smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)C(=CNc3ccc(C)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408765703 231113140 /nfs/dbraw/zinc/11/31/40/231113140.db2.gz XGTPTVYGWHTPBX-UNUHRMFVSA-N 0 1 385.876 3.723 40 30 GHEBMN Cc1cccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000408740332 534579025 /nfs/dbraw/zinc/57/90/25/534579025.db2.gz FPARMHFWTYAFHX-LKKXKRCMSA-N 0 1 385.876 3.723 40 30 GHEBMN COc1ccc(C=Nn2c(=S)[nH]nc2CCn2c(C)nc3ccccc32)cc1 ZINC000013409784 523460714 /nfs/dbraw/zinc/46/07/14/523460714.db2.gz LAIUXVAETAAFNZ-BKUYFWCQSA-N 0 1 392.488 3.732 40 30 GHEBMN Cc1ccc(SCc2cc(=O)[n-]c(NC(=[NH2+])Nc3cccc(C)c3)n2)cc1 ZINC000020477872 525662252 /nfs/dbraw/zinc/66/22/52/525662252.db2.gz PTAAOPUGFJQUSF-UHFFFAOYSA-N 0 1 379.489 3.737 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3cccc(Cl)c3C)C(=O)NC2=S)cc1 ZINC000408760123 570469636 /nfs/dbraw/zinc/46/96/36/570469636.db2.gz RZEMGBZNRQGSQD-LKEIMFIWSA-N 0 1 385.876 3.723 40 30 GHEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(OC)c1OC ZINC000137583355 856625277 /nfs/dbraw/zinc/62/52/77/856625277.db2.gz GQKLAQOLSYSTDR-ZJNNUKBWSA-N 0 1 376.459 3.587 40 30 GHEBMN N=C(/N=C/c1cc([N+](=O)[O-])ccc1[O-])SC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012428550 859300723 /nfs/dbraw/zinc/30/07/23/859300723.db2.gz WLHXYODDKCAAPL-FLWJTGGKSA-N 0 1 376.482 3.652 40 30 GHEBMN N#Cc1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000253562263 871883129 /nfs/dbraw/zinc/88/31/29/871883129.db2.gz DBTBWXQFKLNIIJ-UHFFFAOYSA-N 0 1 393.516 3.875 40 30 GHEBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000408740927 231109736 /nfs/dbraw/zinc/10/97/36/231109736.db2.gz JEGHFOWAMCUOHQ-AHURVMIPSA-N 0 1 392.267 3.760 40 30 GHEBMN COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CC(C)C)ccc1O ZINC000005444134 522953540 /nfs/dbraw/zinc/95/35/40/522953540.db2.gz OVPSESPSUPGEOV-IBGZPJMESA-N 0 1 381.428 3.635 40 30 GHEBMN C=C1Oc2cc3c(cc2[C@H](c2cc(OC)c(O)c(OC)c2)C1C(C)=O)OCO3 ZINC000001591351 570265669 /nfs/dbraw/zinc/26/56/69/570265669.db2.gz ZISXMEHFVLOADF-FQEVSTJZSA-N 0 1 384.384 3.525 40 30 GHEBMN N#CC(C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000016400663 570924025 /nfs/dbraw/zinc/92/40/25/570924025.db2.gz YASCGPMERQVYEQ-CQSZACIVSA-N 0 1 391.740 3.825 40 30 GHEBMN O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020060638 230902778 /nfs/dbraw/zinc/90/27/78/230902778.db2.gz DRJCCTGRUHOMKJ-UDWIEESQSA-N 0 1 382.401 3.541 40 30 GHEBMN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(O)c(I)c1 ZINC000408904212 231127605 /nfs/dbraw/zinc/12/76/05/231127605.db2.gz GNHDQQBWYKFTEO-LZYBPNLTSA-N 0 1 382.157 3.964 40 30 GHEBMN CCc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408743676 529589145 /nfs/dbraw/zinc/58/91/45/529589145.db2.gz WYRVOCHTMIIORO-XYHOIZSOSA-N 0 1 385.876 3.669 40 30 GHEBMN O=C(c1ccco1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004606967 204056722 /nfs/dbraw/zinc/05/67/22/204056722.db2.gz STQJJBNIZAJSGG-GOSISDBHSA-N 0 1 390.351 3.971 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3cc(Cl)ccc3C)C(=O)NC2=S)cc1 ZINC000408760603 570470369 /nfs/dbraw/zinc/47/03/69/570470369.db2.gz BNBOEIUKHNGHDH-UNUHRMFVSA-N 0 1 385.876 3.723 40 30 GHEBMN C#CCOc1ccc(Br)cc1C=NNc1nc2ccccc2n1C ZINC000007343314 919100763 /nfs/dbraw/zinc/10/07/63/919100763.db2.gz HTWKSLJNOPQXAU-UDWIEESQSA-N 0 1 383.249 3.794 40 30 GHEBMN CCN(CC)c1ccc(C=[NH+]Nc2nnc3c4ccccc4nc-3[n-]2)c(OC)c1 ZINC000006417987 