smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nc(=O)c1Cc1ccccc1 ZINC000009731914 194931299 /nfs/dbraw/zinc/93/12/99/194931299.db2.gz DDWVUIFWXADSCI-FQEVSTJZSA-N -1 3 485.996 6.157 40 0 JKABHM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc21 ZINC000020766457 195221605 /nfs/dbraw/zinc/22/16/05/195221605.db2.gz RNPCVWIENYGBJY-UHFFFAOYSA-N -1 3 495.815 6.041 40 0 JKABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000020766780 195222018 /nfs/dbraw/zinc/22/20/18/195222018.db2.gz YSHACAGWTNLAFW-UHFFFAOYSA-N -1 3 452.551 5.343 40 0 JKABHM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc21 ZINC000020766827 195222224 /nfs/dbraw/zinc/22/22/24/195222224.db2.gz AQMXMVBJUJQMEI-UHFFFAOYSA-N -1 3 479.360 5.526 40 0 JKABHM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc21 ZINC000020767166 195222492 /nfs/dbraw/zinc/22/24/92/195222492.db2.gz CRHAJLXCRCCXPX-UHFFFAOYSA-N -1 3 461.370 5.387 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767341 195222894 /nfs/dbraw/zinc/22/28/94/195222894.db2.gz ZINMHSBODPQHEU-UHFFFAOYSA-N -1 3 483.033 6.076 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)cc2)cc1 ZINC000059133023 195389657 /nfs/dbraw/zinc/38/96/57/195389657.db2.gz FXYADJPOTSCKGN-NHFJDJAPSA-N -1 3 468.578 5.975 40 0 JKABHM O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000059294069 195396618 /nfs/dbraw/zinc/39/66/18/195396618.db2.gz PMNLZIGPQUYYQV-NTCAYCPXSA-N -1 3 481.533 5.987 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccco1 ZINC000224863403 195469643 /nfs/dbraw/zinc/46/96/43/195469643.db2.gz CRVBMPLYWLORDM-ZEQRLZLVSA-N -1 3 479.005 5.677 40 0 JKABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102912255 130387559 /nfs/dbraw/zinc/38/75/59/130387559.db2.gz YCKZIYVRIPZFNG-XPWALMASSA-N -1 3 499.350 5.062 40 0 JKABHM CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)c2)cc1 ZINC000044899965 519024347 /nfs/dbraw/zinc/02/43/47/519024347.db2.gz MLKAFCXSNNIPIM-UHFFFAOYSA-N -1 3 485.005 5.492 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536973 521133958 /nfs/dbraw/zinc/13/39/58/521133958.db2.gz IKXQNIRMXHWQTC-OAQYLSRUSA-N -1 3 496.629 5.068 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536969 521134058 /nfs/dbraw/zinc/13/40/58/521134058.db2.gz IKXQNIRMXHWQTC-NRFANRHFSA-N -1 3 496.629 5.068 40 0 JKABHM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030758919 521255964 /nfs/dbraw/zinc/25/59/64/521255964.db2.gz LLHIQWHVSBLZNN-INIZCTEOSA-N -1 3 458.967 5.031 40 0 JKABHM CCCCc1ccc(-n2nc3cc(Cl)c([N-]C(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 ZINC000022754202 521266329 /nfs/dbraw/zinc/26/63/29/521266329.db2.gz RJZSNKFUBKOIBY-UHFFFAOYSA-N -1 3 494.851 6.364 40 0 JKABHM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1C ZINC000020450759 521543433 /nfs/dbraw/zinc/54/34/33/521543433.db2.gz QSBQPSGFXMGMTN-UHFFFAOYSA-N -1 3 486.977 5.187 40 0 JKABHM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(C)cc1 ZINC000038753098 522786814 /nfs/dbraw/zinc/78/68/14/522786814.db2.gz LOONWQKEZHTJCG-JOCHJYFZSA-N -1 3 456.995 5.639 40 0 JKABHM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020484702 522871101 /nfs/dbraw/zinc/87/11/01/522871101.db2.gz BVHUVCPPZMUUJA-QHCPKHFHSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000022523340 522882428 /nfs/dbraw/zinc/88/24/28/522882428.db2.gz QPACWBHXPWWLEX-QFIPXVFZSA-N -1 3 458.967 5.245 40 0 JKABHM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000022518433 522883375 /nfs/dbraw/zinc/88/33/75/522883375.db2.gz JGSRSTBUORBVCZ-QHCPKHFHSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020462600 522884370 /nfs/dbraw/zinc/88/43/70/522884370.db2.gz IOQAGTQPAXAKLK-QHCPKHFHSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020462659 522896340 /nfs/dbraw/zinc/89/63/40/522896340.db2.gz HFJXPBILALWGTN-NRFANRHFSA-N -1 3 458.967 5.245 40 0 JKABHM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000022510670 523040230 /nfs/dbraw/zinc/04/02/30/523040230.db2.gz OKNPPPPWWISYDU-XMMPIXPASA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000022523334 523048968 /nfs/dbraw/zinc/04/89/68/523048968.db2.gz QPACWBHXPWWLEX-JOCHJYFZSA-N -1 3 458.967 5.245 40 0 JKABHM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020462598 523052357 /nfs/dbraw/zinc/05/23/57/523052357.db2.gz IOQAGTQPAXAKLK-HSZRJFAPSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1[N-]S(C)(=O)=O ZINC000020456993 524176849 /nfs/dbraw/zinc/17/68/49/524176849.db2.gz RYALKXCOBDGMPA-UHFFFAOYSA-N -1 3 479.602 5.169 40 0 JKABHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1C ZINC000022525912 524780135 /nfs/dbraw/zinc/78/01/35/524780135.db2.gz GQJGISVBCLLOLQ-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000020452245 525114074 /nfs/dbraw/zinc/11/40/74/525114074.db2.gz KOCYVUSXFZOHJI-GOSISDBHSA-N -1 3 470.616 5.232 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022567169 525262010 /nfs/dbraw/zinc/26/20/10/525262010.db2.gz JPPWCYKZINWHIU-UHFFFAOYSA-N -1 3 459.571 5.933 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1C ZINC000022536862 525300852 /nfs/dbraw/zinc/30/08/52/525300852.db2.gz USCNPWKHSHQRTA-JOCHJYFZSA-N -1 3 480.630 5.286 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)cc1C ZINC000044885398 525301558 /nfs/dbraw/zinc/30/15/58/525301558.db2.gz NIGQOYBVXMOBCZ-FQEVSTJZSA-N -1 3 466.603 5.634 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)cc2)c(C)c1 ZINC000044947199 525301676 /nfs/dbraw/zinc/30/16/76/525301676.db2.gz QPYTVBLTJVQPOY-NRFANRHFSA-N -1 3 466.603 5.436 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)cc1C ZINC000044901601 525301875 /nfs/dbraw/zinc/30/18/75/525301875.db2.gz HGNUQDPMMWJXFJ-UHFFFAOYSA-N -1 3 458.580 5.115 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)c(C)c2)cc1C ZINC000022537399 525302522 /nfs/dbraw/zinc/30/25/22/525302522.db2.gz JWJXRRJBVDBMHI-QHCPKHFHSA-N -1 3 494.657 5.594 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)c(C)c2)cc1 ZINC000022537197 525302615 /nfs/dbraw/zinc/30/26/15/525302615.db2.gz OOBJGSRYHDIRTM-QFIPXVFZSA-N -1 3 480.630 5.286 40 0 JKABHM Cc1ccccc1[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000044886299 525372621 /nfs/dbraw/zinc/37/26/21/525372621.db2.gz QURKTSUFXOBYNI-SANMLTNESA-N -1 3 491.012 5.969 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccccc3Cl)cc2Cl)cc1 ZINC000020460560 525601006 /nfs/dbraw/zinc/60/10/06/525601006.db2.gz NQVPPYHZXGLLOR-UHFFFAOYSA-N -1 3 477.413 5.465 40 0 JKABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009291129 526141284 /nfs/dbraw/zinc/14/12/84/526141284.db2.gz XXABJDWWKJLUQA-FSSWDIPSSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1ccc2nc(-c3ccc(Cl)c([N-]C(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2c1 ZINC000022534559 526241648 /nfs/dbraw/zinc/24/16/48/526241648.db2.gz QLRMVYBNRHWCQK-UHFFFAOYSA-N -1 3 452.766 6.404 40 0 JKABHM O=C(NCCSCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044949941 526371734 /nfs/dbraw/zinc/37/17/34/526371734.db2.gz SYYAXJVBIQIGSM-UHFFFAOYSA-N -1 3 495.453 5.457 40 0 JKABHM O=C(CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3)Nc1ccc(Cl)cc1C(F)(F)F ZINC000008640510 527066467 /nfs/dbraw/zinc/06/64/67/527066467.db2.gz HGLGOVHCVHFBNJ-UHFFFAOYSA-N -1 3 473.929 5.266 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000006142151 527118499 /nfs/dbraw/zinc/11/84/99/527118499.db2.gz LFKSTPLPVXVNTB-HBMCJLEFSA-N -1 3 473.743 5.698 40 0 JKABHM O=C(Nc1ccc2nc(-c3cc(NC(=O)C4CCCCC4)ccc3[O-])sc2c1)C1CCCCC1 ZINC000020494074 527298919 /nfs/dbraw/zinc/29/89/19/527298919.db2.gz SDCUQUSRBZHIHG-UHFFFAOYSA-N -1 3 477.630 6.707 40 0 JKABHM O=C(NC(c1ccccc1)c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044886495 527466730 /nfs/dbraw/zinc/46/67/30/527466730.db2.gz DWGFGUFXYFRRJF-UHFFFAOYSA-N -1 3 476.985 5.660 40 0 JKABHM Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CCc2ccccc2)c1 ZINC000000650887 553732119 /nfs/dbraw/zinc/73/21/19/553732119.db2.gz IBBGDBAWZIAHGW-UHFFFAOYSA-N -1 3 458.587 5.241 40 0 JKABHM CSc1ccccc1[N-]C(=O)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000848526 553797249 /nfs/dbraw/zinc/79/72/49/553797249.db2.gz DXOCBKCJNJSMEW-UHFFFAOYSA-N -1 3 452.845 5.636 40 0 JKABHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000897405 553832701 /nfs/dbraw/zinc/83/27/01/553832701.db2.gz WTGQWIOXZOJKQV-UHFFFAOYSA-N -1 3 467.959 6.017 40 0 JKABHM C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1Cc1ccco1 ZINC000000896854 553832796 /nfs/dbraw/zinc/83/27/96/553832796.db2.gz YNVQCYSJZNCGFQ-SFHVURJKSA-N -1 3 496.592 5.515 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1OC ZINC000000915837 553846116 /nfs/dbraw/zinc/84/61/16/553846116.db2.gz HRRGBCOLMBRSHB-UHFFFAOYSA-N -1 3 496.976 5.041 40 0 JKABHM COc1ccccc1-n1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1[O-] ZINC000000915833 553846165 /nfs/dbraw/zinc/84/61/65/553846165.db2.gz IOMNCCWZSRMIGU-UHFFFAOYSA-N -1 3 474.586 5.305 40 0 JKABHM O=C(Nc1ccc(Br)cc1)C1(N(Cc2ccco2)C(=O)c2ccccc2[O-])CCCCC1 ZINC000001088393 553905905 /nfs/dbraw/zinc/90/59/05/553905905.db2.gz JOUGTWLXFJFNQA-UHFFFAOYSA-N -1 3 497.389 5.732 40 0 JKABHM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CCc2ccccc2)cc1C ZINC000001223716 553935110 /nfs/dbraw/zinc/93/51/10/553935110.db2.gz LLTCCIVEARVFBR-UHFFFAOYSA-N -1 3 458.587 5.241 40 0 JKABHM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CCc2ccccc2)c(C)c1 ZINC000001223712 553935127 /nfs/dbraw/zinc/93/51/27/553935127.db2.gz QCSSRBABBBWERM-UHFFFAOYSA-N -1 3 458.587 5.241 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccc(C)cc1 ZINC000001223767 553935177 /nfs/dbraw/zinc/93/51/77/553935177.db2.gz VJFKICMXEVQANJ-UHFFFAOYSA-N -1 3 480.977 5.341 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C(C)C)ccc4o3)c2)c(C)c1 ZINC000001862899 553998028 /nfs/dbraw/zinc/99/80/28/553998028.db2.gz FFDQKTCICTYDKL-UHFFFAOYSA-N -1 3 459.571 6.067 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000002452312 554219143 /nfs/dbraw/zinc/21/91/43/554219143.db2.gz MBIOULGFXPJTOP-SDHSZQHLSA-N -1 3 474.582 5.248 40 0 JKABHM CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c1 ZINC000005948402 554497922 /nfs/dbraw/zinc/49/79/22/554497922.db2.gz KQLMZVWRDIMXTH-UHFFFAOYSA-N -1 3 491.569 5.433 40 0 JKABHM CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000005949353 554498259 /nfs/dbraw/zinc/49/82/59/554498259.db2.gz BLETYTNNHDOGSP-UHFFFAOYSA-N -1 3 481.961 5.688 40 0 JKABHM CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1-c1ccccc1 ZINC000006135405 554507294 /nfs/dbraw/zinc/50/72/94/554507294.db2.gz XEHCJFJOYXOROX-UHFFFAOYSA-N -1 3 494.620 6.395 40 0 JKABHM O=C(c1ccccc1)[C@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000008742939 554645610 /nfs/dbraw/zinc/64/56/10/554645610.db2.gz RZUGCPXSWKNNQI-ACXCVDCASA-N -1 3 486.527 5.136 40 0 JKABHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=S)[N-]CCNc1cccc2ccccc21 ZINC000008781444 554678410 /nfs/dbraw/zinc/67/84/10/554678410.db2.gz CUQHRRLZWZVQLJ-UHFFFAOYSA-N -1 3 485.453 5.845 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1F)c1ccccc1Cl ZINC000008810387 554690217 /nfs/dbraw/zinc/69/02/17/554690217.db2.gz XRGZMGUKOPOSFV-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM COc1c(F)c(F)c(C(=O)[N-]c2cc(-c3nc4ccccc4o3)ccc2Cl)c(F)c1F ZINC000008831927 554724497 /nfs/dbraw/zinc/72/44/97/554724497.db2.gz AGFFOTAGCJNLIQ-UHFFFAOYSA-N -1 3 450.775 5.966 40 0 JKABHM CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)ccc3[O-])nc2c1 ZINC000008832858 554728594 /nfs/dbraw/zinc/72/85/94/554728594.db2.gz JGYXHIFIHLLNRC-UHFFFAOYSA-N -1 3 489.553 5.222 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000008835164 554733521 /nfs/dbraw/zinc/73/35/21/554733521.db2.gz IHQYLFQAFQIHAM-UHFFFAOYSA-N -1 3 475.570 5.670 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000008835161 554733570 /nfs/dbraw/zinc/73/35/70/554733570.db2.gz SZFJOJVOVMUDFX-UHFFFAOYSA-N -1 3 495.629 6.771 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(Cl)ccc4OC)ccc3[O-])nc2c1 ZINC000008835206 554733732 /nfs/dbraw/zinc/73/37/32/554733732.db2.gz XWVDLXZQMMIXGY-UHFFFAOYSA-N -1 3 481.961 5.552 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000009063330 554881053 /nfs/dbraw/zinc/88/10/53/554881053.db2.gz ZHRJRBFHPVJDEF-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3[O-])nc2c1 ZINC000009064915 554884366 /nfs/dbraw/zinc/88/43/66/554884366.db2.gz KDPGIDNEIOGVSB-UHFFFAOYSA-N -1 3 451.935 5.543 40 0 JKABHM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000009064928 554884385 /nfs/dbraw/zinc/88/43/85/554884385.db2.gz AOTSIWAPCADLHZ-UHFFFAOYSA-N -1 3 467.934 5.298 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3[O-])nc2c1 ZINC000009064914 554884411 /nfs/dbraw/zinc/88/44/11/554884411.db2.gz ISMHSCBXTNMUEE-UHFFFAOYSA-N -1 3 451.935 5.543 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)ccc3[O-])oc2c(C)c1 ZINC000009064910 554884452 /nfs/dbraw/zinc/88/44/52/554884452.db2.gz MQMKCUZEKLSVMU-UHFFFAOYSA-N -1 3 465.962 5.526 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c(Cl)c1 ZINC000009064901 554884457 /nfs/dbraw/zinc/88/44/57/554884457.db2.gz NFPUWYRDSDWYCT-UHFFFAOYSA-N -1 3 465.962 5.906 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)c(Cl)c1 ZINC000009064927 554884468 /nfs/dbraw/zinc/88/44/68/554884468.db2.gz FBWLIQFRGNIDPQ-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000009159526 554949066 /nfs/dbraw/zinc/94/90/66/554949066.db2.gz KPTSLMXGOYHPKY-IARZGTGTSA-N -1 3 476.532 5.317 40 0 JKABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c(C)c1 ZINC000009192019 554964526 /nfs/dbraw/zinc/96/45/26/554964526.db2.gz JFEJDPZSSDQMOB-QTJGBDASSA-N -1 3 491.385 5.425 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009209532 554978563 /nfs/dbraw/zinc/97/85/63/554978563.db2.gz PQWOEEQMSCRUAP-NLDZOOGBSA-N -1 3 490.559 5.625 40 0 JKABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000009210380 554980019 /nfs/dbraw/zinc/98/00/19/554980019.db2.gz IXBALEIDQQGARE-VSKRKVRLSA-N -1 3 469.324 5.053 40 0 JKABHM CCOc1cc(C=C2SC(=O)[N-]C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000009323838 555096720 /nfs/dbraw/zinc/09/67/20/555096720.db2.gz CIYCCLUYCOXVCM-CAOOACKPSA-N -1 3 468.756 5.404 40 0 JKABHM C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000009357749 555122476 /nfs/dbraw/zinc/12/24/76/555122476.db2.gz POFJLUIMNQZBLM-LGVFNWMJSA-N -1 3 453.325 5.435 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000009424755 555189345 /nfs/dbraw/zinc/18/93/45/555189345.db2.gz QUZFCEYKBMIPLK-BDTNDASRSA-N -1 3 487.770 6.006 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Cl)c2)cc1 ZINC000009424828 555189651 /nfs/dbraw/zinc/18/96/51/555189651.db2.gz BLEWUOTVXDZSIJ-SMIHKQSGSA-N -1 3 462.933 5.180 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000013511426 555483043 /nfs/dbraw/zinc/48/30/43/555483043.db2.gz IEDYHFDKIHVILF-GSDHBNRESA-N -1 3 456.542 5.307 40 0 JKABHM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000019932567 555549888 /nfs/dbraw/zinc/54/98/88/555549888.db2.gz PHOYOPZLWZPFLC-UHFFFAOYSA-N -1 3 486.977 5.350 40 0 JKABHM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000019933933 555551296 /nfs/dbraw/zinc/55/12/96/555551296.db2.gz BRNHLMGDOQFFJE-DEOSSOPVSA-N -1 3 466.603 5.517 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1C ZINC000020020033 555596284 /nfs/dbraw/zinc/59/62/84/555596284.db2.gz UJEJEGPQJPXMET-UHFFFAOYSA-N -1 3 496.482 5.280 40 0 JKABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000020020007 555596333 /nfs/dbraw/zinc/59/63/33/555596333.db2.gz MCLYOIDMKJOYIG-LJQANCHMSA-N -1 3 484.643 5.082 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)c1 ZINC000020020330 555596965 /nfs/dbraw/zinc/59/69/65/555596965.db2.gz DVKPQJCGZOKXPV-UHFFFAOYSA-N -1 3 496.482 5.280 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1Cl ZINC000020021083 555598081 /nfs/dbraw/zinc/59/80/81/555598081.db2.gz KPPOHDGWUJKILZ-DEOSSOPVSA-N -1 3 485.005 5.022 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020022366 555600028 /nfs/dbraw/zinc/60/00/28/555600028.db2.gz SNEFQGXVUPXMGS-MRXNPFEDSA-N -1 3 493.412 5.359 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)c(C)c2)cc1C ZINC000020022552 555600352 /nfs/dbraw/zinc/60/03/52/555600352.db2.gz BGCUZZSXOLEFFN-LJQANCHMSA-N -1 3 487.021 5.322 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000013749859 555608422 /nfs/dbraw/zinc/60/84/22/555608422.db2.gz XTWMYHIEGIATNO-QKDODKLFSA-N -1 3 484.596 5.824 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013749393 555608532 /nfs/dbraw/zinc/60/85/32/555608532.db2.gz QUZFCEYKBMIPLK-FKBYEOEOSA-N -1 3 487.770 6.006 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000013751899 555609967 /nfs/dbraw/zinc/60/99/67/555609967.db2.gz DRCQQQVMZQACSR-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000020047244 555617589 /nfs/dbraw/zinc/61/75/89/555617589.db2.gz QIRPLOZNIYSHLY-QHCPKHFHSA-N -1 3 456.539 5.039 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1C ZINC000013779012 555617775 /nfs/dbraw/zinc/61/77/75/555617775.db2.gz WQTMRVXPDUQCJJ-VJBWXMMDSA-N -1 3 467.352 5.661 40 0 JKABHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013787095 555619486 /nfs/dbraw/zinc/61/94/86/555619486.db2.gz IXBALEIDQQGARE-FSSWDIPSSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c(C)c1 ZINC000013810953 555626546 /nfs/dbraw/zinc/62/65/46/555626546.db2.gz XIPBWSMXBRJSGS-VJBWXMMDSA-N -1 3 467.352 5.661 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)cc3)cc2Cl)cc1 ZINC000020104710 555637062 /nfs/dbraw/zinc/63/70/62/555637062.db2.gz HHQDBVFALLBGJJ-UHFFFAOYSA-N -1 3 479.783 5.464 40 0 JKABHM CC(C)Oc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020110994 555647558 /nfs/dbraw/zinc/64/75/58/555647558.db2.gz NOKLUWQBDXWQCM-UHFFFAOYSA-N -1 3 487.021 5.291 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020112023 555649356 /nfs/dbraw/zinc/64/93/56/555649356.db2.gz HCFVDZRWLJVKJU-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000014006992 555668575 /nfs/dbraw/zinc/66/85/75/555668575.db2.gz BIVGDVMJVCCMIZ-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(CC)cc3)cc2)cc1 ZINC000010314409 555679721 /nfs/dbraw/zinc/67/97/21/555679721.db2.gz DCLMZAGFVBCIAW-UHFFFAOYSA-N -1 3 452.576 5.020 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)c1 ZINC000010315206 555682008 /nfs/dbraw/zinc/68/20/08/555682008.db2.gz ZCWHHHCOEVDPOM-UHFFFAOYSA-N -1 3 477.630 5.342 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010329780 555687095 /nfs/dbraw/zinc/68/70/95/555687095.db2.gz MAKIFZSNCOXUAV-UHFFFAOYSA-N -1 3 450.604 5.665 40 0 JKABHM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000010333105 555688875 /nfs/dbraw/zinc/68/88/75/555688875.db2.gz IGOCQBJRJMMIBE-UHFFFAOYSA-N -1 3 456.995 5.836 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(F)cccc3Cl)cc2)cc1 ZINC000014153922 555710720 /nfs/dbraw/zinc/71/07/20/555710720.db2.gz MYEXILRRJCWKEW-UHFFFAOYSA-N -1 3 494.997 5.160 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc5ccccc54)ccc3[O-])oc2c1 ZINC000014270267 555761802 /nfs/dbraw/zinc/76/18/02/555761802.db2.gz AMNRNXSMMICJFE-UHFFFAOYSA-N -1 3 453.523 5.789 40 0 JKABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000014270233 555761919 /nfs/dbraw/zinc/76/19/19/555761919.db2.gz SYZYAUQXSYYGFH-JLHYYAGUSA-N -1 3 471.582 6.159 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)ccc3[O-])oc2c1 ZINC000014270239 555761942 /nfs/dbraw/zinc/76/19/42/555761942.db2.gz UKUDVTYNVBOSBX-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3[O-])nc2c1 ZINC000014270307 555762299 /nfs/dbraw/zinc/76/22/99/555762299.db2.gz WDVROGNCWQIBEJ-UHFFFAOYSA-N -1 3 457.511 5.636 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccccc3Cl)cc2)cc1 ZINC000020330647 555775928 /nfs/dbraw/zinc/77/59/28/555775928.db2.gz CSDIMHCZZUPTSU-QFIPXVFZSA-N -1 3 488.993 5.336 40 0 JKABHM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1c([O-])ccc2ccccc21 ZINC000014274545 555777125 /nfs/dbraw/zinc/77/71/25/555777125.db2.gz OLZDHAYRDOLOSD-XYOKQWHBSA-N -1 3 483.376 6.639 40 0 JKABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000014275107 555779281 /nfs/dbraw/zinc/77/92/81/555779281.db2.gz HJJGTAXCYDZRLH-DHZHZOJOSA-N -1 3 480.014 6.157 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)ccc3[O-])oc2c(C)c1 ZINC000014275159 555779766 /nfs/dbraw/zinc/77/97/66/555779766.db2.gz UIVXBMWKPRYRMS-UHFFFAOYSA-N -1 3 493.588 6.611 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(Br)c4)ccc3[O-])oc2c1 ZINC000014275116 555779771 /nfs/dbraw/zinc/77/97/71/555779771.db2.gz SOPIZANCECVPGT-UHFFFAOYSA-N -1 3 482.359 5.398 40 0 JKABHM CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000014275200 555780134 /nfs/dbraw/zinc/78/01/34/555780134.db2.gz VPPVHPLBMLZMJO-UHFFFAOYSA-N -1 3 495.988 6.015 40 0 JKABHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000014396442 555802186 /nfs/dbraw/zinc/80/21/86/555802186.db2.gz VCIUMALJFXUVII-KRWDZBQOSA-N -1 3 487.021 5.844 40 0 JKABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1C ZINC000014397793 555803546 /nfs/dbraw/zinc/80/35/46/555803546.db2.gz OMQGXDFHRPXLOW-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1C ZINC000014398785 555804490 /nfs/dbraw/zinc/80/44/90/555804490.db2.gz AKIBWXJKVRKDGS-UHFFFAOYSA-N -1 3 472.994 5.555 40 0 JKABHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1C ZINC000014399145 555804612 /nfs/dbraw/zinc/80/46/12/555804612.db2.gz ITPMDKNTWCMUFD-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000014400267 555805500 /nfs/dbraw/zinc/80/55/00/555805500.db2.gz OZIIMAINUQIKDE-UHFFFAOYSA-N -1 3 469.994 5.383 40 0 JKABHM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000014400246 555805656 /nfs/dbraw/zinc/80/56/56/555805656.db2.gz GOBYVHYBDMBUHU-CYBMUJFWSA-N -1 3 499.803 5.854 40 0 JKABHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000014400278 555805925 /nfs/dbraw/zinc/80/59/25/555805925.db2.gz DWUOHHAIDSZKQH-HNNXBMFYSA-N -1 3 479.385 5.509 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1 ZINC000014400652 555806242 /nfs/dbraw/zinc/80/62/42/555806242.db2.gz QVWPNYMKSJJMPX-UHFFFAOYSA-N -1 3 488.993 5.337 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014665355 555837092 /nfs/dbraw/zinc/83/70/92/555837092.db2.gz WOCIYZWPTHYCBN-HXUWFJFHSA-N -1 3 480.630 5.808 40 0 JKABHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1CN(CC)CC ZINC000014943897 555841522 /nfs/dbraw/zinc/84/15/22/555841522.db2.gz JKIKSRFGKSSCPM-UHFFFAOYSA-N -1 3 451.405 5.633 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cccc(Cl)c3)cc2)cc1 ZINC000015439062 555909176 /nfs/dbraw/zinc/90/91/76/555909176.db2.gz QRDSMPMFSSWVRZ-UHFFFAOYSA-N -1 3 477.007 5.021 40 0 JKABHM Cc1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022532704 555932383 /nfs/dbraw/zinc/93/23/83/555932383.db2.gz NCQNAFXTBLDYKM-UHFFFAOYSA-N -1 3 451.935 5.218 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022705846 555943243 /nfs/dbraw/zinc/94/32/43/555943243.db2.gz HUOBMNBYIBLFGH-UHFFFAOYSA-N -1 3 469.591 6.257 40 0 JKABHM O=C(Oc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1Cl)c1ccccc1 ZINC000012284760 555949052 /nfs/dbraw/zinc/94/90/52/555949052.db2.gz CGBHCPSQLAPAFD-UHFFFAOYSA-N -1 3 456.734 5.667 40 0 JKABHM Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000022751107 555952451 /nfs/dbraw/zinc/95/24/51/555952451.db2.gz RPTUVNAPRMODQQ-UHFFFAOYSA-N -1 3 492.667 5.704 40 0 JKABHM Cc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2[O-])c1C ZINC000012473847 555982278 /nfs/dbraw/zinc/98/22/78/555982278.db2.gz VCDOGKILVUBGCP-UHFFFAOYSA-N -1 3 464.978 5.641 40 0 JKABHM Cc1cc([O-])c(C(=O)CCCCCCCCC(=O)c2cc(Cl)c(C)cc2O)cc1Cl ZINC000016268055 556131676 /nfs/dbraw/zinc/13/16/76/556131676.db2.gz KRYYGDOEAGOICA-UHFFFAOYSA-N -1 3 451.390 7.208 40 0 JKABHM Cc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000016269611 556131970 /nfs/dbraw/zinc/13/19/70/556131970.db2.gz WGFSAHDTOJMULM-UHFFFAOYSA-N -1 3 463.852 6.209 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)cc1 ZINC000016293468 556134226 /nfs/dbraw/zinc/13/42/26/556134226.db2.gz CEHRMRPVFHAHGE-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Oc3ccccc3)cc2)cc1 ZINC000016293519 556134291 /nfs/dbraw/zinc/13/42/91/556134291.db2.gz JFHCQESUKVGCGC-UHFFFAOYSA-N -1 3 488.565 5.606 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000016293404 556134336 /nfs/dbraw/zinc/13/43/36/556134336.db2.gz MTIJBGYFEIGIGZ-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM O=C(COc1ccc(C2CCCCC2)cc1)[N-]C(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016401272 