COc1ccc2oc(=O)c(-c3csc(-c4ccc(N(C)C)cc4)n3)cc2c1 ZINC000002957560 220588172 /nfs/dbraw/zinc/58/81/72/220588172.db2.gz BRBVLZSIQMAWEL-UHFFFAOYSA-N 0 0 378.453 4.658 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(OC)c1 ZINC000004749357 220760641 /nfs/dbraw/zinc/76/06/41/220760641.db2.gz HZJGSOFWAIFHNG-NCUBORBFSA-N 0 0 385.510 4.666 50 10 GJCARN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 ZINC000005172492 220839679 /nfs/dbraw/zinc/83/96/79/220839679.db2.gz GRQDLTRHEJQBRL-DHDCSXOGSA-N 0 0 390.873 4.650 50 10 GJCARN O=C1N=C(Nc2ccccc2C(F)(F)F)SC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000005551426 220881775 /nfs/dbraw/zinc/88/17/75/220881775.db2.gz YMZBNAGOLPTMBW-ZROIWOOFSA-N 0 0 393.346 4.696 50 10 GJCARN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1Cl ZINC000006272766 220926240 /nfs/dbraw/zinc/92/62/40/220926240.db2.gz WKPYQXYUAGENGL-JXAWBTAJSA-N 0 0 385.891 4.903 50 10 GJCARN Cc1ccccc1N1C(=O)c2ccccc2/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000007167971 220988115 /nfs/dbraw/zinc/98/81/15/220988115.db2.gz ZCHOLOAYFONALM-JWGURIENSA-N 0 0 382.463 4.789 50 10 GJCARN Cc1ccccc1Nc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=S)s1 ZINC000012587798 221211669 /nfs/dbraw/zinc/21/16/69/221211669.db2.gz FPMFMZIEMIUDOV-UHFFFAOYSA-N 0 0 399.589 4.882 50 10 GJCARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000013712910 221283122 /nfs/dbraw/zinc/28/31/22/221283122.db2.gz GJOOOSPLPCJMGC-ZSOIEALJSA-N 0 0 381.400 4.817 50 10 GJCARN CC1=CN2C(=NC(=O)/C(=C\c3ccc(OCc4ccccc4C)cc3)C2=N)S1 ZINC000017146012 221379511 /nfs/dbraw/zinc/37/95/11/221379511.db2.gz IZHOXFVDONICMI-FNYLDBEHSA-N 0 0 389.480 4.741 50 10 GJCARN Cc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000020037284 221467706 /nfs/dbraw/zinc/46/77/06/221467706.db2.gz DFWZPQPAQODOPE-VFTZQNCVSA-N 0 0 390.512 4.878 50 10 GJCARN Cc1cc(C(=O)[C@@H](C)OC(=O)C=Cc2cccs2)c(C)n1-c1ccccc1 ZINC000032876703 221743433 /nfs/dbraw/zinc/74/34/33/221743433.db2.gz OQEXUSWZGFSFFB-FMQWLBJXSA-N 0 0 379.481 4.983 50 10 GJCARN CCN(CC)c1ccc([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN23)cc1 ZINC000085988290 222325867 /nfs/dbraw/zinc/32/58/67/222325867.db2.gz TUXQIKKOBOFFSF-LEWJYISDSA-N 0 0 383.923 4.696 50 10 GJCARN Cc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)oc2c1c(C)ccc2C ZINC000084147904 222315188 /nfs/dbraw/zinc/31/51/88/222315188.db2.gz NKBAAQADYOEZON-LJQANCHMSA-N 0 0 393.483 4.885 50 10 GJCARN Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 ZINC000102907328 222486319 /nfs/dbraw/zinc/48/63/19/222486319.db2.gz LGNGKURHLYJPQX-UGKGYDQZSA-N 0 0 391.858 4.991 50 10 GJCARN Cc1ccc(Cl)cc1NC1=NC(=O)C(=Cc2cc3c(cc2C)OCO3)S1 ZINC000006088564 570210355 /nfs/dbraw/zinc/21/03/55/570210355.db2.gz ZFENYOSYJRTPKQ-REZTVBANSA-N 0 0 386.860 4.768 50 10 GJCARN COC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 ZINC000001153859 570249604 /nfs/dbraw/zinc/24/96/04/570249604.db2.gz NNIVPRRHDYVGOO-GDNBJRDFSA-N 0 0 389.885 4.532 50 10 GJCARN Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c([O-])c1C[N@H+]1CCC[C@H](C)C1 ZINC000020290769 570251878 /nfs/dbraw/zinc/25/18/78/570251878.db2.gz ICMSVXKABUIKEH-INIZCTEOSA-N 0 0 391.511 4.938 50 10 GJCARN CC[NH+](CC)Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21 ZINC000020292135 570251946 /nfs/dbraw/zinc/25/19/46/570251946.db2.gz JHOAYCMWMHFQIB-UHFFFAOYSA-N 0 0 385.891 4.893 50 10 GJCARN O=C1/C(=C\c2cc(Br)ccc2O)SC(=S)N1C1CCCCC1 ZINC000001175847 570254080 /nfs/dbraw/zinc/25/40/80/570254080.db2.gz MMPASIKIYLGMPB-NTEUORMPSA-N 0 0 398.347 4.689 50 10 GJCARN Cc1ccccc1COc1ccc(Cl)cc1C=C1SC(=S)NC1=O ZINC000001179637 570254692 /nfs/dbraw/zinc/25/46/92/570254692.db2.gz GPSHLSVDVYQVHJ-CXUHLZMHSA-N 0 0 375.902 4.716 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000002252910 570280496 /nfs/dbraw/zinc/28/04/96/570280496.db2.gz UKAXQRYXONYJCW-PXNMLYILSA-N 0 0 391.901 4.768 50 10 GJCARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(F)(F)F)c2)C3=O)cc1 ZINC000002944679 570319065 /nfs/dbraw/zinc/31/90/65/570319065.db2.gz XNMVTRFKFKGLCK-UHFFFAOYSA-N 0 0 398.340 4.881 50 10 GJCARN COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1O ZINC000003970057 570353869 /nfs/dbraw/zinc/35/38/69/570353869.db2.gz JBSTZSMPPUVWOY-NTUHNPAUSA-N 0 0 377.227 4.514 50 10 GJCARN CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1OCC ZINC000004613892 570387588 /nfs/dbraw/zinc/38/75/88/570387588.db2.gz CEXYEXMKQGCZNB-ZHZULCJRSA-N 0 0 378.472 4.989 50 10 GJCARN CSc1ccc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc1 ZINC000004656116 570390117 /nfs/dbraw/zinc/39/01/17/570390117.db2.gz GBNNQLJFWQHTFH-OXMFYWCOSA-N 0 0 395.484 4.852 50 10 GJCARN CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)SC1=S ZINC000006379253 570399930 /nfs/dbraw/zinc/39/99/30/570399930.db2.gz MNBKFFYTUSTKHR-YBEGLDIGSA-N 0 0 375.902 4.750 50 10 GJCARN Cc1ccc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)cc1C ZINC000004755069 570403107 /nfs/dbraw/zinc/40/31/07/570403107.db2.gz DCMGOZHKBPTLDE-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC ZINC000004836842 570409685 /nfs/dbraw/zinc/40/96/85/570409685.db2.gz YFFUUXSGDJRMRK-FDIDITGRSA-N 0 0 385.510 4.666 50 10 GJCARN C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C1 ZINC000004949508 570419464 /nfs/dbraw/zinc/41/94/64/570419464.db2.gz RJKQSDZKHOSBER-VBEHJTROSA-N 0 0 397.456 4.557 50 10 GJCARN CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)cc1 ZINC000005128988 570422316 /nfs/dbraw/zinc/42/23/16/570422316.db2.gz JTMLTSHTXXMJDH-HSZRJFAPSA-N 0 0 387.458 4.883 50 10 GJCARN CCC1=CC(=NNc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)C=C1 ZINC000005877389 570459816 /nfs/dbraw/zinc/45/98/16/570459816.db2.gz KVNQSBQDEDHSRG-QURGRASLSA-N 0 0 387.505 4.791 50 10 GJCARN CCn1ccnc1-c1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000130902723 570464660 /nfs/dbraw/zinc/46/46/60/570464660.db2.gz BBZIWIIXKABYQJ-UHFFFAOYSA-N 0 0 385.471 4.625 50 10 GJCARN Cc1scnc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O ZINC000006527597 570466261 /nfs/dbraw/zinc/46/62/61/570466261.db2.gz FMIPYPWEIHDGOF-KRWDZBQOSA-N 0 0 397.887 4.802 50 10 GJCARN N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000005162563 570467892 /nfs/dbraw/zinc/46/78/92/570467892.db2.gz MOFWLZZUJXZQKM-DXGGMCDASA-N 0 0 384.480 4.805 50 10 GJCARN CCC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O ZINC000000869285 570501808 /nfs/dbraw/zinc/50/18/08/570501808.db2.gz QOAKBXJYFIBKGC-QGZVFWFLSA-N 0 0 375.255 4.863 50 10 GJCARN CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000002961074 570522699 /nfs/dbraw/zinc/52/26/99/570522699.db2.gz YDDVAUOCQQAWPG-YBEGLDIGSA-N 0 0 375.902 4.750 50 10 GJCARN CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000002971013 570523649 /nfs/dbraw/zinc/52/36/49/570523649.db2.gz IZPCMLNDKUVSMD-UHFFFAOYSA-N 0 0 380.440 4.511 50 10 GJCARN COc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 ZINC000006721819 570550638 /nfs/dbraw/zinc/55/06/38/570550638.db2.gz GAFBLVONAUCAQF-LAUBAEHRSA-N 0 0 378.453 4.705 50 10 GJCARN NC1=NC(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)S1 ZINC000005557518 570640612 /nfs/dbraw/zinc/64/06/12/570640612.db2.gz CXZMSLBQEIKVKM-CIAFOILYSA-N 0 0 383.476 4.772 50 10 GJCARN CCOc1cc(Cl)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000211090653 570777422 /nfs/dbraw/zinc/77/74/22/570777422.db2.gz IYTNPWJHAQXNQT-GZTJUZNOSA-N 0 0 384.863 4.944 50 10 GJCARN CSc1c(C(=O)Nc2ccccc2C)ccc2c1C(=O)c1ccccc1C2=O ZINC000004451875 570783819 /nfs/dbraw/zinc/78/38/19/570783819.db2.gz QWASAWAWWMYHJA-UHFFFAOYSA-N 0 0 387.460 4.745 50 10 GJCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)C[C@H](C)O1 ZINC000013775435 570789463 /nfs/dbraw/zinc/78/94/63/570789463.db2.gz IKCSQSMFDFZPHP-PAXPMQMASA-N 0 0 394.496 4.558 50 10 GJCARN CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000033154934 570829771 /nfs/dbraw/zinc/82/97/71/570829771.db2.gz VUJURDFWSXSPMK-SXGWCWSVSA-N 0 0 388.901 4.704 50 10 GJCARN COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 ZINC000007423661 570841126 /nfs/dbraw/zinc/84/11/26/570841126.db2.gz VCNWLRNKFHQBBQ-UHFFFAOYSA-N 0 0 395.528 4.950 50 10 GJCARN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Cl ZINC000004551061 570866767 /nfs/dbraw/zinc/86/67/67/570866767.db2.gz CZNWGHYUVNDQSN-PDGQHHTCSA-N 0 0 381.859 4.521 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccccn1 ZINC000102907350 570871241 /nfs/dbraw/zinc/87/12/41/570871241.db2.gz KEAVQKQEZPAXGU-WIYYLYMNSA-N 0 0 377.831 4.683 50 10 GJCARN Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccccn1 ZINC000102907348 570871418 /nfs/dbraw/zinc/87/14/18/570871418.db2.gz KEAVQKQEZPAXGU-GHTZIAJQSA-N 0 0 377.831 4.683 50 10 GJCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000103861511 570889349 /nfs/dbraw/zinc/88/93/49/570889349.db2.gz WZTLFVXUZWWMKF-XNTDXEJSSA-N 0 0 382.876 4.977 50 10 GJCARN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000103882684 570889806 /nfs/dbraw/zinc/88/98/06/570889806.db2.gz NJYZHGYRRKVNDD-POHAHGRESA-N 0 0 386.707 4.842 50 10 GJCARN CC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21)c1ccccc1O ZINC000089947921 570920800 /nfs/dbraw/zinc/92/08/00/570920800.db2.gz MEQMWELRMVFZED-MRXNPFEDSA-N 0 0 379.460 4.810 50 10 GJCARN CCN(CC)C(=S)SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000003166274 570966898 /nfs/dbraw/zinc/96/68/98/570966898.db2.gz OLNHNLQFLATNDR-UHFFFAOYSA-N 0 0 378.538 4.776 50 10 GJCARN CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@@H]1CC=C[C@@H]21 ZINC000239274781 570981521 /nfs/dbraw/zinc/98/15/21/570981521.db2.gz ARLIBSQDLKMFGT-BPWYQTPCSA-N 0 0 397.518 5.758 50 10 GJCARN CC[N@H+](Cc1ccccc1)Cc1cc(Br)cc(Br)c1[O-] ZINC000019635168 571022337 /nfs/dbraw/zinc/02/23/37/571022337.db2.gz YZHMVXLCUILPKN-UHFFFAOYSA-N 0 0 399.126 4.939 50 10 GJCARN FC(F)(F)Oc1ccc(N2CCC(Nc3cnc4ccccc4n3)CC2)cc1 ZINC000084605638 571026098 /nfs/dbraw/zinc/02/60/98/571026098.db2.gz LUMYJAYSWKATLP-UHFFFAOYSA-N 0 0 388.393 4.609 50 10 GJCARN O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001462176 212245844 /nfs/dbraw/zinc/24/58/44/212245844.db2.gz JOVWRTLOVOMXLB-AQTBWJFISA-N 0 0 397.456 4.701 50 10 GJCARN CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000001136420 212221433 /nfs/dbraw/zinc/22/14/33/212221433.db2.gz POZDCNDXIRYSAS-YVLHZVERSA-N 0 0 383.494 4.692 50 10 GJCARN CN(C)c1ccc(/C=C/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001005861 212204847 /nfs/dbraw/zinc/20/48/47/212204847.db2.gz CUFIIVGILXVJMX-CRVGVPJFSA-N 0 0 378.497 4.588 50 10 GJCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[N@@H+]2CCCC[C@H]2C)c1=O ZINC000019790388 212149173 /nfs/dbraw/zinc/14/91/73/212149173.db2.gz ACICCXCUFOEWRG-OAHLLOKOSA-N 0 0 379.456 4.549 50 10 biogenic GJCARN O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccc(C(F)(F)F)c1 ZINC000334160396 206254450 /nfs/dbraw/zinc/25/44/50/206254450.db2.gz CWJLDBONTOASPW-DHDCSXOGSA-N 0 0 394.443 4.976 50 10 GJCARN Cc1cc([C@@H]2CCCN2C(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)no1 ZINC000096248642 206300676 /nfs/dbraw/zinc/30/06/76/206300676.db2.gz PASIFYFMSCBOFG-GJCOWUBNSA-N 0 0 375.472 4.767 50 10 GJCARN COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1 ZINC000000723755 206319203 /nfs/dbraw/zinc/31/92/03/206319203.db2.gz OEABRDHRVRDMGH-UHFFFAOYSA-N 0 0 387.439 4.822 50 10 GJCARN O=C1c2ccccc2-c2onc3c2c1c(Br)cc3Br ZINC000000850490 206327521 /nfs/dbraw/zinc/32/75/21/206327521.db2.gz QBUSQHSUWRIYDP-UHFFFAOYSA-N 0 0 379.007 4.564 50 10 GJCARN CCO[C@@]1(c2ccccc2)C[C@H](c2ccccc2)C2(O1)C(=O)c1ccccc1C2=O ZINC000000863738 206329356 /nfs/dbraw/zinc/32/93/56/206329356.db2.gz INKRWDBAPNARHJ-RDGATRHJSA-N 0 0 398.458 4.898 50 10 GJCARN COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccccc3O)C[C@H]21 ZINC000010215849 206374360 /nfs/dbraw/zinc/37/43/60/206374360.db2.gz CRLFOUQLXKEVAO-DYESRHJHSA-N 0 0 378.453 4.705 50 10 GJCARN COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC ZINC000001151337 206359553 /nfs/dbraw/zinc/35/95/53/206359553.db2.gz PPEXWJYLTAIMEU-XNTDXEJSSA-N 0 0 391.901 4.763 50 10 GJCARN Cc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000001148205 206360212 /nfs/dbraw/zinc/36/02/12/206360212.db2.gz RJMGQXYYDCHYLE-OVCLIPMQSA-N 0 0 390.873 4.962 50 10 GJCARN O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1CCCc1ccccc1 ZINC000001157150 206361430 /nfs/dbraw/zinc/36/14/30/206361430.db2.gz DDQHMRWDLOQNGW-ATVHPVEESA-N 0 0 389.929 4.880 50 10 GJCARN CCN(CC)C(=S)SCC(=O)c1cc(C)n(-c2ccccc2F)c1C