520882288 /nfs/dbraw/zinc/88/22/88/520882288.db2.gz TYTOMPHYVFSIHQ-LPYMAVHISA-N 0 1 389.463 3.807 40 30 GHEBMN C=CCSc1nnc(NC(=O)C2CCN(Cc3ccccc3F)CC2)s1 ZINC000224233401 570384108 /nfs/dbraw/zinc/38/41/08/570384108.db2.gz FLMOSFINHNJQED-UHFFFAOYSA-N 0 1 392.525 3.806 40 30 GHEBMN O=S(=O)(c1ccccc1)c1ccccc1C=NNc1nc2ccccc2[nH]1 ZINC000059417087 570656026 /nfs/dbraw/zinc/65/60/26/570656026.db2.gz COTCQKXBYDKIRG-KGENOOAVSA-N 0 1 376.441 3.842 40 30 GHEBMN COc1cc(C=NNc2ccccn2)ccc1OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012528758 570980066 /nfs/dbraw/zinc/98/00/66/570980066.db2.gz LQPIFUSNJRHUEL-OLVIXNNRSA-N 0 1 396.491 3.705 40 30 GHEBMN COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409068643 231153948 /nfs/dbraw/zinc/15/39/48/231153948.db2.gz HLKLNJYAIHUPNO-UFWORHAWSA-N 0 1 384.270 3.976 40 30 GHEBMN CCc1ccc(S(=O)(=O)/N=C2/SC(c3ccccc3)C(=O)N2CC)cc1 ZINC000004538092 204050930 /nfs/dbraw/zinc/05/09/30/204050930.db2.gz QXCRBNINCREZHI-NHKNDPDJSA-N 0 1 388.514 3.630 40 30 GHEBMN COc1ccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1Br ZINC000006736682 204197708 /nfs/dbraw/zinc/19/77/08/204197708.db2.gz CJYIEVIBEWAQDB-CAOOACKPSA-N 0 1 381.182 3.831 40 30 GHEBMN COc1cc(/C=N/O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409071334 533483166 /nfs/dbraw/zinc/48/31/66/533483166.db2.gz JILJLECFEQPVMN-CAOOACKPSA-N 0 1 376.217 3.578 40 30 GHEBMN COc1ccc(CCN2C(=O)C(=O)C(C(C)=O)[C@H]2c2ccc(C)cc2)cc1OC ZINC000000902774 570514748 /nfs/dbraw/zinc/51/47/48/570514748.db2.gz AFSARLXTYVHTDZ-OAQYLSRUSA-N 0 1 395.455 3.539 40 30 GHEBMN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000014152570 570877658 /nfs/dbraw/zinc/87/76/58/570877658.db2.gz LSHYADXDUHRMOP-UHFFFAOYSA-N 0 1 383.864 3.651 40 30 GHEBMN CCCCCCCCCOC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC ZINC000073295737 222269669 /nfs/dbraw/zinc/26/96/69/222269669.db2.gz LTCDSUZIFHLDRH-SFHVURJKSA-O 0 1 398.501 3.608 40 30 GHEBMN C[C@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 ZINC000035031558 524938295 /nfs/dbraw/zinc/93/82/95/524938295.db2.gz FEACBXQMCWENHN-GBESFXJTSA-N 0 1 377.598 3.733 40 30 GHEBMN C[C@@H]1C[C@@H](OC[C@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 ZINC000035031563 525284460 /nfs/dbraw/zinc/28/44/60/525284460.db2.gz FEACBXQMCWENHN-GUDVDZBRSA-N 0 1 377.598 3.733 40 30 GHEBMN O=[N+]([O-])c1ccccc1/C=N/c1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020060636 570940284 /nfs/dbraw/zinc/94/02/84/570940284.db2.gz IPNNXYUZLKBAHR-UDWIEESQSA-N 0 1 382.401 3.541 40 30 GHEBMN Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1C ZINC000408741434 231110707 /nfs/dbraw/zinc/11/07/07/231110707.db2.gz LYIGOODZXUCPSB-PPAWOMOGSA-N 0 1 385.876 3.723 40 30 GHEBMN CCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC ZINC000073295739 222270039 /nfs/dbraw/zinc/27/00/39/222270039.db2.gz LTCDSUZIFHLDRH-GOSISDBHSA-O 0 1 398.501 3.608 40 30 GHEBMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CC(C)C)cc1OC ZINC000018045693 525224372 /nfs/dbraw/zinc/22/43/72/525224372.db2.gz XBLNGZSRZBMIEH-HXUWFJFHSA-N 0 1 395.455 3.938 40 30 GHEBMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1 ZINC000018143987 526268533 /nfs/dbraw/zinc/26/85/33/526268533.db2.gz TUDRHROYNOSDQR-HXUWFJFHSA-N 0 1 388.398 3.999 40 30 GHEBMN C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC ZINC000409409415 526821583 /nfs/dbraw/zinc/82/15/83/526821583.db2.gz VCWGCUUNEAYGRO-WJDWOHSUSA-N 0 1 398.846 3.765 40 30 