556138369 /nfs/dbraw/zinc/13/83/69/556138369.db2.gz GTHPYUPIMHHBSP-UHFFFAOYSA-N -1 3 460.024 5.889 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000016479638 556140311 /nfs/dbraw/zinc/14/03/11/556140311.db2.gz CFSCERGWYINWRU-UHFFFAOYSA-N -1 3 486.593 5.095 40 0 JKABHM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000016545513 556143131 /nfs/dbraw/zinc/14/31/31/556143131.db2.gz IXRKVQNHYWDURI-UHFFFAOYSA-N -1 3 474.394 6.103 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026119161 556248279 /nfs/dbraw/zinc/24/82/79/556248279.db2.gz FGESPYQZIVCDKR-UHFFFAOYSA-N -1 3 473.447 5.388 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017824289 556267600 /nfs/dbraw/zinc/26/76/00/556267600.db2.gz LWODHHPUMNDSQK-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018141421 556293107 /nfs/dbraw/zinc/29/31/07/556293107.db2.gz BTIOOIGGHNJAGI-FSSWDIPSSA-N -1 3 450.947 5.113 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2C)cc1 ZINC000018142352 556293209 /nfs/dbraw/zinc/29/32/09/556293209.db2.gz YLBGUIGLMBCHGJ-CYXNTTPDSA-N -1 3 456.542 5.143 40 0 JKABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c(C)c1 ZINC000018188481 556300383 /nfs/dbraw/zinc/30/03/83/556300383.db2.gz JFEJDPZSSDQMOB-NHTMILBNSA-N -1 3 491.385 5.425 40 0 JKABHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc2N1C(=O)c1ccccc1 ZINC000028206947 556317723 /nfs/dbraw/zinc/31/77/23/556317723.db2.gz XTSOOJQLYJQHLX-AWEZNQCLSA-N -1 3 461.370 5.386 40 0 JKABHM O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030754617 556372440 /nfs/dbraw/zinc/37/24/40/556372440.db2.gz XJJBGBKVXHWZJD-UHFFFAOYSA-N -1 3 499.416 5.805 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)c(C)c1 ZINC000030755475 556372922 /nfs/dbraw/zinc/37/29/22/556372922.db2.gz UXRFBTYZLJZXSI-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000030848738 556376556 /nfs/dbraw/zinc/37/65/56/556376556.db2.gz PPRYDEIWBZCFED-DEOSSOPVSA-N -1 3 495.000 6.090 40 0 JKABHM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030854791 556379351 /nfs/dbraw/zinc/37/93/51/556379351.db2.gz YJWHSYJDPHLIRX-JOCHJYFZSA-N -1 3 456.539 5.039 40 0 JKABHM O=C(NCCCc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030857628 556380521 /nfs/dbraw/zinc/38/05/21/556380521.db2.gz OTTWWMPJXVOPPB-UHFFFAOYSA-N -1 3 463.386 5.157 40 0 JKABHM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 ZINC000030857437 556380563 /nfs/dbraw/zinc/38/05/63/556380563.db2.gz ABCZBAXWGRTJPD-NRFANRHFSA-N -1 3 458.967 5.031 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2Cl)cc1 ZINC000030859882 556381308 /nfs/dbraw/zinc/38/13/08/556381308.db2.gz DKLMKZNPLCWMJB-XMMPIXPASA-N -1 3 471.022 5.966 40 0 JKABHM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000030866530 556383446 /nfs/dbraw/zinc/38/34/46/556383446.db2.gz VEVWEVZPWOUJTL-XMMPIXPASA-N -1 3 466.603 5.517 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2Cl)cc1 ZINC000030866317 556383556 /nfs/dbraw/zinc/38/35/56/556383556.db2.gz IAADIGYDEVMIJM-UHFFFAOYSA-N -1 3 453.322 5.494 40 0 JKABHM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000030869972 556384829 /nfs/dbraw/zinc/38/48/29/556384829.db2.gz KBLBUNHJTNBRPJ-HSZRJFAPSA-N -1 3 452.576 5.209 40 0 JKABHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100721 556416517 /nfs/dbraw/zinc/41/65/17/556416517.db2.gz VRQOYENHWQCOOL-XMMPIXPASA-N -1 3 462.512 5.421 40 0 JKABHM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000033400930 569625912 /nfs/dbraw/zinc/62/59/12/569625912.db2.gz LAIYSXQAEXQWBE-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000033516288 569627124 /nfs/dbraw/zinc/62/71/24/569627124.db2.gz PPTNWYCVUBVXES-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(C)c1 ZINC000033560604 569627967 /nfs/dbraw/zinc/62/79/67/569627967.db2.gz UPSKXDVWYBGFON-UHFFFAOYSA-N -1 3 492.519 5.449 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1 ZINC000033684264 569630679 /nfs/dbraw/zinc/63/06/79/569630679.db2.gz FNJIAJMZTNYMOF-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000033858532 569636402 /nfs/dbraw/zinc/63/64/02/569636402.db2.gz XRFZVZZKYHBWBA-UHFFFAOYSA-N -1 3 452.576 5.156 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)N[C@@H](C)c3ccccc3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000034240704 569639801 /nfs/dbraw/zinc/63/98/01/569639801.db2.gz KTGNTWLMBJEIIG-IBGZPJMESA-N -1 3 458.587 5.226 40 0 JKABHM Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000034807820 569661288 /nfs/dbraw/zinc/66/12/88/569661288.db2.gz KREQAOSGAXEBHO-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)c1 ZINC000035105322 569674973 /nfs/dbraw/zinc/67/49/73/569674973.db2.gz XXYAMSKFGLBZPR-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM COc1cc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147367 569675923 /nfs/dbraw/zinc/67/59/23/569675923.db2.gz AASHPBRMAGGILL-XMMPIXPASA-N -1 3 490.357 5.612 40 0 JKABHM COc1cc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147367 569675925 /nfs/dbraw/zinc/67/59/25/569675925.db2.gz AASHPBRMAGGILL-XMMPIXPASA-N -1 3 490.357 5.612 40 0 JKABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)c(C)c1 ZINC000035168753 569677192 /nfs/dbraw/zinc/67/71/92/569677192.db2.gz MEPZBRMWRLYXCC-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM O=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(Cc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000035288790 569679573 /nfs/dbraw/zinc/67/95/73/569679573.db2.gz PUJNZHZKECTQRA-NDEPHWFRSA-N -1 3 479.580 5.383 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000035386526 569686951 /nfs/dbraw/zinc/68/69/51/569686951.db2.gz TXEWROFFHKMWQP-UHFFFAOYSA-N -1 3 466.603 5.464 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc(O)cc1)CC(=O)O3 ZINC000079194036 569707273 /nfs/dbraw/zinc/70/72/73/569707273.db2.gz JXQFZIFQZZUTOS-JENHHNONSA-N -1 3 464.514 5.021 40 0 JKABHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079193659 569707285 /nfs/dbraw/zinc/70/72/85/569707285.db2.gz LGQYJBOHKNIAPF-YXPIPHOMSA-N -1 3 478.541 5.324 40 0 JKABHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079193668 569707296 /nfs/dbraw/zinc/70/72/96/569707296.db2.gz LGQYJBOHKNIAPF-JPSNIWGYSA-N -1 3 478.541 5.324 40 0 JKABHM COc1cccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079196150 569707298 /nfs/dbraw/zinc/70/72/98/569707298.db2.gz HOKYOKFKIBBOLE-XEUOOZGTSA-N -1 3 478.541 5.324 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc(O)cc1)CC(=O)O3 ZINC000079194023 569707331 /nfs/dbraw/zinc/70/73/31/569707331.db2.gz JXQFZIFQZZUTOS-ORHBMKTGSA-N -1 3 464.514 5.021 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000100562478 569764790 /nfs/dbraw/zinc/76/47/90/569764790.db2.gz LFKSTPLPVXVNTB-ACRUOGEOSA-N -1 3 473.743 5.698 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1C ZINC000100893583 569774465 /nfs/dbraw/zinc/77/44/65/569774465.db2.gz VKVKBVQYPQPHFH-ZLNRFVROSA-N -1 3 477.358 5.117 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3[C@]2(CC)CCC(CC)=CO2)cc1 ZINC000101031213 569780131 /nfs/dbraw/zinc/78/01/31/569780131.db2.gz QJZAAVNLNNRBFQ-VZTVMPNDSA-N -1 3 490.600 5.407 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000101038627 569780328 /nfs/dbraw/zinc/78/03/28/569780328.db2.gz IEDYHFDKIHVILF-ZNZIZOMTSA-N -1 3 456.542 5.307 40 0 JKABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101037959 569780350 /nfs/dbraw/zinc/78/03/50/569780350.db2.gz XQOMMHZCPXMMNP-VABKMULXSA-N -1 3 499.350 5.062 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000037021514 569781182 /nfs/dbraw/zinc/78/11/82/569781182.db2.gz CQDBNSQPANSUED-UHFFFAOYSA-N -1 3 484.021 5.379 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000101081966 569781802 /nfs/dbraw/zinc/78/18/02/569781802.db2.gz DARZNMVGTHKPQI-VSKRKVRLSA-N -1 3 453.325 5.353 40 0 JKABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000101096630 569782458 /nfs/dbraw/zinc/78/24/58/569782458.db2.gz PXSBOFFPANTTHJ-VABKMULXSA-N -1 3 467.352 5.607 40 0 JKABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000101108272 569783097 /nfs/dbraw/zinc/78/30/97/569783097.db2.gz IBYZXIMWJRVOOK-FUDKSRODSA-N -1 3 499.350 5.062 40 0 JKABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101126008 569783748 /nfs/dbraw/zinc/78/37/48/569783748.db2.gz YCKZIYVRIPZFNG-VJBWXMMDSA-N -1 3 499.350 5.062 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000101138660 569784256 /nfs/dbraw/zinc/78/42/56/569784256.db2.gz VFGVPJFOWZWFSG-CYXNTTPDSA-N -1 3 454.570 5.652 40 0 JKABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000101173325 569785973 /nfs/dbraw/zinc/78/59/73/569785973.db2.gz IXBALEIDQQGARE-FKBYEOEOSA-N -1 3 469.324 5.053 40 0 JKABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000101176079 569786078 /nfs/dbraw/zinc/78/60/78/569786078.db2.gz GWYMEFLNMYFRLW-SDHSZQHLSA-N -1 3 456.542 5.044 40 0 JKABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000101187953 569786370 /nfs/dbraw/zinc/78/63/70/569786370.db2.gz CICFCRFDQMHNBT-ZRBLBEILSA-N -1 3 498.457 5.035 40 0 JKABHM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)o2)cc1C ZINC000038159853 569799612 /nfs/dbraw/zinc/79/96/12/569799612.db2.gz TZIBBYRQUCMZOX-UHFFFAOYSA-N -1 3 499.617 6.673 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038165271 569799710 /nfs/dbraw/zinc/79/97/10/569799710.db2.gz WTEIVGBJIBQTAW-UHFFFAOYSA-N -1 3 458.587 5.604 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3Cl)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038172582 569799955 /nfs/dbraw/zinc/79/99/55/569799955.db2.gz APAJAEUCCDFFNW-UHFFFAOYSA-N -1 3 499.423 6.294 40 0 JKABHM Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3[O-])nc2c1 ZINC000038188625 569800527 /nfs/dbraw/zinc/80/05/27/569800527.db2.gz PTQGQUQLRKPHQY-UHFFFAOYSA-N -1 3 497.576 6.512 40 0 JKABHM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000038754703 569806798 /nfs/dbraw/zinc/80/67/98/569806798.db2.gz HIKKKXRPRCRGJU-VWLOTQADSA-N -1 3 466.603 5.517 40 0 JKABHM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OCC ZINC000038756356 569807274 /nfs/dbraw/zinc/80/72/74/569807274.db2.gz DNIMPGYKHFUVGV-UHFFFAOYSA-N -1 3 482.602 5.165 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)cc1C ZINC000039762224 569811585 /nfs/dbraw/zinc/81/15/85/569811585.db2.gz MLZFAVHOJRBXBR-UHFFFAOYSA-N -1 3 495.620 5.094 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706949 569816515 /nfs/dbraw/zinc/81/65/15/569816515.db2.gz MSBVFUXMYIKKSU-LSQMVHIFSA-N -1 3 489.358 6.198 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706542 569816661 /nfs/dbraw/zinc/81/66/61/569816661.db2.gz COTZMDSNSBKJSY-SDHOMARFSA-N -1 3 489.358 6.198 40 0 JKABHM CCc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102728233 569817971 /nfs/dbraw/zinc/81/79/71/569817971.db2.gz VQZSFLRIFPUOGK-FUPPJEDESA-N -1 3 467.352 5.607 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000102732318 569818318 /nfs/dbraw/zinc/81/83/18/569818318.db2.gz LODGTGWMDUNYSX-HKBOAZHASA-N -1 3 483.749 5.154 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102736735 569818595 /nfs/dbraw/zinc/81/85/95/569818595.db2.gz XHYRUJWPXZAJNZ-ACRUOGEOSA-N -1 3 457.288 5.184 40 0 JKABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102762909 569822517 /nfs/dbraw/zinc/82/25/17/569822517.db2.gz QELXDQHSKNAKKE-UODIDJSMSA-N -1 3 490.531 5.064 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(C(F)(F)F)c1 ZINC000102765905 569822882 /nfs/dbraw/zinc/82/28/82/569822882.db2.gz IDXWPVHIESARKE-ACRUOGEOSA-N -1 3 472.850 5.410 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102864804 569825695 /nfs/dbraw/zinc/82/56/95/569825695.db2.gz POLMJDIEAXQIPX-BHIFYINESA-N -1 3 484.499 5.478 40 0 JKABHM Cc1nn2c(ncc3c2ccn([N-]C(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397709 569825808 /nfs/dbraw/zinc/82/58/08/569825808.db2.gz UEOVSXJTNZFPII-UHFFFAOYSA-N -1 3 498.757 5.364 40 0 JKABHM COc1cc(Br)c(Br)c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1[O-] ZINC000106681368 569854496 /nfs/dbraw/zinc/85/44/96/569854496.db2.gz AJELQBURLYUMCT-AUWJEWJLSA-N -1 3 499.180 5.162 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000107564850 569856542 /nfs/dbraw/zinc/85/65/42/569856542.db2.gz VESWYQHGEZZUDJ-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000107636670 569856815 /nfs/dbraw/zinc/85/68/15/569856815.db2.gz HUJDRDLMYIPBEK-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000107694833 569857017 /nfs/dbraw/zinc/85/70/17/569857017.db2.gz UAXXTMDBVJBJQV-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)cc1C ZINC000107685552 569857072 /nfs/dbraw/zinc/85/70/72/569857072.db2.gz GCIFIYCVISKSEB-UHFFFAOYSA-N -1 3 460.555 5.275 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1ccc(Cl)cc1Cl ZINC000107704665 569857141 /nfs/dbraw/zinc/85/71/41/569857141.db2.gz JRXBVYQXHFGHNC-UHFFFAOYSA-N -1 3 499.803 5.143 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000107775593 569857341 /nfs/dbraw/zinc/85/73/41/569857341.db2.gz GSCFUMNGASCHDX-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)c1 ZINC000107883331 569857818 /nfs/dbraw/zinc/85/78/18/569857818.db2.gz CUCIMMWDQQVUDH-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1C ZINC000108073571 569858497 /nfs/dbraw/zinc/85/84/97/569858497.db2.gz XTQSDGVMJGSAKN-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000108235922 569859200 /nfs/dbraw/zinc/85/92/00/569859200.db2.gz ZJBNCHNQZCDLOF-UHFFFAOYSA-N -1 3 475.035 5.879 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000108948476 569860029 /nfs/dbraw/zinc/86/00/29/569860029.db2.gz GYMXVZVDZHMVBB-UHFFFAOYSA-N -1 3 485.776 5.465 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000108984099 569860193 /nfs/dbraw/zinc/86/01/93/569860193.db2.gz FXXMFSVDQDQLGE-UHFFFAOYSA-N -1 3 468.575 5.027 40 0 JKABHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000216271416 569878039 /nfs/dbraw/zinc/87/80/39/569878039.db2.gz NOACXYBGILZQKJ-CYBMUJFWSA-N -1 3 499.803 5.854 40 0 JKABHM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000216284171 569878126 /nfs/dbraw/zinc/87/81/26/569878126.db2.gz BWUVYMAMGXYQGM-SANMLTNESA-N -1 3 488.609 6.054 40 0 JKABHM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1OCC ZINC000216330721 569878355 /nfs/dbraw/zinc/87/83/55/569878355.db2.gz WSQMBGMJZLDNDX-UHFFFAOYSA-N -1 3 496.629 5.473 40 0 JKABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000216365747 569878562 /nfs/dbraw/zinc/87/85/62/569878562.db2.gz ZBKUCYUQSDPKJK-CQSZACIVSA-N -1 3 495.384 5.209 40 0 JKABHM O=C(Nc1cccc(Br)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216376315 569878567 /nfs/dbraw/zinc/87/85/67/569878567.db2.gz FICZYPMJNYNUQM-UHFFFAOYSA-N -1 3 465.756 5.156 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2Cl)cc1 ZINC000216376636 569878578 /nfs/dbraw/zinc/87/85/78/569878578.db2.gz FRTLPRAJZKOKCA-UHFFFAOYSA-N -1 3 483.033 5.544 40 0 JKABHM Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000216393713 569878608 /nfs/dbraw/zinc/87/86/08/569878608.db2.gz VUFDZWJVERRZPX-UHFFFAOYSA-N -1 3 461.008 5.565 40 0 JKABHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000216471845 569879031 /nfs/dbraw/zinc/87/90/31/569879031.db2.gz MDNXADYZRRZEQR-QFIPXVFZSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C ZINC000222730856 569889747 /nfs/dbraw/zinc/88/97/47/569889747.db2.gz SXZZYTKKSNLQPS-UHFFFAOYSA-N -1 3 492.519 5.165 40 0 JKABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(C)c(C)c1 ZINC000224263664 569938484 /nfs/dbraw/zinc/93/84/84/569938484.db2.gz HDYTZSPIQUVHKC-QGZVFWFLSA-N -1 3 499.445 5.144 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c5c(cccc53)CC4)cc2Cl)cc1 ZINC000224411415 569943788 /nfs/dbraw/zinc/94/37/88/569943788.db2.gz KXLQJGJVSIVGBW-UHFFFAOYSA-N -1 3 476.985 5.953 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000224594706 569949907 /nfs/dbraw/zinc/94/99/07/569949907.db2.gz OIXGPRUNAIXEBS-PKTZIBPZSA-N -1 3 469.595 5.365 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224596048 569949926 /nfs/dbraw/zinc/94/99/26/569949926.db2.gz QCEQZGYZAKFSNX-XZOQPEGZSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000224594811 569949957 /nfs/dbraw/zinc/94/99/57/569949957.db2.gz OIXGPRUNAIXEBS-DHIUTWEWSA-N -1 3 469.595 5.365 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000224611654 569950693 /nfs/dbraw/zinc/95/06/93/569950693.db2.gz NTKXNVUGAHMPIL-GOTSBHOMSA-N -1 3 480.515 5.774 40 0 JKABHM CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224613475 569950733 /nfs/dbraw/zinc/95/07/33/569950733.db2.gz DZIRCTZOPFXCLL-JWQCQUIFSA-N -1 3 456.571 5.154 40 0 JKABHM Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])ccc1Cl ZINC000224614739 569950814 /nfs/dbraw/zinc/95/08/14/569950814.db2.gz FNGQYTJNGZYFAV-DNQXCXABSA-N -1 3 460.990 5.717 40 0 JKABHM CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224613556 569950844 /nfs/dbraw/zinc/95/08/44/569950844.db2.gz DZIRCTZOPFXCLL-LOSJGSFVSA-N -1 3 456.571 5.154 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000224615283 569950860 /nfs/dbraw/zinc/95/08/60/569950860.db2.gz NLPNBCYOMJRLNG-KAYWLYCHSA-N -1 3 462.578 5.908 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000224615825 569950892 /nfs/dbraw/zinc/95/08/92/569950892.db2.gz VJWJFKOFIBBADL-PKTZIBPZSA-N -1 3 480.014 6.362 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000224618292 569951029 /nfs/dbraw/zinc/95/10/29/569951029.db2.gz ILLLVZRIXLHADV-PKTZIBPZSA-N -1 3 482.392 6.531 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000224618042 569951038 /nfs/dbraw/zinc/95/10/38/569951038.db2.gz KTNVINFGTDWUGF-GOTSBHOMSA-N -1 3 482.392 6.531 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000224618136 569951042 /nfs/dbraw/zinc/95/10/42/569951042.db2.gz KTNVINFGTDWUGF-XZOQPEGZSA-N -1 3 482.392 6.531 40 0 JKABHM Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224622292 569951130 /nfs/dbraw/zinc/95/11/30/569951130.db2.gz MVGWWJRNDBSVKE-IZZNHLLZSA-N -1 3 454.599 5.680 40 0 JKABHM COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224624550 569951290 /nfs/dbraw/zinc/95/12/90/569951290.db2.gz OIFKJERZTUNRHU-RPWUZVMVSA-N -1 3 471.538 5.011 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccncc1 ZINC000224861752 569960563 /nfs/dbraw/zinc/96/05/63/569960563.db2.gz ONGIEWLSKJDTKD-RPBOFIJWSA-N -1 3 490.032 5.479 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224863506 569960688 /nfs/dbraw/zinc/96/06/88/569960688.db2.gz GXNVABJEPWCWOS-PKTZIBPZSA-N -1 3 499.398 6.201 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224863812 569960706 /nfs/dbraw/zinc/96/07/06/569960706.db2.gz OKEYMPXEYHJSOV-GOTSBHOMSA-N -1 3 481.408 6.062 40 0 JKABHM Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224864203 569960726 /nfs/dbraw/zinc/96/07/26/569960726.db2.gz IISQDSYKTWVTJI-RPWUZVMVSA-N -1 3 460.990 5.717 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224863883 569960751 /nfs/dbraw/zinc/96/07/51/569960751.db2.gz OKEYMPXEYHJSOV-XZOQPEGZSA-N -1 3 481.408 6.062 40 0 JKABHM Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])n1-c1cccnc1 ZINC000224864905 569960815 /nfs/dbraw/zinc/96/08/15/569960815.db2.gz FWSZFVHHXKACQD-PKTZIBPZSA-N -1 3 461.978 5.112 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CCCC1 ZINC000224866956 569960835 /nfs/dbraw/zinc/96/08/35/569960835.db2.gz WJLRFKQCISIQNL-BJKOFHAPSA-N -1 3 467.038 6.151 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CCCC1 ZINC000224866878 569960879 /nfs/dbraw/zinc/96/08/79/569960879.db2.gz WJLRFKQCISIQNL-DNQXCXABSA-N -1 3 467.038 6.151 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccccc1 ZINC000224867642 569960910 /nfs/dbraw/zinc/96/09/10/569960910.db2.gz KSOMKKBKTIHBPH-FTJBHMTQSA-N -1 3 489.044 6.084 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000224875979 569961287 /nfs/dbraw/zinc/96/12/87/569961287.db2.gz BOOMJMPIDSMIJL-GOTSBHOMSA-N -1 3 453.011 5.924 40 0 JKABHM CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224876752 569961356 /nfs/dbraw/zinc/96/13/56/569961356.db2.gz QRNZLDSLIPWKOV-LOSJGSFVSA-N -1 3 490.032 5.474 40 0 JKABHM Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224876460 569961377 /nfs/dbraw/zinc/96/13/77/569961377.db2.gz YXSDZSHLAJANOK-ZEQRLZLVSA-N -1 3 460.990 5.717 40 0 JKABHM Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224876634 569961388 /nfs/dbraw/zinc/96/13/88/569961388.db2.gz YHUDZWYVEOOUGN-ZEQRLZLVSA-N -1 3 460.990 5.717 40 0 JKABHM CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224878514 569961471 /nfs/dbraw/zinc/96/14/71/569961471.db2.gz NAZPZOAVBDDTLT-RPBOFIJWSA-N -1 3 491.016 5.807 40 0 JKABHM Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1C ZINC000224879386 569961504 /nfs/dbraw/zinc/96/15/04/569961504.db2.gz MUFOXYZHKPPQTP-JWQCQUIFSA-N -1 3 475.017 6.025 40 0 JKABHM Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1C ZINC000224879424 569961515 /nfs/dbraw/zinc/96/15/15/569961515.db2.gz MUFOXYZHKPPQTP-RPBOFIJWSA-N -1 3 475.017 6.025 40 0 JKABHM Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1C ZINC000224879467 569961523 /nfs/dbraw/zinc/96/15/23/569961523.db2.gz MUFOXYZHKPPQTP-LOSJGSFVSA-N -1 3 475.017 6.025 40 0 JKABHM Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224882900 569961747 /nfs/dbraw/zinc/96/17/47/569961747.db2.gz RQNJUALVQUPYEK-RPWUZVMVSA-N -1 3 496.419 6.840 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000224885126 569961810 /nfs/dbraw/zinc/96/18/10/569961810.db2.gz VZXOWPTWGIHRQN-DHIUTWEWSA-N -1 3 453.011 5.924 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000408594526 569965506 /nfs/dbraw/zinc/96/55/06/569965506.db2.gz SQIPETUUYDOBIK-UHFFFAOYSA-N -1 3 487.311 5.090 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000224973236 569966327 /nfs/dbraw/zinc/96/63/27/569966327.db2.gz HKBVZRURTIPYAM-UHFFFAOYSA-N -1 3 470.594 5.952 40 0 JKABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408596216 569966761 /nfs/dbraw/zinc/96/67/61/569966761.db2.gz TWADWQQXFWDXHS-UHFFFAOYSA-N -1 3 477.007 5.189 40 0 JKABHM CCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408596244 569966773 /nfs/dbraw/zinc/96/67/73/569966773.db2.gz RVUOWCQRBADSDS-NRFANRHFSA-N -1 3 491.440 5.393 40 0 JKABHM Cc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408598306 569968005 /nfs/dbraw/zinc/96/80/05/569968005.db2.gz YZJSQRPPWCCHLR-FQEVSTJZSA-N -1 3 477.413 5.139 40 0 JKABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1OC ZINC000225044786 569971538 /nfs/dbraw/zinc/97/15/38/569971538.db2.gz YBGDWJSGXOLAGT-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1Cl ZINC000408608576 569971882 /nfs/dbraw/zinc/97/18/82/569971882.db2.gz RLJMFUSRUPNVTQ-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000408618364 569976747 /nfs/dbraw/zinc/97/67/47/569976747.db2.gz FXBQQZWHCJRRGA-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc45)o3)cc2)cc1C ZINC000408626289 569980541 /nfs/dbraw/zinc/98/05/41/569980541.db2.gz WBWVDVYXNOOEFS-UHFFFAOYSA-N -1 3 470.550 6.256 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 ZINC000408626772 569980761 /nfs/dbraw/zinc/98/07/61/569980761.db2.gz WUZPTRRGKUWKFS-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000408635651 569985966 /nfs/dbraw/zinc/98/59/66/569985966.db2.gz GQFTVUXUOVSMIA-UHFFFAOYSA-N -1 3 478.492 5.466 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)c(Cl)c2)cc1 ZINC000408635736 569986040 /nfs/dbraw/zinc/98/60/40/569986040.db2.gz IAKIKOOVJSFYBM-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(C)c2)cc1C ZINC000408674559 570009216 /nfs/dbraw/zinc/00/92/16/570009216.db2.gz AJEBLCJPAWRAMV-UHFFFAOYSA-N -1 3 472.994 5.392 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)c(C)c2)cc1C ZINC000408674565 570009277 /nfs/dbraw/zinc/00/92/77/570009277.db2.gz AMTAVYNRASBUKJ-UHFFFAOYSA-N -1 3 474.582 5.583 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c(C)c1 ZINC000408674700 570009372 /nfs/dbraw/zinc/00/93/72/570009372.db2.gz BJPGSKDMTRPVHH-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000408674839 570009493 /nfs/dbraw/zinc/00/94/93/570009493.db2.gz JOAIKEZSNOASKR-UHFFFAOYSA-N -1 3 480.630 5.773 40 0 JKABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1Cl ZINC000408674856 570009604 /nfs/dbraw/zinc/00/96/04/570009604.db2.gz KKKQPTFGCQQGAQ-UHFFFAOYSA-N -1 3 488.993 5.092 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(C)c2)cc1C ZINC000408674913 570009720 /nfs/dbraw/zinc/00/97/20/570009720.db2.gz MIGVDIDXESVDKZ-UHFFFAOYSA-N -1 3 493.412 5.737 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)c(C)c2)cc1C ZINC000408675011 570009833 /nfs/dbraw/zinc/00/98/33/570009833.db2.gz