smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C#N ZINC001545908529 1065591009 /nfs/dbraw/zinc/59/10/09/1065591009.db2.gz JENRLECEVXYPRB-UHFFFAOYSA-N -1 1 453.495 4.538 20 30 JJEDMM N#Cc1sccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001440478216 1065943075 /nfs/dbraw/zinc/94/30/75/1065943075.db2.gz FJFMDBYHZPSQBU-UHFFFAOYSA-N -1 1 451.451 4.692 20 30 JJEDMM N#CC[C@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC001441392020 1066036801 /nfs/dbraw/zinc/03/68/01/1066036801.db2.gz WLHGJKSTOJSKAP-QGZVFWFLSA-N -1 1 455.486 4.792 20 30 JJEDMM CCCCCCCCc1nnc([N-]C(=O)c2nscc2I)s1 ZINC001442063459 1066088808 /nfs/dbraw/zinc/08/88/08/1066088808.db2.gz YNZBELQOAMNXQU-UHFFFAOYSA-N -1 1 450.371 4.755 20 30 JJEDMM N#Cc1ccc(CNC(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[O-])c(F)c1 ZINC001443560890 1066328400 /nfs/dbraw/zinc/32/84/00/1066328400.db2.gz ASJZEONDOZZAIN-UHFFFAOYSA-N -1 1 458.276 4.892 20 30 JJEDMM Cc1ccc(C(=O)N(C)Cc2cc(C#N)cs2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001456481880 1066595209 /nfs/dbraw/zinc/59/52/09/1066595209.db2.gz YOFVNKONZLDHSY-UHFFFAOYSA-N -1 1 459.980 4.655 20 30 JJEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC001446659609 1066730398 /nfs/dbraw/zinc/73/03/98/1066730398.db2.gz XLZTWNYLNBSWGA-VWLOTQADSA-N -1 1 453.608 4.859 20 30 JJEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001451330637 1067160164 /nfs/dbraw/zinc/16/01/64/1067160164.db2.gz QZACMXAYJXKEHK-QHCPKHFHSA-N -1 1 452.551 4.852 20 30 JJEDMM N#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001453302469 1067295913 /nfs/dbraw/zinc/29/59/13/1067295913.db2.gz FPYXELVWNKNZOR-AWEZNQCLSA-N -1 1 452.363 4.560 20 30 JJEDMM CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001463848396 1068547219 /nfs/dbraw/zinc/54/72/19/1068547219.db2.gz RGNHODDVXNEQKA-FQEVSTJZSA-N -1 1 453.536 4.989 20 30 JJEDMM C#CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1 ZINC001545886094 1064303150 /nfs/dbraw/zinc/30/31/50/1064303150.db2.gz QWPTXWMLNRUMGS-QFIPXVFZSA-N -1 1 456.926 4.774 20 30 JJEDMM N#CCCCn1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c2ccccc21 ZINC001441345867 1066031434 /nfs/dbraw/zinc/03/14/34/1066031434.db2.gz FNHLFPBNAMGIGV-UHFFFAOYSA-N -1 1 458.543 4.998 20 30 JJEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC001441944650 1066082210 /nfs/dbraw/zinc/08/22/10/1066082210.db2.gz CZYVTCPXBVBCOD-UHFFFAOYSA-N -1 1 450.560 4.633 20 30 JJEDMM C#CCOc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001445032742 1066530985 /nfs/dbraw/zinc/53/09/85/1066530985.db2.gz OZGZMAWYGIWFGS-UHFFFAOYSA-N -1 1 458.898 4.544 20 30 JJEDMM Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001446500596 1066711404 /nfs/dbraw/zinc/71/14/04/1066711404.db2.gz XSRBPZZGNLRBAK-JOCHJYFZSA-N -1 1 451.523 4.710 20 30 JJEDMM CON1CCC(C(=O)[N-][C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC001446642556 1066728147 /nfs/dbraw/zinc/72/81/47/1066728147.db2.gz KALPHTBGWJGLBA-CYBMUJFWSA-N -1 1 452.317 4.717 20 30 JJEDMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N(O)Cc1cccc2ccccc21 ZINC001458015739 1066957155 /nfs/dbraw/zinc/95/71/55/1066957155.db2.gz GQLCILCAMKPFSH-UHFFFAOYSA-N -1 1 450.491 4.811 20 30 JJEDMM O=C([N-][C@H](CO)c1ccccc1OC(F)(F)F)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001448941554 1066972241 /nfs/dbraw/zinc/97/22/41/1066972241.db2.gz ULTOCUQPDMGQFB-CKNOQMABSA-N -1 1 455.301 