GHEBMN COc1cc(OC)c(OC)cc1C=Nn1c(=S)[nH]nc1C1CCCCC1 ZINC000008462267 570380326 /nfs/dbraw/zinc/38/03/26/570380326.db2.gz DVMOYUYHECEBSS-UHFFFAOYSA-N 0 1 376.482 3.896 40 30 GHEBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408741761 231110445 /nfs/dbraw/zinc/11/04/45/231110445.db2.gz NSAXYDUKTAXMDR-IEEVUCOHSA-N 0 1 392.267 3.760 40 30 GHEBMN CCc1ccc(S(=O)(=O)/N=C2/SC(c3ccccc3)C(=O)N2CC)cc1 ZINC000004538089 204051325 /nfs/dbraw/zinc/05/13/25/204051325.db2.gz QXCRBNINCREZHI-NRTINQSCSA-N 0 1 388.514 3.630 40 30 GHEBMN CCOc1ccc(NC(=O)CSc2nnc(N=[NH+]C3CCCCC3)[n-]2)cc1 ZINC000020176807 570246013 /nfs/dbraw/zinc/24/60/13/570246013.db2.gz SLEZTWGCDQTDGY-UHFFFAOYSA-N 0 1 388.497 3.666 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3ccc(C(C)C)cc3)C(=O)NC2=S)cc1 ZINC000408758003 570596248 /nfs/dbraw/zinc/59/62/48/570596248.db2.gz FNMJGPXNLDWUOC-WQFTWXBESA-N 0 1 379.485 3.885 40 30 GHEBMN N=C(/N=C/c1cc([N+](=O)[O-])ccc1[O-])SC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000017610827 570995024 /nfs/dbraw/zinc/99/50/24/570995024.db2.gz WLHXYODDKCAAPL-ZELKPPFMSA-N 0 1 376.482 3.652 40 30 GHEBMN C=CCSc1nnc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000223091700 571049004 /nfs/dbraw/zinc/04/90/04/571049004.db2.gz HFRNMNOSJZKDLG-UHFFFAOYSA-N 0 1 392.525 3.806 40 30 GHEBMN C=CCOc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000057124092 519058508 /nfs/dbraw/zinc/05/85/08/519058508.db2.gz WMSGMMPGQSTACS-UHFFFAOYSA-N 0 1 398.278 3.823 40 30 GHEBMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(O)cc1 ZINC000085409826 526833308 /nfs/dbraw/zinc/83/33/08/526833308.db2.gz QCDKLAZDBFWRGU-AWEZNQCLSA-N 0 1 384.438 3.693 40 30 GHEBMN CCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000036619646 528163597 /nfs/dbraw/zinc/16/35/97/528163597.db2.gz VFWBZQVNBRMXTQ-LJQANCHMSA-N 0 1 381.428 3.692 40 30 GHEBMN Cc1ccc(SCc2cc(=O)[n-]c(NC(=[NH2+])Nc3ccccc3C)n2)cc1 ZINC000020555668 570277723 /nfs/dbraw/zinc/27/77/23/570277723.db2.gz XLHBRSWURGAZQY-UHFFFAOYSA-N 0 1 379.489 3.737 40 30 GHEBMN Cn1c2ccccc2nc1N=NCc1ccc(I)cc1 ZINC000007343381 919097959 /nfs/dbraw/zinc/09/79/59/919097959.db2.gz TWICXTHAEZSVOL-LICLKQGHSA-N 0 1 376.201 3.624 40 30 GHEBMN CCOC(=O)Cn1c(C)c(C=NN=c2[nH]c3ccccc3n2C)c2ccccc21 ZINC000408668226 528919982 /nfs/dbraw/zinc/91/99/82/528919982.db2.gz VUVOHGRDPFQRJF-YDZHTSKRSA-N 0 1 389.459 3.846 40 30 GHEBMN N#Cc1cc(F)ccc1CN1CCC[C@]12CCCN(C(=O)c1ccncc1)CC2 ZINC000585100324 570710667 /nfs/dbraw/zinc/71/06/67/570710667.db2.gz JZDRDKSSDACQHU-QHCPKHFHSA-N 0 1 392.478 3.753 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3cccc4ccccc43)C(=O)NC2=S)cc1 ZINC000016292815 570921500 /nfs/dbraw/zinc/92/15/00/570921500.db2.gz VSNJYYYCZCJXAQ-VLZFXTDASA-N 0 1 387.464 3.915 40 30 GHEBMN O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000020060637 570940810 /nfs/dbraw/zinc/94/08/10/570940810.db2.gz MRCWEOYAPYJYSK-UDWIEESQSA-N 0 1 382.401 3.541 40 30 GHEBMN CCOC(=O)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)cc1 ZINC000108097643 856619297 /nfs/dbraw/zinc/61/92/97/856619297.db2.gz ILPVMDWEAXYZLL-LIJALFLSSA-N 0 1 388.470 3.503 40 30 GHEBMN C=C1Oc2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)C1C(C)=O)OCO3 ZINC000005663567 204143957 /nfs/dbraw/zinc/14/39/57/204143957.db2.gz ZISXMEHFVLOADF-HXUWFJFHSA-N 0 1 384.384 3.525 40 30 GHEBMN C#CCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1OC)C2 ZINC000012345654 570236738 /nfs/dbraw/zinc/23/67/38/570236738.db2.gz