ORJVTEIOPOUWLL-UHFFFAOYSA-N -1 3 472.994 5.392 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000408675137 570010010 /nfs/dbraw/zinc/01/00/10/570010010.db2.gz GSWLQUDGGSLTEP-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(C)c2)cc1 ZINC000408675112 570010030 /nfs/dbraw/zinc/01/00/30/570010030.db2.gz SAIFSRZMLHKPDW-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c1 ZINC000408675326 570010102 /nfs/dbraw/zinc/01/01/02/570010102.db2.gz VTMJBYJZZUEZME-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408675349 570010127 /nfs/dbraw/zinc/01/01/27/570010127.db2.gz HTOVRENKLVIWQU-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)c(C)c2)cc1 ZINC000408675453 570010239 /nfs/dbraw/zinc/01/02/39/570010239.db2.gz ZUAJPCMBDOMQCQ-UHFFFAOYSA-N -1 3 496.629 5.644 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c2)cc1 ZINC000408675385 570010288 /nfs/dbraw/zinc/01/02/88/570010288.db2.gz XGMMSYCOWBNZHR-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000408675819 570010392 /nfs/dbraw/zinc/01/03/92/570010392.db2.gz KUSWJNKDTDBCEF-UHFFFAOYSA-N -1 3 456.539 5.076 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408676472 570010622 /nfs/dbraw/zinc/01/06/22/570010622.db2.gz OHSDEUFUHYTZOS-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(C)c1 ZINC000408677363 570010935 /nfs/dbraw/zinc/01/09/35/570010935.db2.gz CGWODZNKYLDPRV-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408678350 570011216 /nfs/dbraw/zinc/01/12/16/570011216.db2.gz FYUBOULMYUXSJX-OAQYLSRUSA-N -1 3 493.412 5.899 40 0 JKABHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408678244 570011239 /nfs/dbraw/zinc/01/12/39/570011239.db2.gz DMOORWAYRHBMFB-FQEVSTJZSA-N -1 3 497.375 5.729 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000408678651 570011396 /nfs/dbraw/zinc/01/13/96/570011396.db2.gz UJNRREHVUOAOHX-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c(C)c1 ZINC000408680555 570012329 /nfs/dbraw/zinc/01/23/29/570012329.db2.gz NJXCMFMKBSBOBA-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1C ZINC000408681313 570012570 /nfs/dbraw/zinc/01/25/70/570012570.db2.gz RRRKCPRZLNRLQN-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1ccc(C([O-])=C(CC(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408684262 570013456 /nfs/dbraw/zinc/01/34/56/570013456.db2.gz NEDXSXUHVMZIFH-HSZRJFAPSA-N -1 3 485.399 5.364 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693028 570015734 /nfs/dbraw/zinc/01/57/34/570015734.db2.gz BOSPBYIVIBVWFN-UHFFFAOYSA-N -1 3 494.613 5.091 40 0 JKABHM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000225708091 570016329 /nfs/dbraw/zinc/01/63/29/570016329.db2.gz DGFQOAJBYUMZSY-UHFFFAOYSA-N -1 3 450.891 5.117 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000408694195 570016801 /nfs/dbraw/zinc/01/68/01/570016801.db2.gz FHBHPGRPZGCUEK-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)cc2)c(C)c1 ZINC000408695112 570017550 /nfs/dbraw/zinc/01/75/50/570017550.db2.gz PRMRORSHVRRPQT-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408695474 570017835 /nfs/dbraw/zinc/01/78/35/570017835.db2.gz VNGJFCWCLJPFRA-QFIPXVFZSA-N -1 3 493.412 5.899 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000408695673 570018065 /nfs/dbraw/zinc/01/80/65/570018065.db2.gz SWLWXDLLCTXEJJ-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000408695982 570018240 /nfs/dbraw/zinc/01/82/40/570018240.db2.gz XSGIAOJFGLWMQV-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408695994 570018326 /nfs/dbraw/zinc/01/83/26/570018326.db2.gz YFXCYEOSAVEBEB-QHCPKHFHSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408696083 570018373 /nfs/dbraw/zinc/01/83/73/570018373.db2.gz ZVYLIDRTSOWLEH-JOCHJYFZSA-N -1 3 456.539 5.039 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc2n1Cc1ccccc1 ZINC000225743083 570019167 /nfs/dbraw/zinc/01/91/67/570019167.db2.gz SXMOZRGCFVZBEM-UHFFFAOYSA-N -1 3 498.935 5.584 40 0 JKABHM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000408705774 570024880 /nfs/dbraw/zinc/02/48/80/570024880.db2.gz NDOZODKKRUAXJT-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1C ZINC000408706303 570025079 /nfs/dbraw/zinc/02/50/79/570025079.db2.gz ZMRARXRPJFKIOR-IBGZPJMESA-N -1 3 487.021 5.780 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1C ZINC000408706304 570025123 /nfs/dbraw/zinc/02/51/23/570025123.db2.gz ZMRARXRPJFKIOR-LJQANCHMSA-N -1 3 487.021 5.780 40 0 JKABHM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408706328 570025132 /nfs/dbraw/zinc/02/51/32/570025132.db2.gz AXFYTXBUSZJJAU-UHFFFAOYSA-N -1 3 479.385 5.592 40 0 JKABHM Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)c2)cs1 ZINC000226083636 570036699 /nfs/dbraw/zinc/03/66/99/570036699.db2.gz IQGULIRWBOYKIN-UHFFFAOYSA-N -1 3 493.610 5.245 40 0 JKABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)CCCN4C(=O)c3cccc(Cl)c3)c2)n1 ZINC000226091768 570037186 /nfs/dbraw/zinc/03/71/86/570037186.db2.gz BFYSQRXKCSXCQP-UHFFFAOYSA-N -1 3 498.970 5.244 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc(Br)c1[O-] ZINC000226243829 570037254 /nfs/dbraw/zinc/03/72/54/570037254.db2.gz YMUWDMIVOZEYAW-UHFFFAOYSA-N -1 3 478.593 5.006 40 0 JKABHM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Br)ccc2[O-])SC1Nc1ccccc1 ZINC000408805440 570047184 /nfs/dbraw/zinc/04/71/84/570047184.db2.gz KBKHUEJDQVJQGU-GUHZEUAUSA-N -1 3 472.428 6.209 40 0 JKABHM O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1[O-] ZINC000408842959 570054017 /nfs/dbraw/zinc/05/40/17/570054017.db2.gz KUKNNUHDZPBMIB-WUXMJOGZSA-N -1 3 469.143 6.021 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1C ZINC000408906603 570070943 /nfs/dbraw/zinc/07/09/43/570070943.db2.gz IGCKNDDVVUYEFO-UHFFFAOYSA-N -1 3 461.008 5.488 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000408907464 570071305 /nfs/dbraw/zinc/07/13/05/570071305.db2.gz ORQKRTCBOGIKLD-LFYBBSHMSA-N -1 3 475.397 6.063 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408908193 570071433 /nfs/dbraw/zinc/07/14/33/570071433.db2.gz VAHXVOJUEUJJNU-QLKAYGNNSA-N -1 3 477.369 5.455 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)c(C)c1 ZINC000408920571 570076936 /nfs/dbraw/zinc/07/69/36/570076936.db2.gz IXDLNZKBQAATIT-LJQANCHMSA-N -1 3 454.617 5.365 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)c(C)c1 ZINC000408920470 570076943 /nfs/dbraw/zinc/07/69/43/570076943.db2.gz IXDLNZKBQAATIT-IBGZPJMESA-N -1 3 454.617 5.365 40 0 JKABHM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408924372 570078168 /nfs/dbraw/zinc/07/81/68/570078168.db2.gz HPAUCSOQGQPMKV-UHFFFAOYSA-N -1 3 464.971 5.401 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000408925783 570078420 /nfs/dbraw/zinc/07/84/20/570078420.db2.gz PUTNSSRICLXSEK-NTUHNPAUSA-N -1 3 475.397 6.063 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000408957041 570085173 /nfs/dbraw/zinc/08/51/73/570085173.db2.gz SDGDJHNJXYYJDB-OFVILXPXSA-N -1 3 474.523 5.421 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000408957043 570085186 /nfs/dbraw/zinc/08/51/86/570085186.db2.gz SDGDJHNJXYYJDB-PXDATVDWSA-N -1 3 474.523 5.421 40 0 JKABHM O=C1[N-][C@H](c2cccc(OCc3ccccc3Cl)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000408974579 570089478 /nfs/dbraw/zinc/08/94/78/570089478.db2.gz BOGNNKQMWPYYQF-OAQYLSRUSA-N -1 3 480.014 6.355 40 0 JKABHM O=C1[N-][C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000408976059 570089807 /nfs/dbraw/zinc/08/98/07/570089807.db2.gz OXJBEMRIMHXTLF-OAQYLSRUSA-N -1 3 480.014 6.355 40 0 JKABHM O=c1[n-]c(-c2ccc(Sc3nc4ccccc4s3)o2)nc2sc3c(c21)CCCCC3 ZINC000408989971 570093662 /nfs/dbraw/zinc/09/36/62/570093662.db2.gz JPIKPKOJZIWJQG-UHFFFAOYSA-N -1 3 451.598 6.687 40 0 JKABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc(I)c1O ZINC000408992498 570094492 /nfs/dbraw/zinc/09/44/92/570094492.db2.gz TTZDANZAYNAVIH-UHFFFAOYSA-N -1 3 482.343 5.042 40 0 JKABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257211202 570111434 /nfs/dbraw/zinc/11/14/34/570111434.db2.gz BXWWJEPLNVPFPJ-NRFANRHFSA-N -1 3 460.921 5.059 40 0 JKABHM CC1(C)Oc2c(cccc2C(F)(F)F)[C@@H]2O[C@@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000257240472 570120421 /nfs/dbraw/zinc/12/04/21/570120421.db2.gz HTQVUZBJIGGFOR-FQOCKNPQSA-N -1 3 491.506 5.061 40 0 JKABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257244994 570121583 /nfs/dbraw/zinc/12/15/83/570121583.db2.gz INRDWLUWADTMQR-NRFANRHFSA-N -1 3 460.921 5.059 40 0 JKABHM CC(C)C(=O)N[C@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2ccc(Cl)cc2)C1 ZINC000257250914 570123472 /nfs/dbraw/zinc/12/34/72/570123472.db2.gz JONSNMKQJUBZRI-VWPQPMDRSA-N -1 3 466.803 5.932 40 0 JKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409102965 570129112 /nfs/dbraw/zinc/12/91/12/570129112.db2.gz WVTZLQDIQYUDMZ-MVBJNABHSA-N -1 3 467.315 5.284 40 0 JKABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCCN(Cc4ccc(OCC(=O)[O-])cc4)[C@H]3C[C@@H]21 ZINC000257322205 570145246 /nfs/dbraw/zinc/14/52/46/570145246.db2.gz WFAGDKUCWBAFEL-FZZWXMEGSA-N -1 3 471.981 5.085 40 0 JKABHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000257335223 570149111 /nfs/dbraw/zinc/14/91/11/570149111.db2.gz YJEPDIXCKZSDPY-KRWDZBQOSA-N -1 3 451.452 5.059 40 0 JKABHM CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCCN3Cc3ccc(/C=C/C(=O)[O-])cc3)O[C@@H]21 ZINC000257335539 570149148 /nfs/dbraw/zinc/14/91/48/570149148.db2.gz YKPNACNUBZFFRY-RADFQUNDSA-N -1 3 477.601 5.465 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000409171749 570155060 /nfs/dbraw/zinc/15/50/60/570155060.db2.gz GMOMRBRDMHHNKQ-UHFFFAOYSA-N -1 3 495.453 5.975 40 0 JKABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409177173 570157366 /nfs/dbraw/zinc/15/73/66/570157366.db2.gz CRPLMNKCUHEXHK-YIXHJXPBSA-N -1 3 477.369 5.455 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(C)cc3)cc2)cc1 ZINC000409177114 570157380 /nfs/dbraw/zinc/15/73/80/570157380.db2.gz AUHMHYQORARWFP-GOSISDBHSA-N -1 3 470.616 5.314 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)cc1 ZINC000409177780 570157708 /nfs/dbraw/zinc/15/77/08/570157708.db2.gz HDQHJILODYOHPL-XIEYBQDHSA-N -1 3 458.539 5.568 40 0 JKABHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000409179565 570158441 /nfs/dbraw/zinc/15/84/41/570158441.db2.gz RJUDIPKTLUHMFB-LJQANCHMSA-N -1 3 454.617 5.532 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)cc2)cc1 ZINC000409179860 570158553 /nfs/dbraw/zinc/15/85/53/570158553.db2.gz OOMRWEQGCZWCLB-SGWCAAJKSA-N -1 3 498.604 6.065 40 0 JKABHM O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000409179893 570158614 /nfs/dbraw/zinc/15/86/14/570158614.db2.gz PHRSWSDSUVWQSP-UHFFFAOYSA-N -1 3 499.416 5.805 40 0 JKABHM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000409180736 570158999 /nfs/dbraw/zinc/15/89/99/570158999.db2.gz UYJGZDJZRVHORK-UHFFFAOYSA-N -1 3 454.617 5.534 40 0 JKABHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000409181332 570159273 /nfs/dbraw/zinc/15/92/73/570159273.db2.gz BLVMZWBBPLZPMM-LJQANCHMSA-N -1 3 454.617 5.532 40 0 JKABHM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Cl)c([O-])c(OCC)c1 ZINC000261362834 570167726 /nfs/dbraw/zinc/16/77/26/570167726.db2.gz MQBPKRSPWRAUOE-NRFANRHFSA-O -1 3 474.006 5.149 40 0 JKABHM COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1OCc1ccc(Cl)cc1Cl ZINC000409271818 570189285 /nfs/dbraw/zinc/18/92/85/570189285.db2.gz NMXPFUXKLCJNOH-UHFFFAOYSA-N -1 3 487.408 6.837 40 0 JKABHM CSc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccc(C)cc2C)c1 ZINC000408544163 570192375 /nfs/dbraw/zinc/19/23/75/570192375.db2.gz SMGPYPAISJKTDI-UHFFFAOYSA-N -1 3 476.627 5.709 40 0 JKABHM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408547758 570193966 /nfs/dbraw/zinc/19/39/66/570193966.db2.gz MJFHPGVJSZCUJM-UHFFFAOYSA-N -1 3 499.416 5.805 40 0 JKABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408550525 570194986 /nfs/dbraw/zinc/19/49/86/570194986.db2.gz DCDLMDYYMQPLBP-UHFFFAOYSA-N -1 3 478.492 5.086 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408550948 570195093 /nfs/dbraw/zinc/19/50/93/570195093.db2.gz INKRISRTHMRVNE-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)c1 ZINC000408550917 570195102 /nfs/dbraw/zinc/19/51/02/570195102.db2.gz GGGFSNDUYQTMRY-UHFFFAOYSA-N -1 3 452.576 5.245 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408551056 570195131 /nfs/dbraw/zinc/19/51/31/570195131.db2.gz JGBVVZLLMTWJFN-UHFFFAOYSA-N -1 3 472.994 5.834 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408551932 570195341 /nfs/dbraw/zinc/19/53/41/570195341.db2.gz JZJVNXDMOXQVFC-UHFFFAOYSA-N -1 3 492.519 5.395 40 0 JKABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408552747 570195633 /nfs/dbraw/zinc/19/56/33/570195633.db2.gz NMFHKKOOGBFHPG-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408554548 570196334 /nfs/dbraw/zinc/19/63/34/570196334.db2.gz BWVDMVUULPTMPH-UHFFFAOYSA-N -1 3 472.994 5.717 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1ccccc1C ZINC000408555756 570196951 /nfs/dbraw/zinc/19/69/51/570196951.db2.gz GBRSQPXJXUILMJ-UHFFFAOYSA-N -1 3 452.576 5.489 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccccc1 ZINC000408555742 570196965 /nfs/dbraw/zinc/19/69/65/570196965.db2.gz FYMGJFXUVLFHKV-UHFFFAOYSA-N -1 3 474.538 5.541 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000408555950 570197093 /nfs/dbraw/zinc/19/70/93/570197093.db2.gz BKRUKDHWPZXGER-UHFFFAOYSA-N -1 3 474.966 5.191 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557048 570197985 /nfs/dbraw/zinc/19/79/85/570197985.db2.gz KOSLVKTYZSMTSV-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1ccccc1F ZINC000408557415 570198154 /nfs/dbraw/zinc/19/81/54/570198154.db2.gz MPHWGYJQCYCNQN-UHFFFAOYSA-N -1 3 470.566 5.709 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557500 570198199 /nfs/dbraw/zinc/19/81/99/570198199.db2.gz NCEMZBFRZFXPNR-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)c1ccccc1F ZINC000408557356 570198220 /nfs/dbraw/zinc/19/82/20/570198220.db2.gz MGRXQXDMHQLVTI-UHFFFAOYSA-N -1 3 456.539 5.203 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557980 570198545 /nfs/dbraw/zinc/19/85/45/570198545.db2.gz PKLPTZBWJGFSKM-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408558186 570198870 /nfs/dbraw/zinc/19/88/70/570198870.db2.gz PTHQLMZSPJGOIK-UHFFFAOYSA-N -1 3 479.385 5.672 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1ccc(C)cc1 ZINC000408558351 570199001 /nfs/dbraw/zinc/19/90/01/570199001.db2.gz QSOLBHSBZXCJOU-UHFFFAOYSA-N -1 3 452.576 5.489 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558544 570199040 /nfs/dbraw/zinc/19/90/40/570199040.db2.gz RVZJSFRWAYQMEC-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558737 570199221 /nfs/dbraw/zinc/19/92/21/570199221.db2.gz SRSNQUSMDGXNCE-UHFFFAOYSA-N -1 3 487.021 5.917 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558844 570199286 /nfs/dbraw/zinc/19/92/86/570199286.db2.gz KKKGVKZNTOKQSW-UHFFFAOYSA-N -1 3 495.384 5.454 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408560012 570200134 /nfs/dbraw/zinc/20/01/34/570200134.db2.gz ZNBRSZAKCXHITD-UHFFFAOYSA-N -1 3 493.412 5.980 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000408561119 570200802 /nfs/dbraw/zinc/20/08/02/570200802.db2.gz QTEVDROWWIXVJH-UHFFFAOYSA-N -1 3 495.384 5.454 40 0 JKABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408561834 570201397 /nfs/dbraw/zinc/20/13/97/570201397.db2.gz VUQBCVYSEKBNRE-UHFFFAOYSA-N -1 3 496.532 5.246 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408562407 570201717 /nfs/dbraw/zinc/20/17/17/570201717.db2.gz ZPFKPYXTELTESJ-UHFFFAOYSA-N -1 3 487.311 5.333 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562486 570201866 /nfs/dbraw/zinc/20/18/66/570201866.db2.gz QBOAONIFKRJVAE-UHFFFAOYSA-N -1 3 476.957 5.168 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c(Cl)c2)cc1 ZINC000408582635 570207028 /nfs/dbraw/zinc/20/70/28/570207028.db2.gz DWVIWPUNSGRIPB-UHFFFAOYSA-N -1 3 472.994 5.590 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)c(Cl)c2)cc1 ZINC000408584177 570207479 /nfs/dbraw/zinc/20/74/79/570207479.db2.gz MSBBFBDWXHKMCV-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(Cl)c2)cc1 ZINC000408584280 570207522 /nfs/dbraw/zinc/20/75/22/570207522.db2.gz NTTOAZXLRMCEDL-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)c(Cl)c2)cc1 ZINC000408584496 570207601 /nfs/dbraw/zinc/20/76/01/570207601.db2.gz QNPCGRDNYSXBLG-UHFFFAOYSA-N -1 3 465.015 5.057 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1 ZINC000408584669 570207679 /nfs/dbraw/zinc/20/76/79/570207679.db2.gz STYGYUBOMSMILL-UHFFFAOYSA-N -1 3 487.021 5.809 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 ZINC000408584803 570207714 /nfs/dbraw/zinc/20/77/14/570207714.db2.gz VIEWFSJVYGLHGI-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1 ZINC000408584852 570207757 /nfs/dbraw/zinc/20/77/57/570207757.db2.gz VXWZIFRUDOVFQQ-UHFFFAOYSA-N -1 3 458.967 5.029 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1Cl ZINC000408586084 570208097 /nfs/dbraw/zinc/20/80/97/570208097.db2.gz ADCIVYTWMZVSQQ-UHFFFAOYSA-N -1 3 472.994 5.590 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)cc1Cl ZINC000408586201 570208105 /nfs/dbraw/zinc/20/81/05/570208105.db2.gz ARAVACURLNAOBB-UHFFFAOYSA-N -1 3 465.015 5.057 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1Cl ZINC000408586842 570208219 /nfs/dbraw/zinc/20/82/19/570208219.db2.gz CDPGRAVPCWDDAC-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1)N1CCCCC1 ZINC000408588391 570208544 /nfs/dbraw/zinc/20/85/44/570208544.db2.gz FXCWVLVYPFBHGW-UHFFFAOYSA-N -1 3 451.548 5.298 40 0 JKABHM CC(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408589026 570208712 /nfs/dbraw/zinc/20/87/12/570208712.db2.gz DKSWDLBAHCOWCS-QFIPXVFZSA-N -1 3 491.440 5.645 40 0 JKABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408589969 570208882 /nfs/dbraw/zinc/20/88/82/570208882.db2.gz IKSXJNWFWMLFNO-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cc(Cl)ccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408589746 570208888 /nfs/dbraw/zinc/20/88/88/570208888.db2.gz FHVVMYDOERAFMR-HXUWFJFHSA-N -1 3 497.831 5.484 40 0 JKABHM Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408591077 570209180 /nfs/dbraw/zinc/20/91/80/570209180.db2.gz IHUQPNUVPRZYOH-NRFANRHFSA-N -1 3 477.413 5.139 40 0 JKABHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000408592276 570209449 /nfs/dbraw/zinc/20/94/49/570209449.db2.gz JSIVBHKTOIUKSH-OAQYLSRUSA-N -1 3 477.413 5.139 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)cc1 ZINC000408592282 570209453 /nfs/dbraw/zinc/20/94/53/570209453.db2.gz KZKWSSDDXFBWJN-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1Cl ZINC000408592824 570209594 /nfs/dbraw/zinc/20/95/94/570209594.db2.gz OUCCCRZPIXZMIF-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408593127 570209679 /nfs/dbraw/zinc/20/96/79/570209679.db2.gz PDALRYILUJLGMB-UHFFFAOYSA-N -1 3 487.021 5.809 40 0 JKABHM Cc1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)c(Br)c1 ZINC000001125617 194035937 /nfs/dbraw/zinc/03/59/37/194035937.db2.gz VYLPTGLNRJVCKT-WOJGMQOQSA-N -1 3 457.711 5.768 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009158530 194575092 /nfs/dbraw/zinc/57/50/92/194575092.db2.gz VFGVPJFOWZWFSG-NXCFDTQHSA-N -1 3 454.570 5.652 40 0 JKABHM O=c1cc(-c2ccccc2Cl)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[n-]1 ZINC000020634935 195191688 /nfs/dbraw/zinc/19/16/88/195191688.db2.gz KNNTYMXCMSQMTM-UHFFFAOYSA-N -1 3 460.324 6.098 40 0 JKABHM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(Oc5ccccc5)cc4)ccc32)cc1 ZINC000020766108 195221259 /nfs/dbraw/zinc/22/12/59/195221259.db2.gz WJEFEFWXUUQOEI-UHFFFAOYSA-N -1 3 498.604 6.181 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000020766378 195221586 /nfs/dbraw/zinc/22/15/86/195221586.db2.gz LOWQKSDRXHTIIV-UHFFFAOYSA-N -1 3 454.979 5.351 40 0 JKABHM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc21 ZINC000020766461 195221668 /nfs/dbraw/zinc/22/16/68/195221668.db2.gz CLNJDYYKGKUTJC-UHFFFAOYSA-N -1 3 495.815 6.041 40 0 JKABHM O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc21 ZINC000020766424 195221820 /nfs/dbraw/zinc/22/18/20/195221820.db2.gz FFJGRAFFYYQWMD-UHFFFAOYSA-N -1 3 461.370 5.387 40 0 JKABHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767149 195222429 /nfs/dbraw/zinc/22/24/29/195222429.db2.gz JMTRDBMVXSMJJZ-UHFFFAOYSA-N -1 3 454.979 5.296 40 0 JKABHM O=C1[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)S1 ZINC000059418014 195399888 /nfs/dbraw/zinc/39/98/88/195399888.db2.gz OTCHFCUAFUQLKQ-VGOFMYFVSA-N -1 3 487.144 5.254 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccncc1 ZINC000224861715 195469480 /nfs/dbraw/zinc/46/94/80/195469480.db2.gz ONGIEWLSKJDTKD-JWQCQUIFSA-N -1 3 490.032 5.479 40 0 JKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000016688698 520721377 /nfs/dbraw/zinc/72/13/77/520721377.db2.gz YPKZWPBZWJNGTL-UHFFFAOYSA-N -1 3 460.357 5.959 40 0 JKABHM CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c([N-]C(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 ZINC000022754197 522044408 /nfs/dbraw/zinc/04/44/08/522044408.db2.gz RKPPOYZRQLLUST-JTQLQIEISA-N -1 3 494.847 7.610 40 0 JKABHM COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000022716261 522849490 /nfs/dbraw/zinc/84/94/90/522849490.db2.gz QNIXLENWEUNFDM-UHFFFAOYSA-N -1 3 479.583 5.121 40 0 JKABHM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000022521747 522867783 /nfs/dbraw/zinc/86/77/83/522867783.db2.gz CTIKOQPLWMQJLU-QHCPKHFHSA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020450727 522874902 /nfs/dbraw/zinc/87/49/02/522874902.db2.gz MBECAYMRMUVFBD-QHCPKHFHSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000044841793 522879064 /nfs/dbraw/zinc/87/90/64/522879064.db2.gz XKWBCBVVYKYFIV-MHZLTWQESA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020492509 522884945 /nfs/dbraw/zinc/88/49/45/522884945.db2.gz PFNKZYKNIIMKBI-QFIPXVFZSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000022529921 522885004 /nfs/dbraw/zinc/88/50/04/522885004.db2.gz IRFNULXJYJUCHA-DEOSSOPVSA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020459849 522897750 /nfs/dbraw/zinc/89/77/50/522897750.db2.gz DZSPNHRCIWFLBT-QFIPXVFZSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020460538 522897777 /nfs/dbraw/zinc/89/77/77/522897777.db2.gz DRCBCDBJLFAWEE-FQEVSTJZSA-N -1 3 462.930 5.076 40 0 JKABHM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000044903612 522918627 /nfs/dbraw/zinc/91/86/27/522918627.db2.gz HQNNSWMRKSVWKN-NRFANRHFSA-N -1 3 495.453 6.304 40 0 JKABHM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000022521742 523038697 /nfs/dbraw/zinc/03/86/97/523038697.db2.gz CTIKOQPLWMQJLU-HSZRJFAPSA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000020450582 523046802 /nfs/dbraw/zinc/04/68/02/523046802.db2.gz LBJGEVYMXPAWHL-AREMUKBSSA-N -1 3 490.581 5.445 40 0 JKABHM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000022534056 523046828 /nfs/dbraw/zinc/04/68/28/523046828.db2.gz BZWYSPMLUBKMGW-AREMUKBSSA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020492508 523050990 /nfs/dbraw/zinc/05/09/90/523050990.db2.gz PFNKZYKNIIMKBI-JOCHJYFZSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000022529916 523051283 /nfs/dbraw/zinc/05/12/83/523051283.db2.gz IRFNULXJYJUCHA-XMMPIXPASA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000022518426 523052567 /nfs/dbraw/zinc/05/25/67/523052567.db2.gz JGSRSTBUORBVCZ-HSZRJFAPSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020454816 523053549 /nfs/dbraw/zinc/05/35/49/523053549.db2.gz NKCCLIDCPGKPTD-OAQYLSRUSA-N -1 3 479.385 5.590 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000044883813 524304601 /nfs/dbraw/zinc/30/46/01/524304601.db2.gz OPHDDCDBCLGCJV-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl ZINC000044884788 524637772 /nfs/dbraw/zinc/63/77/72/524637772.db2.gz KWPSSTVMXNQTAR-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM Cc1ccc(CSCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020492464 524646359 /nfs/dbraw/zinc/64/63/59/524646359.db2.gz UNSUMQVGOARDJK-UHFFFAOYSA-N -1 3 489.062 5.421 40 0 JKABHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1C ZINC000044886002 524773506 /nfs/dbraw/zinc/77/35/06/524773506.db2.gz CBRNLRMDZPTTFA-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000044846316 525113424 /nfs/dbraw/zinc/11/34/24/525113424.db2.gz KLQIFTRAQMQGQK-GOSISDBHSA-N -1 3 470.616 5.232 40 0 