4.903 20 30 JJEDMM CC(C)(C)Oc1ccc(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])cc1C#N ZINC001450009387 1067041267 /nfs/dbraw/zinc/04/12/67/1067041267.db2.gz BZVMJJZXUQBCTM-UHFFFAOYSA-N -1 1 451.401 4.804 20 30 JJEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001452004509 1067203049 /nfs/dbraw/zinc/20/30/49/1067203049.db2.gz SRAXIWJIOPKPRQ-KRWDZBQOSA-N -1 1 451.523 4.640 20 30 JJEDMM C#C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 ZINC001452199765 1067213666 /nfs/dbraw/zinc/21/36/66/1067213666.db2.gz GIWIPPAAKCSKES-OAQYLSRUSA-N -1 1 459.354 4.899 20 30 JJEDMM CCCCc1ccc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)c2cccs2)cc1 ZINC001462742914 1068151750 /nfs/dbraw/zinc/15/17/50/1068151750.db2.gz BGZPVFAIIYWYOG-JOCHJYFZSA-N -1 1 455.561 4.938 20 30 JJEDMM C=CCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC001440495663 1065944486 /nfs/dbraw/zinc/94/44/86/1065944486.db2.gz FSKHRXIVUUDUIU-UHFFFAOYSA-N -1 1 456.951 4.887 20 30 JJEDMM N#CC[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccccc1 ZINC001441392009 1066036994 /nfs/dbraw/zinc/03/69/94/1066036994.db2.gz WLHGJKSTOJSKAP-KRWDZBQOSA-N -1 1 455.486 4.792 20 30 JJEDMM O=C([N-][C@@H](CO)c1ccccc1OC(F)(F)F)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001448941555 1066972159 /nfs/dbraw/zinc/97/21/59/1066972159.db2.gz ULTOCUQPDMGQFB-NHXNDTTKSA-N -1 1 455.301 4.903 20 30 JJEDMM N#C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2Cl)C1 ZINC001451992088 1067203149 /nfs/dbraw/zinc/20/31/49/1067203149.db2.gz QUHUPKQCOXOVBF-GXTWGEPZSA-N -1 1 471.888 4.582 20 30 JJEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccc(C#N)c1C ZINC001463582256 1068455281 /nfs/dbraw/zinc/45/52/81/1068455281.db2.gz MUANSXVFBJJKRU-UHFFFAOYSA-N -1 1 455.923 4.582 20 30 JJEDMM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001435649706 1064907472 /nfs/dbraw/zinc/90/74/72/1064907472.db2.gz XXDICNSMGBVGEN-TUAOUCFPSA-N -1 1 451.285 4.643 20 30 JJEDMM C=C[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC001440430705 1065940930 /nfs/dbraw/zinc/94/09/30/1065940930.db2.gz ACCKCJKQRRDCNY-OAQYLSRUSA-N -1 1 451.504 4.612 20 30 JJEDMM Cc1ccc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001441347560 1066031309 /nfs/dbraw/zinc/03/13/09/1066031309.db2.gz MAYIAAAWCLHBSS-UHFFFAOYSA-N -1 1 458.461 4.805 20 30 JJEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001443353376 1066299023 /nfs/dbraw/zinc/29/90/23/1066299023.db2.gz GPJCCEIVROMMRH-UHFFFAOYSA-N -1 1 455.486 4.635 20 30 JJEDMM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2n[nH]cc2C1 ZINC001546069886 1066369000 /nfs/dbraw/zinc/36/90/00/1066369000.db2.gz YEPJJRZVOSCEBN-RTHLEPHNSA-N -1 1 459.312 4.972 20 30 JJEDMM Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001446500598 1066711417 /nfs/dbraw/zinc/71/14/17/1066711417.db2.gz XSRBPZZGNLRBAK-QFIPXVFZSA-N -1 1 451.523 4.710 20 30 JJEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c([O-])c1 ZINC001446667976 1066730853 /nfs/dbraw/zinc/73/08/53/1066730853.db2.gz ALJBNCIHSYLGOX-UHFFFAOYSA-N -1 1 453.886 4.702 20 30 JJEDMM Cc1nc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nn1-c1c(Cl)cccc1Cl ZINC001458174050 1066996410 /nfs/dbraw/zinc/99/64/10/1066996410.db2.gz YGHUXBRULLXSHR-UHFFFAOYSA-N -1 1 451.657 4.568 20 30 JJEDMM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001449894715 1067034789 /nfs/dbraw/zinc/03/47/89/1067034789.db2.gz