SHXYWAPSDQKEMD-VXMMSVGHSA-N 0 1 377.484 3.722 40 30 GHEBMN C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038855757 570252118 /nfs/dbraw/zinc/25/21/18/570252118.db2.gz NZJCWKKIQMDXFI-GOSISDBHSA-N 0 1 395.478 3.592 40 30 GHEBMN C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008300630 890148973 /nfs/dbraw/zinc/14/89/73/890148973.db2.gz BAFMIEIAHFMKQX-CMKODMSKSA-N 0 1 375.472 3.944 40 30 biogenic,in-vitro GHEBMN COc1cc(OC)c(C=NN=c2[nH]c3ccccc3[nH]2)cc1Br ZINC000059486855 570658262 /nfs/dbraw/zinc/65/82/62/570658262.db2.gz GDDRCQYIIULEHH-GIJQJNRQSA-N 0 1 375.226 3.789 40 30 GHEBMN N#Cc1ccnc(Nc2nc(C3CCN(Cc4ccccn4)CC3)cs2)c1 ZINC000585295328 570718474 /nfs/dbraw/zinc/71/84/74/570718474.db2.gz VMMALMHHZQHTGT-UHFFFAOYSA-N 0 1 376.489 3.928 40 30 GHEBMN Cc1cc(C)cc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408742879 231110901 /nfs/dbraw/zinc/11/09/01/231110901.db2.gz TWLAMSPZZPDIQV-PPAWOMOGSA-N 0 1 385.876 3.723 40 30 GHEBMN C=CCn1ncc(CN2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)c1C ZINC000072396701 519291613 /nfs/dbraw/zinc/29/16/13/519291613.db2.gz RSWGDSNUEBGXPL-HNNXBMFYSA-N 0 1 384.509 3.572 40 30 GHEBMN CCOC(=O)COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC ZINC000409203090 528841422 /nfs/dbraw/zinc/84/14/22/528841422.db2.gz WBPHIOASJOMAKN-JAIQZWGSSA-N 0 1 385.445 3.693 40 30 GHEBMN CCOC(=O)COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC ZINC000409203090 528841429 /nfs/dbraw/zinc/84/14/29/528841429.db2.gz WBPHIOASJOMAKN-JAIQZWGSSA-N 0 1 385.445 3.693 40 30 GHEBMN C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038855759 570252324 /nfs/dbraw/zinc/25/23/24/570252324.db2.gz NZJCWKKIQMDXFI-SFHVURJKSA-N 0 1 395.478 3.592 40 30 GHEBMN C#CCOc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cc1 ZINC000013994514 570268617 /nfs/dbraw/zinc/26/86/17/570268617.db2.gz GJQXRMYVWXFELL-OAQYLSRUSA-N 0 1 379.456 3.609 40 30 GHEBMN C#CCOc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cc1 ZINC000013994511 570268631 /nfs/dbraw/zinc/26/86/31/570268631.db2.gz GJQXRMYVWXFELL-NRFANRHFSA-N 0 1 379.456 3.609 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3cc(Cl)ccc3C)C(=O)NC2=S)cc1 ZINC000408760602 570470214 /nfs/dbraw/zinc/47/02/14/570470214.db2.gz BNBOEIUKHNGHDH-IZBZYRJBSA-N 0 1 385.876 3.723 40 30 GHEBMN Cc1cc(-c2ccccc2)n(-c2cc(N=NCc3cccc([N+](=O)[O-])c3)ncn2)n1 ZINC000004952797 526041832 /nfs/dbraw/zinc/04/18/32/526041832.db2.gz IKLJQWYHFAXDLA-ZMOGYAJESA-N 0 1 399.414 3.992 40 30 GHEBMN O=S1(=O)C[C@@H](N2CCCCC2)C2=C(O1)c1ccccc1N(c1ccccc1)C2 ZINC000031761762 570505891 /nfs/dbraw/zinc/50/58/91/570505891.db2.gz ICUOXXXLEILBIC-OAQYLSRUSA-N 0 1 396.512 3.764 40 30 GHEBMN Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccc([N+](=O)[O-])cc3)ncn2)n1 ZINC000004952795 570646445 /nfs/dbraw/zinc/64/64/45/570646445.db2.gz QISXWPDDRXOZPW-ZMOGYAJESA-N 0 1 399.414 3.992 40 30 GHEBMN O=S(=O)(Oc1cccc(C=NN=c2[nH]c3ccccc3[nH]2)c1)c1ccccc1 ZINC000059417084 570655954 /nfs/dbraw/zinc/65/59/54/570655954.db2.gz RUCPAHYQHRBBCM-KGENOOAVSA-N 0 1 392.440 3.777 40 30 GHEBMN CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCC#N ZINC000033701020 856607507 /nfs/dbraw/zinc/60/75/07/856607507.db2.gz FQPCKVUJXCNTHH-BTRKGYGASA-N 0 1 385.470 3.862 40 30 GHEBMN C=CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000033392074 519014512 /nfs/dbraw/zinc/01/45/12/519014512.db2.gz HNYJCDBDGNHXFS-VBKFSLOCSA-N 0 1 394.452 3.932 40 30 GHEBMN Oc1ccc(C=NNc2ccc3ccccc3n2)cc1I