JKABHM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020461084 525175141 /nfs/dbraw/zinc/17/51/41/525175141.db2.gz BXMLZQDNEIWJED-XMMPIXPASA-N -1 3 487.021 5.667 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022569159 525261809 /nfs/dbraw/zinc/26/18/09/525261809.db2.gz RJJDZWBZNOTJEZ-UHFFFAOYSA-N -1 3 461.543 5.423 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022569172 525262586 /nfs/dbraw/zinc/26/25/86/525262586.db2.gz RJIQUWSDPOQXHG-UHFFFAOYSA-N -1 3 461.543 5.423 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022750025 525263390 /nfs/dbraw/zinc/26/33/90/525263390.db2.gz QNKYXXUVFAECKG-UHFFFAOYSA-N -1 3 491.638 6.139 40 0 JKABHM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000044901540 525331174 /nfs/dbraw/zinc/33/11/74/525331174.db2.gz RDVKMIYSKZSNHK-QGZVFWFLSA-N -1 3 471.022 5.929 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(OC(C)C)c3)cc2Cl)cc1 ZINC000044901559 525599647 /nfs/dbraw/zinc/59/96/47/525599647.db2.gz SZEGGQJFJCMSBR-UHFFFAOYSA-N -1 3 472.994 5.166 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2Cl)cc1 ZINC000044947829 525600505 /nfs/dbraw/zinc/60/05/05/525600505.db2.gz OLGZZWZHBQSDLC-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3C)cc2Cl)cc1 ZINC000044844661 525601061 /nfs/dbraw/zinc/60/10/61/525601061.db2.gz GCCDEXZUKFLLFC-UHFFFAOYSA-N -1 3 489.062 5.421 40 0 JKABHM Cc1ccc(SCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020452541 525660232 /nfs/dbraw/zinc/66/02/32/525660232.db2.gz KMWQGHRXSCSDLJ-UHFFFAOYSA-N -1 3 475.035 5.280 40 0 JKABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009291132 526139658 /nfs/dbraw/zinc/13/96/58/526139658.db2.gz XXABJDWWKJLUQA-VSKRKVRLSA-N -1 3 469.324 5.053 40 0 JKABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000020456023 526237697 /nfs/dbraw/zinc/23/76/97/526237697.db2.gz ANFSKDFCVSGWEO-AWEZNQCLSA-N -1 3 495.384 5.209 40 0 JKABHM O=C(NCc1ccc(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020491979 526661214 /nfs/dbraw/zinc/66/12/14/526661214.db2.gz KDJAULMJVBYBRP-UHFFFAOYSA-N -1 3 469.777 5.378 40 0 JKABHM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000044903692 527024216 /nfs/dbraw/zinc/02/42/16/527024216.db2.gz RHLUFWIYNBHKFM-UHFFFAOYSA-N -1 3 464.971 5.152 40 0 JKABHM O=C(Nc1ccc(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022512267 527185078 /nfs/dbraw/zinc/18/50/78/527185078.db2.gz SCPZTQJVYGNVKA-UHFFFAOYSA-N -1 3 455.750 5.700 40 0 JKABHM CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000001223760 553935080 /nfs/dbraw/zinc/93/50/80/553935080.db2.gz WEEXHWMZGXACAH-UHFFFAOYSA-N -1 3 458.587 5.301 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)Nc1ccc(Cl)cc1 ZINC000001223728 553935144 /nfs/dbraw/zinc/93/51/44/553935144.db2.gz LSFJDALMEKOVKM-UHFFFAOYSA-N -1 3 450.951 5.083 40 0 JKABHM CCOC(=O)c1sc([N-]C(=O)c2sc3cc(OC)ccc3c2Cl)c(C(=O)OCC)c1C ZINC000001469880 553976880 /nfs/dbraw/zinc/97/68/80/553976880.db2.gz CQDPRBBDBFSNKC-UHFFFAOYSA-N -1 3 481.979 5.539 40 0 JKABHM Cc1cnc(NCCCCCCNc2ncc(C)c(-c3ccccc3O)n2)nc1-c1ccccc1[O-] ZINC000001572695 553978846 /nfs/dbraw/zinc/97/88/46/553978846.db2.gz MHKOQSUVZXBGDQ-UHFFFAOYSA-N -1 3 484.604 5.713 40 0 JKABHM CC(C)(C)c1ccc([O-])c(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)ccc3O)c2O)c1 ZINC000001624071 553980799 /nfs/dbraw/zinc/98/07/99/553980799.db2.gz CZXDXDAKWOMNKB-UHFFFAOYSA-N -1 3 474.685 7.878 40 0 JKABHM O=C([O-])C1CCN(Cc2c(-c3ccc(Br)cc3)nc3sc4ccccc4n23)CC1 ZINC000002528888 554232640 /nfs/dbraw/zinc/23/26/40/554232640.db2.gz TYNJCQBORFPDRC-UHFFFAOYSA-N -1 3 470.392 5.275 40 0 JKABHM C[C@@H](CCC(O)(CC[C@H](C)CC(C)(C)C)C(=O)COC(=O)c1ccc([O-])cc1)CC(C)(C)C ZINC000004887304 554482827 /nfs/dbraw/zinc/48/28/27/554482827.db2.gz SHALQAZWLACCBM-SFTDATJTSA-N -1 3 462.671 6.554 40 0 JKABHM COCCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905452 554561331 /nfs/dbraw/zinc/56/13/31/554561331.db2.gz GFLDYLJLAWXGLO-UHFFFAOYSA-N -1 3 484.581 5.334 40 0 JKABHM COC(=O)c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CC[C@@H](C(C)(C)C)C5)o2)cc1 ZINC000008442234 554591886 /nfs/dbraw/zinc/59/18/86/554591886.db2.gz ZEVPIYAYTPUAKV-MRXNPFEDSA-N -1 3 462.571 5.849 40 0 JKABHM CC(C)(C)C(=O)[C@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000008744462 554647825 /nfs/dbraw/zinc/64/78/25/554647825.db2.gz MJIMMXRDPQQIMF-RWJVBYDYSA-N -1 3 482.605 5.337 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F)c1ccccc1F ZINC000008810679 554691244 /nfs/dbraw/zinc/69/12/44/554691244.db2.gz BBEVJQMUBYWUKS-UHFFFAOYSA-N -1 3 457.285 5.325 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1F)c1ccccc1F ZINC000008810683 554691280 /nfs/dbraw/zinc/69/12/80/554691280.db2.gz CDLSJXUTBVRQON-UHFFFAOYSA-N -1 3 491.730 5.978 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1F)c1ccc(F)cc1 ZINC000008810843 554691493 /nfs/dbraw/zinc/69/14/93/554691493.db2.gz LOBZXLAARYMNQF-UHFFFAOYSA-N -1 3 457.285 5.325 40 0 JKABHM COc1ccc(/C=C/C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000008835162 554733474 /nfs/dbraw/zinc/73/34/74/554733474.db2.gz VFCWUDQBYQUQDV-FMIVXFBMSA-N -1 3 475.595 5.512 40 0 JKABHM COc1c(F)c(F)c(C(=O)[N-]c2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c(F)c1F ZINC000008899364 554790216 /nfs/dbraw/zinc/79/02/16/554790216.db2.gz YKTTWKZDTOLFDY-UHFFFAOYSA-N -1 3 492.856 7.089 40 0 JKABHM COc1c(F)c(F)c(C(=O)[N-]c2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)c(F)c1F ZINC000008899338 554790229 /nfs/dbraw/zinc/79/02/29/554790229.db2.gz IMLKYFFYMYQLFH-UHFFFAOYSA-N -1 3 478.829 6.582 40 0 JKABHM CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)C(C)(C)C)C(=C([O-])c1ccncc1)[C@@]21C(=O)Nc2ccccc21 ZINC000009015806 554865981 /nfs/dbraw/zinc/86/59/81/554865981.db2.gz CDKPVMWAAKYWAN-PDTFHCFTSA-N -1 3 491.591 5.060 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4Cl)ccc3[O-])nc2c1 ZINC000009064913 554884341 /nfs/dbraw/zinc/88/43/41/554884341.db2.gz ROIJSRCLSAVZMO-UHFFFAOYSA-N -1 3 465.962 5.851 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)ccc3[O-])oc2c1 ZINC000009064894 554884437 /nfs/dbraw/zinc/88/44/37/554884437.db2.gz KTFYLRQLZLOYNP-UHFFFAOYSA-N -1 3 461.543 5.423 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000009291711 555066175 /nfs/dbraw/zinc/06/61/75/555066175.db2.gz PZQIEIGSQXECJF-ZRBLBEILSA-N -1 3 466.459 5.373 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000009345559 555112000 /nfs/dbraw/zinc/11/20/00/555112000.db2.gz HVEBVCCBSCCNLB-VXNXHJTFSA-N -1 3 496.485 5.545 40 0 JKABHM Cc1ccc(Cl)cc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000009461152 555228658 /nfs/dbraw/zinc/22/86/58/555228658.db2.gz YFEBEVINXQOVED-VSKRKVRLSA-N -1 3 497.776 5.462 40 0 JKABHM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013513369 555484225 /nfs/dbraw/zinc/48/42/25/555484225.db2.gz VEZFHJVGNZZXTO-CTZQYXLCSA-N -1 3 450.579 5.370 40 0 JKABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000019937707 555554254 /nfs/dbraw/zinc/55/42/54/555554254.db2.gz RGFBFCFPFZQIRT-UHFFFAOYSA-N -1 3 478.335 5.156 40 0 JKABHM CC[C@@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3[O-])nc2c1 ZINC000010003604 555590657 /nfs/dbraw/zinc/59/06/57/555590657.db2.gz CRIKZKUHXVDGRG-CQSZACIVSA-N -1 3 489.553 5.569 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)c1 ZINC000020020184 555596606 /nfs/dbraw/zinc/59/66/06/555596606.db2.gz ODVGAZSRSWCKGZ-UHFFFAOYSA-N -1 3 496.482 5.280 40 0 JKABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000020020161 555596664 /nfs/dbraw/zinc/59/66/64/555596664.db2.gz PHVDFZKQBXNYBP-IBGZPJMESA-N -1 3 484.643 5.082 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000020021569 555598822 /nfs/dbraw/zinc/59/88/22/555598822.db2.gz VJDMLYTZBOYDIE-GOSISDBHSA-N -1 3 472.994 5.014 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000020022390 555599963 /nfs/dbraw/zinc/59/99/63/555599963.db2.gz DJTBPQCAUFPDHS-HSZRJFAPSA-N -1 3 485.005 5.022 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(C)c2)cc1C ZINC000020022555 555600240 /nfs/dbraw/zinc/60/02/40/555600240.db2.gz BGCUZZSXOLEFFN-IBGZPJMESA-N -1 3 487.021 5.322 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000013749540 555608518 /nfs/dbraw/zinc/60/85/18/555608518.db2.gz CRYCDDDPTISSKT-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3Cc2ccccc2)cc1 ZINC000013751242 555609660 /nfs/dbraw/zinc/60/96/60/555609660.db2.gz IPFLJDRUQGGQBC-VJGNERBWSA-N -1 3 470.569 5.177 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020037115 555611169 /nfs/dbraw/zinc/61/11/69/555611169.db2.gz ZITMRHWMIKXBPV-FQEVSTJZSA-N -1 3 482.602 5.217 40 0 JKABHM O=C(NCCSCc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020037969 555612107 /nfs/dbraw/zinc/61/21/07/555612107.db2.gz PUJGXPDCILGNED-UHFFFAOYSA-N -1 3 495.453 5.457 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2Cl)cc1 ZINC000020038354 555612136 /nfs/dbraw/zinc/61/21/36/555612136.db2.gz SFRXIPWKSQMMOF-UHFFFAOYSA-N -1 3 491.012 5.969 40 0 JKABHM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013770489 555614521 /nfs/dbraw/zinc/61/45/21/555614521.db2.gz DIDRDADLVCXBRP-ZNZIZOMTSA-N -1 3 490.531 5.064 40 0 JKABHM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020043137 555614740 /nfs/dbraw/zinc/61/47/40/555614740.db2.gz WJDGNDODBXHXNM-QGZVFWFLSA-N -1 3 472.994 5.339 40 0 JKABHM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013776142 555616330 /nfs/dbraw/zinc/61/63/30/555616330.db2.gz TUOGVVHZFULDKU-DHWLSRIRSA-N -1 3 471.395 5.344 40 0 JKABHM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013776146 555616492 /nfs/dbraw/zinc/61/64/92/555616492.db2.gz TUOGVVHZFULDKU-XXMUNEJQSA-N -1 3 471.395 5.344 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000020047854 555617825 /nfs/dbraw/zinc/61/78/25/555617825.db2.gz QVDSVNVNIHHBLW-UHFFFAOYSA-N -1 3 468.884 5.720 40 0 JKABHM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000020050818 555620039 /nfs/dbraw/zinc/62/00/39/555620039.db2.gz VUZWZGHMBCFROI-HNNXBMFYSA-N -1 3 479.385 5.509 40 0 JKABHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020061054 555623948 /nfs/dbraw/zinc/62/39/48/555623948.db2.gz WWSITVWJQOQSAF-OAHLLOKOSA-N -1 3 495.453 6.055 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000013810880 555626085 /nfs/dbraw/zinc/62/60/85/555626085.db2.gz PZQIEIGSQXECJF-VJBWXMMDSA-N -1 3 466.459 5.373 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000013811286 555627844 /nfs/dbraw/zinc/62/78/44/555627844.db2.gz HVEBVCCBSCCNLB-HJOGWXRNSA-N -1 3 496.485 5.545 40 0 JKABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000013811467 555628108 /nfs/dbraw/zinc/62/81/08/555628108.db2.gz DLMAWDOBBYYXGS-VJBWXMMDSA-N -1 3 482.458 5.155 40 0 JKABHM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000020106333 555640035 /nfs/dbraw/zinc/64/00/35/555640035.db2.gz CWCDIKRLFQBTIC-VWLOTQADSA-N -1 3 490.581 5.445 40 0 JKABHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000013998057 555668336 /nfs/dbraw/zinc/66/83/36/555668336.db2.gz BEAYCKXKSJKBHW-QFIPXVFZSA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000014013431 555670665 /nfs/dbraw/zinc/67/06/65/555670665.db2.gz PKOHCZHGJLNLOH-DEOSSOPVSA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000014022630 555673645 /nfs/dbraw/zinc/67/36/45/555673645.db2.gz XBDMKDJRZYMLBZ-DEOSSOPVSA-N -1 3 452.576 5.209 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010315313 555682317 /nfs/dbraw/zinc/68/23/17/555682317.db2.gz IAGDWDSTKGYHPI-UHFFFAOYSA-N -1 3 466.603 5.365 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000010328104 555686204 /nfs/dbraw/zinc/68/62/04/555686204.db2.gz KXSOSHLPGHGTKI-UHFFFAOYSA-N -1 3 480.630 5.755 40 0 JKABHM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000010338105 555692626 /nfs/dbraw/zinc/69/26/26/555692626.db2.gz JFJOQFOIHMDZAZ-UHFFFAOYSA-N -1 3 469.777 5.629 40 0 JKABHM CCCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000014270250 555761793 /nfs/dbraw/zinc/76/17/93/555761793.db2.gz PYKMBNVTQQTRGQ-UHFFFAOYSA-N -1 3 461.543 5.424 40 0 JKABHM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccc(C)cc3o2)c1 ZINC000014270252 555761812 /nfs/dbraw/zinc/76/18/12/555761812.db2.gz DISHUMQTGGIXGW-UHFFFAOYSA-N -1 3 467.934 5.298 40 0 JKABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000014270230 555761860 /nfs/dbraw/zinc/76/18/60/555761860.db2.gz RJSOMYSBLPSGMQ-DHZHZOJOSA-N -1 3 463.946 5.689 40 0 JKABHM COc1ccc(/C=C/C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000014270232 555761911 /nfs/dbraw/zinc/76/19/11/555761911.db2.gz VYOOESXLLZJZKA-FMIVXFBMSA-N -1 3 459.527 5.044 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)ccc3[O-])oc2c1 ZINC000014270272 555761986 /nfs/dbraw/zinc/76/19/86/555761986.db2.gz DQZNJWFXTDDGAJ-UHFFFAOYSA-N -1 3 451.935 5.218 40 0 JKABHM CCc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000014270316 555762203 /nfs/dbraw/zinc/76/22/03/555762203.db2.gz XNAHTXQPHCJAPQ-UHFFFAOYSA-N -1 3 451.935 5.543 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)ccc3[O-])nc2c1 ZINC000014270305 555762287 /nfs/dbraw/zinc/76/22/87/555762287.db2.gz ZERJUZDKRPHIAX-UHFFFAOYSA-N -1 3 473.598 6.187 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000020326897 555773287 /nfs/dbraw/zinc/77/32/87/555773287.db2.gz BBGRZYYXEPUKJZ-IBGZPJMESA-N -1 3 482.602 5.416 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000020338467 555777550 /nfs/dbraw/zinc/77/75/50/555777550.db2.gz VVUWPPWYSVDXEH-UHFFFAOYSA-N -1 3 486.593 5.734 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000020334053 555777617 /nfs/dbraw/zinc/77/76/17/555777617.db2.gz SECZHMVJOKSHHR-UHFFFAOYSA-N -1 3 488.993 5.336 40 0 JKABHM CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1Cl ZINC000014275122 555779670 /nfs/dbraw/zinc/77/96/70/555779670.db2.gz PJVTWGJMIDWEBB-UHFFFAOYSA-N -1 3 481.961 5.688 40 0 JKABHM CCCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)c1 ZINC000014275181 555779763 /nfs/dbraw/zinc/77/97/63/555779763.db2.gz CDVFZBOQJLSNCK-UHFFFAOYSA-N -1 3 475.570 5.678 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4Br)ccc3[O-])oc2c1 ZINC000014275114 555779795 /nfs/dbraw/zinc/77/97/95/555779795.db2.gz GLNUAMFJLJQRDA-UHFFFAOYSA-N -1 3 482.359 5.398 40 0 JKABHM CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)cc1Cl ZINC000014275176 555779825 /nfs/dbraw/zinc/77/98/25/555779825.db2.gz KZFCZXMIOQFRBY-UHFFFAOYSA-N -1 3 495.988 5.942 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)ccc3[O-])nc2c1 ZINC000014275187 555780126 /nfs/dbraw/zinc/78/01/26/555780126.db2.gz IRTJDHHRAZYDFJ-UHFFFAOYSA-N -1 3 489.597 5.924 40 0 JKABHM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014397194 555802942 /nfs/dbraw/zinc/80/29/42/555802942.db2.gz ZLOXMGVYXUMJJA-UHFFFAOYSA-N -1 3 462.930 5.078 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000014398356 555804273 /nfs/dbraw/zinc/80/42/73/555804273.db2.gz JZDDVQSZOVNNSZ-ZDUSSCGKSA-N -1 3 499.803 5.854 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000014400247 555805697 /nfs/dbraw/zinc/80/56/97/555805697.db2.gz GOBYVHYBDMBUHU-ZDUSSCGKSA-N -1 3 499.803 5.854 40 0 JKABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000020572812 555824618 /nfs/dbraw/zinc/82/46/18/555824618.db2.gz KQWXTGVNMJPDPX-UHFFFAOYSA-N -1 3 491.363 5.496 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000014665265 555837245 /nfs/dbraw/zinc/83/72/45/555837245.db2.gz XOSUPBXAYYXOAA-IBGZPJMESA-N -1 3 496.629 5.590 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 ZINC000014666363 555837417 /nfs/dbraw/zinc/83/74/17/555837417.db2.gz SGQPDFBKEJUJGU-UHFFFAOYSA-N -1 3 466.603 5.419 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1 ZINC000014666320 555837434 /nfs/dbraw/zinc/83/74/34/555837434.db2.gz BWTAXPOLHJZVGT-UHFFFAOYSA-N -1 3 482.602 5.201 40 0 JKABHM O=C1S/C(=C/c2ccc([O-])c(I)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000015008941 555852928 /nfs/dbraw/zinc/85/29/28/555852928.db2.gz SEZVNAWHTKLZLZ-GIDUJCDVSA-N -1 3 489.693 5.026 40 0 JKABHM CCCCCCSc1nnc2c(n1)O[C@H](c1cc(Cl)c([O-])c(OC)c1)Nc1ccccc1-2 ZINC000015015463 555855772 /nfs/dbraw/zinc/85/57/72/555855772.db2.gz ASDACIHJWIWSIS-OAQYLSRUSA-N -1 3 472.998 6.082 40 0 JKABHM CCCCCCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c([O-])c(OC)c1)Nc1ccccc1-2 ZINC000015015462 555855793 /nfs/dbraw/zinc/85/57/93/555855793.db2.gz ASDACIHJWIWSIS-NRFANRHFSA-N -1 3 472.998 6.082 40 0 JKABHM Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000022532725 555932395 /nfs/dbraw/zinc/93/23/95/555932395.db2.gz DKRXIYRWRUZXHU-UHFFFAOYSA-N -1 3 451.935 5.597 40 0 JKABHM CC[C@H](C)c1ccc2oc(-c3ccc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)cc3)nc2c1 ZINC000022706996 555943779 /nfs/dbraw/zinc/94/37/79/555943779.db2.gz PINMBWYZWHBZDV-NSHDSACASA-N -1 3 470.809 6.192 40 0 JKABHM CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cc3)nc2c1 ZINC000022706996 555943781 /nfs/dbraw/zinc/94/37/81/555943781.db2.gz PINMBWYZWHBZDV-NSHDSACASA-N -1 3 470.809 6.192 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022707997 555944549 /nfs/dbraw/zinc/94/45/49/555944549.db2.gz UIEDODZGRDLQEF-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000012485336 555987267 /nfs/dbraw/zinc/98/72/67/555987267.db2.gz BSUCZMLJANTBTQ-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000012496757 555990543 /nfs/dbraw/zinc/99/05/43/555990543.db2.gz PABKODKIUIYSHP-HXUWFJFHSA-N -1 3 472.614 5.630 40 0 JKABHM O=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(C(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000012635983 556095071 /nfs/dbraw/zinc/09/50/71/556095071.db2.gz BCPSWGBMNOOUEZ-SANMLTNESA-N -1 3 457.574 5.125 40 0 JKABHM CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc21 ZINC000016162941 556128074 /nfs/dbraw/zinc/12/80/74/556128074.db2.gz AOGYJCSXGIBQQA-UHFFFAOYSA-N -1 3 499.592 5.633 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 ZINC000016293380 556134383 /nfs/dbraw/zinc/13/43/83/556134383.db2.gz ZPYSAYBPQYSCQC-UHFFFAOYSA-N -1 3 452.576 5.245 40 0 JKABHM CCOC(=O)c1c2cc(OCc3n[n-]c(=S)n3-c3ccccc3)ccc2oc1-c1ccccc1 ZINC000016687739 556151449 /nfs/dbraw/zinc/15/14/49/556151449.db2.gz DFLQKFADKDGFKK-UHFFFAOYSA-N -1 3 471.538 5.725 40 0 JKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016688584 556152013 /nfs/dbraw/zinc/15/20/13/556152013.db2.gz NVRDKHMREJKSLA-UHFFFAOYSA-N -1 3 494.802 6.613 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)n(-c2ccc(C)cc2)c(C)c3C(C)=O)cc1 ZINC000016779590 556159086 /nfs/dbraw/zinc/15/90/86/556159086.db2.gz VFEBOAKKCFZKKE-UHFFFAOYSA-N -1 3 462.571 5.568 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)N1CCCCC1 ZINC000026116612 556246611 /nfs/dbraw/zinc/24/66/11/556246611.db2.gz RJEUFPXARBHAJC-UHFFFAOYSA-N -1 3 459.420 5.142 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026118386 556247670 /nfs/dbraw/zinc/24/76/70/556247670.db2.gz WCQBGHKOTKBBER-UHFFFAOYSA-N -1 3 473.447 5.388 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)N1CCCCCC1 ZINC000026120583 556249210 /nfs/dbraw/zinc/24/92/10/556249210.db2.gz IQOURTREPNTONG-UHFFFAOYSA-N -1 3 473.447 5.532 40 0 JKABHM Cc1cccc(NC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000026780167 556262125 /nfs/dbraw/zinc/26/21/25/556262125.db2.gz GTTXMMGDECRAGS-UHFFFAOYSA-N -1 3 499.036 6.084 40 0 JKABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C([O-])=C2ON1c1ccccc1 ZINC000018008643 556275790 /nfs/dbraw/zinc/27/57/90/556275790.db2.gz JKWILGWXNXPJPA-FSSWDIPSSA-N -1 3 452.432 5.065 40 0 JKABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000018030284 556277940 /nfs/dbraw/zinc/27/79/40/556277940.db2.gz HYGAUVLNAWWTMG-URVUXULASA-N -1 3 469.324 5.053 40 0 JKABHM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000018163593 556296928 /nfs/dbraw/zinc/29/69/28/556296928.db2.gz FPAWZWCFCCVLGZ-FKBYEOEOSA-N -1 3 450.947 5.113 40 0 JKABHM CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018167413 556297354 /nfs/dbraw/zinc/29/73/54/556297354.db2.gz FWTOXAOGUDVTRJ-PKTNWEFCSA-N -1 3 476.576 6.188 40 0 JKABHM O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000028206613 556317376 /nfs/dbraw/zinc/31/73/76/556317376.db2.gz DUDIDZCPCJZTTR-UHFFFAOYSA-N -1 3 470.550 5.483 40 0 JKABHM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(OC)cc1Cl ZINC000030754841 556372493 /nfs/dbraw/zinc/37/24/93/556372493.db2.gz UJJJTOAVMGHXNH-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000030754439 556372623 /nfs/dbraw/zinc/37/26/23/556372623.db2.gz MQLGEDIPNIITTQ-OAQYLSRUSA-N -1 3 458.967 5.245 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)c(C)c1 ZINC000030755478 556372796 /nfs/dbraw/zinc/37/27/96/556372796.db2.gz UXRFBTYZLJZXSI-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000030754956 556372837 /nfs/dbraw/zinc/37/28/37/556372837.db2.gz PKKAUOZPYMCAAJ-IBGZPJMESA-N -1 3 452.576 5.073 40 0 JKABHM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030758944 556374274 /nfs/dbraw/zinc/37/42/74/556374274.db2.gz MCIYFHHXHKCCLS-VWLOTQADSA-N -1 3 478.545 5.576 40 0 JKABHM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030758915 556374297 /nfs/dbraw/zinc/37/42/97/556374297.db2.gz LLHIQWHVSBLZNN-MRXNPFEDSA-N -1 3 458.967 5.031 40 0 JKABHM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000030848736 556376545 /nfs/dbraw/zinc/37/65/45/556376545.db2.gz PPRYDEIWBZCFED-XMMPIXPASA-N -1 3 495.000 6.090 40 0 JKABHM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000030849665 556376731 /nfs/dbraw/zinc/37/67/31/556376731.db2.gz WMJGNDPWPONZMG-OAHLLOKOSA-N -1 3 493.412 5.763 40 0 JKABHM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)ccc1Br ZINC000030854735 556379374 /nfs/dbraw/zinc/37/93/74/556379374.db2.gz KAGOWFFUVCMXFK-UHFFFAOYSA-N -1 3 479.783 5.464 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2Cl)cc1 ZINC000030857074 556380096 /nfs/dbraw/zinc/38/00/96/556380096.db2.gz IMYYHIYQPOBVDQ-JOCHJYFZSA-N -1 3 454.979 5.257 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000030861589 556381966 /nfs/dbraw/zinc/38/19/66/556381966.db2.gz AXASHHYPCCQXCI-HSZRJFAPSA-N -1 3 452.576 5.209 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2Cl)cc1 ZINC000030865538 556383258 /nfs/dbraw/zinc/38/32/58/556383258.db2.gz GYTNUBHBHMKGTJ-GOSISDBHSA-N -1 3 456.995 5.200 40 0 JKABHM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000030866536 556383541 /nfs/dbraw/zinc/38/35/41/556383541.db2.gz VEVWEVZPWOUJTL-DEOSSOPVSA-N -1 3 466.603 5.517 40 0 JKABHM COc1c(F)c(F)c(C(=O)[N-]c2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc32)c(F)c1F ZINC000057313717 569596731 /nfs/dbraw/zinc/59/67/31/569596731.db2.gz RUOGZQPLJCBLBC-UHFFFAOYSA-N -1 3 488.890 5.900 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)cc(C)c3[O-])nc2c1 ZINC000059294134 569602446 /nfs/dbraw/zinc/60/24/46/569602446.db2.gz ANCWBHFONQZLMI-UHFFFAOYSA-N -1 3 489.582 5.203 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 ZINC000033378934 569625306 /nfs/dbraw/zinc/62/53/06/569625306.db2.gz JOXHALQNSWYAMO-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000033491588 569626954 /nfs/dbraw/zinc/62/69/54/569626954.db2.gz OIVYZTKHIQJZAL-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000033600725 569628566 /nfs/dbraw/zinc/62/85/66/569628566.db2.gz DTMNETDIAWPEEH-ZETCQYMHSA-N -1 3 476.596 5.259 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2)cc1 ZINC000033660560 569630126 /nfs/dbraw/zinc/63/01/26/569630126.db2.gz SZPRAYQDCNFATG-UHFFFAOYSA-N -1 3 482.602 5.246 40 0 JKABHM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000033716209 569631527 /nfs/dbraw/zinc/63/15/27/569631527.db2.gz VUXDMECDLCFJMP-UHFFFAOYSA-N -1 3 492.519 5.647 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cccc2ccccc21 ZINC000033731092 569632495 /nfs/dbraw/zinc/63/24/95/569632495.db2.gz ZTTXOXXNFHHFMA-UHFFFAOYSA-N -1 3 466.946 5.312 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000033859313 569636410 /nfs/dbraw/zinc/63/64/10/569636410.db2.gz DFAXUTWZSNTPTO-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1ccccc1F ZINC000033864283 569636684 /nfs/dbraw/zinc/63/66/84/569636684.db2.gz MCEREVIOUZNKHU-UHFFFAOYSA-N -1 3 456.539 5.319 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1 ZINC000034744593 569655559 /nfs/dbraw/zinc/65/55/59/569655559.db2.gz DRADRCROJMRTEJ-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000034762558 569657974 /nfs/dbraw/zinc/65/79/74/569657974.db2.gz CICFCRFDQMHNBT-ZLNRFVROSA-N -1 3 498.457 5.035 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000034849560 569667253 /nfs/dbraw/zinc/66/72/53/569667253.db2.gz DRCQQQVMZQACSR-BDTNDASRSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1C