ZINC000001746301 206391903 /nfs/dbraw/zinc/39/19/03/206391903.db2.gz NNBITWGUJFRSJF-UHFFFAOYSA-N 0 0 378.538 4.776 50 10 GJCARN CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3F)N=C2c2ccccc2)cc1 ZINC000035088573 206395750 /nfs/dbraw/zinc/39/57/50/206395750.db2.gz GKZNSMFFHPRDAS-CAPFRKAQSA-N 0 0 385.442 4.726 50 10 GJCARN CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000004070705 206500725 /nfs/dbraw/zinc/50/07/25/206500725.db2.gz NZMFTAXZEXTGKO-QINSGFPZSA-N 0 0 397.949 4.665 50 10 GJCARN CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccccc3)cc2)SC1=S ZINC000004725614 206547947 /nfs/dbraw/zinc/54/79/47/206547947.db2.gz SEJKEQQZPXJCIR-XDJHFCHBSA-N 0 0 399.537 4.756 50 10 GJCARN Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1C ZINC000006390892 206648824 /nfs/dbraw/zinc/64/88/24/206648824.db2.gz CNRCFTHSVKISMA-QFIPXVFZSA-N 0 0 397.588 4.747 50 10 GJCARN CCOc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1O ZINC000013805894 207000793 /nfs/dbraw/zinc/00/07/93/207000793.db2.gz PRJHJWBVKPFISB-FDIDITGRSA-N 0 0 385.510 4.753 50 10 GJCARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1Oc1ccc2ccccc2c1 ZINC000019883659 207167385 /nfs/dbraw/zinc/16/73/85/207167385.db2.gz JVGJCACCTYZOGH-UHFFFAOYSA-N 0 0 375.424 4.814 50 10 biogenic GJCARN CN(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccn2)cc1 ZINC000028292525 207339366 /nfs/dbraw/zinc/33/93/66/207339366.db2.gz HZCGBRHMQNVINU-UHFFFAOYSA-N 0 0 398.466 4.650 50 10 GJCARN O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)c1ccccc1 ZINC000036356865 207524957 /nfs/dbraw/zinc/52/49/57/207524957.db2.gz RONRKYXORNYQDO-UHFFFAOYSA-N 0 0 382.467 4.699 50 10 GJCARN CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000013305651 208782814 /nfs/dbraw/zinc/78/28/14/208782814.db2.gz QEWKGRPFDBMZDM-MLPAPPSSSA-N 0 0 375.211 4.528 50 10 GJCARN Cc1cccc(C)c1OCCCOc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000002878518 220579846 /nfs/dbraw/zinc/57/98/46/220579846.db2.gz YKDNOJKULAQLFU-QGOAFFKASA-N 0 0 399.537 4.640 50 10 GJCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000004150650 220687200 /nfs/dbraw/zinc/68/72/00/220687200.db2.gz IKWQRXOKJXLFOD-TWGBNTOESA-N 0 0 396.903 4.915 50 10 GJCARN Cc1cc(C(=O)CSc2ccc3c(c2)OCCCO3)c(C)n1-c1ccccn1 ZINC000008528917 221043965 /nfs/dbraw/zinc/04/39/65/221043965.db2.gz NNTGNVUDVWCEBF-UHFFFAOYSA-N 0 0 394.496 4.625 50 10 GJCARN COc1cc(NC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)cc(OC)c1 ZINC000009228769 221074701 /nfs/dbraw/zinc/07/47/01/221074701.db2.gz YUYWLYBNTHMTRY-UHFFFAOYSA-N 0 0 393.487 4.741 50 10 GJCARN COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O ZINC000013769760 221288035 /nfs/dbraw/zinc/28/80/35/221288035.db2.gz UAORIHGLHBYAID-CHHVJCJISA-N 0 0 395.864 4.599 50 10 GJCARN Cc1cc2nc(-c3cc(NS(=O)(=O)c4ccccc4)ccc3O)oc2c(C)c1 ZINC000013690344 221281982 /nfs/dbraw/zinc/28/19/82/221281982.db2.gz HPDKCHVQXQAABO-UHFFFAOYSA-N 0 0 394.452 4.618 50 10 GJCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(O)c1 ZINC000015011666 221326592 /nfs/dbraw/zinc/32/65/92/221326592.db2.gz PTDFZLDAGLMJCC-XDHOZWIPSA-N 