ZINC000408905205 534450989 /nfs/dbraw/zinc/45/09/89/534450989.db2.gz VDNICMTYESOUHO-VCHYOVAHSA-N 0 1 389.196 3.991 40 30 GHEBMN CC(=O)Oc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000100072348 527118483 /nfs/dbraw/zinc/11/84/83/527118483.db2.gz QSKRZXWVPPSQHS-LPYMAVHISA-N 0 1 395.440 3.558 40 30 GHEBMN 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CCOC(=O)Cn1cc(C=NN=c2[nH]c3ccccc3n2C)c2ccccc21 ZINC000408653478 528919969 /nfs/dbraw/zinc/91/99/69/528919969.db2.gz JEKMBXXYYXNSIR-WSDLNYQXSA-N 0 1 375.432 3.537 40 30 GHEBMN CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000015223265 570904189 /nfs/dbraw/zinc/90/41/89/570904189.db2.gz XYHIMOKLNQQMLK-YBEGLDIGSA-N 0 1 399.428 3.763 40 30 GHEBMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(O)c1 ZINC000085409726 526833394 /nfs/dbraw/zinc/83/33/94/526833394.db2.gz ZNNRGVGFHKZONB-AWEZNQCLSA-N 0 1 384.438 3.693 40 30 GHEBMN CC(C)Nc1nc(NNc2c(F)c(F)cc(F)c2F)cc(C(F)(F)F)n1 ZINC000329015356 570212683 /nfs/dbraw/zinc/21/26/83/570212683.db2.gz NAJQNOPJSTVHSR-UHFFFAOYSA-N 0 1 383.271 3.733 40 30 GHEBMN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cc([N+](=O)[O-])ccc1O ZINC000003026203 570326505 /nfs/dbraw/zinc/32/65/05/570326505.db2.gz BLPARMBZQTWBBZ-LSHDLFTRSA-N 0 1 387.355 3.738 40 30 GHEBMN COc1cc(OC)c(C=Nn2c(=S)[nH]nc2C2CCCCC2)c(OC)c1 ZINC000254752455 570485063 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O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1Cl ZINC000408740771 231109946 /nfs/dbraw/zinc/10/99/46/231109946.db2.gz MIZSAQFNBHLTIP-GXBAXFRPSA-N 0 1 392.267 3.760 40 30 GHEBMN C=CCc1ccccc1OC[C@@H](S)CN1CCN(Cc2ccccc2)CC1 ZINC000022872253 519146679 /nfs/dbraw/zinc/14/66/79/519146679.db2.gz ABEOVEOPJGXRFJ-QFIPXVFZSA-N 0 1 382.573 3.910 40 30 GHEBMN CCN1C(=O)/C(=C\c2cc(O)ccc2[N+](=O)[O-])S/C1=N/c1ccc(OC)cc1 ZINC000409249355 528944671 /nfs/dbraw/zinc/94/46/71/528944671.db2.gz KHVRLPGLOAJWRS-QSAFIDALSA-N 0 1 399.428 3.933 40 30 GHEBMN Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000585294551 570716745 /nfs/dbraw/zinc/71/67/45/570716745.db2.gz IHDIUMQQDFRUNN-UHFFFAOYSA-N 0 1 385.475 3.570 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3ccccc3C(C)C)C(=O)NC2=S)cc1 ZINC000016292820 570921484 /nfs/dbraw/zinc/92/14/84/570921484.db2.gz QHORFMDPEIHYQS-SLCIXIPPSA-N 0 1 379.485 3.885 40 30 GHEBMN C#CCOc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1 ZINC000013994535 209166686 /nfs/dbraw/zinc/16/66/86/209166686.db2.gz MXJJYPQIELANDL-NRFANRHFSA-N 0 1 379.456 3.609 40 30 GHEBMN CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)cc2)cc1OC ZINC000001300086 520855946 /nfs/dbraw/zinc/85/59/46/520855946.db2.gz DZQDYRQZKWTMIO-NDENLUEZSA-N 0 1 384.461 3.906 40 30 GHEBMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(O)c1 ZINC000085409723 526833615 /nfs/dbraw/zinc/83/36/15/526833615.db2.gz ZNNRGVGFHKZONB-CQSZACIVSA-N 0 1 384.438 3.693 40 30 GHEBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC ZINC000409408846 527227614 /nfs/dbraw/zinc/22/76/14/527227614.db2.gz RWAZTNIZSFJFLM-RGEXLXHISA-N 0 1 392.455 3.674 40 30 GHEBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000408743115 231110461 /nfs/dbraw/zinc/11/04/61/231110461.db2.gz ZJHDRDQCQPWKCH-IDTCLIEOSA-N 0 1 392.267 3.760 40 30 GHEBMN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000409299028 231189255 /nfs/dbraw/zinc/18/92/55/231189255.db2.gz PELLYMHFCOEOFG-UHFFFAOYSA-N 0 1 392.415 3.940 40 30 GHEBMN CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000100253349 529775026 /nfs/dbraw/zinc/77/50/26/529775026.db2.gz GBOVEFLGZHBXFK-HYARGMPZSA-N 0 1 380.473 3.699 40 30 GHEBMN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1nc(C)cc(C)n1 ZINC000007778406 209745428 /nfs/dbraw/zinc/74/54/28/209745428.db2.gz VUMQJIHGWMEBRV-HYARGMPZSA-N 0 1 375.480 3.634 40 30 GHEBMN C#CCOc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1 ZINC000013994538 209166976 /nfs/dbraw/zinc/16/69/76/209166976.db2.gz MXJJYPQIELANDL-OAQYLSRUSA-N 0 1 379.456 3.609 40 30 GHEBMN C=CCc1ccccc1OC[C@H](S)CN1CCN(Cc2ccccc2)CC1 ZINC000022872250 519147094 /nfs/dbraw/zinc/14/70/94/519147094.db2.gz ABEOVEOPJGXRFJ-JOCHJYFZSA-N 0 1 382.573 3.910 40 30 GHEBMN CC(C)(C)c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408740803 526761384 /nfs/dbraw/zinc/76/13/84/526761384.db2.gz MTEDKENXLVNINC-KOWBDXASSA-N 0 1 379.485 3.751 40 30 GHEBMN C=CCc1cc(/C=N/O)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409070195 527228687 /nfs/dbraw/zinc/22/86/87/527228687.db2.gz DVBSSHLAGPCHGA-YBFXNURJSA-N 0 1 381.837 3.653 40 30 GHEBMN C=CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)s1 ZINC000224076520 570353009 /nfs/dbraw/zinc/35/30/09/570353009.db2.gz HZFLPQCENWQYLH-AWEZNQCLSA-N 0 1 392.525 3.806 40 30 GHEBMN Cc1cc(N2CCCC2)c(F)cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000107892222 856619282 /nfs/dbraw/zinc/61/92/82/856619282.db2.gz UKLQIQHQAJMQHR-RGVLZGJSSA-N 0 1 387.371 3.997 40 30 GHEBMN CCn1c2ccccc2nc1NN=Cc1cc(OC)cc(Br)c1O ZINC000408692727 231095204 /nfs/dbraw/zinc/09/52/04/231095204.db2.gz TVQVSAYTGGXWRT-VXLYETTFSA-N 0 1 389.253 3.979 40 30 GHEBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000408741762 231110387 /nfs/dbraw/zinc/11/03/87/231110387.db2.gz NSAXYDUKTAXMDR-UMXKZIAQSA-N 0 1 392.267 3.760 40 30 GHEBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408742022 231111080 /nfs/dbraw/zinc/11/10/80/231111080.db2.gz OVRHDVDEZNEXHH-IEEVUCOHSA-N 0 1 392.267 3.760 40 30 GHEBMN COC(=O)C(=CC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 ZINC000100249058 522740040 /nfs/dbraw/zinc/74/00/40/522740040.db2.gz CYOKBDAXCWIVFW-GDNBJRDFSA-N 0 1 394.305 3.965 40 30 GHEBMN N=C(/N=C/c1cc([N+](=O)[O-])ccc1[O-])SC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000008295273 570410780 /nfs/dbraw/zinc/41/07/80/570410780.db2.gz WLHXYODDKCAAPL-TUNONYLKSA-N 0 1 376.482 3.652 40 30 GHEBMN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc([N+](=O)[O-])c1O ZINC000059145598 570651276 /nfs/dbraw/zinc/65/12/76/570651276.db2.gz LNAOLYIWEYTKKY-GDNBJRDFSA-N 0 1 385.401 3.591 40 30 GHEBMN COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1OC ZINC000020060622 570940106 /nfs/dbraw/zinc/94/01/06/570940106.db2.gz GFKZRNQTYMUQLI-LPYMAVHISA-N 0 1 397.456 3.650 40 30 GHEBMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000066088880 521705425 /nfs/dbraw/zinc/70/54/25/521705425.db2.gz YTRYLKAOSBNSEM-HXUWFJFHSA-N 0 1 395.455 3.700 40 30 GHEBMN COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1nccs1 ZINC000085409831 524805773 /nfs/dbraw/zinc/80/57/73/524805773.db2.gz AMSROZUETDWOPI-HNNXBMFYSA-N 0 1 398.465 3.996 40 30 GHEBMN C=CCSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000224076463 570354143 /nfs/dbraw/zinc/35/41/43/570354143.db2.gz HZFLPQCENWQYLH-CQSZACIVSA-N 0 1 392.525 3.806 40 30 GHEBMN C=CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)s1 ZINC000224076463 570354145 /nfs/dbraw/zinc/35/41/45/570354145.db2.gz