ZINC000034879959 569668720 /nfs/dbraw/zinc/66/87/20/569668720.db2.gz MOWDFBKAJYQFDT-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C ZINC000034889991 569669314 /nfs/dbraw/zinc/66/93/14/569669314.db2.gz AQUMKEAPJINTNO-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM O=C(NC1CCCC1)[C@@H](c1ccc2ncccc2c1)N(Cc1cccs1)C(=O)c1ccc([O-])cc1 ZINC000035288787 569679529 /nfs/dbraw/zinc/67/95/29/569679529.db2.gz MEYDFHQXFMGGKV-AREMUKBSSA-N -1 3 485.609 5.444 40 0 JKABHM O=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(Cc1cccs1)C(=O)c1ccc([O-])cc1 ZINC000035288786 569679556 /nfs/dbraw/zinc/67/95/56/569679556.db2.gz MEYDFHQXFMGGKV-SANMLTNESA-N -1 3 485.609 5.444 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)c1 ZINC000035394625 569687299 /nfs/dbraw/zinc/68/72/99/569687299.db2.gz IODPPIJANFRRLS-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1cccc(Br)c1 ZINC000035395410 569687369 /nfs/dbraw/zinc/68/73/69/569687369.db2.gz BXDHTAJSJPKBIK-UHFFFAOYSA-N -1 3 459.081 5.031 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cccc(O)c1)CC(=O)O3 ZINC000079191305 569707197 /nfs/dbraw/zinc/70/71/97/569707197.db2.gz YMBWRXAYJBJLRR-JZIHBNFRSA-N -1 3 464.514 5.021 40 0 JKABHM Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000095346074 569722272 /nfs/dbraw/zinc/72/22/72/569722272.db2.gz YFEBEVINXQOVED-BDTNDASRSA-N -1 3 497.776 5.462 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c(C)c1 ZINC000097955192 569747677 /nfs/dbraw/zinc/74/76/77/569747677.db2.gz XIPBWSMXBRJSGS-VABKMULXSA-N -1 3 467.352 5.661 40 0 JKABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000100496661 569762464 /nfs/dbraw/zinc/76/24/64/569762464.db2.gz GXUHEPJLCPFTAK-VSKRKVRLSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1Cl ZINC000100845489 569772176 /nfs/dbraw/zinc/77/21/76/569772176.db2.gz UEOMMGWREDPZEA-BDTNDASRSA-N -1 3 497.776 5.462 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1Cl ZINC000100912591 569775409 /nfs/dbraw/zinc/77/54/09/569775409.db2.gz ONSLCKWIYPZTSG-BDTNDASRSA-N -1 3 453.325 5.353 40 0 JKABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000100931268 569776248 /nfs/dbraw/zinc/77/62/48/569776248.db2.gz HYGAUVLNAWWTMG-ONTIZHBOSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c(C)c1 ZINC000100949531 569777712 /nfs/dbraw/zinc/77/77/12/569777712.db2.gz WHEUFGRVKOTSBF-PKXQUSJVSA-N -1 3 462.549 5.816 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3Cc2ccccc2)cc1 ZINC000101030380 569780191 /nfs/dbraw/zinc/78/01/91/569780191.db2.gz IPFLJDRUQGGQBC-QKDODKLFSA-N -1 3 470.569 5.177 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000101039320 569780343 /nfs/dbraw/zinc/78/03/43/569780343.db2.gz ATXDEDKBOFKTTG-DSITVLBTSA-N -1 3 460.505 5.056 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000101038544 569780358 /nfs/dbraw/zinc/78/03/58/569780358.db2.gz ZJEZDPAHFJVQDT-SMIHKQSGSA-N -1 3 462.571 5.368 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000101075243 569781554 /nfs/dbraw/zinc/78/15/54/569781554.db2.gz QUZFCEYKBMIPLK-VSKRKVRLSA-N -1 3 487.770 6.006 40 0 JKABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000101087816 569782045 /nfs/dbraw/zinc/78/20/45/569782045.db2.gz LSOWSSNQULASJV-VABKMULXSA-N -1 3 499.350 5.062 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c(C)c1 ZINC000101101395 569782890 /nfs/dbraw/zinc/78/28/90/569782890.db2.gz HBQJJBSTVTVRNC-ZLNRFVROSA-N -1 3 477.358 5.117 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101130008 569783957 /nfs/dbraw/zinc/78/39/57/569783957.db2.gz HAJUGEUHVOQGPR-FSSWDIPSSA-N -1 3 484.499 5.478 40 0 JKABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000101145350 569784399 /nfs/dbraw/zinc/78/43/99/569784399.db2.gz ILMPGOMHZRFJFW-VABKMULXSA-N -1 3 483.351 5.443 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000101146212 569784544 /nfs/dbraw/zinc/78/45/44/569784544.db2.gz KPTSLMXGOYHPKY-PKTNWEFCSA-N -1 3 476.532 5.317 40 0 JKABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000101173328 569785985 /nfs/dbraw/zinc/78/59/85/569785985.db2.gz IXBALEIDQQGARE-BDTNDASRSA-N -1 3 469.324 5.053 40 0 JKABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000101176083 569786082 /nfs/dbraw/zinc/78/60/82/569786082.db2.gz GWYMEFLNMYFRLW-SDHOMARFSA-N -1 3 456.542 5.044 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000101220424 569787340 /nfs/dbraw/zinc/78/73/40/569787340.db2.gz CMEDXUQINCEJCE-PFBJBMPXSA-N -1 3 464.496 5.544 40 0 JKABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000101226941 569787563 /nfs/dbraw/zinc/78/75/63/569787563.db2.gz XXABJDWWKJLUQA-BDTNDASRSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000101231927 569787801 /nfs/dbraw/zinc/78/78/01/569787801.db2.gz PZQIEIGSQXECJF-VABKMULXSA-N -1 3 466.459 5.373 40 0 JKABHM Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C([O-])=C2ON1c1ccccc1 ZINC000101249755 569788057 /nfs/dbraw/zinc/78/80/57/569788057.db2.gz JKWILGWXNXPJPA-FKBYEOEOSA-N -1 3 452.432 5.065 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038177860 569800061 /nfs/dbraw/zinc/80/00/61/569800061.db2.gz ZJFVAKHOYMGCDT-UHFFFAOYSA-N -1 3 458.587 5.604 40 0 JKABHM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000038754102 569806671 /nfs/dbraw/zinc/80/66/71/569806671.db2.gz UMBKRXVGCAUSLU-JOCHJYFZSA-N -1 3 472.994 5.554 40 0 JKABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(Cl)c1 ZINC000038755162 569806947 /nfs/dbraw/zinc/80/69/47/569806947.db2.gz XGEGVBCUUCRQCG-UHFFFAOYSA-N -1 3 493.368 5.223 40 0 JKABHM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000038755589 569807090 /nfs/dbraw/zinc/80/70/90/569807090.db2.gz QZPPPXICYYTNKO-JOCHJYFZSA-N -1 3 475.035 5.959 40 0 JKABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl ZINC000038757130 569807381 /nfs/dbraw/zinc/80/73/81/569807381.db2.gz LMDIRHNLCBKMLJ-UHFFFAOYSA-N -1 3 493.368 5.223 40 0 JKABHM CCOc1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3CC(C)(C)CC(=O)[C@@H]32)cc(Br)c1[O-] ZINC000039379179 569809672 /nfs/dbraw/zinc/80/96/72/569809672.db2.gz GIGWQKKNWZZHDR-MUEKUWCCSA-N -1 3 494.429 6.962 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc2)c1 ZINC000039759995 569811510 /nfs/dbraw/zinc/81/15/10/569811510.db2.gz RZYDJSLUKGZTBM-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000039761513 569811649 /nfs/dbraw/zinc/81/16/49/569811649.db2.gz QMAWEYGQQTWUQF-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM Cc1ccc(C(=O)/N=c2/oc3ccc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)cc3s2)cc1 ZINC000102596364 569814440 /nfs/dbraw/zinc/81/44/40/569814440.db2.gz IINAPOIXOOIIEO-IZHYLOQSSA-N -1 3 466.584 5.270 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000102695045 569816029 /nfs/dbraw/zinc/81/60/29/569816029.db2.gz CIVBBXOPQCRVEW-ACRUOGEOSA-N -1 3 483.749 5.154 40 0 JKABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706252 569816366 /nfs/dbraw/zinc/81/63/66/569816366.db2.gz HYGAUVLNAWWTMG-RZUBCFFCSA-N -1 3 469.324 5.053 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706546 569816701 /nfs/dbraw/zinc/81/67/01/569816701.db2.gz COTZMDSNSBKJSY-DSITVLBTSA-N -1 3 489.358 6.198 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707843 569816729 /nfs/dbraw/zinc/81/67/29/569816729.db2.gz AFWXVGVLMNSEKH-DSITVLBTSA-N -1 3 488.465 5.910 40 0 JKABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102727106 569817736 /nfs/dbraw/zinc/81/77/36/569817736.db2.gz XQOMMHZCPXMMNP-RJGXRXQPSA-N -1 3 499.350 5.062 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3[C@@]2(CC)CCC(CC)=CO2)cc1 ZINC000102724780 569817820 /nfs/dbraw/zinc/81/78/20/569817820.db2.gz QJZAAVNLNNRBFQ-QPPCPWFDSA-N -1 3 490.600 5.407 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000102732738 569818287 /nfs/dbraw/zinc/81/82/87/569818287.db2.gz GSCIUQJEBZPKDM-NJYVYQBISA-N -1 3 473.743 5.698 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000102732309 569818293 /nfs/dbraw/zinc/81/82/93/569818293.db2.gz LODGTGWMDUNYSX-ACRUOGEOSA-N -1 3 483.749 5.154 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000102732735 569818333 /nfs/dbraw/zinc/81/83/33/569818333.db2.gz GSCIUQJEBZPKDM-HBMCJLEFSA-N -1 3 473.743 5.698 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102735138 569818673 /nfs/dbraw/zinc/81/86/73/569818673.db2.gz UWLGEGGSZYIQSL-ACRUOGEOSA-N -1 3 473.743 5.698 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102734554 569818715 /nfs/dbraw/zinc/81/87/15/569818715.db2.gz GZLGLBXVRQSDAT-RZUBCFFCSA-N -1 3 453.325 5.353 40 0 JKABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102740025 569819201 /nfs/dbraw/zinc/81/92/01/569819201.db2.gz HRXCMALIDFAQLU-UODIDJSMSA-N -1 3 490.531 5.064 40 0 JKABHM CCOc1cc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102753224 569821086 /nfs/dbraw/zinc/82/10/86/569821086.db2.gz LBUYNAOGDHTSOT-FUPPJEDESA-N -1 3 499.350 5.149 40 0 JKABHM Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102755040 569821415 /nfs/dbraw/zinc/82/14/15/569821415.db2.gz ZJLRIAFKGZDUFS-KMDXXIMOSA-N -1 3 492.362 5.834 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102760642 569822095 /nfs/dbraw/zinc/82/20/95/569822095.db2.gz ZYRXTCLITDHOAN-NJYVYQBISA-N -1 3 488.849 5.290 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000102763171 569822486 /nfs/dbraw/zinc/82/24/86/569822486.db2.gz VMZODESNPGWALM-HBMCJLEFSA-N -1 3 472.850 5.410 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(C(F)(F)F)c1 ZINC000102765907 569822855 /nfs/dbraw/zinc/82/28/55/569822855.db2.gz IDXWPVHIESARKE-HKBOAZHASA-N -1 3 472.850 5.410 40 0 JKABHM O=C([N-]n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1ccc(Cl)cc1Cl ZINC000040397369 569825819 /nfs/dbraw/zinc/82/58/19/569825819.db2.gz YWOFMQKAVYBSJO-UHFFFAOYSA-N -1 3 484.730 5.055 40 0 JKABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106736891 569855297 /nfs/dbraw/zinc/85/52/97/569855297.db2.gz RUMZKGDNJMZRCK-CHHVJCJISA-N -1 3 489.693 5.026 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)c1 ZINC000107810666 569857464 /nfs/dbraw/zinc/85/74/64/569857464.db2.gz CDJPTQSOSFYNFR-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000107930787 569857958 /nfs/dbraw/zinc/85/79/58/569857958.db2.gz UTIYQDAZXLUTCE-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000107972026 569858141 /nfs/dbraw/zinc/85/81/41/569858141.db2.gz CEKNXBCXOQFMMI-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000108100588 569858566 /nfs/dbraw/zinc/85/85/66/569858566.db2.gz LQWMMMBBKOCZBR-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)cc1C ZINC000108100109 569858578 /nfs/dbraw/zinc/85/85/78/569858578.db2.gz YNHXOYMHRMGJJY-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000108200377 569859071 /nfs/dbraw/zinc/85/90/71/569859071.db2.gz LGODDZBSYBOISV-UHFFFAOYSA-N -1 3 472.994 5.283 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000108222656 569859109 /nfs/dbraw/zinc/85/91/09/569859109.db2.gz SDVXHXMLXXPGLT-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1C ZINC000108234388 569859151 /nfs/dbraw/zinc/85/91/51/569859151.db2.gz GSONJYRGYSXYAZ-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000136535129 569864657 /nfs/dbraw/zinc/86/46/57/569864657.db2.gz POLMJDIEAXQIPX-FDFHNCONSA-N -1 3 484.499 5.478 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000170621089 569873182 /nfs/dbraw/zinc/87/31/82/569873182.db2.gz YZAWMMKIZCUHBP-ACRUOGEOSA-N -1 3 490.840 5.549 40 0 JKABHM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Br)c1[O-] ZINC000214122506 569876328 /nfs/dbraw/zinc/87/63/28/569876328.db2.gz BKTHGNBHAZMBQI-OVCLIPMQSA-N -1 3 454.729 5.053 40 0 JKABHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Br)c1[O-] ZINC000214084880 569876358 /nfs/dbraw/zinc/87/63/58/569876358.db2.gz GYWXVHGSDMUFMD-CXUHLZMHSA-N -1 3 468.756 5.443 40 0 JKABHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000216425502 569878758 /nfs/dbraw/zinc/87/87/58/569878758.db2.gz NHPFOOWTKNVQIF-QFIPXVFZSA-N -1 3 493.412 5.899 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)cc1Cl ZINC000222739012 569889993 /nfs/dbraw/zinc/88/99/93/569889993.db2.gz ZCNOAXLIKJRHCP-UHFFFAOYSA-N -1 3 487.990 5.076 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)c(C)c2)cc1C ZINC000222810532 569891675 /nfs/dbraw/zinc/89/16/75/569891675.db2.gz LWXZFVYADNAOFT-UHFFFAOYSA-N -1 3 481.599 5.040 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2Cl)cc1 ZINC000224410573 569943726 /nfs/dbraw/zinc/94/37/26/569943726.db2.gz AMTIFUHUSWHMEM-UHFFFAOYSA-N -1 3 490.968 6.601 40 0 JKABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(C)cc1C ZINC000224492290 569946119 /nfs/dbraw/zinc/94/61/19/569946119.db2.gz PSBLLPRTTISAEF-QGZVFWFLSA-N -1 3 499.445 5.144 40 0 JKABHM Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224593159 569949819 /nfs/dbraw/zinc/94/98/19/569949819.db2.gz ZTPSDEXQXDPJFU-IZZNHLLZSA-N -1 3 489.044 6.334 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224595996 569949909 /nfs/dbraw/zinc/94/99/09/569949909.db2.gz QCEQZGYZAKFSNX-PKTZIBPZSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000224594760 569949918 /nfs/dbraw/zinc/94/99/18/569949918.db2.gz OIXGPRUNAIXEBS-XZOQPEGZSA-N -1 3 469.595 5.365 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000224596649 569949962 /nfs/dbraw/zinc/94/99/62/569949962.db2.gz OLAPJVDLRRFQPI-XZOQPEGZSA-N -1 3 481.408 6.062 40 0 JKABHM Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224599057 569950080 /nfs/dbraw/zinc/95/00/80/569950080.db2.gz QTVKZSFACSECJD-DNQXCXABSA-N -1 3 459.596 6.017 40 0 JKABHM Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224599155 569950084 /nfs/dbraw/zinc/95/00/84/569950084.db2.gz QTVKZSFACSECJD-BJKOFHAPSA-N -1 3 459.596 6.017 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccccc1 ZINC000224600866 569950155 /nfs/dbraw/zinc/95/01/55/569950155.db2.gz ACOHBFQBRVNEGZ-UIOOFZCWSA-N -1 3 454.599 5.431 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccccc1 ZINC000224600820 569950157 /nfs/dbraw/zinc/95/01/57/569950157.db2.gz ACOHBFQBRVNEGZ-IZZNHLLZSA-N -1 3 454.599 5.431 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000224612446 569950700 /nfs/dbraw/zinc/95/07/00/569950700.db2.gz GRADUQSDCBGIAI-GOTSBHOMSA-N -1 3 491.414 5.518 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000224612709 569950738 /nfs/dbraw/zinc/95/07/38/569950738.db2.gz BIGJXPSBISREAN-PKTZIBPZSA-N -1 3 491.414 5.518 40 0 JKABHM Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])ccc1Cl ZINC000224614784 569950806 /nfs/dbraw/zinc/95/08/06/569950806.db2.gz FNGQYTJNGZYFAV-RPWUZVMVSA-N -1 3 460.990 5.717 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000224615192 569950883 /nfs/dbraw/zinc/95/08/83/569950883.db2.gz NLPNBCYOMJRLNG-SXOMAYOGSA-N -1 3 462.578 5.908 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000224615776 569950904 /nfs/dbraw/zinc/95/09/04/569950904.db2.gz VJWJFKOFIBBADL-GOTSBHOMSA-N -1 3 480.014 6.362 40 0 JKABHM CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224617038 569950959 /nfs/dbraw/zinc/95/09/59/569950959.db2.gz MNQOVGJQOHHNPZ-JWQCQUIFSA-N -1 3 457.555 5.623 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000224616769 569950979 /nfs/dbraw/zinc/95/09/79/569950979.db2.gz CEQIXDRMXQISLB-DHIUTWEWSA-N -1 3 492.398 5.987 40 0 JKABHM Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224618727 569950994 /nfs/dbraw/zinc/95/09/94/569950994.db2.gz WYMWESUETDYYPT-BJKOFHAPSA-N -1 3 461.974 6.186 40 0 JKABHM Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224618638 569951033 /nfs/dbraw/zinc/95/10/33/569951033.db2.gz WYMWESUETDYYPT-DNQXCXABSA-N -1 3 461.974 6.186 40 0 JKABHM COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224624208 569951310 /nfs/dbraw/zinc/95/13/10/569951310.db2.gz QFVYWHLJJXXPAW-ZEQRLZLVSA-N -1 3 471.538 5.011 40 0 JKABHM COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224624282 569951321 /nfs/dbraw/zinc/95/13/21/569951321.db2.gz UCZGDCIVVMAKJR-DNQXCXABSA-N -1 3 471.538 5.011 40 0 JKABHM COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224624388 569951332 /nfs/dbraw/zinc/95/13/32/569951332.db2.gz UCZGDCIVVMAKJR-BJKOFHAPSA-N -1 3 471.538 5.011 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000224859488 569960534 /nfs/dbraw/zinc/96/05/34/569960534.db2.gz FCZJMPSPEHDKGD-SJORKVTESA-N -1 3 466.813 5.442 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1cccnc1 ZINC000224861613 569960591 /nfs/dbraw/zinc/96/05/91/569960591.db2.gz PKGJXMZMAGPUFZ-LOSJGSFVSA-N -1 3 490.032 5.479 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000224859751 569960614 /nfs/dbraw/zinc/96/06/14/569960614.db2.gz QUSLSSIPLHVAEF-IAGOWNOFSA-N -1 3 466.813 5.442 40 0 JKABHM Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])nc1 ZINC000224862187 569960653 /nfs/dbraw/zinc/96/06/53/569960653.db2.gz VVKYNRUBZIULJX-GOTSBHOMSA-N -1 3 461.978 5.112 40 0 JKABHM Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224864242 569960720 /nfs/dbraw/zinc/96/07/20/569960720.db2.gz IISQDSYKTWVTJI-BJKOFHAPSA-N -1 3 460.990 5.717 40 0 JKABHM COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224863757 569960724 /nfs/dbraw/zinc/96/07/24/569960724.db2.gz DROQPNPNOQYWQL-ZEQRLZLVSA-N -1 3 476.989 5.417 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CCCC1 ZINC000224866918 569960833 /nfs/dbraw/zinc/96/08/33/569960833.db2.gz WJLRFKQCISIQNL-RPWUZVMVSA-N -1 3 467.038 6.151 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000224876064 569961269 /nfs/dbraw/zinc/96/12/69/569961269.db2.gz BOOMJMPIDSMIJL-XZOQPEGZSA-N -1 3 453.011 5.924 40 0 JKABHM CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224876793 569961328 /nfs/dbraw/zinc/96/13/28/569961328.db2.gz QRNZLDSLIPWKOV-DQEYMECFSA-N -1 3 490.032 5.474 40 0 JKABHM COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224878151 569961396 /nfs/dbraw/zinc/96/13/96/569961396.db2.gz NAHAAJIQHAOYEZ-RPWUZVMVSA-N -1 3 476.989 5.417 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000224877100 569961404 /nfs/dbraw/zinc/96/14/04/569961404.db2.gz YEPNFMQNXPOASS-XZOQPEGZSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000224877251 569961452 /nfs/dbraw/zinc/96/14/52/569961452.db2.gz HLXDEYIVCFHSFW-PKTZIBPZSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000224880302 569961632 /nfs/dbraw/zinc/96/16/32/569961632.db2.gz OLJQXJPLURXMPI-PKTZIBPZSA-N -1 3 480.014 6.362 40 0 JKABHM CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224881504 569961682 /nfs/dbraw/zinc/96/16/82/569961682.db2.gz SDZHQYDKQVYPIL-LOSJGSFVSA-N -1 3 492.000 6.276 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000224881044 569961705 /nfs/dbraw/zinc/96/17/05/569961705.db2.gz UCJUXEPIISANSE-DHIUTWEWSA-N -1 3 482.392 6.531 40 0 JKABHM Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224882937 569961774 /nfs/dbraw/zinc/96/17/74/569961774.db2.gz RQNJUALVQUPYEK-BJKOFHAPSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224885953 569961938 /nfs/dbraw/zinc/96/19/38/569961938.db2.gz CCNADLNGJALQDX-FTJBHMTQSA-N -1 3 489.044 6.334 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000224963995 569965498 /nfs/dbraw/zinc/96/54/98/569965498.db2.gz NLHIEMSBZFHAJP-UHFFFAOYSA-N -1 3 487.691 5.072 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000224964039 569965525 /nfs/dbraw/zinc/96/55/25/569965525.db2.gz YDWORBVKAFWAPR-UHFFFAOYSA-N -1 3 487.691 5.216 40 0 JKABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408595187 569965959 /nfs/dbraw/zinc/96/59/59/569965959.db2.gz UEJYBNAPIULJSH-UHFFFAOYSA-N -1 3 480.970 5.019 40 0 JKABHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595269 569966113 /nfs/dbraw/zinc/96/61/13/569966113.db2.gz UQBGIXGSKCDPQV-LJQANCHMSA-N -1 3 458.624 5.135 40 0 JKABHM O=C(Nc1cccc2ccccc21)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408595411 569966125 /nfs/dbraw/zinc/96/61/25/569966125.db2.gz QECPZRZUSKOCFD-HSZRJFAPSA-N -1 3 499.419 5.675 40 0 JKABHM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224973631 569966274 /nfs/dbraw/zinc/96/62/74/569966274.db2.gz CXXBEISQHMWZEZ-UHFFFAOYSA-N -1 3 460.530 5.475 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000224973685 569966313 /nfs/dbraw/zinc/96/63/13/569966313.db2.gz FECWDHUYLKUGQG-UHFFFAOYSA-N -1 3 472.566 5.344 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000224974175 569966465 /nfs/dbraw/zinc/96/64/65/569966465.db2.gz PJSCTNHWQKOQOW-UHFFFAOYSA-N -1 3 456.567 5.644 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1Cl ZINC000408597585 569967541 /nfs/dbraw/zinc/96/75/41/569967541.db2.gz ZMOSGVMPEQMIER-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000408598073 569967786 /nfs/dbraw/zinc/96/77/86/569967786.db2.gz ZKDXIQZIKWQXIT-CQSZACIVSA-N -1 3 490.412 5.427 40 0 JKABHM CSc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408600656 569968628 /nfs/dbraw/zinc/96/86/28/569968628.db2.gz BTUHRLYWCSFOHP-IBGZPJMESA-N -1 3 495.453 5.244 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408610749 569972534 /nfs/dbraw/zinc/97/25/34/569972534.db2.gz VOXSWANEOIMNIQ-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408612733 569973225 /nfs/dbraw/zinc/97/32/25/569973225.db2.gz YOCCHVXAUXWYMP-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408613819 569973500 /nfs/dbraw/zinc/97/35/00/569973500.db2.gz VYFMUPSYDIZWAU-HXUWFJFHSA-N -1 3 494.613 5.496 40 0 JKABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408613818 569973553 /nfs/dbraw/zinc/97/35/53/569973553.db2.gz VYFMUPSYDIZWAU-FQEVSTJZSA-N -1 3 494.613 5.496 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1NC(=O)c1ccccc1 ZINC000408616594 569975733 /nfs/dbraw/zinc/97/57/33/569975733.db2.gz AJHVGMAUOVAJCQ-UHFFFAOYSA-N -1 3 458.539 5.840 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408617959 569976547 /nfs/dbraw/zinc/97/65/47/569976547.db2.gz FGFSXLLBFJJZGP-UHFFFAOYSA-N -1 3 497.773 5.603 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)c(Cl)c2)cc1 ZINC000408621433 569978324 /nfs/dbraw/zinc/97/83/24/569978324.db2.gz LHINXSSGCKLONS-UHFFFAOYSA-N -1 3 495.041 5.147 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 ZINC000408624688 569979806 /nfs/dbraw/zinc/97/98/06/569979806.db2.gz RDOJWYRFQYKFIW-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1Cl ZINC000408625221 569980091 /nfs/dbraw/zinc/98/00/91/569980091.db2.gz RLSSXRVBTURGAA-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)c(C)c2)cc1 ZINC000408674638 570009328 /nfs/dbraw/zinc/00/93/28/570009328.db2.gz DGGIQKXYINCNGM-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1C ZINC000225612990 570009517 /nfs/dbraw/zinc/00/95/17/570009517.db2.gz JMANGPOQSCZXPY-UHFFFAOYSA-N -1 3 466.603 5.663 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(C)c2)cc1 ZINC000408674790 570009530 /nfs/dbraw/zinc/00/95/30/570009530.db2.gz HSZFGGFSQJZUHL-UHFFFAOYSA-N -1 3 492.956 5.005 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2C)cc1 ZINC000408674828 570009558 /nfs/dbraw/zinc/00/95/58/570009558.db2.gz JEAXFNRXVAZDQL-UHFFFAOYSA-N -1 3 496.629 5.555 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(C)c2)cc1 ZINC000408674831 570009590 /nfs/dbraw/zinc/00/95/90/570009590.db2.gz JGDPJXCYENXUNH-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408674967 570009683 /nfs/dbraw/zinc/00/96/83/570009683.db2.gz FNDQFPOWKUVWBX-UHFFFAOYSA-N -1 3 470.566 5.077 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1Cl ZINC000408674951 570009746 /nfs/dbraw/zinc/00/97/46/570009746.db2.gz FJPUAHXUFVUUJB-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(C)c2)cc1 ZINC000408675045 570009849 /nfs/dbraw/zinc/00/98/49/570009849.db2.gz PSDJDELFJIFPFO-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000408675107 570009976 /nfs/dbraw/zinc/00/99/76/570009976.db2.gz GLEROXNXNRJYQD-UHFFFAOYSA-N -1 3 486.593 5.080 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c(C)c2)cc1 ZINC000408675118 570009989 /nfs/dbraw/zinc/00/99/89/570009989.db2.gz SGQYUWKWIXKXPF-UHFFFAOYSA-N -1 3 482.602 5.335 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408675088 570010018 /nfs/dbraw/zinc/01/00/18/570010018.db2.gz GJNUAZWUANJYGM-UHFFFAOYSA-N -1 3 472.994 5.338 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000408675282 570010084 /nfs/dbraw/zinc/01/00/84/570010084.db2.gz UUIVASKLAWUQEV-UHFFFAOYSA-N -1 3 480.630 5.555 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000408675324 570010117 /nfs/dbraw/zinc/01/01/17/570010117.db2.gz HNQWFXWVOSUFTD-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1C ZINC000408675396 570010259 /nfs/dbraw/zinc/01/02/59/570010259.db2.gz XUPGMJDIHPZEIN-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408675582 