FCRGPMIASFNBKI-YADHBBJMSA-N -1 1 456.608 4.557 20 30 JJEDMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@]3(C#N)CC3(C)C)cc2)c1C ZINC001450541312 1067088513 /nfs/dbraw/zinc/08/85/13/1067088513.db2.gz MWEOSUXZRNDLDR-VWLOTQADSA-N -1 1 453.608 4.824 20 30 JJEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001451330633 1067160239 /nfs/dbraw/zinc/16/02/39/1067160239.db2.gz QZACMXAYJXKEHK-HSZRJFAPSA-N -1 1 452.551 4.852 20 30 JJEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)ccc2C)c1 ZINC001451655726 1067183804 /nfs/dbraw/zinc/18/38/04/1067183804.db2.gz UMGDEMMDFQCXRJ-DEOSSOPVSA-N -1 1 459.571 4.783 20 30 JJEDMM C#C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 ZINC001452199761 1067213705 /nfs/dbraw/zinc/21/37/05/1067213705.db2.gz GIWIPPAAKCSKES-NRFANRHFSA-N -1 1 459.354 4.899 20 30 JJEDMM N#Cc1cccc2[nH]cc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)c21 ZINC001463625643 1068472133 /nfs/dbraw/zinc/47/21/33/1068472133.db2.gz KYXGLMQIFSBJPA-UHFFFAOYSA-N -1 1 450.907 4.746 20 30 JJEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC001463883086 1068555212 /nfs/dbraw/zinc/55/52/12/1068555212.db2.gz FSWZJSXCHWNUIC-UHFFFAOYSA-N -1 1 450.560 4.715 20 30 JJEDMM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC001464139072 1068631011 /nfs/dbraw/zinc/63/10/11/1068631011.db2.gz VTESCCARYMWRED-GOSISDBHSA-N -1 1 454.267 4.905 20 30 JJEDMM COC(=O)[C@@H]1CC[C@@H]1C(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001435649705 1064907510 /nfs/dbraw/zinc/90/75/10/1064907510.db2.gz XXDICNSMGBVGEN-QJPTWQEYSA-N -1 1 451.285 4.643 20 30 JJEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CCC[C@H]3C#N)cc2)c(C)c1C ZINC001454651257 1066315077 /nfs/dbraw/zinc/31/50/77/1066315077.db2.gz JGWLOTQNZXYRIZ-GMAHTHKFSA-N -1 1 453.608 4.794 20 30 JJEDMM C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl ZINC001444106242 1066406710 /nfs/dbraw/zinc/40/67/10/1066406710.db2.gz ZFUKKCJSYYLPQC-GFCCVEGCSA-N -1 1 457.777 4.598 20 30 JJEDMM C=CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)cc1 ZINC001449220910 1066990582 /nfs/dbraw/zinc/99/05/82/1066990582.db2.gz BGBWLXVBSKHIBR-UHFFFAOYSA-N -1 1 450.560 4.599 20 30 JJEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2F)C2CCCC2)cc1Br ZINC001463290309 1068346420 /nfs/dbraw/zinc/34/64/20/1068346420.db2.gz YYPGURUNBYTDKQ-IBGZPJMESA-N -1 1 455.324 4.809 20 30 JJEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001435109814 1064519332 /nfs/dbraw/zinc/51/93/32/1064519332.db2.gz SPSLKLRPOGMRMW-ZDUSSCGKSA-N -1 1 450.532 4.653 20 30 JJEDMM C=C[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC001440430691 1065940091 /nfs/dbraw/zinc/94/00/91/1065940091.db2.gz ACCKCJKQRRDCNY-NRFANRHFSA-N -1 1 451.504 4.612 20 30 JJEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC001443366679 1066302584 /nfs/dbraw/zinc/30/25/84/1066302584.db2.gz WGCAYENTHJUTJY-HXUWFJFHSA-N -1 1 457.914 4.583 20 30 JJEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)cc2)c(C)c1C ZINC001454651251 1066314790 /nfs/dbraw/zinc/31/47/90/1066314790.db2.gz JGWLOTQNZXYRIZ-FYYLOGMGSA-N -1 1 453.608 4.794 20 30 JJEDMM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2n[nH]cc2C1 ZINC001546069884 1066369208 /nfs/dbraw/zinc/36/92/08/1066369208.db2.gz YEPJJRZVOSCEBN-CLAHSXSESA-N -1 1 459.312 4.972 20 30 JJEDMM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2n[nH]cc2C1 ZINC001546069887 1066369802 /nfs/dbraw/zinc/36/98/02/1066369802.db2.gz YEPJJRZVOSCEBN-XLKFXECMSA-N -1 1 459.312 4.972 20 30 JJEDMM C#Cc1ccc(NC(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2[O-])c(Cl)c1 ZINC001456611248 1066642835 /nfs/dbraw/zinc/64/28/35/1066642835.db2.gz FQJRGYDPNYBJSL-UHFFFAOYSA-N -1 1 450.878 4.549 20 30 JJEDMM C[C@]1(C#N)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001546084685 1066679030 /nfs/dbraw/zinc/67/90/30/1066679030.db2.gz RNIYSRMJHMWRAM-HXUWFJFHSA-N -1 1 452.363 4.560 20 30 JJEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)(C#N)CC3)ccc2C)cc1 ZINC001446797356 1066741169 /nfs/dbraw/zinc/74/11/69/1066741169.db2.gz WUVQZFACOALWIJ-UHFFFAOYSA-N -1 1 453.608 4.904 20 30 JJEDMM N#Cc1cc(C(F)(F)F)cc(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC001458289920 1067022274 /nfs/dbraw/zinc/02/22/74/1067022274.db2.gz HXRMOEPOSABEHM-UHFFFAOYSA-N -1 1 450.417 4.524 20 30 JJEDMM CCCCc1ccc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)c2cccs2)cc1 ZINC001462742916 1068151716 /nfs/dbraw/zinc/15/17/16/1068151716.db2.gz BGZPVFAIIYWYOG-QFIPXVFZSA-N -1 1 455.561 4.938 20 30 JJEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCCC2)cc1Br ZINC001462958315 1068229731 /nfs/dbraw/zinc/22/97/31/1068229731.db2.gz FBLXUFNGEQWAGD-IBGZPJMESA-N -1 1 455.324 4.809 20 30 JJEDMM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1cc(Br)sc1Cl ZINC001463233313 1068330044 /nfs/dbraw/zinc/33/00/44/1068330044.db2.gz BTJSIBUIXZRPPR-UHFFFAOYSA-N -1 1 458.708 4.513 20 30 JJEDMM C=C(CC)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(OCC)c(Br)c2)c1 ZINC001463595093 1068459475 /nfs/dbraw/zinc/45/94/75/1068459475.db2.gz JGWXQHOQXMFSSV-UHFFFAOYSA-N -1 1 453.358 4.553 20 30 JJEDMM C#Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001463619525 1068468647 /nfs/dbraw/zinc/46/86/47/1068468647.db2.gz BOYZPJGNCISNPU-UHFFFAOYSA-N -1 1 458.461 4.669 20 30 JJEDMM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC001464139075 1068631187 /nfs/dbraw/zinc/63/11/87/1068631187.db2.gz VTESCCARYMWRED-SFHVURJKSA-N -1 1 454.267 4.905 20 30 JJEDMM N#Cc1csc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC001440479076 1065943207 /nfs/dbraw/zinc/94/32/07/1065943207.db2.gz HRVWEZAMOHKBLL-UHFFFAOYSA-N -1 1 451.451 4.692 20 30 JJEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)cc2)c(C)c1C ZINC001454651260 1066314820 /nfs/dbraw/zinc/31/48/20/1066314820.db2.gz JGWLOTQNZXYRIZ-JTHBVZDNSA-N -1 1 453.608 4.794 20 30 JJEDMM C=CC1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC001444020614 1066395309 /nfs/dbraw/zinc/39/53/09/1066395309.db2.gz SSZYWKTUFUAQHU-UHFFFAOYSA-N -1 1 453.391 4.761 20 30 JJEDMM CN(C)C(=O)CCCC(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001446652942 1066729357 /nfs/dbraw/zinc/72/93/57/1066729357.db2.gz YOYUVRBOUPVKJQ-CQSZACIVSA-N -1 1 452.317 4.702 20 30 JJEDMM C[C@@H](C#N)CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1)C1CC1 ZINC001447070224 1066770853 /nfs/dbraw/zinc/77/08/53/1066770853.db2.gz MIVLDDPSRNLETL-IBGZPJMESA-N -1 1 459.571 4.919 20 30 JJEDMM O=C([N-][C@@H](CO)c1ccccc1OC(F)(F)F)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001448941576 1066972189 /nfs/dbraw/zinc/97/21/89/1066972189.db2.gz ULTOCUQPDMGQFB-OWTLUSIOSA-N -1 1 455.301 4.903 20 30 JJEDMM C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1)c1ccc(Cl)cc1 ZINC001450853533 1067132426 /nfs/dbraw/zinc/13/24/26/1067132426.db2.gz