0 0 398.553 4.640 50 10 GJCARN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000015685386 221341055 /nfs/dbraw/zinc/34/10/55/221341055.db2.gz UXONNHAMQDBNOA-ZSOIEALJSA-N 0 0 376.846 4.654 50 10 GJCARN COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000017167672 221380776 /nfs/dbraw/zinc/38/07/76/221380776.db2.gz YRNKFTCMYDTEMZ-BOPFTXTBSA-N 0 0 397.858 4.534 50 10 GJCARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3N1CCOCC1 ZINC000100430237 136189197 /nfs/dbraw/zinc/18/91/97/136189197.db2.gz KEULLWOZQZCLGL-UHFFFAOYSA-N 0 0 397.434 4.619 50 10 GJCARN Cc1cc(-c2csc(NC(=O)C3CCOCC3)n2)c(C)n1-c1ccc(F)cc1 ZINC000023039060 221579808 /nfs/dbraw/zinc/57/98/08/221579808.db2.gz YFWNFZNKZSUOIF-UHFFFAOYSA-N 0 0 399.491 4.722 50 10 GJCARN O=C1/C(=C/c2ccc3cccc(Cl)c3n2)SC(=S)N1Cc1ccco1 ZINC000054360930 222013602 /nfs/dbraw/zinc/01/36/02/222013602.db2.gz BUWHTYBSOMVWHH-DHDCSXOGSA-N 0 0 386.885 4.883 50 10 GJCARN CCn1ccc2ccc(-c3c(-c4ccccc4)ncn3Cc3nnc(C)o3)cc21 ZINC000065406084 222128569 /nfs/dbraw/zinc/12/85/69/222128569.db2.gz JYERYMBTHRYCFK-UHFFFAOYSA-N 0 0 383.455 4.931 50 10 GJCARN Oc1c(O)c(Br)c2cc(Br)ccc2c1Br ZINC000000640475 570270056 /nfs/dbraw/zinc/27/00/56/570270056.db2.gz VCRHHGUTGYCZRI-UHFFFAOYSA-N 0 0 396.860 4.539 50 10 GJCARN COc1ccc(-c2ccc(C(=S)N3CCN(c4cccc(C)c4)CC3)o2)cc1 ZINC000002847246 570307962 /nfs/dbraw/zinc/30/79/62/570307962.db2.gz DIRHVHUBTSYBMR-UHFFFAOYSA-N 0 0 392.524 4.761 50 10 GJCARN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000022507115 570318676 /nfs/dbraw/zinc/31/86/76/570318676.db2.gz UUDFZLMWYLWRJE-UHFFFAOYSA-N 0 0 396.560 4.602 50 10 GJCARN CN(C)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)cc1 ZINC000002981818 570322200 /nfs/dbraw/zinc/32/22/00/570322200.db2.gz MINBQLIUBMUSNJ-RVDMUPIBSA-N 0 0 382.872 4.965 50 10 GJCARN CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=N)S1 ZINC000004859875 570349836 /nfs/dbraw/zinc/34/98/36/570349836.db2.gz AOVYJVTXRHYHJV-JBTBNTSXSA-N 0 0 398.875 4.938 50 10 GJCARN CC(=O)N1N=C(c2cc(Cl)ccc2O)C[C@H]1c1ccc(Br)cc1 ZINC000006262342 570353208 /nfs/dbraw/zinc/35/32/08/570353208.db2.gz SSANDLNEFUUDLW-INIZCTEOSA-N 0 0 393.668 4.506 50 10 GJCARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000004499405 570379324 /nfs/dbraw/zinc/37/93/24/570379324.db2.gz NJSWJFJLQVKKQT-JLPGSUDCSA-N 0 0 398.510 4.966 50 10 GJCARN Cc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000004661145 570390696 /nfs/dbraw/zinc/39/06/96/570390696.db2.gz LLBMGVNZAHXEPR-PQOWSYMHSA-N 0 0 396.903 4.915 50 10 GJCARN CC(=O)Oc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)c(OC(C)=O)c1 ZINC000004993976 570391638 /nfs/dbraw/zinc/39/16/38/570391638.db2.gz UEIOBTMSWHXVOH-YZZKKUAISA-N 0 0 377.440 4.672 50 10 GJCARN N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(Cc3ccccc3)=NN21 ZINC000004725361 570398195 /nfs/dbraw/zinc/39/81/95/570398195.db2.gz HAKSCSUMNNIRKX-ANDFITQPSA-N 0 0 396.475 4.702 50 10 GJCARN CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br ZINC000004738848 570400259 /nfs/dbraw/zinc/40/02/59/570400259.db2.gz VTAYUOIULVPCIF-CXUHLZMHSA-N 0 0 399.240 4.664 