570010437 /nfs/dbraw/zinc/01/04/37/570010437.db2.gz JFNINXKCSRIEKN-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408677263 570010836 /nfs/dbraw/zinc/01/08/36/570010836.db2.gz BVTQUAHRDOFOJO-FQEVSTJZSA-N -1 3 479.385 5.590 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cc2)cc1C ZINC000408677277 570010965 /nfs/dbraw/zinc/01/09/65/570010965.db2.gz BDCPBFXSHRSCQE-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1 ZINC000408678279 570011253 /nfs/dbraw/zinc/01/12/53/570011253.db2.gz DYKDMAXHJGURNY-UHFFFAOYSA-N -1 3 454.617 5.857 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1c(C)cccc1C(C)C ZINC000408678639 570011386 /nfs/dbraw/zinc/01/13/86/570011386.db2.gz UDVLZQPTQLQVTJ-UHFFFAOYSA-N -1 3 470.566 5.384 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1C ZINC000408678904 570011468 /nfs/dbraw/zinc/01/14/68/570011468.db2.gz JPPJFCIXUXJRBG-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408679306 570011694 /nfs/dbraw/zinc/01/16/94/570011694.db2.gz VURQBXAEMVSYSA-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408679714 570011824 /nfs/dbraw/zinc/01/18/24/570011824.db2.gz KDPGCOYKLGNFPT-UHFFFAOYSA-N -1 3 472.994 5.456 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCC)cc2)cc1 ZINC000408679565 570011830 /nfs/dbraw/zinc/01/18/30/570011830.db2.gz NWTGEXFOZTXYIQ-UHFFFAOYSA-N -1 3 456.589 5.250 40 0 JKABHM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408679533 570011865 /nfs/dbraw/zinc/01/18/65/570011865.db2.gz NKAATSQCLFKKCC-QHCPKHFHSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000408680002 570011975 /nfs/dbraw/zinc/01/19/75/570011975.db2.gz XOFAXAMUTDWVHE-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408680449 570012217 /nfs/dbraw/zinc/01/22/17/570012217.db2.gz ZAXKFWIDVDCMAA-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000408680637 570012314 /nfs/dbraw/zinc/01/23/14/570012314.db2.gz ONYJBZBVOHJKOC-QFIPXVFZSA-N -1 3 458.967 5.245 40 0 JKABHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)=C([O-])c2ccc(Br)cc2)cc1 ZINC000408681649 570012543 /nfs/dbraw/zinc/01/25/43/570012543.db2.gz HYQKVZRSOVFDTJ-QFIPXVFZSA-N -1 3 471.372 5.056 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1C ZINC000408681311 570012591 /nfs/dbraw/zinc/01/25/91/570012591.db2.gz RRRKCPRZLNRLQN-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408682577 570013008 /nfs/dbraw/zinc/01/30/08/570013008.db2.gz ZJWCRBYPNAOUDY-UHFFFAOYSA-N -1 3 495.453 6.547 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000408694196 570016779 /nfs/dbraw/zinc/01/67/79/570016779.db2.gz FHBHPGRPZGCUEK-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408694150 570016781 /nfs/dbraw/zinc/01/67/81/570016781.db2.gz CTYBHWJQCVRIRV-HNNXBMFYSA-N -1 3 479.385 5.509 40 0 JKABHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408694956 570017447 /nfs/dbraw/zinc/01/74/47/570017447.db2.gz LIEVSHBRXFBWAX-LJQANCHMSA-N -1 3 497.375 5.729 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc2n1Cc1ccccc1 ZINC000225744279 570019237 /nfs/dbraw/zinc/01/92/37/570019237.db2.gz ICWUUNOPQJPXIG-UHFFFAOYSA-N -1 3 465.383 5.219 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc2n1Cc1ccc(Cl)cc1 ZINC000225782642 570021387 /nfs/dbraw/zinc/02/13/87/570021387.db2.gz JEHRFCQTYRXLOJ-UHFFFAOYSA-N -1 3 465.383 5.219 40 0 JKABHM O=C([N-]c1ccc(Br)cc1F)c1snnc1-c1ccc(Br)cc1 ZINC000225783982 570021456 /nfs/dbraw/zinc/02/14/56/570021456.db2.gz RTCSCNALMWZOIT-UHFFFAOYSA-N -1 3 457.122 5.122 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc2n1Cc1ccccc1Cl ZINC000225797677 570022213 /nfs/dbraw/zinc/02/22/13/570022213.db2.gz VBTIFWMUGVIQQW-UHFFFAOYSA-N -1 3 499.828 5.872 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000408703373 570023267 /nfs/dbraw/zinc/02/32/67/570023267.db2.gz QNNWWLQUXQPBGV-UHFFFAOYSA-N -1 3 472.994 5.555 40 0 JKABHM COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc(Cl)c1[O-] ZINC000408810237 570048921 /nfs/dbraw/zinc/04/89/21/570048921.db2.gz ILLOEIGPIGFPHN-APUJPAGKSA-N -1 3 458.003 6.108 40 0 JKABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408869620 570059161 /nfs/dbraw/zinc/05/91/61/570059161.db2.gz SMWBUHIDLINXTE-DEOSSOPVSA-N -1 3 490.581 5.317 40 0 JKABHM O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408905953 570070720 /nfs/dbraw/zinc/07/07/20/570070720.db2.gz BHILSLQYVUEROS-UHFFFAOYSA-N -1 3 467.399 5.525 40 0 JKABHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000408907149 570071132 /nfs/dbraw/zinc/07/11/32/570071132.db2.gz LLTBLCPCEHZMCP-UHFFFAOYSA-N -1 3 452.388 5.603 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1C ZINC000408910837 570072593 /nfs/dbraw/zinc/07/25/93/570072593.db2.gz LRPIUMHKJNTIRQ-LFYBBSHMSA-N -1 3 475.397 6.063 40 0 JKABHM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000408920656 570077003 /nfs/dbraw/zinc/07/70/03/570077003.db2.gz LZTWVMCIRFHOLQ-UHFFFAOYSA-N -1 3 468.644 5.593 40 0 JKABHM Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408921677 570077362 /nfs/dbraw/zinc/07/73/62/570077362.db2.gz UMPRBCFFCLRIOP-UHFFFAOYSA-N -1 3 454.617 5.285 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccc(Cl)cc3)cc2)cc1 ZINC000408923321 570077792 /nfs/dbraw/zinc/07/77/92/570077792.db2.gz BPGJTFNSAKISOD-UHFFFAOYSA-N -1 3 477.007 5.270 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cccc(Cl)c1 ZINC000408926964 570078760 /nfs/dbraw/zinc/07/87/60/570078760.db2.gz WVLCIQFVOYAMFF-UHFFFAOYSA-N -1 3 455.750 5.700 40 0 JKABHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408953104 570084434 /nfs/dbraw/zinc/08/44/34/570084434.db2.gz LNYCZFHBZIHZAX-KPZWWZAWSA-N -1 3 455.304 5.570 40 0 JKABHM CC(C)CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000408955906 570084868 /nfs/dbraw/zinc/08/48/68/570084868.db2.gz PPKCWSDIZPKGJU-RUZDIDTESA-N -1 3 476.539 5.667 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000408958553 570085141 /nfs/dbraw/zinc/08/51/41/570085141.db2.gz YYVVXVWNQJXSTO-GBXCKJPGSA-N -1 3 460.496 5.031 40 0 JKABHM O=C1[N-][C@H](c2ccc(OCc3ccccc3Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000408975454 570089657 /nfs/dbraw/zinc/08/96/57/570089657.db2.gz KMZXTNVVUBPRCK-OAQYLSRUSA-N -1 3 480.014 6.355 40 0 JKABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc(I)c1OC ZINC000408988617 570093253 /nfs/dbraw/zinc/09/32/53/570093253.db2.gz IOHVIFPDFHBOIV-UHFFFAOYSA-N -1 3 496.370 5.345 40 0 JKABHM O=c1[n-]c(-c2ccc(-c3ccc(Br)cc3)o2)nc2sc3c(c21)CCCCCC3 ZINC000408992850 570094591 /nfs/dbraw/zinc/09/45/91/570094591.db2.gz USLVEVUHKMHQFJ-UHFFFAOYSA-N -1 3 455.377 6.745 40 0 JKABHM COc1cccc2c1OC(C)(C)[C@H]1CC[C@H](C3CCN(Cc4ccc(OCC(=O)[O-])cc4)CC3)O[C@H]21 ZINC000257206806 570110014 /nfs/dbraw/zinc/11/00/14/570110014.db2.gz BEYBJBJEPKCXOI-CLCZQPDDSA-N -1 3 495.616 5.078 40 0 JKABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257211203 570111449 /nfs/dbraw/zinc/11/14/49/570111449.db2.gz BXWWJEPLNVPFPJ-OAQYLSRUSA-N -1 3 460.921 5.059 40 0 JKABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)N2 ZINC000409055316 570111509 /nfs/dbraw/zinc/11/15/09/570111509.db2.gz KVMAYOAHJFAIPR-FTGWLVSGSA-N -1 3 474.523 5.277 40 0 JKABHM CC1(C)Oc2ccccc2[C@H]2OC[C@@]3(CCCN3Cc3ccc(-c4ccc(C(=O)[O-])c(O)c4)o3)C[C@@H]21 ZINC000257212886 570111927 /nfs/dbraw/zinc/11/19/27/570111927.db2.gz CFIUVZUGBDWZQJ-GZWANVBQSA-N -1 3 489.568 5.634 40 0 JKABHM C[C@]12C[C@@H](c3ccccc3)N(Cc3ccc(-c4ccc(C(=O)[O-])c(O)c4)o3)[C@H]1CCCCC(=O)N2 ZINC000257213607 570112201 /nfs/dbraw/zinc/11/22/01/570112201.db2.gz CIHPUNQTVBMGAK-ULNCZQIZSA-N -1 3 474.557 5.115 40 0 JKABHM COc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCCN3Cc3ccc(/C=C/C(=O)[O-])cc3)O[C@@H]21 ZINC000257244766 570121484 /nfs/dbraw/zinc/12/14/84/570121484.db2.gz IMRMIUKYAPMXGV-DGUAAQPYSA-N -1 3 463.574 5.075 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(C[C@@H](C(C)(C)C)CC2)[C@@]1([O-])C(F)(F)F ZINC000409085493 570123054 /nfs/dbraw/zinc/12/30/54/570123054.db2.gz DAMYSSOBDOJQCP-WKQBDYJTSA-N -1 3 481.342 5.672 40 0 JKABHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)c1 ZINC000409096903 570126944 /nfs/dbraw/zinc/12/69/44/570126944.db2.gz FFGITMJJOZETCR-XAEMIUIASA-N -1 3 454.533 5.409 40 0 JKABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCCN(Cc4ccccc4OCC(=O)[O-])[C@@H]3C[C@H]21 ZINC000257274378 570130910 /nfs/dbraw/zinc/13/09/10/570130910.db2.gz NKUDJAZDRDDGQB-BBLPPJRLSA-N -1 3 471.981 5.085 40 0 JKABHM CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(I)c1[O-] ZINC000409115858 570133996 /nfs/dbraw/zinc/13/39/96/570133996.db2.gz HVJTVRMYXWVCID-UHFFFAOYSA-N -1 3 461.299 5.800 40 0 JKABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CCN(Cc4ccccc4OCC(=O)[O-])CC3)C[C@@H]21 ZINC000257319370 570144180 /nfs/dbraw/zinc/14/41/80/570144180.db2.gz VSCOMHYZVLUMKE-SQJMNOBHSA-N -1 3 486.008 5.334 40 0 JKABHM CCOc1c(Br)cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1Br ZINC000409257543 570187063 /nfs/dbraw/zinc/18/70/63/570187063.db2.gz SRWPZDVEZIPVCX-UHFFFAOYSA-N -1 3 484.213 5.866 40 0 JKABHM CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3[C@H](CCCN3Cc3ccc(/C=C/C(=O)[O-])cc3)O[C@H]21 ZINC000257335538 570149170 /nfs/dbraw/zinc/14/91/70/570149170.db2.gz YKPNACNUBZFFRY-PHYYKPBBSA-N -1 3 477.601 5.465 40 0 JKABHM CCC(=O)N[C@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2cccc(Cl)c2)C1 ZINC000257344402 570151696 /nfs/dbraw/zinc/15/16/96/570151696.db2.gz ZXBGUTOQHMYPNP-ZVDOUQERSA-N -1 3 452.776 5.686 40 0 JKABHM COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc(Cl)c1[O-] ZINC000409168629 570154186 /nfs/dbraw/zinc/15/41/86/570154186.db2.gz NGCRCAKLARTMGP-NVNXTCNLSA-N -1 3 454.729 5.053 40 0 JKABHM Cc1ccc(-c2ccc(/C=C3\[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)c(Br)c1 ZINC000409174453 570156286 /nfs/dbraw/zinc/15/62/86/570156286.db2.gz UHNKCLFQKCZCJS-WQRHYEAKSA-N -1 3 457.711 5.768 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409174648 570156311 /nfs/dbraw/zinc/15/63/11/570156311.db2.gz WKVDDNZZDOQMSS-WLRTZDKTSA-N -1 3 461.370 5.755 40 0 JKABHM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000409179563 570158416 /nfs/dbraw/zinc/15/84/16/570158416.db2.gz RJUDIPKTLUHMFB-IBGZPJMESA-N -1 3 454.617 5.532 40 0 JKABHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409181123 570159189 /nfs/dbraw/zinc/15/91/89/570159189.db2.gz WYSNBDKWUZBQKS-OAHLLOKOSA-N -1 3 495.453 6.222 40 0 JKABHM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000409183249 570160194 /nfs/dbraw/zinc/16/01/94/570160194.db2.gz SZUWWIFUBNXHKR-LFYBBSHMSA-N -1 3 481.788 6.100 40 0 JKABHM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Cl)c([O-])c(OCC)c1 ZINC000261362836 570167721 /nfs/dbraw/zinc/16/77/21/570167721.db2.gz MQBPKRSPWRAUOE-OAQYLSRUSA-O -1 3 474.006 5.149 40 0 JKABHM O=C(Oc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1)c1ccc(Cl)cc1Cl ZINC000409254753 570186638 /nfs/dbraw/zinc/18/66/38/570186638.db2.gz FLCTYNCQBMDAQP-UHFFFAOYSA-N -1 3 471.365 6.469 40 0 JKABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408541619 570191646 /nfs/dbraw/zinc/19/16/46/570191646.db2.gz CKCWLGGWOYVNHC-UHFFFAOYSA-N -1 3 497.374 5.463 40 0 JKABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408541619 570191647 /nfs/dbraw/zinc/19/16/47/570191647.db2.gz CKCWLGGWOYVNHC-UHFFFAOYSA-N -1 3 497.374 5.463 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3[O-])nnc2-c2ccccc2O)c(C)c1 ZINC000408542845 570192008 /nfs/dbraw/zinc/19/20/08/570192008.db2.gz LDXLNHVMUHYDAZ-UHFFFAOYSA-N -1 3 480.977 5.347 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccccc1C(F)F ZINC000408543391 570192076 /nfs/dbraw/zinc/19/20/76/570192076.db2.gz ORCFOJGVWQGNHY-UHFFFAOYSA-N -1 3 452.486 5.308 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408545454 570192798 /nfs/dbraw/zinc/19/27/98/570192798.db2.gz QULSOSIGSNFOAY-FXAWDEMLSA-N -1 3 450.608 5.044 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)c1 ZINC000408550212 570194904 /nfs/dbraw/zinc/19/49/04/570194904.db2.gz BMDMTXGUDFOEJZ-UHFFFAOYSA-N -1 3 466.603 5.554 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552532 570195535 /nfs/dbraw/zinc/19/55/35/570195535.db2.gz QNUPSNTWPMNLCW-UHFFFAOYSA-N -1 3 458.967 5.525 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408553932 570196007 /nfs/dbraw/zinc/19/60/07/570196007.db2.gz AEMBNQNWUQERMK-UHFFFAOYSA-N -1 3 479.385 5.754 40 0 JKABHM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408554376 570196213 /nfs/dbraw/zinc/19/62/13/570196213.db2.gz RTJQSLROGNTQEL-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555188 570196715 /nfs/dbraw/zinc/19/67/15/570196715.db2.gz FFBDWXHWCDWPNE-UHFFFAOYSA-N -1 3 499.803 6.099 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408555207 570196731 /nfs/dbraw/zinc/19/67/31/570196731.db2.gz FIPBUNGVJHVZRC-UHFFFAOYSA-N -1 3 487.021 6.224 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1Cl ZINC000408555937 570197061 /nfs/dbraw/zinc/19/70/61/570197061.db2.gz XWJIIVPDLSPTHJ-UHFFFAOYSA-N -1 3 488.993 5.290 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408556614 570197504 /nfs/dbraw/zinc/19/75/04/570197504.db2.gz ITWJTOQDKRADII-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1F ZINC000408556822 570197869 /nfs/dbraw/zinc/19/78/69/570197869.db2.gz KCBAKHUMYCWDAT-UHFFFAOYSA-N -1 3 483.348 5.584 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557151 570198105 /nfs/dbraw/zinc/19/81/05/570198105.db2.gz LLTSGIATHDVKOJ-UHFFFAOYSA-N -1 3 479.385 5.672 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1NC(=O)c1ccccc1F ZINC000408557427 570198169 /nfs/dbraw/zinc/19/81/69/570198169.db2.gz MRLVQCJBJGSLCS-UHFFFAOYSA-N -1 3 456.539 5.148 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000408557724 570198401 /nfs/dbraw/zinc/19/84/01/570198401.db2.gz HNYRIWGJIGFHNX-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1ccccc1 ZINC000408558412 570198981 /nfs/dbraw/zinc/19/89/81/570198981.db2.gz RLADSSYXAYDKCI-UHFFFAOYSA-N -1 3 452.576 5.570 40 0 JKABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 ZINC000408558310 570198996 /nfs/dbraw/zinc/19/89/96/570198996.db2.gz QJQAYISONYXLJB-UHFFFAOYSA-N -1 3 452.576 5.182 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558974 570199472 /nfs/dbraw/zinc/19/94/72/570199472.db2.gz UUHLEUUXHVZORS-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408560057 570200280 /nfs/dbraw/zinc/20/02/80/570200280.db2.gz ZVXGEKCSIRTMSJ-UHFFFAOYSA-N -1 3 472.994 5.915 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc1 ZINC000408560759 570200578 /nfs/dbraw/zinc/20/05/78/570200578.db2.gz FAMSUDQGUHYHNV-UHFFFAOYSA-N -1 3 490.984 5.640 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1)N1CCCCC1 ZINC000408560807 570200602 /nfs/dbraw/zinc/20/06/02/570200602.db2.gz FDRYXPRLTOTSDR-UHFFFAOYSA-N -1 3 462.786 5.465 40 0 JKABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c(C)c1 ZINC000408561538 570201185 /nfs/dbraw/zinc/20/11/85/570201185.db2.gz JIWNSXWGUWFARB-UHFFFAOYSA-N -1 3 476.957 5.223 40 0 JKABHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408576365 570205907 /nfs/dbraw/zinc/20/59/07/570205907.db2.gz STVSZOGCUDLUDG-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(Cl)c2)cc1 ZINC000408583755 570207424 /nfs/dbraw/zinc/20/74/24/570207424.db2.gz JSGDPCVQLMNFKU-UHFFFAOYSA-N -1 3 472.994 5.392 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 ZINC000408584265 570207514 /nfs/dbraw/zinc/20/75/14/570207514.db2.gz NPFAVGYEHRTDIK-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000408584942 570207767 /nfs/dbraw/zinc/20/77/67/570207767.db2.gz WXWDSLKSYXQFAM-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1Cl ZINC000408589438 570208816 /nfs/dbraw/zinc/20/88/16/570208816.db2.gz HQMATTLKRYGXDL-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408590329 570208976 /nfs/dbraw/zinc/20/89/76/570208976.db2.gz GAGYHDQSASUGKJ-NRFANRHFSA-N -1 3 477.413 5.139 40 0 JKABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c1 ZINC000408591936 570209294 /nfs/dbraw/zinc/20/92/94/570209294.db2.gz MHTKFZOSWWSYSN-UHFFFAOYSA-N -1 3 480.970 5.019 40 0 JKABHM O=C(NC1CCCCCCC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592431 570209441 /nfs/dbraw/zinc/20/94/41/570209441.db2.gz KKTUCYIFHMGPHJ-NRFANRHFSA-N -1 3 483.461 5.112 40 0 JKABHM O=c1cc(CSc2ccccn2)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[n-]1 ZINC000020634916 195191760 /nfs/dbraw/zinc/19/17/60/195191760.db2.gz KAJHZKMHYPWQDF-UHFFFAOYSA-N -1 3 472.961 5.464 40 0 JKABHM O=c1cc(-c2ccc(Cl)cc2)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[n-]1 ZINC000020634926 195191772 /nfs/dbraw/zinc/19/17/72/195191772.db2.gz WKVVISBSYYSFJS-UHFFFAOYSA-N -1 3 460.324 6.098 40 0 JKABHM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4Cl)ccc32)cc1 ZINC000020766073 195221390 /nfs/dbraw/zinc/22/13/90/195221390.db2.gz CQHKJKVYDMBIIB-UHFFFAOYSA-N -1 3 475.397 5.696 40 0 JKABHM Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4cccc(Cl)c4Cl)ccc32)cc1 ZINC000020766069 195221444 /nfs/dbraw/zinc/22/14/44/195221444.db2.gz AIGLYTRSIHLZFJ-UHFFFAOYSA-N -1 3 475.397 5.696 40 0 JKABHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766403 195221563 /nfs/dbraw/zinc/22/15/63/195221563.db2.gz MIWCIWDEJVXULY-UHFFFAOYSA-N -1 3 454.979 5.296 40 0 JKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000020766603 195222080 /nfs/dbraw/zinc/22/20/80/195222080.db2.gz VOMBOKZWBIHOBZ-UHFFFAOYSA-N -1 3 469.006 5.659 40 0 JKABHM O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc21 ZINC000020766831 195222180 /nfs/dbraw/zinc/22/21/80/195222180.db2.gz BZKFTKHYGPEQDN-UHFFFAOYSA-N -1 3 479.360 5.526 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000020766969 195222589 /nfs/dbraw/zinc/22/25/89/195222589.db2.gz YHGJUDDGMYSITA-UHFFFAOYSA-N -1 3 466.578 5.562 40 0 JKABHM O=C(c1ccccc1[O-])N1[C@@H](c2ccccc2)Oc2c(ccc3cccnc32)[C@H]1c1ccccc1 ZINC000059382527 195398384 /nfs/dbraw/zinc/39/83/84/195398384.db2.gz VUMPVVNIYMXIOY-POURPWNDSA-N -1 3 458.517 6.263 40 0 JKABHM COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224878053 195473170 /nfs/dbraw/zinc/47/31/70/195473170.db2.gz SVTYFIYKRFUPJY-ZEQRLZLVSA-N -1 3 476.989 5.417 40 0 JKABHM Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000096298257 130052600 /nfs/dbraw/zinc/05/26/00/130052600.db2.gz RBBCIPDUDXIEHR-FKBYEOEOSA-N -1 3 452.432 5.065 40 0 JKABHM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)Cc3c(F)cccc3Cl)c2)cc1 ZINC000020451172 519021384 /nfs/dbraw/zinc/02/13/84/519021384.db2.gz CMPITKFCVQECSN-UHFFFAOYSA-N -1 3 474.985 5.971 40 0 JKABHM CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020462691 519847723 /nfs/dbraw/zinc/84/77/23/519847723.db2.gz MWPHUAVSGXZSPC-KRWDZBQOSA-N -1 3 472.994 5.670 40 0 JKABHM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020487107 519847815 /nfs/dbraw/zinc/84/78/15/519847815.db2.gz AJGBDLSJMMMHFT-QGZVFWFLSA-N -1 3 456.539 5.156 40 0 JKABHM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OCC ZINC000020453894 520945679 /nfs/dbraw/zinc/94/56/79/520945679.db2.gz AWQMKFFEKVSYHN-UHFFFAOYSA-N -1 3 496.629 5.473 40 0 JKABHM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1OCC ZINC000020460395 520945785 /nfs/dbraw/zinc/94/57/85/520945785.db2.gz PYXBRXDFRJCARW-UHFFFAOYSA-N -1 3 496.629 5.473 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000020326892 521132934 /nfs/dbraw/zinc/13/29/34/521132934.db2.gz BBGRZYYXEPUKJZ-LJQANCHMSA-N -1 3 482.602 5.416 40 0 JKABHM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000022514007 521283174 /nfs/dbraw/zinc/28/31/74/521283174.db2.gz HHULSJFMJPTJCN-UHFFFAOYSA-N -1 3 456.995 6.044 40 0 JKABHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000008592770 521372364 /nfs/dbraw/zinc/37/23/64/521372364.db2.gz FXBWUCUEOLRPQE-UHFFFAOYSA-N -1 3 452.919 6.153 40 0 JKABHM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000020455594 521472760 /nfs/dbraw/zinc/47/27/60/521472760.db2.gz RMOGYKZUNOTVJQ-UHFFFAOYSA-N -1 3 486.977 5.187 40 0 JKABHM CCSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044884870 521777112 /nfs/dbraw/zinc/77/71/12/521777112.db2.gz BAOZZJGQAGOEJS-UHFFFAOYSA-N -1 3 461.008 5.814 40 0 JKABHM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020462537 522870164 /nfs/dbraw/zinc/87/01/64/522870164.db2.gz CISGDGWCHRKREX-DEOSSOPVSA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000020453396 522870435 /nfs/dbraw/zinc/87/04/35/522870435.db2.gz UAWSWNOIMRMIRN-DEOSSOPVSA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020456440 522878553 /nfs/dbraw/zinc/87/85/53/522878553.db2.gz JKDHOQYQUCCEHP-VWLOTQADSA-N -1 3 495.000 6.090 40 0 JKABHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020459902 522881678 /nfs/dbraw/zinc/88/16/78/522881678.db2.gz IYUJFTUSIWGIOK-NRFANRHFSA-N -1 3 493.412 5.899 40 0 JKABHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000044840353 522896779 /nfs/dbraw/zinc/89/67/79/522896779.db2.gz GFZFZCOMMCDNMA-NRFANRHFSA-N -1 3 472.994 5.554 40 0 JKABHM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000022524614 522919364 /nfs/dbraw/zinc/91/93/64/522919364.db2.gz KTIXJOWJFZPRMC-QHCPKHFHSA-N -1 3 489.062 6.267 40 0 JKABHM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000020453394 523038552 /nfs/dbraw/zinc/03/85/52/523038552.db2.gz UAWSWNOIMRMIRN-XMMPIXPASA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020493431 523041789 /nfs/dbraw/zinc/04/17/89/523041789.db2.gz STTGVKWFNLZCCB-HXUWFJFHSA-N -1 3 497.375 5.729 40 0 JKABHM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000044899696 523046224 /nfs/dbraw/zinc/04/62/24/523046224.db2.gz WIPPDRORFYOTGC-AREMUKBSSA-N -1 3 474.582 5.745 40 0 JKABHM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000020461447 523046715 /nfs/dbraw/zinc/04/67/15/523046715.db2.gz ISGQHZCTEJOJLW-HHHXNRCGSA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000044849952 523052101 /nfs/dbraw/zinc/05/21/01/523052101.db2.gz MFILTLXKGQQELE-OAQYLSRUSA-N -1 3 462.930 5.076 40 0 JKABHM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000044947247 523054909 /nfs/dbraw/zinc/05/49/09/523054909.db2.gz TVJYNMBPZKHSLU-RUZDIDTESA-N -1 3 488.609 6.054 40 0 JKABHM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000038771734 523062762 /nfs/dbraw/zinc/06/27/62/523062762.db2.gz QWBBHFFDFFOIJD-UHFFFAOYSA-N -1 3 460.555 5.518 40 0 JKABHM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000020456510 524251586 /nfs/dbraw/zinc/25/15/86/524251586.db2.gz JEHDRAJOVXIDOD-OAQYLSRUSA-N -1 3 466.603 5.436 40 0 JKABHM Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C ZINC000022536953 524328890 /nfs/dbraw/zinc/32/88/90/524328890.db2.gz MVWIMQWGKVUYTJ-LJQANCHMSA-N -1 3 487.021 5.322 40 0 JKABHM Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1C ZINC000022537370 524333041 /nfs/dbraw/zinc/33/30/41/524333041.db2.gz MKHFBPYVKDPIJA-FQEVSTJZSA-N -1 3 484.593 5.116 40 0 JKABHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1C ZINC000044886005 524781664 /nfs/dbraw/zinc/78/16/64/524781664.db2.gz CBRNLRMDZPTTFA-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1cc(CSc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020452132 524817124 /nfs/dbraw/zinc/81/71/24/524817124.db2.gz SBBNYOSBSNMWSQ-UHFFFAOYSA-N -1 3 461.608 6.880 40 0 JKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1 ZINC000020487552 525218961 /nfs/dbraw/zinc/21/89/61/525218961.db2.gz HFGIEAAVCVNLPQ-UHFFFAOYSA-N -1 3 459.011 5.432 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022739150 525262486 /nfs/dbraw/zinc/26/24/86/525262486.db2.gz OEMWHOCPYLIGMT-UHFFFAOYSA-N -1 3 482.359 5.398 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc3ccccc32)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022535472 525262739 /nfs/dbraw/zinc/26/27/39/525262739.db2.gz KDVONGOHNMVTOC-UHFFFAOYSA-N -1 3 453.523 5.789 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1C ZINC000022536866 525302106 /nfs/dbraw/zinc/30/21/06/525302106.db2.gz USCNPWKHSHQRTA-QFIPXVFZSA-N -1 3 480.630 5.286 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)c(C)c1 ZINC000020494465 525302547 /nfs/dbraw/zinc/30/25/47/525302547.db2.gz XVCOVRCGTMPDGJ-UHFFFAOYSA-N -1 3 458.580 5.115 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 ZINC000044840292 525599690 /nfs/dbraw/zinc/59/96/90/525599690.db2.gz JVLNYKZAWLUTJG-SFHVURJKSA-N -1 3 485.049 6.238 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2Cl)cc1 ZINC000020450902 525600344 /nfs/dbraw/zinc/60/03/44/525600344.db2.gz UAYKFIAFBCSOAK-SFHVURJKSA-N -1 3 456.995 5.557 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(C(C)C)cc3)cc2Cl)cc1 ZINC000044899787 525600554 /nfs/dbraw/zinc/60/05/54/525600554.db2.gz AFYBHVHMJFXZDI-UHFFFAOYSA-N -1 3 471.022 5.545 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000020454767 525600892 /nfs/dbraw/zinc/60/08/92/525600892.db2.gz WNIJPWJHPHUBNB-UHFFFAOYSA-N -1 3 492.984 6.494 40 0 JKABHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000044884386 525940099 /nfs/dbraw/zinc/94/00/99/525940099.db2.gz SBLOQSWNGRSSLI-CYBMUJFWSA-N -1 3 499.803 5.854 40 0 JKABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000020456024 526239168 /nfs/dbraw/zinc/23/91/68/526239168.db2.gz ANFSKDFCVSGWEO-CQSZACIVSA-N -1 3 495.384 5.209 40 0 JKABHM O=C([O-])c1ccc(CNCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000016525968 526367494 /nfs/dbraw/zinc/36/74/94/526367494.db2.gz PYFCFLFQJVCSRY-UHFFFAOYSA-N -1 3 466.364 6.714 40 0 JKABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000044849005 526981404 /nfs/dbraw/zinc/98/14/04/526981404.db2.gz OWNFNVAMYWTUJW-UHFFFAOYSA-N -1 3 450.604 5.082 40 0 JKABHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020450124 527104412 /nfs/dbraw/zinc/10/44/12/527104412.db2.gz VOISJPYNQMXMSQ-UHFFFAOYSA-N -1 3 489.302 6.065 40 0 JKABHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000000863679 553803829 /nfs/dbraw/zinc/80/38/29/553803829.db2.gz FSSPIIYLEGPHBP-UHFFFAOYSA-N -1 3 453.523 6.052 40 0 JKABHM COC(=O)c1c(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc1[N-]C(=O)c1ccco1 ZINC000000871579 553810066 /nfs/dbraw/zinc/81/00/66/553810066.db2.gz VVTTVZSXLGKWLY-UHFFFAOYSA-N -1 3 486.855 5.613 40 0 JKABHM COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4[O-])c3N2)c1 ZINC000000884006 553820912 /nfs/dbraw/zinc/82/09/12/553820912.db2.gz LHVBCOLOBNBSBO-YJBOKZPZSA-N -1 3 466.847 5.163 40 0 JKABHM COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4[O-])c3N2)c1 ZINC000000884010 553821170 /nfs/dbraw/zinc/82/11/70/553821170.db2.gz LHVBCOLOBNBSBO-MAUKXSAKSA-N -1 3 466.847 5.163 40 0 JKABHM COc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1[O-] ZINC000000916914 553848180 /nfs/dbraw/zinc/84/81/80/553848180.db2.gz LAKDTVCZJPCZEM-UHFFFAOYSA-N -1 3 466.950 5.033 40 0 JKABHM COc1ccc(-n2c(SCC(=O)Nc3ccccc3[O-])nnc2-c2ccc(Cl)cc2)cc1 ZINC000000925191 553860853 /nfs/dbraw/zinc/86/08/53/553860853.db2.gz REBNBKCGYGJANU-UHFFFAOYSA-N -1 3 466.950 5.033 40 0 JKABHM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]c3ccccc3SCC(=O)Nc3ccccc3)cc12 ZINC000000929796 553867463 /nfs/dbraw/zinc/86/74/63/553867463.db2.gz ROKSARZCUZSDBX-UHFFFAOYSA-N -1 3 498.633 6.379 40 0 JKABHM Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000001223690 553934867 /nfs/dbraw/zinc/93/48/67/553934867.db2.gz HGAPLTMGHPWJMY-UHFFFAOYSA-N -1 3 458.587 5.241 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Br)nnc2-c2ccccc2[O-])cc1 ZINC000001223794 553935089 /nfs/dbraw/zinc/93/50/89/553935089.db2.gz ULADSIDPGDHELZ-UHFFFAOYSA-N -1 3 495.402 5.442 40 0 JKABHM CCCCCSc1nnc2c(n1)O[C@H](c1cc(Cl)c([O-])c(OCC)c1)Nc1ccccc1-2 ZINC000002745561 554323545 /nfs/dbraw/zinc/32/35/45/554323545.db2.gz QCCWVKAVMVDJAB-OAQYLSRUSA-N -1 3 472.998 6.082 40 0 JKABHM C[C@H](CCC(O)(CC[C@@H](C)CC(C)(C)C)C(=O)COC(=O)c1ccc([O-])cc1)CC(C)(C)C ZINC000004887303 554482922 /nfs/dbraw/zinc/48/29/22/554482922.db2.gz SHALQAZWLACCBM-NHCUHLMSSA-N -1 3 462.671 6.554 40 0 JKABHM CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1Cl ZINC000005949354 554498269 /nfs/dbraw/zinc/49/82/69/554498269.db2.gz IHZCPDNYSBBJQG-UHFFFAOYSA-N -1 3 498.029 6.156 40 0 JKABHM Cc1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])n2-c2ccccc2)c1C ZINC000006443208 554537208 /nfs/dbraw/zinc/53/72/08/554537208.db2.gz MUWVHLBFZRGFBV-UHFFFAOYSA-N -1 3 480.593 6.141 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)ccc3[O-])oc2c1 ZINC000008835174 554733587 /nfs/dbraw/zinc/73/35/87/554733587.db2.gz QTHDQDYGXWUJRG-UHFFFAOYSA-N -1 3 475.570 5.670 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)ccc3[O-])nc2c1 ZINC000008835200 554733763 /nfs/dbraw/zinc/73/37/63/554733763.db2.gz IHAAHQGMJXYUCA-UHFFFAOYSA-N -1 3 486.380 6.196 40 0 JKABHM Cc1nc(-c2c(-c3ccc4c(c3[O-])OCCO4)nc(-c3ccccc3)nc2C(F)(F)F)cs1 ZINC000008873454 554770173 /nfs/dbraw/zinc/77/01/73/554770173.db2.gz ZGLSXVMYBNTERK-UHFFFAOYSA-N -1 3 471.460 5.738 40 0 JKABHM COc1cc([O-])c(-c2nc(-c3ccccc3)nc(C(F)(F)F)c2-c2csc(C)n2)cc1C ZINC000008873456 554770187 /nfs/dbraw/zinc/77/01/87/554770187.db2.gz UTZGBFRTFGJMPV-UHFFFAOYSA-N -1 3 457.477 6.284 40 0 JKABHM CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)C(C)(C)C)C(=C([O-])c1ccncc1)[C@]21C(=O)Nc2ccccc21 ZINC000009015807 554865951 /nfs/dbraw/zinc/86/59/51/554865951.db2.gz CDKPVMWAAKYWAN-FVCFNFBRSA-N -1 3 491.591 5.060 40 0 JKABHM CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)C(C)(C)C)C(=C([O-])c1ccncc1)[C@]21C(=O)Nc2ccccc21 ZINC000009015808 554865959 /nfs/dbraw/zinc/86/59/59/554865959.db2.gz CDKPVMWAAKYWAN-PZTYDPALSA-N -1 3 491.591 5.060 40 0 JKABHM CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)C(C)(C)C)C(=C([O-])c1ccncc1)[C@@]21C(=O)Nc2ccccc21 ZINC000009015805 554865965 /nfs/dbraw/zinc/86/59/65/554865965.db2.gz CDKPVMWAAKYWAN-ANKKVJNISA-N -1 3 491.591 5.060 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062818 554880507 /nfs/dbraw/zinc/88/05/07/554880507.db2.gz XTCOCDZBFADWHZ-UHFFFAOYSA-N -1 3 499.636 5.491 40 0 JKABHM Cc1ccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)CC2)cc1 ZINC000009063147 554880795 /nfs/dbraw/zinc/88/07/95/554880795.db2.gz XYFPMBFXCNLGIA-UHFFFAOYSA-N -1 3 491.657 5.263 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063329 554881083 /nfs/dbraw/zinc/88/10/83/554881083.db2.gz JIGYGKTUNDJDOX-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000009063427 554881116 /nfs/dbraw/zinc/88/11/16/554881116.db2.gz XPSQINTWWYQREM-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)c1 ZINC000009063607 554881396 /nfs/dbraw/zinc/88/13/96/554881396.db2.gz HBIMECNHTUULNO-UHFFFAOYSA-N -1 3 495.620 5.094 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)ccc3[O-])nc2c1 ZINC000009064924 554884349 /nfs/dbraw/zinc/88/43/49/554884349.db2.gz XWKUOSMDCZWVKH-UHFFFAOYSA-N -1 3 465.962 5.472 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009158528 554948337 /nfs/dbraw/zinc/94/83/37/554948337.db2.gz VFGVPJFOWZWFSG-GSDHBNRESA-N -1 3 454.570 5.652 40 0 JKABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000009159428 554948958 /nfs/dbraw/zinc/94/89/58/554948958.db2.gz ILMPGOMHZRFJFW-ZLNRFVROSA-N -1 3 483.351 5.443 40 0 JKABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000009346335 555113083 /nfs/dbraw/zinc/11/30/83/555113083.db2.gz DLMAWDOBBYYXGS-ZLNRFVROSA-N -1 3 482.458 5.155 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000009424876 555189644 /nfs/dbraw/zinc/18/96/44/555189644.db2.gz AHVAHEGIIFNXEB-GVAUOCQISA-N -1 3 476.960 5.570 40 0 JKABHM CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1[O-] ZINC000019894046 555532011 /nfs/dbraw/zinc/53/20/11/555532011.db2.gz ZGYDSVILEJKOPA-UHFFFAOYSA-N -1 3 456.498 5.547 40 0 JKABHM Cc1ccccc1CSCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019932758 555550037 /nfs/dbraw/zinc/55/00/37/555550037.db2.gz JQIKYMUKKCNISU-UHFFFAOYSA-N -1 3 475.035 5.112 40 0 JKABHM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000019932649 555550061 /nfs/dbraw/zinc/55/00/61/555550061.db2.gz XRTRFJQSJFDIKT-HSZRJFAPSA-N -1 3 489.062 6.267 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000019933144 555550592 /nfs/dbraw/zinc/55/05/92/555550592.db2.gz KBHDUOGBSDPISQ-GOSISDBHSA-N -1 3 468.575 5.025 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2Cl)cc1 ZINC000019933405 555550687 /nfs/dbraw/zinc/55/06/87/555550687.db2.gz JFNDNHREYNTXEX-UHFFFAOYSA-N -1 3 468.884 5.720 40 0 JKABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000019937697 555554334 /nfs/dbraw/zinc/55/43/34/555554334.db2.gz LDUOQPGDQYMNNT-UHFFFAOYSA-N -1 3 466.324 5.717 40 0 JKABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013659420 555555944 /nfs/dbraw/zinc/55/59/44/555555944.db2.gz JAKSDEKBLIRJKK-FKBYEOEOSA-N -1 3 469.324 5.053 40 0 JKABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000020009577 555585262 /nfs/dbraw/zinc/58/52/62/555585262.db2.gz AHUDFUKIIUJRQO-QFIPXVFZSA-N -1 3 487.021 5.000 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1C ZINC000020019965 555596161 /nfs/dbraw/zinc/59/61/61/555596161.db2.gz OWTKBIGPXMTNTK-GOSISDBHSA-N -1 3 472.994 5.014 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020261 555596958 /nfs/dbraw/zinc/59/69/58/555596958.db2.gz GMBKBDKQBXTOHF-SFHVURJKSA-N -1 3 472.994 5.014 40 0 JKABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000020020441 555597256 /nfs/dbraw/zinc/59/72/56/555597256.db2.gz IEXNSBHXYRMXMV-INIZCTEOSA-N -1 3 491.034 5.119 40 0 JKABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000020020410 555597259 /nfs/dbraw/zinc/59/72/59/555597259.db2.gz KRAUMFFCLNNKME-HNNXBMFYSA-N -1 3 479.385 5.050 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000020021058 555598099 /nfs/dbraw/zinc/59/80/99/555598099.db2.gz AGUFPKVQFJYGMC-INIZCTEOSA-N -1 3 493.412 5.359 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000020021055 555598123 /nfs/dbraw/zinc/59/81/23/555598123.db2.gz AGUFPKVQFJYGMC-MRXNPFEDSA-N -1 3 493.412 5.359 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(C)c2)cc1 ZINC000020021634 555598732 /nfs/dbraw/zinc/59/87/32/555598732.db2.gz FBDQJDLLKQMQOF-UHFFFAOYSA-N -1 3 496.482 5.280 40 0 JKABHM Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000010035189 555602871 /nfs/dbraw/zinc/60/28/71/555602871.db2.gz FQIDBJUPCOQFFX-UHFFFAOYSA-N -1 3 467.934 5.054 40 0 JKABHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1C ZINC000020037788 555611884 /nfs/dbraw/zinc/61/18/84/555611884.db2.gz VBSPLJNNAOTFKW-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3cccc(C)c3)cc2Cl)cc1 ZINC000020037966 555612119 /nfs/dbraw/zinc/61/21/19/555612119.db2.gz RHUGYJTXDPZBNP-UHFFFAOYSA-N -1 3 489.062 5.421 40 0 JKABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013770512 555614618 /nfs/dbraw/zinc/61/46/18/555614618.db2.gz UWYACZATRJHYMB-ZNZIZOMTSA-N -1 3 490.531 5.064 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000013777171 555617114 /nfs/dbraw/zinc/61/71/14/555617114.db2.gz KPTSLMXGOYHPKY-KCHLEUMXSA-N -1 3 476.532 5.317 40 0 JKABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000013787278 555619820 /nfs/dbraw/zinc/61/98/20/555619820.db2.gz GWYMEFLNMYFRLW-DSITVLBTSA-N -1 3 456.542 5.044 40 0 JKABHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020061055 555623958 /nfs/dbraw/zinc/62/39/58/555623958.db2.gz WWSITVWJQOQSAF-HNNXBMFYSA-N -1 3 495.453 6.055 40 0 JKABHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000010112690 555626005 /nfs/dbraw/zinc/62/60/05/555626005.db2.gz ULYLPTPSEKBHMW-UHFFFAOYSA-N -1 3 472.846 6.881 40 0 JKABHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000010112689 555626075 /nfs/dbraw/zinc/62/60/75/555626075.db2.gz RFKPATPQADFWIG-UHFFFAOYSA-N -1 3 472.846 6.881 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1C ZINC000020107989 555642613 /nfs/dbraw/zinc/64/26/13/555642613.db2.gz UXKFRBIFTZZPAW-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000020110583 555646822 /nfs/dbraw/zinc/64/68/22/555646822.db2.gz GZQIWFXSWVYKRG-UHFFFAOYSA-N -1 3 459.011 5.432 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000014007052 555668532 /nfs/dbraw/zinc/66/85/32/555668532.db2.gz KLLFQBRDRCSTLH-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1C ZINC000014006934 555668657 /nfs/dbraw/zinc/66/86/57/555668657.db2.gz QQFDMYQSZVLGHZ-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000014013434 555670705 /nfs/dbraw/zinc/67/07/05/555670705.db2.gz PKOHCZHGJLNLOH-XMMPIXPASA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000014022633 555673712 /nfs/dbraw/zinc/67/37/12/555673712.db2.gz XBDMKDJRZYMLBZ-XMMPIXPASA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014022804 555673719 /nfs/dbraw/zinc/67/37/19/555673719.db2.gz AMUMHHVRWIUQCV-HSZRJFAPSA-N -1 3 452.576 5.209 40 0 JKABHM CC(=O)C1=NN(c2ccc(Br)cc2)[C@]2([N-]c3ccccc3C(=O)N2c2ccccc2)S1 ZINC000020161582 555677314 /nfs/dbraw/zinc/67/73/14/555677314.db2.gz FDXOLNFFSGPSMP-HSZRJFAPSA-N -1 3 493.386 5.289 40 0 JKABHM CC(=O)C1=NN(c2ccc(Br)cc2)[C@@]2([N-]c3ccccc3C(=O)N2c2ccccc2)S1 ZINC000020161580 555677321 /nfs/dbraw/zinc/67/73/21/555677321.db2.gz FDXOLNFFSGPSMP-QHCPKHFHSA-N -1 3 493.386 5.289 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1SCc1ccccc1 ZINC000010330550 555687467 /nfs/dbraw/zinc/68/74/67/555687467.db2.gz XCVNYLLYBSKFTH-UHFFFAOYSA-N -1 3 492.597 6.171 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000010357988 555695880 /nfs/dbraw/zinc/69/58/80/555695880.db2.gz PTLHFHWJMBEOAW-UHFFFAOYSA-N -1 3 464.631 5.973 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3c(F)cccc3Cl)cc2)cc1 ZINC000014154826 555712478 /nfs/dbraw/zinc/71/24/78/555712478.db2.gz AMTSCXOPBXQMCX-UHFFFAOYSA-N -1 3 478.998 5.460 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(OCc3ccc(F)cc3)cc2)c(Cl)c1Cl ZINC000010543771 555725718 /nfs/dbraw/zinc/72/57/18/555725718.db2.gz JDGQNICNDAURNV-UHFFFAOYSA-N -1 3 470.349 5.199 40 0 JKABHM COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1Cl ZINC000014270247 555761851 /nfs/dbraw/zinc/76/18/51/555761851.db2.gz HOQOURWWFFVEEE-UHFFFAOYSA-N -1 3 467.934 5.298 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc5ccccc54)ccc3[O-])oc2c(C)c1 ZINC000014270289 555761935 /nfs/dbraw/zinc/76/19/35/555761935.db2.gz WDBCXJHUIHLWRN-UHFFFAOYSA-N -1 3 467.550 6.097 40 0 JKABHM CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000014270285 555762003 /nfs/dbraw/zinc/76/20/03/555762003.db2.gz DCFNLLUDXKMGAW-UHFFFAOYSA-N -1 3 461.543 5.343 40 0 JKABHM COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000014270293 555762294 /nfs/dbraw/zinc/76/22/94/555762294.db2.gz BPJYBNUYTPDNHT-IZZDOVSWSA-N -1 3 473.554 5.352 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3Cl)cc2)cc1 ZINC000020330642 555775814 /nfs/dbraw/zinc/77/58/14/555775814.db2.gz CSDIMHCZZUPTSU-JOCHJYFZSA-N -1 3 488.993 5.336 40 0 JKABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccc2c(Cl)cccc12 ZINC000014274627 555777394 /nfs/dbraw/zinc/77/73/94/555777394.db2.gz YSNDIVVBYPBVBI-UHFFFAOYSA-N -1 3 490.009 6.602 40 0 JKABHM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000014275150 555779733 /nfs/dbraw/zinc/77/97/33/555779733.db2.gz IMAYGWUCKUWRBG-UHFFFAOYSA-N -1 3 481.961 5.606 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Br)cc4)ccc3[O-])oc2c1 ZINC000014275118 555779815 /nfs/dbraw/zinc/77/98/15/555779815.db2.gz SZUGEIRCTGSJQI-UHFFFAOYSA-N -1 3 482.359 5.398 40 0 JKABHM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000014399188 555804814 /nfs/dbraw/zinc/80/48/14/555804814.db2.gz JONKXEDMAQVFFZ-UHFFFAOYSA-N -1 3 479.385 5.592 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)c(C)c1 ZINC000014399424 555804841 /nfs/dbraw/zinc/80/48/41/555804841.db2.gz WFVXLRARCYLXLY-LJQANCHMSA-N -1 3 487.021 5.780 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000014399526 555805286 /nfs/dbraw/zinc/80/52/86/555805286.db2.gz VZQLBOGLBLTUCY-SFHVURJKSA-N -1 3 482.602 5.200 40 0 JKABHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000014400276 555805909 /nfs/dbraw/zinc/80/59/09/555805909.db2.gz DWUOHHAIDSZKQH-OAHLLOKOSA-N -1 3 479.385 5.509 40 0 JKABHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000014400725 555806251 /nfs/dbraw/zinc/80/62/51/555806251.db2.gz KSUNVOPOLCGCNV-ZDUSSCGKSA-N -1 3 483.348 5.339 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000014665263 555837111 /nfs/dbraw/zinc/83/71/11/555837111.db2.gz XOSUPBXAYYXOAA-LJQANCHMSA-N -1 3 496.629 5.590 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c(C)c1 ZINC000014665256 555837131 /nfs/dbraw/zinc/83/71/31/555837131.db2.gz OUMTYNRZSKITFQ-FQEVSTJZSA-N -1 3 480.630 5.808 40 0 JKABHM CCCCCSc1nnc2c(n1)O[C@@H](c1cc([O-])ccc1Br)Nc1ccccc1-2 ZINC000015015524 555856207 /nfs/dbraw/zinc/85/62/07/555856207.db2.gz IRBSKMCKGRMYHU-IBGZPJMESA-N -1 3 473.396 5.792 40 0 JKABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000012017480 555885328 /nfs/dbraw/zinc/88/53/28/555885328.db2.gz YCKZIYVRIPZFNG-VABKMULXSA-N -1 3 499.350 5.062 40 0 JKABHM Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cc2ccccc2cc1[O-] ZINC000012474655 555982692 /nfs/dbraw/zinc/98/26/92/555982692.db2.gz JMJWWSMOHWERCQ-UHFFFAOYSA-N -1 3 496.617 6.263 40 0 JKABHM [O-]c1ccccc1-c1nnc(SCc2ccc(CSc3nnc(-c4ccccc4O)o3)cc2)o1 ZINC000012483075 555986091 /nfs/dbraw/zinc/98/60/91/555986091.db2.gz DVZMLXHATKVDGK-UHFFFAOYSA-N -1 3 490.566 5.782 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000012496778 555990483 /nfs/dbraw/zinc/99/04/83/555990483.db2.gz YQWJIXLHVOEQDR-UHFFFAOYSA-N -1 3 492.604 6.156 40 0 JKABHM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000012496761 555990563 /nfs/dbraw/zinc/99/05/63/555990563.db2.gz PABKODKIUIYSHP-FQEVSTJZSA-N -1 3 472.614 5.630 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000016293433 556134327 /nfs/dbraw/zinc/13/43/27/556134327.db2.gz WVYQAUHCZMHEFE-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000016293513 556134342 /nfs/dbraw/zinc/13/43/42/556134342.db2.gz JKPUQMKSQNDXJR-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc2ccc(C(=O)CCCCCCCCC(=O)c3ccc4ccc(C)nc4c3O)c([O-])c2n1 ZINC000016348843 556136320 /nfs/dbraw/zinc/13/63/20/556136320.db2.gz UHKHWBNKOBFKEY-UHFFFAOYSA-N -1 3 484.596 6.997 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000016450718 556139801 /nfs/dbraw/zinc/13/98/01/556139801.db2.gz YCGDPOBUYLOHJS-OQKWZONESA-N -1 3 478.957 5.913 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016490404 556140916 /nfs/dbraw/zinc/14/09/16/556140916.db2.gz KKTKSMGLCWULLZ-UHFFFAOYSA-N -1 3 484.883 5.177 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000016490434 556140974 /nfs/dbraw/zinc/14/09/74/556140974.db2.gz GFNJGYMNHCYJIR-UHFFFAOYSA-N -1 3 474.538 5.297 40 0 JKABHM CC[C@H](C)c1ccc2oc(-c3cccc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000016610944 556146939 /nfs/dbraw/zinc/14/69/39/556146939.db2.gz NLXOOOHWGCXYKT-NSHDSACASA-N -1 3 470.809 6.192 40 0 JKABHM CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000016610944 556146941 /nfs/dbraw/zinc/14/69/41/556146941.db2.gz NLXOOOHWGCXYKT-NSHDSACASA-N -1 3 470.809 6.192 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000016678194 556150311 /nfs/dbraw/zinc/15/03/11/556150311.db2.gz BVQWMZWZLFSCBE-UHFFFAOYSA-N -1 3 452.576 5.156 40 0 JKABHM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000016779574 556159095 /nfs/dbraw/zinc/15/90/95/556159095.db2.gz PBGMWPAFVFHCQV-UHFFFAOYSA-N -1 3 478.570 5.233 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc3c(C(C)=O)c(C)n(-c4ccc(C)cc4)c3c(C)c2C)cc1 ZINC000016779592 556159167 /nfs/dbraw/zinc/15/91/67/556159167.db2.gz YYQGVEZOHPAYMI-UHFFFAOYSA-N -1 3 476.598 5.876 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCCCC1 ZINC000026116882 556246608 /nfs/dbraw/zinc/24/66/08/556246608.db2.gz PLLSQYYWVUPNCE-UHFFFAOYSA-N -1 3 493.865 5.796 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCCCCC1 ZINC000026119803 556248455 /nfs/dbraw/zinc/24/84/55/556248455.db2.gz JXKGLMWJWWFOLM-UHFFFAOYSA-N -1 3 473.447 5.532 40 0 JKABHM CCOc1ccc(-c2nonc2[N-]C(=O)c2sc3cc(C)ccc3c2Cl)cc1OCC ZINC000027529796 556290751 /nfs/dbraw/zinc/29/07/51/556290751.db2.gz SHARWAQGWDXSMI-UHFFFAOYSA-N -1 3 457.939 5.963 40 0 JKABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc2N1C(=O)c1ccccc1 ZINC000028206945 556317556 /nfs/dbraw/zinc/31/75/56/556317556.db2.gz XTSOOJQLYJQHLX-CQSZACIVSA-N -1 3 461.370 5.386 40 0 JKABHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc2N1C(=O)c1ccccc1 ZINC000028206995 556317741 /nfs/dbraw/zinc/31/77/41/556317741.db2.gz UOYDFSKXVGLKPG-FQEVSTJZSA-N -1 3 484.577 5.871 40 0 JKABHM Cn1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nnc1-c1cc2ccccc2cc1[O-] ZINC000013123825 556339871 /nfs/dbraw/zinc/33/98/71/556339871.db2.gz VMAQYWUMZIJZSM-UHFFFAOYSA-N -1 3 492.604 5.897 40 0 aggregator JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000030750921 556370896 /nfs/dbraw/zinc/37/08/96/556370896.db2.gz DTZMSSJOOCYEDY-UHFFFAOYSA-N -1 3 495.453 5.975 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030851178 556377472 /nfs/dbraw/zinc/37/74/72/556377472.db2.gz CRERXUBKNJLUIH-JOCHJYFZSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030851183 556377512 /nfs/dbraw/zinc/37/75/12/556377512.db2.gz CRERXUBKNJLUIH-QFIPXVFZSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000030861522 556381896 /nfs/dbraw/zinc/38/18/96/556381896.db2.gz INNDFAXUWSBCGF-OAQYLSRUSA-N -1 3 497.375 5.729 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2CN(C)C/C=C\c2ccc(Cl)cc2)cc1 ZINC000031261918 556395085 /nfs/dbraw/zinc/39/50/85/556395085.db2.gz RUAOVVIUGUOYHA-WAYWQWQTSA-N -1 3 456.995 5.295 40 0 JKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3cc(C)ccc3C(C)C)sc2c1 ZINC000032118840 556425633 /nfs/dbraw/zinc/42/56/33/556425633.db2.gz AVLMVHGUGQPQIG-UHFFFAOYSA-N -1 3 455.649 5.963 40 0 JKABHM CCc1cccc(C(C)C)c1NC(=O)C([O-])=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000008653174 562948598 /nfs/dbraw/zinc/94/85/98/562948598.db2.gz CVXATYQXHDGXNY-KRWDZBQOSA-N -1 3 493.387 5.005 40 0 JKABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000057313402 569596617 /nfs/dbraw/zinc/59/66/17/569596617.db2.gz IIGSEUWMWIFCMM-WYMLVPIESA-N -1 3 495.560 6.295 40 0 JKABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000033453920 569626489 /nfs/dbraw/zinc/62/64/89/569626489.db2.gz YXPPCVZMISQNCF-UHFFFAOYSA-N -1 3 458.967 5.273 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1c(Cl)cccc1Cl ZINC000033619385 569628963 /nfs/dbraw/zinc/62/89/63/569628963.db2.gz UZCOXDLUAVRMOC-UHFFFAOYSA-N -1 3 485.776 5.465 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000033661749 569630138 /nfs/dbraw/zinc/63/01/38/569630138.db2.gz VIAIPYQHJUBRPP-UHFFFAOYSA-N -1 3 493.412 5.106 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)c1 ZINC000033741832 569633236 /nfs/dbraw/zinc/63/32/36/569633236.db2.gz QWDOVNFXPDFCOQ-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000034689515 569645629 /nfs/dbraw/zinc/64/56/29/569645629.db2.gz GRMWRRPRUDMMQO-UHFFFAOYSA-N -1 3 466.603 5.464 40 0 JKABHM CCOC(=O)c1sc([N-]C(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(C(=O)OCC)c1C ZINC000034702025 569649154 /nfs/dbraw/zinc/64/91/54/569649154.db2.gz PHOWSMSADXGAKJ-UHFFFAOYSA-N -1 3 455.532 5.539 40 0 JKABHM CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)[N-][C@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000035047581 569673987 /nfs/dbraw/zinc/67/39/87/569673987.db2.gz VXKWFFYOIFTXMQ-BHYNMZESSA-N -1 3 498.587 6.521 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)c1 ZINC000035088375 569674672 /nfs/dbraw/zinc/67/46/72/569674672.db2.gz DMYUBSSIZKVMLO-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM CCCCc1nc(Cl)c(COC(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000067665169 569688912 /nfs/dbraw/zinc/68/89/12/569688912.db2.gz XDTUSKVHHYIRIG-UHFFFAOYSA-N -1 3 465.001 5.700 40 0 in-vitro JKABHM CCCCc1nc(Cl)c(COC(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000067665169 569688913 /nfs/dbraw/zinc/68/89/13/569688913.db2.gz XDTUSKVHHYIRIG-UHFFFAOYSA-N -1 3 465.001 5.700 40 0 in-vitro JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000035828502 569712724 /nfs/dbraw/zinc/71/27/24/569712724.db2.gz NVTAQODLHBKFID-SMIHKQSGSA-N -1 3 497.378 5.833 40 0 JKABHM CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000095483645 569725154 /nfs/dbraw/zinc/72/51/54/569725154.db2.gz RSYSVVPXMQQROL-VJBWXMMDSA-N -1 3 467.352 5.607 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccs1 ZINC000100558862 569764626 /nfs/dbraw/zinc/76/46/26/569764626.db2.gz VDJMILZIOPAUCW-QRVBRYPASA-N -1 3 478.879 5.471 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1Cl ZINC000100845480 569772184 /nfs/dbraw/zinc/77/21/84/569772184.db2.gz UEOMMGWREDPZEA-FSSWDIPSSA-N -1 3 497.776 5.462 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3Cc2ccccc2)cc1 ZINC000101030382 569780155 /nfs/dbraw/zinc/78/01/55/569780155.db2.gz IPFLJDRUQGGQBC-PVHODMMVSA-N -1 3 470.569 5.177 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000101038542 569780314 /nfs/dbraw/zinc/78/03/14/569780314.db2.gz ZJEZDPAHFJVQDT-HJOGWXRNSA-N -1 3 462.571 5.368 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000101076628 569781637 /nfs/dbraw/zinc/78/16/37/569781637.db2.gz CRYCDDDPTISSKT-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000101080981 