HZFLPQCENWQYLH-CQSZACIVSA-N 0 1 392.525 3.806 40 30 GHEBMN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000005408730 570664208 /nfs/dbraw/zinc/66/42/08/570664208.db2.gz AOOLTRUXWPOPRH-KRWDZBQOSA-N 0 1 387.819 3.565 40 30 GHEBMN N#Cc1ccc(Nc2cnc([C@H]3CCCN3Cc3ccc4[nH]ccc4c3)cn2)cn1 ZINC000585294043 570720517 /nfs/dbraw/zinc/72/05/17/570720517.db2.gz MZELSXLVWDWVQY-JOCHJYFZSA-N 0 1 395.470 3.727 40 30 GHEBMN Cc1ccc(C)c(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408740800 231109746 /nfs/dbraw/zinc/10/97/46/231109746.db2.gz IDMAFRPHLCOCCH-SBUZPKSBSA-N 0 1 385.876 3.723 40 30 GHEBMN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3ccco3)n[nH]1)CCCC2 ZINC000409272576 534767039 /nfs/dbraw/zinc/76/70/39/534767039.db2.gz NFUWLECYENDEEH-UHFFFAOYSA-N 0 1 385.474 3.607 40 30 GHEBMN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000085409875 525224923 /nfs/dbraw/zinc/22/49/23/525224923.db2.gz DSJULCIZTYQBLD-OAHLLOKOSA-N 0 1 398.465 3.996 40 30 GHEBMN CCOC(=O)Cn1c(C)c(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc21 ZINC000409180486 528920509 /nfs/dbraw/zinc/92/05/09/528920509.db2.gz YGYCTLJEOFSVSG-WSDLNYQXSA-N 0 1 375.432 3.835 40 30 GHEBMN C=CCc1cc(CN2CCC(O)(c3ccccc3OC)CC2)cc(OC)c1O ZINC000012344198 570237032 /nfs/dbraw/zinc/23/70/32/570237032.db2.gz HIHWEBCXGDKXKX-UHFFFAOYSA-N 0 1 383.488 3.622 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3cccc(Cl)c3C)C(=O)NC2=S)cc1 ZINC000408760124 570469718 /nfs/dbraw/zinc/46/97/18/570469718.db2.gz RZEMGBZNRQGSQD-YYLUKMIBSA-N 0 1 385.876 3.723 40 30 GHEBMN CCOC(=O)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)cc1 ZINC000137423507 570499966 /nfs/dbraw/zinc/49/99/66/570499966.db2.gz ILPVMDWEAXYZLL-XDNJSQOTSA-N 0 1 388.470 3.503 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3ccc(F)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408756308 570545412 /nfs/dbraw/zinc/54/54/12/570545412.db2.gz RGNMXGMEWLYTGH-OGTYSZTOSA-N 0 1 389.839 3.554 40 30 GHEBMN CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cc1 ZINC000036003624 570550895 /nfs/dbraw/zinc/55/08/95/570550895.db2.gz IUOZUJGIKSTDOH-VXLYETTFSA-N 0 1 386.433 3.582 40 30 GHEBMN CN(C)c1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)cc1 ZINC000585292999 570717836 /nfs/dbraw/zinc/71/78/36/570717836.db2.gz BNBRRRPLNNICEN-QFIPXVFZSA-N 0 1 399.502 3.890 40 30 GHEBMN Cc1cncc(CN2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)c1 ZINC000585295093 570719121 /nfs/dbraw/zinc/71/91/21/570719121.db2.gz ZUCSLWHFTUQSPD-SFHVURJKSA-N 0 1 376.489 3.616 40 30 GHEBMN Clc1ccc(Cn2cc(CN=Nc3nn[nH]n3)c3ccccc32)c(Cl)c1 ZINC000005395224 570732631 /nfs/dbraw/zinc/73/26/31/570732631.db2.gz OHEUOIGEXRYWIW-ZBKNUEDVSA-N 0 1 386.246 3.956 40 30 GHEBMN C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000108043330 843349339 /nfs/dbraw/zinc/34/93/39/843349339.db2.gz CZMVVMXHCMVVPI-UHFFFAOYSA-N 0 1 378.881 3.673 40 30 GHEBMN Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@](C)(C#N)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000247996181 870257819 /nfs/dbraw/zinc/25/78/19/870257819.db2.gz MKNWARFTXNRPCG-JHDGKUDLSA-N 0 1 399.454 3.594 40 30 GHEBMN COc1cc(OC)c(C=NN=c2[nH]c3ccccc3n2C)cc1Br ZINC000408662378 231092027 /nfs/dbraw/zinc/09/20/27/231092027.db2.gz RKLNTKLYUVFSGA-VXLYETTFSA-N 0 1 389.253 3.799 40 30 GHEBMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1Cl ZINC000408740776 231109530 /nfs/dbraw/zinc/10/95/30/231109530.db2.gz MIZSAQFNBHLTIP-QQZXWGPFSA-N 0 1 392.267 