WHRGAEZEOILJRO-JOCHJYFZSA-N -1 1 452.963 4.862 20 30 JJEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC001452004512 1067202942 /nfs/dbraw/zinc/20/29/42/1067202942.db2.gz SRAXIWJIOPKPRQ-QGZVFWFLSA-N -1 1 451.523 4.640 20 30 JJEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC001446659606 1066730328 /nfs/dbraw/zinc/73/03/28/1066730328.db2.gz XLZTWNYLNBSWGA-RUZDIDTESA-N -1 1 453.608 4.859 20 30 JJEDMM CC(C)(CCC#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001450760026 1067117512 /nfs/dbraw/zinc/11/75/12/1067117512.db2.gz NQKPQOWEHDHUQG-UHFFFAOYSA-N -1 1 453.486 4.566 20 30 JJEDMM C=CCC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(CCCC)cc3)c2)CCOCC1 ZINC001452998389 1067273180 /nfs/dbraw/zinc/27/31/80/1067273180.db2.gz QVGDHFJWRDOHTJ-UHFFFAOYSA-N -1 1 456.608 4.685 20 30 JJEDMM N#Cc1ccc(C2(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)CC2)cc1 ZINC001463626652 1068472839 /nfs/dbraw/zinc/47/28/39/1068472839.db2.gz NESMMLZXHRHWRB-UHFFFAOYSA-N -1 1 451.935 4.683 20 30 JJEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C3CCCCC3)cc2)cc1Br ZINC001463757641 1068514998 /nfs/dbraw/zinc/51/49/98/1068514998.db2.gz ZLRNCGCPTDDBEJ-UHFFFAOYSA-N -1 1 451.361 4.986 20 30 JJEDMM CN1C/C(=C\c2ccc([O-])c(Br)c2)C(=O)/C(=C/c2ccc(O)c(Br)c2)C1 ZINC000029051805 563093060 /nfs/dbraw/zinc/09/30/60/563093060.db2.gz ZRUNGEBRUZSURT-MKFXEVHTSA-N -1 1 479.168 4.604 20 30 JJEDMM C#CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1)c1ccccc1 ZINC001545886093 1064302967 /nfs/dbraw/zinc/30/29/67/1064302967.db2.gz QWPTXWMLNRUMGS-JOCHJYFZSA-N -1 1 456.926 4.774 20 30 JJEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)c3cccc(C#N)c3)c2)c1 ZINC001455782274 1066430891 /nfs/dbraw/zinc/43/08/91/1066430891.db2.gz SMJJGFKSHVNQOZ-MRXNPFEDSA-N -1 1 453.951 4.812 20 30 JJEDMM C[C@@]1(C#N)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC001546084684 1066678960 /nfs/dbraw/zinc/67/89/60/1066678960.db2.gz RNIYSRMJHMWRAM-FQEVSTJZSA-N -1 1 452.363 4.560 20 30 JJEDMM CN(C)C(=O)CCCC(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001446652938 1066729303 /nfs/dbraw/zinc/72/93/03/1066729303.db2.gz YOYUVRBOUPVKJQ-AWEZNQCLSA-N -1 1 452.317 4.702 20 30 JJEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC001435109805 1064519533 /nfs/dbraw/zinc/51/95/33/1064519533.db2.gz SPSLKLRPOGMRMW-CYBMUJFWSA-N -1 1 450.532 4.653 20 30 JJEDMM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440500230 1065944951 /nfs/dbraw/zinc/94/49/51/1065944951.db2.gz SAPALDCKTMXAMJ-UHFFFAOYSA-N -1 1 450.907 4.746 20 30 JJEDMM C=C(C)[C@@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)OCC ZINC001440524426 1065947937 /nfs/dbraw/zinc/94/79/37/1065947937.db2.gz YGIIYOJKBVLBNI-LJQANCHMSA-N -1 1 456.486 4.816 20 30 JJEDMM C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC001440835892 1065983016 /nfs/dbraw/zinc/98/30/16/1065983016.db2.gz WUHADRCCXDLYIE-UHFFFAOYSA-N -1 1 450.560 4.715 20 30 JJEDMM C=CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl ZINC001444106247 1066406940 /nfs/dbraw/zinc/40/69/40/1066406940.db2.gz ZFUKKCJSYYLPQC-LBPRGKRZSA-N -1 1 457.777 4.598 20 30 JJEDMM C#CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001447866889 1066871739 /nfs/dbraw/zinc/87/17/39/1066871739.db2.gz NRMXFYKFYZGOOL-UHFFFAOYSA-N -1 1 454.935 4.714 20 30 JJEDMM O=C([N-][C@H](CO)c1ccccc1OC(F)(F)F)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001448941579 