50 10 GJCARN CN1C(=O)/C(=C\c2ccc3noc(-c4ccc(Cl)cc4)c3c2)SC1=S ZINC000005032676 570401274 /nfs/dbraw/zinc/40/12/74/570401274.db2.gz OJUQZWGWQGTYOU-OQLLNIDSSA-N 0 0 386.885 4.979 50 10 GJCARN Cc1cccc(OCCCOc2ccccc2C=C2SC(=S)NC2=O)c1C ZINC000004755080 570403011 /nfs/dbraw/zinc/40/30/11/570403011.db2.gz OZPBYHXQBNQCGG-CPNJWEJPSA-N 0 0 399.537 4.640 50 10 GJCARN CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000222372281 570408989 /nfs/dbraw/zinc/40/89/89/570408989.db2.gz FAYALEOOHOCRDV-WOIUINJBSA-N 0 0 391.471 4.903 50 10 GJCARN COC(=O)c1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000005101945 570429131 /nfs/dbraw/zinc/42/91/31/570429131.db2.gz HTEJFRYLADFIPX-NRFANRHFSA-N 0 0 399.450 4.632 50 10 GJCARN C[C@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)o1 ZINC000011915291 570448087 /nfs/dbraw/zinc/44/80/87/570448087.db2.gz VKPKSQGVWPHTQO-LQBYKTNCSA-N 0 0 399.493 4.533 50 10 GJCARN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(N4CCCCC4)o3)S2)cc1C ZINC000005797474 570457447 /nfs/dbraw/zinc/45/74/47/570457447.db2.gz YIGHWSPDBXRREM-QGOAFFKASA-N 0 0 381.501 4.969 50 10 GJCARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(OC(F)(F)F)cc1 ZINC000006438799 570479853 /nfs/dbraw/zinc/47/98/53/570479853.db2.gz YEMSGXDEFJQBEV-GZTJUZNOSA-N 0 0 375.350 4.612 50 10 GJCARN CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004365603 570496947 /nfs/dbraw/zinc/49/69/47/570496947.db2.gz LKSBXXBXHWRXRR-UHFFFAOYSA-N 0 0 375.472 4.907 50 10 GJCARN Cc1ccc(NCN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1C ZINC000006997696 570500111 /nfs/dbraw/zinc/50/01/11/570500111.db2.gz AGLRTKZOOQDEKW-UNOMPAQXSA-N 0 0 397.569 4.640 50 10 GJCARN CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)cc1 ZINC000005201072 570504920 /nfs/dbraw/zinc/50/49/20/570504920.db2.gz VTKMGSYJFSCPMA-BKULYWANSA-N 0 0 396.531 4.634 50 10 GJCARN CCCCN(Cc1cc(C)n(-c2ccc(OC)cc2)c1C)C(=O)C1CCOCC1 ZINC000079049015 570510590 /nfs/dbraw/zinc/51/05/90/570510590.db2.gz WWPCAPCBCCAIFH-UHFFFAOYSA-N 0 0 398.547 4.658 50 10 GJCARN CNc1ncnc2c1N=C1CC(C)(C)CC(N[C@@H](C)Cc3ccccc3)=C1S2 ZINC000033884339 570529764 /nfs/dbraw/zinc/52/97/64/570529764.db2.gz CPIVJFPVWALINO-AWEZNQCLSA-N 0 0 393.560 4.949 50 10 GJCARN CCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc21 ZINC000002870204 570535753 /nfs/dbraw/zinc/53/57/53/570535753.db2.gz HELAODKXWJARJK-HSZRJFAPSA-N 0 0 379.456 4.568 50 10 biogenic GJCARN O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21)N1CCCC1 ZINC000001216665 570535787 /nfs/dbraw/zinc/53/57/87/570535787.db2.gz WLAHXIMORDOAIS-LVCYWYKZSA-N 0 0 389.455 4.657 50 10 GJCARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc([N+](=O)[O-])cc3)c(O)c2n1 ZINC000004755407 570539898 /nfs/dbraw/zinc/53/98/98/570539898.db2.gz RPNDUXSAUMEQGW-HXUWFJFHSA-N 0 0 386.411 4.754 50 10 GJCARN COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccccc3O)C[C@@H]21 ZINC000169681526 570602142 /nfs/dbraw/zinc/60/21/42/570602142.db2.gz BMDJLOSFWJNEDS-CVDCTZTESA-N 0 0 390.414 4.782 50 10 GJCARN COc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl ZINC000006823649 570624747 /nfs/dbraw/zinc/62/47/47/570624747.db2.gz ZLHCHYQCKRWETA-UHFFFAOYSA-N 0 0 377.827 4.735 50 10 GJCARN O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2O)c1 ZINC000036347327 570628768 /nfs/dbraw/zinc/62/87/68/570628768.db2.gz NQSJOIHMGZSYPS-NRFANRHFSA-N 0 0 397.862 4.751 50 10 GJCARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1cccc(Br)c1 ZINC000005568481 570645715 /nfs/dbraw/zinc/64/57/15/570645715.db2.gz RHCDDIQATXUCOS-ZSOIEALJSA-N 0 0 392.299 4.561 50 10 GJCARN COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1OC ZINC000013712090 570671120 /nfs/dbraw/zinc/67/11/20/570671120.db2.gz POZVGBTUGLXMHZ-DHDCSXOGSA-N 0 0 391.901 4.763 50 10 GJCARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000005622733 570672629 /nfs/dbraw/zinc/67/26/29/570672629.db2.gz WDLCWGPVTSYXGO-UHFFFAOYSA-N 0 0 377.440 4.662 50 10 GJCARN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Br)c2C(C)C)cc1 ZINC000000947567 570734602 /nfs/dbraw/zinc/73/46/02/570734602.db2.gz FCCSIHXPWIXCGW-UHFFFAOYSA-N 0 0 398.322 4.696 50 10 GJCARN CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001005858 570745844 /nfs/dbraw/zinc/74/58/44/570745844.db2.gz CUFIIVGILXVJMX-MBPRGYFXSA-N 0 0 378.497 4.588 50 10 GJCARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=N)S1 ZINC000004645988 570778386 /nfs/dbraw/zinc/77/83/86/570778386.db2.gz KWJSVNPMKPPLEX-HUHIGAQKSA-N 0 0 396.447 4.751 50 10 GJCARN O=C(/C=C/c1cccc(Cl)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005685345 570808101 /nfs/dbraw/zinc/80/81/01/570808101.db2.gz GNBZEICLNNPCQP-VAWYXSNFSA-N 0 0 387.822 4.767 50 10 GJCARN CCOc1ccc2[nH]c(=NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)sc2c1 ZINC000101125335 570815653 /nfs/dbraw/zinc/81/56/53/570815653.db2.gz MKWVCRKYSMZILD-SFQUDFHCSA-N 0 0 392.484 4.722 50 10 GJCARN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 ZINC000170621240 570876978 /nfs/dbraw/zinc/87/69/78/570876978.db2.gz PEXLIJYTQSIQHG-CYBMUJFWSA-N 0 0 379.481 4.719 50 10 GJCARN CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000004556422 570882952 /nfs/dbraw/zinc/88/29/52/570882952.db2.gz KFXLEDWFTFXUQB-HNNXBMFYSA-N 0 0 398.315 4.567 50 10 GJCARN Cc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)n1-c1ccccc1F ZINC000012607883 570889669 /nfs/dbraw/zinc/88/96/69/570889669.db2.gz HADYMUDJILUYSW-UHFFFAOYSA-N 0 0 391.450 4.811 50 10 GJCARN CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)N=C2C)cc(Cl)c1O ZINC000005719379 570891552 /nfs/dbraw/zinc/89/15/52/570891552.db2.gz CGTBFYBJTHFBTB-LICLKQGHSA-N 0 0 384.863 4.813 50 10 GJCARN Cc1cc(C(=O)CSc2nnc(C3CC3)[nH]2)c(C)n1-c1ccc(C)c(F)c1 ZINC000011275507 570921793 /nfs/dbraw/zinc/92/17/93/570921793.db2.gz NAQOQYKZZVKETG-UHFFFAOYSA-N 0 0 384.480 4.512 50 10 GJCARN COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OC(C)C ZINC000004477136 570993387 /nfs/dbraw/zinc/99/33/87/570993387.db2.gz WOJRNCFIPHPVMA-WQRHYEAKSA-N 0 0 384.863 4.942 50 10 GJCARN Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(C)n1-c1ccccn1 ZINC000084081387 570996159 /nfs/dbraw/zinc/99/61/59/570996159.db2.gz JTCHFFYRFHVPIF-UHFFFAOYSA-N 0 0 375.350 4.640 50 10 GJCARN