3.760 40 30 GHEBMN Cc1ccc(N2C(=O)C(=CNc3ccc(C)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000408765701 231112683 /nfs/dbraw/zinc/11/26/83/231112683.db2.gz XGTPTVYGWHTPBX-IZBZYRJBSA-N 0 1 385.876 3.723 40 30 GHEBMN O=C(c1ccco1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001440174 209328262 /nfs/dbraw/zinc/32/82/62/209328262.db2.gz 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ZINC000095532728 519147486 /nfs/dbraw/zinc/14/74/86/519147486.db2.gz NKXANEQIIPDPNV-FQEVSTJZSA-N 0 1 398.572 3.923 40 30 GHEBMN COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1c1nccs1 ZINC000085409849 524805300 /nfs/dbraw/zinc/80/53/00/524805300.db2.gz YKQQLOYQXCHMOU-HNNXBMFYSA-N 0 1 382.397 3.528 40 30 GHEBMN C=CCc1cc(/C=N/O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409064465 527229557 /nfs/dbraw/zinc/22/95/57/527229557.db2.gz HFAVFJWPUYJIIP-DEDYPNTBSA-N 0 1 375.446 3.698 40 30 GHEBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C1=O ZINC000002312724 855187985 /nfs/dbraw/zinc/18/79/85/855187985.db2.gz DCWQXSCBTYXNME-OVCLIPMQSA-N 0 1 396.472 3.966 40 30 GHEBMN C#CCOc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1OCC ZINC000046192331 856621248 /nfs/dbraw/zinc/62/12/48/856621248.db2.gz JPBKUIQWBBQNGE-KGENOOAVSA-N 0 1 378.457 3.901 40 30 GHEBMN COc1cc(N2CCCCC2)ccc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409229691 532954442 /nfs/dbraw/zinc/95/44/42/532954442.db2.gz SXXJIWRSMMOJAY-DEDYPNTBSA-N 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N=C(NCCC(c1ccccc1)c1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000225241753 231032952 /nfs/dbraw/zinc/03/29/52/231032952.db2.gz YUGCAJGQGUDOLK-UHFFFAOYSA-N 0 1 375.432 3.939 40 30 GHEBMN Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1I ZINC000408660451 231091900 /nfs/dbraw/zinc/09/19/00/231091900.db2.gz PZORRODQPORFOR-LICLKQGHSA-N 0 1 376.201 3.624 40 30 GHEBMN C=CCn1ncc(CN2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1C ZINC000072396700 519291389 /nfs/dbraw/zinc/29/13/89/519291389.db2.gz RSWGDSNUEBGXPL-OAHLLOKOSA-N 0 1 384.509 3.572 40 30 GHEBMN Oc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(O)c1 ZINC000019682375 571028301 /nfs/dbraw/zinc/02/83/01/571028301.db2.gz CDGPPGCEYYZDBQ-XYGWBWBKSA-N 0 1 385.467 3.819 40 30 GHEBMN C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000015012700 519126772 /nfs/dbraw/zinc/12/67/72/519126772.db2.gz MRGDVYRKIZLNLX-YVLHZVERSA-N 0 1 398.846 3.836 40 30 GHEBMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000066088870 521705244 /nfs/dbraw/zinc/70/52/44/521705244.db2.gz 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/nfs/dbraw/zinc/97/27/57/522972757.db2.gz VYEMTOFMJGLKBC-OVCLIPMQSA-N 0 1 385.401 3.509 40 30 GHEBMN C=CCN1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O ZINC000408726228 526406587 /nfs/dbraw/zinc/40/65/87/526406587.db2.gz KGOOAOBSQVKCFF-FOWTUZBSSA-N 0 1 396.830 3.567 40 30 GHEBMN C=CCOc1c(CN2CCC(O)(c3ccccc3OC)CC2)cccc1OC ZINC000012344870 570236571 /nfs/dbraw/zinc/23/65/71/570236571.db2.gz UZTGKXXMTMGVQZ-UHFFFAOYSA-N 0 1 383.488 3.752 40 30 GHEBMN C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 ZINC000035031554 525458073 /nfs/dbraw/zinc/45/80/73/525458073.db2.gz FEACBXQMCWENHN-CEXWTWQISA-N 0 1 377.598 3.733 40 30 GHEBMN CCCCCCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCC ZINC000408537452 528133075 /nfs/dbraw/zinc/13/30/75/528133075.db2.gz FHYFBRIREPTZMO-UHFFFAOYSA-N 0 1 388.464 3.574 40 30 GHEBMN