1066972340 /nfs/dbraw/zinc/97/23/40/1066972340.db2.gz ULTOCUQPDMGQFB-UJMHRVFCSA-N -1 1 455.301 4.903 20 30 JJEDMM C=CCC(C)(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001450200628 1067059824 /nfs/dbraw/zinc/05/98/24/1067059824.db2.gz VASMLVQQAOPTEC-UHFFFAOYSA-N -1 1 451.386 4.582 20 30 JJEDMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@]3(C#N)CC3(C)C)cc2)c1C ZINC001450541310 1067088548 /nfs/dbraw/zinc/08/85/48/1067088548.db2.gz MWEOSUXZRNDLDR-RUZDIDTESA-N -1 1 453.608 4.824 20 30 JJEDMM C=CCCSCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001452989588 1067271082 /nfs/dbraw/zinc/27/10/82/1067271082.db2.gz SLGGPIDCLMSOIR-UHFFFAOYSA-N -1 1 459.420 4.833 20 30 JJEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCCC2)cc1Br ZINC001462958338 1068229544 /nfs/dbraw/zinc/22/95/44/1068229544.db2.gz FBLXUFNGEQWAGD-LJQANCHMSA-N -1 1 455.324 4.809 20 30 JJEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(I)ccc3[O-])cc2)cc1 ZINC001464554631 1068780133 /nfs/dbraw/zinc/78/01/33/1068780133.db2.gz PPZCFJFSKWNBSA-UHFFFAOYSA-N -1 1 456.239 4.913 20 30 JJEDMM COCCCOCCC(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001435647858 1064906072 /nfs/dbraw/zinc/90/60/72/1064906072.db2.gz MJDLSFYXJAPINF-AWEZNQCLSA-N -1 1 455.317 4.887 20 30 JJEDMM C=CCN(CCc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC001442758358 1066157532 /nfs/dbraw/zinc/15/75/32/1066157532.db2.gz UCDVWULYFCOXII-UHFFFAOYSA-N -1 1 452.551 4.806 20 30 JJEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC001443366677 1066302407 /nfs/dbraw/zinc/30/24/07/1066302407.db2.gz WGCAYENTHJUTJY-FQEVSTJZSA-N -1 1 457.914 4.583 20 30 JJEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(I)ccc3[O-])cc2)c1 ZINC001443774206 1066366018 /nfs/dbraw/zinc/36/60/18/1066366018.db2.gz SDBHESRHUXWWPI-UHFFFAOYSA-N -1 1 456.239 4.913 20 30 JJEDMM N#CC1(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)c2)CCCC1 ZINC001452772991 1067250789 /nfs/dbraw/zinc/25/07/89/1067250789.db2.gz MGMNRMRAVXNAAO-UHFFFAOYSA-N -1 1 459.571 4.968 20 30 JJEDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1 ZINC001463331962 1068359251 /nfs/dbraw/zinc/35/92/51/1068359251.db2.gz VSBXFJBDKWIVIF-CQSZACIVSA-N -1 1 452.561 4.733 20 30 JJEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)cc2)c(C)c1C ZINC001454651253 1066314759 /nfs/dbraw/zinc/31/47/59/1066314759.db2.gz JGWLOTQNZXYRIZ-GGAORHGYSA-N -1 1 453.608 4.794 20 30 JJEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)c3cccc(C#N)c3)c2)c1 ZINC001455782264 1066431002 /nfs/dbraw/zinc/43/10/02/1066431002.db2.gz SMJJGFKSHVNQOZ-INIZCTEOSA-N -1 1 453.951 4.812 20 30 JJEDMM N#CCC[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC001446493339 1066710848 /nfs/dbraw/zinc/71/08/48/1066710848.db2.gz MKVLJYOLORYXTQ-JOCHJYFZSA-N -1 1 455.486 4.540 20 30 JJEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(C#N)c(Cl)c3)c2)c1 ZINC001448371713 1066920753 /nfs/dbraw/zinc/92/07/53/1066920753.db2.gz NJNYJOBAGDLBBT-UHFFFAOYSA-N -1 1 453.951 4.559 20 30 JJEDMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N(O)Cc1cccc2ccccc21 ZINC001458015522 1066957346 /nfs/dbraw/zinc/95/73/46/1066957346.db2.gz FHTGCZKHANFEJG-UHFFFAOYSA-N -1 1 450.491 4.811 20 30 JJEDMM N#CCc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC001449723989 1067023196 /nfs/dbraw/zinc/02/31/96/1067023196.db2.gz DOLIXGQBAMZROY-UHFFFAOYSA-N -1 1 459.449 4.825 20 30 JJEDMM C=CCC[C@@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(C(F)(F)F)cc1 ZINC001546025391 1067109534 /nfs/dbraw/zinc/10/95/34/1067109534.db2.gz ITOAIJXLOPKFAN-HXUWFJFHSA-N -1 1 456.468 4.938 20 30 JJEDMM C=CCC[C@H](NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)c1ccc(C(F)(F)F)cc1 ZINC001546025390 1067109565 /nfs/dbraw/zinc/10/95/65/1067109565.db2.gz ITOAIJXLOPKFAN-FQEVSTJZSA-N -1 1 456.468 4.938 20 30 JJEDMM C#C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1)c1ccc(Cl)cc1 ZINC001450853535 1067132383 /nfs/dbraw/zinc/13/23/83/1067132383.db2.gz WHRGAEZEOILJRO-QFIPXVFZSA-N -1 1 452.963 4.862 20 30 JJEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2F)C2CCCC2)cc1Br ZINC001463290317 1068346522 /nfs/dbraw/zinc/34/65/22/1068346522.db2.gz YYPGURUNBYTDKQ-LJQANCHMSA-N -1 1 455.324 4.809 20 30 JJEDMM C=CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC001463918567 1068565489 /nfs/dbraw/zinc/56/54/89/1068565489.db2.gz YVTAOVLFAHPQRS-UHFFFAOYSA-N -1 1 452.532 4.552 20 30 JJEDMM Cc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001464188426 1068648391 /nfs/dbraw/zinc/64/83/91/1068648391.db2.gz JTHGNNDSYCJZKS-UHFFFAOYSA-N -1 1 458.499 4.575 20 30 JJEDMM COCCCOCCC(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001435647859 1064906046 /nfs/dbraw/zinc/90/60/46/1064906046.db2.gz MJDLSFYXJAPINF-CQSZACIVSA-N -1 1 455.317 4.887 20 30 JJEDMM N#CCC[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)c1ccccc1 ZINC001446493343 1066710834 /nfs/dbraw/zinc/71/08/34/1066710834.db2.gz MKVLJYOLORYXTQ-QFIPXVFZSA-N -1 1 455.486 4.540 20 30 JJEDMM N#CCC1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001447584331 1066825965 /nfs/dbraw/zinc/82/59/65/1066825965.db2.gz NEJMXDGZXSZBKJ-UHFFFAOYSA-N -1 1 452.363 4.560 20 30 JJEDMM N#CCc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC001449722527 1067023365 /nfs/dbraw/zinc/02/33/65/1067023365.db2.gz AUBXDKGMWVVCHB-UHFFFAOYSA-N -1 1 459.449 4.825 20 30 JJEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)ccc2C)c1 ZINC001451655730 1067183764 /nfs/dbraw/zinc/18/37/64/1067183764.db2.gz UMGDEMMDFQCXRJ-XMMPIXPASA-N -1 1 459.571 4.783 20 30 JJEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](CC#N)C3)ccc2C)cc1 ZINC001453288881 1067294561 /nfs/dbraw/zinc/29/45/61/1067294561.db2.gz PVKYSKOSUWICLG-NRFANRHFSA-N -1 1 453.608 4.904 20 30 JJEDMM N#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)C1 ZINC001453302481 1067295818 /nfs/dbraw/zinc/29/58/18/1067295818.db2.gz FPYXELVWNKNZOR-CQSZACIVSA-N -1 1 452.363 4.560 20 30 JJEDMM C#Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC001463625413 1068472211 /nfs/dbraw/zinc/47/22/11/1068472211.db2.gz KJMDBNVEHSKNSG-UHFFFAOYSA-N -1 1 458.461 4.669 20 30 JJEDMM C=CCN(Cc1ccccc1F)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC001464393462 1068729718 /nfs/dbraw/zinc/72/97/18/1068729718.db2.gz YDXJPNMPNHAERI-UHFFFAOYSA-N -1 1 456.514 4.902 20 30 JJEDMM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2n[nH]cc2C1 ZINC001546069885 1066369336 /nfs/dbraw/zinc/36/93/36/1066369336.db2.gz YEPJJRZVOSCEBN-RMLUDKJBSA-N -1 1 459.312 4.972 20 30 JJEDMM N#CCC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1 ZINC001545976130 1066580808 /nfs/dbraw/zinc/58/08/08/1066580808.db2.gz HCMVDTPMWLNFMU-QFIPXVFZSA-N -1 1 453.951 4.916 20 30 JJEDMM N#CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1 ZINC001545976129 1066580867 /nfs/dbraw/zinc/58/08/67/1066580867.db2.gz HCMVDTPMWLNFMU-JOCHJYFZSA-N -1 1 453.951 4.916 20 30 JJEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3(C#N)CCC3)c2)cc1Cl ZINC001451666106 1067184522 /nfs/dbraw/zinc/18/45/22/1067184522.db2.gz PVUFVHJSPNOWQR-UHFFFAOYSA-N -1 1 452.363 4.526 20 30 JJEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC[C@H](CC#N)C3)ccc2C)cc1 ZINC001453288896 1067294352 /nfs/dbraw/zinc/29/43/52/1067294352.db2.gz PVKYSKOSUWICLG-OAQYLSRUSA-N -1 1 453.608 4.904 20 30 JJEDMM CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC001463848401 1068546922 /nfs/dbraw/zinc/54/69/22/1068546922.db2.gz RGNHODDVXNEQKA-HXUWFJFHSA-N -1 1 453.536 4.989 20 30 JJEDMM CC(C)(C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc(C#N)cc1 ZINC001464165384 1068640293 /nfs/dbraw/zinc/64/02/93/1068640293.db2.gz QREZFWQBAWTURV-UHFFFAOYSA-N -1 1 455.486 4.554 20 30 JJEDMM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001464187491 1068648341 /nfs/dbraw/zinc/64/83/41/1068648341.db2.gz HTCCNZRNRMZXGT-UHFFFAOYSA-N -1 1 452.532 4.622 20 30 JJEDMM C=C(C)[C@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)OCC ZINC001440524424 1065947779 /nfs/dbraw/zinc/94/77/79/1065947779.db2.gz YGIIYOJKBVLBNI-IBGZPJMESA-N -1 1 456.486 4.816 20 30 JJEDMM CC(C)(C#N)c1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC001441391317 1066036968 /nfs/dbraw/zinc/03/69/68/1066036968.db2.gz RZWGQHUMJCXONM-UHFFFAOYSA-N -1 1 455.486 4.819 20 30 JJEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3cc(I)ccc3[O-])c2)cc1 ZINC001443686034 1066350564 /nfs/dbraw/zinc/35/05/64/1066350564.db2.gz HFYVXSQUTPLSSX-UHFFFAOYSA-N -1 1 456.239 4.913 20 30 JJEDMM N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001455442137 1066390897 /nfs/dbraw/zinc/39/08/97/1066390897.db2.gz UHSZBPDYVRHGMZ-UHFFFAOYSA-N -1 1 451.935 4.578 20 30 JJEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)cc2)c1C ZINC001446759370 1066737020 /nfs/dbraw/zinc/73/70/20/1066737020.db2.gz SRKLZSNPQUMWKH-UHFFFAOYSA-N -1 1 459.571 4.781 20 30 JJEDMM C=CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC001449225047 1066990924 /nfs/dbraw/zinc/99/09/24/1066990924.db2.gz NTOXDZUHZWXJIE-UHFFFAOYSA-N -1 1 450.560 4.599 20 30 JJEDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3sc4ccc(C#N)cc4c3C)n2)cc1 ZINC001463331961 1068359273 /nfs/dbraw/zinc/35/92/73/1068359273.db2.gz VSBXFJBDKWIVIF-AWEZNQCLSA-N -1 1 452.561 4.733 20 30 JJEDMM C=CCCC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC001453971580 1066227890 /nfs/dbraw/zinc/22/78/90/1066227890.db2.gz XOBHXQAHONRGBQ-UHFFFAOYSA-N -1 1 451.386 4.725 20 30 JJEDMM CON1CCC(C(=O)[N-][C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC001446642559 1066728312 /nfs/dbraw/zinc/72/83/12/1066728312.db2.gz KALPHTBGWJGLBA-ZDUSSCGKSA-N -1 1 452.317 4.717 20 30 JJEDMM C[C@H](C#N)CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1)C1CC1 ZINC001447070230 1066771401 /nfs/dbraw/zinc/77/14/01/1066771401.db2.gz MIVLDDPSRNLETL-LJQANCHMSA-N -1 1 459.571 4.919 20 30 JJEDMM Cc1c(C#N)cccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001463622781 1068470015 /nfs/dbraw/zinc/47/00/15/1068470015.db2.gz DFVPXSUDHVVABU-UHFFFAOYSA-N -1 1 459.449 4.939 20 30 JJEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2(Cc3ccc(Cl)cc3)CCC2)cc1Br ZINC001463791141 1068525326 /nfs/dbraw/zinc/52/53/26/1068525326.db2.gz YNRGVJRUANRIAP-UHFFFAOYSA-N -1 1 457.752 4.557 20 30 JJEDMM