569781785 /nfs/dbraw/zinc/78/17/85/569781785.db2.gz XTWMYHIEGIATNO-PFBJBMPXSA-N -1 3 484.596 5.824 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(CC)cc2)cc1 ZINC000101087857 569782198 /nfs/dbraw/zinc/78/21/98/569782198.db2.gz ZFEIGZFMWSEKRO-NXCFDTQHSA-N -1 3 456.542 5.089 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000101127261 569783883 /nfs/dbraw/zinc/78/38/83/569783883.db2.gz OTRMFXSWOBENJI-FKBYEOEOSA-N -1 3 486.877 5.718 40 0 JKABHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101130332 569784039 /nfs/dbraw/zinc/78/40/39/569784039.db2.gz UWYACZATRJHYMB-GSDHBNRESA-N -1 3 490.531 5.064 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000101153162 569784712 /nfs/dbraw/zinc/78/47/12/569784712.db2.gz CFBQIAMWYCHNHS-FCEKVYKBSA-N -1 3 498.623 6.214 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000101163346 569785188 /nfs/dbraw/zinc/78/51/88/569785188.db2.gz PQWOEEQMSCRUAP-ULNSLHSMSA-N -1 3 490.559 5.625 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101167438 569785637 /nfs/dbraw/zinc/78/56/37/569785637.db2.gz LWODHHPUMNDSQK-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000101187089 569786452 /nfs/dbraw/zinc/78/64/52/569786452.db2.gz NUSLVQVAMIDFEU-FKBYEOEOSA-N -1 3 452.432 5.065 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000101190048 569786617 /nfs/dbraw/zinc/78/66/17/569786617.db2.gz FPAWZWCFCCVLGZ-BHIFYINESA-N -1 3 450.947 5.113 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2C)cc1 ZINC000101215002 569787279 /nfs/dbraw/zinc/78/72/79/569787279.db2.gz YLBGUIGLMBCHGJ-NXCFDTQHSA-N -1 3 456.542 5.143 40 0 JKABHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101216934 569787382 /nfs/dbraw/zinc/78/73/82/569787382.db2.gz QELXDQHSKNAKKE-GSDHBNRESA-N -1 3 490.531 5.064 40 0 JKABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000101226934 569787541 /nfs/dbraw/zinc/78/75/41/569787541.db2.gz XXABJDWWKJLUQA-FKBYEOEOSA-N -1 3 469.324 5.053 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000101248344 569788040 /nfs/dbraw/zinc/78/80/40/569788040.db2.gz HVEBVCCBSCCNLB-SGNDLWITSA-N -1 3 496.485 5.545 40 0 JKABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000101252828 569788099 /nfs/dbraw/zinc/78/80/99/569788099.db2.gz DLMAWDOBBYYXGS-VABKMULXSA-N -1 3 482.458 5.155 40 0 JKABHM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([O-])c(-c4nc5ccccc5o4)c3)o2)cc1C ZINC000038177513 569799917 /nfs/dbraw/zinc/79/99/17/569799917.db2.gz NNNNHQIPMXPTKH-UHFFFAOYSA-N -1 3 483.549 6.204 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)F)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038187961 569800531 /nfs/dbraw/zinc/80/05/31/569800531.db2.gz SMLYIWMTVNECOM-UHFFFAOYSA-N -1 3 480.540 5.925 40 0 JKABHM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000038753299 569806599 /nfs/dbraw/zinc/80/65/99/569806599.db2.gz OQTRUURILLMHEM-VWLOTQADSA-N -1 3 466.603 5.517 40 0 JKABHM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000038772258 569807643 /nfs/dbraw/zinc/80/76/43/569807643.db2.gz AIAGIBPJBSJNBP-OAQYLSRUSA-N -1 3 466.603 5.436 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)c1 ZINC000039748325 569811190 /nfs/dbraw/zinc/81/11/90/569811190.db2.gz GTLFSPZAUYDICH-UHFFFAOYSA-N -1 3 495.620 5.094 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)cc2)c1 ZINC000039754452 569811373 /nfs/dbraw/zinc/81/13/73/569811373.db2.gz OTEVVBUUPUXEJI-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000102695052 569816004 /nfs/dbraw/zinc/81/60/04/569816004.db2.gz CIVBBXOPQCRVEW-HKBOAZHASA-N -1 3 483.749 5.154 40 0 JKABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102723714 569817488 /nfs/dbraw/zinc/81/74/88/569817488.db2.gz COLRNCLXYGUNNM-FDFHNCONSA-N -1 3 469.324 5.053 40 0 JKABHM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102726396 569817678 /nfs/dbraw/zinc/81/76/78/569817678.db2.gz HEBPGXFSRJKKIQ-BHIFYINESA-N -1 3 469.324 5.053 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102728036 569817949 /nfs/dbraw/zinc/81/79/49/569817949.db2.gz UQKHXXIFTXJVDW-BHIFYINESA-N -1 3 453.325 5.353 40 0 JKABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000102742548 569819401 /nfs/dbraw/zinc/81/94/01/569819401.db2.gz IBYZXIMWJRVOOK-FUPPJEDESA-N -1 3 499.350 5.062 40 0 JKABHM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102750249 569820905 /nfs/dbraw/zinc/82/09/05/569820905.db2.gz TUOGVVHZFULDKU-ZINXYGQCSA-N -1 3 471.395 5.344 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102749785 569820928 /nfs/dbraw/zinc/82/09/28/569820928.db2.gz PCHRNFDRVIKOHO-BHIFYINESA-N -1 3 453.325 5.353 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102757138 569821559 /nfs/dbraw/zinc/82/15/59/569821559.db2.gz LWODHHPUMNDSQK-BHIFYINESA-N -1 3 453.325 5.353 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102757252 569821577 /nfs/dbraw/zinc/82/15/77/569821577.db2.gz LQZRBGXDTNKSHL-VABKMULXSA-N -1 3 490.346 5.593 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102765029 569822778 /nfs/dbraw/zinc/82/27/78/569822778.db2.gz BTMFSNWJQHGSAJ-HBMCJLEFSA-N -1 3 457.288 5.184 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1c(F)cccc1Cl ZINC000102768192 569823260 /nfs/dbraw/zinc/82/32/60/569823260.db2.gz DNMZZPBAOQSDOY-HBMCJLEFSA-N -1 3 490.840 5.549 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000107613272 569856732 /nfs/dbraw/zinc/85/67/32/569856732.db2.gz QALFNVAQQBSCDG-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 ZINC000107650444 569856834 /nfs/dbraw/zinc/85/68/34/569856834.db2.gz YSRUFJAYUMJNRZ-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000108240224 569859233 /nfs/dbraw/zinc/85/92/33/569859233.db2.gz HNTZVYWOHIQVAW-UHFFFAOYSA-N -1 3 493.810 5.772 40 0 JKABHM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000108990107 569860190 /nfs/dbraw/zinc/86/01/90/569860190.db2.gz PDWHIZVANJQCBJ-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000109072880 569860467 /nfs/dbraw/zinc/86/04/67/569860467.db2.gz HHEMMHCQRXOPTB-QGZVFWFLSA-N -1 3 475.035 5.877 40 0 JKABHM COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(Br)c1[O-] ZINC000214788456 569876989 /nfs/dbraw/zinc/87/69/89/569876989.db2.gz CZWJCVIPUKNKMC-VIZOYTHASA-N -1 3 489.174 5.707 40 0 JKABHM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000216284121 569878146 /nfs/dbraw/zinc/87/81/46/569878146.db2.gz BWUVYMAMGXYQGM-AREMUKBSSA-N -1 3 488.609 6.054 40 0 JKABHM Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000216340296 569878443 /nfs/dbraw/zinc/87/84/43/569878443.db2.gz MHBNUJGISFCSHE-UHFFFAOYSA-N -1 3 461.008 5.565 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000216425460 569878777 /nfs/dbraw/zinc/87/87/77/569878777.db2.gz NHPFOOWTKNVQIF-JOCHJYFZSA-N -1 3 493.412 5.899 40 0 JKABHM CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N-]S(C)(=O)=O)c(Cl)c3)c2)cc1 ZINC000216493866 569879114 /nfs/dbraw/zinc/87/91/14/569879114.db2.gz FUQAZXOOJBBEOB-UHFFFAOYSA-N -1 3 485.005 5.492 40 0 JKABHM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000216488502 569879124 /nfs/dbraw/zinc/87/91/24/569879124.db2.gz LDVIQDVLEUUAAE-UHFFFAOYSA-N -1 3 466.946 5.555 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCc1cccc2ccccc21 ZINC000222800089 569891370 /nfs/dbraw/zinc/89/13/70/569891370.db2.gz RHKLLTFPUHAWGK-UHFFFAOYSA-N -1 3 495.000 5.298 40 0 JKABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1C ZINC000222802231 569891450 /nfs/dbraw/zinc/89/14/50/569891450.db2.gz MHQYGHOSDVNTDG-UHFFFAOYSA-N -1 3 472.994 5.108 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)c(C)c2)cc1C ZINC000222810290 569891713 /nfs/dbraw/zinc/89/17/13/569891713.db2.gz ZHVCYRBMWVBCJX-UHFFFAOYSA-N -1 3 488.609 5.261 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000224409471 569943703 /nfs/dbraw/zinc/94/37/03/569943703.db2.gz KQEDODHUEXDJPP-UHFFFAOYSA-N -1 3 463.386 5.075 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2Cl)cc1 ZINC000224410945 569943775 /nfs/dbraw/zinc/94/37/75/569943775.db2.gz KOOSUUDUNLLXEO-UHFFFAOYSA-N -1 3 492.000 5.687 40 0 JKABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(C)cc1C ZINC000224492338 569946167 /nfs/dbraw/zinc/94/61/67/569946167.db2.gz PSBLLPRTTISAEF-KRWDZBQOSA-N -1 3 499.445 5.144 40 0 JKABHM CC(C)C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1 ZINC000224544437 569947838 /nfs/dbraw/zinc/94/78/38/569947838.db2.gz ZUNVRKJVOBMNNA-QGZVFWFLSA-N -1 3 499.445 5.163 40 0 JKABHM Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224593113 569949840 /nfs/dbraw/zinc/94/98/40/569949840.db2.gz ZTPSDEXQXDPJFU-FTJBHMTQSA-N -1 3 489.044 6.334 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000224596699 569950006 /nfs/dbraw/zinc/95/00/06/569950006.db2.gz OLAPJVDLRRFQPI-DHIUTWEWSA-N -1 3 481.408 6.062 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000224596607 569950011 /nfs/dbraw/zinc/95/00/11/569950011.db2.gz OLAPJVDLRRFQPI-PKTZIBPZSA-N -1 3 481.408 6.062 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000224612797 569950751 /nfs/dbraw/zinc/95/07/51/569950751.db2.gz BIGJXPSBISREAN-DHIUTWEWSA-N -1 3 491.414 5.518 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000224618334 569951020 /nfs/dbraw/zinc/95/10/20/569951020.db2.gz ILLLVZRIXLHADV-XZOQPEGZSA-N -1 3 482.392 6.531 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000224617874 569951057 /nfs/dbraw/zinc/95/10/57/569951057.db2.gz CLCKAWRLZPBGCU-PKTZIBPZSA-N -1 3 482.392 6.531 40 0 JKABHM Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1Cl ZINC000224620265 569951069 /nfs/dbraw/zinc/95/10/69/569951069.db2.gz CAJQFVNVASMCOG-ZEQRLZLVSA-N -1 3 461.974 6.186 40 0 JKABHM Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1Cl ZINC000224620175 569951072 /nfs/dbraw/zinc/95/10/72/569951072.db2.gz CAJQFVNVASMCOG-RPWUZVMVSA-N -1 3 461.974 6.186 40 0 JKABHM Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1Cl ZINC000224620219 569951118 /nfs/dbraw/zinc/95/11/18/569951118.db2.gz CAJQFVNVASMCOG-BJKOFHAPSA-N -1 3 461.974 6.186 40 0 JKABHM Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224622247 569951132 /nfs/dbraw/zinc/95/11/32/569951132.db2.gz MVGWWJRNDBSVKE-FTJBHMTQSA-N -1 3 454.599 5.680 40 0 JKABHM COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224624503 569951317 /nfs/dbraw/zinc/95/13/17/569951317.db2.gz OIFKJERZTUNRHU-DNQXCXABSA-N -1 3 471.538 5.011 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000224859629 569960519 /nfs/dbraw/zinc/96/05/19/569960519.db2.gz QUSLSSIPLHVAEF-IRXDYDNUSA-N -1 3 466.813 5.442 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1nccs1 ZINC000224861898 569960578 /nfs/dbraw/zinc/96/05/78/569960578.db2.gz GKRVIUKRPRHWJK-NHCUHLMSSA-N -1 3 482.034 5.482 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1cccnc1 ZINC000224861536 569960585 /nfs/dbraw/zinc/96/05/85/569960585.db2.gz PKGJXMZMAGPUFZ-JWQCQUIFSA-N -1 3 490.032 5.479 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccco1 ZINC000224863319 569960638 /nfs/dbraw/zinc/96/06/38/569960638.db2.gz CRVBMPLYWLORDM-RPWUZVMVSA-N -1 3 479.005 5.677 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccnc1 ZINC000224862763 569960683 /nfs/dbraw/zinc/96/06/83/569960683.db2.gz SKWLHJONOCWEDD-DNQXCXABSA-N -1 3 476.005 5.420 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224863850 569960732 /nfs/dbraw/zinc/96/07/32/569960732.db2.gz OKEYMPXEYHJSOV-PKTZIBPZSA-N -1 3 481.408 6.062 40 0 JKABHM Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])n1-c1cccnc1 ZINC000224864865 569960790 /nfs/dbraw/zinc/96/07/90/569960790.db2.gz FWSZFVHHXKACQD-DHIUTWEWSA-N -1 3 461.978 5.112 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CCCCC1 ZINC000224867148 569960870 /nfs/dbraw/zinc/96/08/70/569960870.db2.gz PZUIWBOESFAGRZ-LOSJGSFVSA-N -1 3 481.065 6.541 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccccc1 ZINC000224867676 569960914 /nfs/dbraw/zinc/96/09/14/569960914.db2.gz KSOMKKBKTIHBPH-IZZNHLLZSA-N -1 3 489.044 6.084 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccccc1 ZINC000224867718 569960917 /nfs/dbraw/zinc/96/09/17/569960917.db2.gz KSOMKKBKTIHBPH-UIOOFZCWSA-N -1 3 489.044 6.084 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000224877447 569961422 /nfs/dbraw/zinc/96/14/22/569961422.db2.gz JZGBDZNYRJNNSJ-PKTZIBPZSA-N -1 3 464.953 5.548 40 0 JKABHM COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224878187 569961438 /nfs/dbraw/zinc/96/14/38/569961438.db2.gz NAHAAJIQHAOYEZ-BJKOFHAPSA-N -1 3 476.989 5.417 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000224880836 569961619 /nfs/dbraw/zinc/96/16/19/569961619.db2.gz COLOZKIDERJHGH-XZOQPEGZSA-N -1 3 465.937 6.017 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000224880765 569961657 /nfs/dbraw/zinc/96/16/57/569961657.db2.gz COLOZKIDERJHGH-GOTSBHOMSA-N -1 3 465.937 6.017 40 0 JKABHM CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224881430 569961672 /nfs/dbraw/zinc/96/16/72/569961672.db2.gz SDZHQYDKQVYPIL-JWQCQUIFSA-N -1 3 492.000 6.276 40 0 JKABHM CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224881541 569961726 /nfs/dbraw/zinc/96/17/26/569961726.db2.gz SDZHQYDKQVYPIL-DQEYMECFSA-N -1 3 492.000 6.276 40 0 JKABHM Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224882863 569961784 /nfs/dbraw/zinc/96/17/84/569961784.db2.gz RQNJUALVQUPYEK-DNQXCXABSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1Cl ZINC000224884175 569961807 /nfs/dbraw/zinc/96/18/07/569961807.db2.gz APFPIAOFTCRTOE-RPWUZVMVSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1Cl ZINC000224884257 569961853 /nfs/dbraw/zinc/96/18/53/569961853.db2.gz APFPIAOFTCRTOE-ZEQRLZLVSA-N -1 3 496.419 6.840 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000224885009 569961862 /nfs/dbraw/zinc/96/18/62/569961862.db2.gz VZXOWPTWGIHRQN-GOTSBHOMSA-N -1 3 453.011 5.924 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408594422 569965539 /nfs/dbraw/zinc/96/55/39/569965539.db2.gz RQDGESCAKWQERB-LJQANCHMSA-N -1 3 458.624 5.046 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)c1 ZINC000408595372 569966095 /nfs/dbraw/zinc/96/60/95/569966095.db2.gz RQFLCKBBRGPQLV-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1)C(=O)NC1CCCCC1 ZINC000408596697 569966929 /nfs/dbraw/zinc/96/69/29/569966929.db2.gz XMVHWLNRVBZBBO-CQSZACIVSA-N -1 3 471.406 5.010 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl ZINC000408597297 569967249 /nfs/dbraw/zinc/96/72/49/569967249.db2.gz YLNUKAQQFDFLME-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000224986608 569967354 /nfs/dbraw/zinc/96/73/54/569967354.db2.gz RIAIZFBRDJVMHQ-UHFFFAOYSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408597907 569967771 /nfs/dbraw/zinc/96/77/71/569967771.db2.gz WJCLPJLSZPKOQZ-FQEVSTJZSA-N -1 3 497.831 5.484 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(OC(F)F)cc3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408599756 569968202 /nfs/dbraw/zinc/96/82/02/569968202.db2.gz KHYBBNZQXFZJRA-UHFFFAOYSA-N -1 3 496.539 5.589 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1Cl ZINC000408601382 569969038 /nfs/dbraw/zinc/96/90/38/569969038.db2.gz GENLVPBBJCFCTD-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408611259 569972654 /nfs/dbraw/zinc/97/26/54/569972654.db2.gz WJODPFZDSQFYIP-UHFFFAOYSA-N -1 3 477.007 5.189 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)c(C)c1 ZINC000225070577 569973260 /nfs/dbraw/zinc/97/32/60/569973260.db2.gz XGPGVSFWZZLGDJ-UHFFFAOYSA-N -1 3 493.810 5.772 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)cc1C ZINC000225070173 569973297 /nfs/dbraw/zinc/97/32/97/569973297.db2.gz VFQVZRDCMCRRIH-UHFFFAOYSA-N -1 3 493.810 5.772 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc45)o3)cc2)cc1 ZINC000408616501 569975576 /nfs/dbraw/zinc/97/55/76/569975576.db2.gz GXDDCHOIAULRDZ-UHFFFAOYSA-N -1 3 456.523 5.948 40 0 JKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1 ZINC000408621704 569978430 /nfs/dbraw/zinc/97/84/30/569978430.db2.gz LXSCKILHNUOLTG-UHFFFAOYSA-N -1 3 476.520 5.992 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408623120 569979102 /nfs/dbraw/zinc/97/91/02/569979102.db2.gz OYXOEMWMJFVJHU-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1C ZINC000408627020 569980968 /nfs/dbraw/zinc/98/09/68/569980968.db2.gz XKMHQEDPWNKAEZ-UHFFFAOYSA-N -1 3 462.493 5.684 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)c(C)c2)cc1C ZINC000408674569 570009247 /nfs/dbraw/zinc/00/92/47/570009247.db2.gz ARXADMUDONZGNY-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000408674743 570009338 /nfs/dbraw/zinc/00/93/38/570009338.db2.gz BYSROLFRMSCPFF-UHFFFAOYSA-N -1 3 480.973 5.620 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(C)c2)cc1C ZINC000408674647 570009368 /nfs/dbraw/zinc/00/93/68/570009368.db2.gz DLCKMBIQLGQIQQ-UHFFFAOYSA-N -1 3 472.994 5.392 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000408674687 570009377 /nfs/dbraw/zinc/00/93/77/570009377.db2.gz BGCPBFSXZHQHAO-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)c(C)c2)cc1C ZINC000408674975 570009705 /nfs/dbraw/zinc/00/97/05/570009705.db2.gz OATJGEWZCVZEBV-UHFFFAOYSA-N -1 3 458.624 5.021 40 0 JKABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408674895 570009728 /nfs/dbraw/zinc/00/97/28/570009728.db2.gz DTEATJVQXOALIK-UHFFFAOYSA-N -1 3 458.967 5.029 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)c(C)c2)cc1 ZINC000408675094 570009956 /nfs/dbraw/zinc/00/99/56/570009956.db2.gz RKUOZJMQBCXPCI-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c(C)c2)cc1C ZINC000408675242 570010108 /nfs/dbraw/zinc/01/01/08/570010108.db2.gz SWRXALUIPFLZLU-UHFFFAOYSA-N -1 3 466.603 5.554 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)c(C)c2)cc1 ZINC000408675316 570010130 /nfs/dbraw/zinc/01/01/30/570010130.db2.gz VKRJUCNCAWBTEP-UHFFFAOYSA-N -1 3 482.602 5.254 40 0 JKABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c1 ZINC000408675408 570010295 /nfs/dbraw/zinc/01/02/95/570010295.db2.gz YFARNUSMPXEHAL-UHFFFAOYSA-N -1 3 470.616 5.152 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000408675358 570010321 /nfs/dbraw/zinc/01/03/21/570010321.db2.gz HTZGJTTUTXTOHK-UHFFFAOYSA-N -1 3 470.566 5.295 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408675910 570010386 /nfs/dbraw/zinc/01/03/86/570010386.db2.gz LTAXJGPLCWCEFT-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408675824 570010419 /nfs/dbraw/zinc/01/04/19/570010419.db2.gz KXFBLBBDUQLAAF-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000408677189 570010807 /nfs/dbraw/zinc/01/08/07/570010807.db2.gz QKTOBCSETLEGHA-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000408677041 570010871 /nfs/dbraw/zinc/01/08/71/570010871.db2.gz PMINJISVIAXEMS-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(C)c1 ZINC000408677361 570010947 /nfs/dbraw/zinc/01/09/47/570010947.db2.gz CGWODZNKYLDPRV-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccc5ccccc5c4)cc3)ccc21 ZINC000408677539 570011035 /nfs/dbraw/zinc/01/10/35/570011035.db2.gz CCGSZEYVZAZNOX-UHFFFAOYSA-N -1 3 458.539 5.342 40 0 JKABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408677707 570011128 /nfs/dbraw/zinc/01/11/28/570011128.db2.gz QWUBAIKNTQOUNK-UHFFFAOYSA-N -1 3 477.007 5.189 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408678716 570011343 /nfs/dbraw/zinc/01/13/43/570011343.db2.gz UVADAGDTJQMLJQ-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000408680029 570011979 /nfs/dbraw/zinc/01/19/79/570011979.db2.gz XWRPWCNFEJBEBH-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000408680378 570012196 /nfs/dbraw/zinc/01/21/96/570012196.db2.gz RPOBSHJGVYKMLQ-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408680613 570012332 /nfs/dbraw/zinc/01/23/32/570012332.db2.gz ODJYRWHPTSNYSS-UHFFFAOYSA-N -1 3 481.426 6.159 40 0 JKABHM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000408681840 570012703 /nfs/dbraw/zinc/01/27/03/570012703.db2.gz UJXBRCLWXAVMLQ-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408683658 570013241 /nfs/dbraw/zinc/01/32/41/570013241.db2.gz LWUMUNANGPZOGG-QHCPKHFHSA-N -1 3 475.393 5.908 40 0 JKABHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Br)cc2)=C([O-])c2ccccc2)cc1 ZINC000408686554 570014049 /nfs/dbraw/zinc/01/40/49/570014049.db2.gz RVLFZVVDMHISNN-JOCHJYFZSA-N -1 3 471.372 5.056 40 0 JKABHM Cc1ccc(C(=O)CC(=C([O-])c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408688692 570014706 /nfs/dbraw/zinc/01/47/06/570014706.db2.gz WTHTXJFAHRXURW-HSZRJFAPSA-N -1 3 485.399 5.364 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408694151 570016745 /nfs/dbraw/zinc/01/67/45/570016745.db2.gz CTYBHWJQCVRIRV-OAHLLOKOSA-N -1 3 479.385 5.509 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)cc1 ZINC000408694503 570017051 /nfs/dbraw/zinc/01/70/51/570017051.db2.gz IUUKGZGRLGWDQZ-UHFFFAOYSA-N -1 3 470.616 5.639 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1C ZINC000408694937 570017408 /nfs/dbraw/zinc/01/74/08/570017408.db2.gz KLIURVWRXDVVRR-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408695074 570017600 /nfs/dbraw/zinc/01/76/00/570017600.db2.gz OXZKCTGHALOOSM-OAQYLSRUSA-N -1 3 479.385 5.590 40 0 JKABHM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408695252 570017698 /nfs/dbraw/zinc/01/76/98/570017698.db2.gz PNGLQHWGWCIUFP-OAQYLSRUSA-N -1 3 462.930 5.076 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c(C)c1 ZINC000408695438 570017780 /nfs/dbraw/zinc/01/77/80/570017780.db2.gz UVENWMJJCVSHIC-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cc2)c(C)c1 ZINC000408695588 570017919 /nfs/dbraw/zinc/01/79/19/570017919.db2.gz WNXJOLCRFIBTTA-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408695737 570018053 /nfs/dbraw/zinc/01/80/53/570018053.db2.gz YAOSSOXNAHCKAH-JOCHJYFZSA-N -1 3 472.994 5.554 40 0 JKABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408695724 570018055 /nfs/dbraw/zinc/01/80/55/570018055.db2.gz UJLOPIYWXADYLD-AWEZNQCLSA-N -1 3 495.384 5.209 40 0 JKABHM CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408695962 570018208 /nfs/dbraw/zinc/01/82/08/570018208.db2.gz WXGOYBCJGVEHBP-UHFFFAOYSA-N -1 3 495.453 6.547 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1NC(=O)CC ZINC000408697322 570019194 /nfs/dbraw/zinc/01/91/94/570019194.db2.gz IZNUOWNAHZYTJD-UHFFFAOYSA-N -1 3 451.759 5.195 40 0 JKABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 ZINC000225760851 570020547 /nfs/dbraw/zinc/02/05/47/570020547.db2.gz ZXSDZZMXQYXQRR-UHFFFAOYSA-N -1 3 466.603 5.663 40 0 JKABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(C)C ZINC000225779357 570021147 /nfs/dbraw/zinc/02/11/47/570021147.db2.gz PDXJUZOOXSCORE-UHFFFAOYSA-N -1 3 479.642 6.456 40 0 JKABHM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408703715 570023515 /nfs/dbraw/zinc/02/35/15/570023515.db2.gz XQDXYDJZIUIKTL-CQSZACIVSA-N -1 3 465.358 5.200 40 0 JKABHM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408705290 570024568 /nfs/dbraw/zinc/02/45/68/570024568.db2.gz BLJRYTAXGNVHHT-ZDUSSCGKSA-N -1 3 483.348 5.339 40 0 JKABHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc(C)c1Cl ZINC000408705473 570024674 /nfs/dbraw/zinc/02/46/74/570024674.db2.gz GQWNAJATFXAYJX-MRXNPFEDSA-N -1 3 476.957 5.303 40 0 JKABHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000408705999 570025002 /nfs/dbraw/zinc/02/50/02/570025002.db2.gz SLCWYKNIQJOUHH-HNNXBMFYSA-N -1 3 479.385 5.509 40 0 JKABHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 ZINC000408732382 570029555 /nfs/dbraw/zinc/02/95/55/570029555.db2.gz QJPIMKRJDMSYTG-UHFFFAOYSA-N -1 3 464.952 7.423 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc(Br)c1[O-] ZINC000226244094 570037364 /nfs/dbraw/zinc/03/73/64/570037364.db2.gz ILRZVHITTBQXHI-UHFFFAOYSA-N -1 3 471.376 5.169 40 0 JKABHM CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408808397 570048329 /nfs/dbraw/zinc/04/83/29/570048329.db2.gz GEICGOYLJMSFBX-UHFFFAOYSA-N -1 3 475.397 6.965 40 0 JKABHM CCOc1cc(C=C2SC(=O)[N-]C2=O)c(Br)cc1OCc1ccccc1Cl ZINC000408854821 570056232 /nfs/dbraw/zinc/05/62/32/570056232.db2.gz JQYFROHALWNWCM-CAOOACKPSA-N -1 3 468.756 5.404 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(Cl)cc1 ZINC000408912778 570073691 /nfs/dbraw/zinc/07/36/91/570073691.db2.gz RJZJXYROKGJGRI-UHFFFAOYSA-N -1 3 455.750 5.700 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3Cl)cc2)cc1 ZINC000408922998 570077707 /nfs/dbraw/zinc/07/77/07/570077707.db2.gz IFBABGHPWBLFFL-UHFFFAOYSA-N -1 3 477.007 5.021 40 0 JKABHM Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408923854 570077990 /nfs/dbraw/zinc/07/79/90/570077990.db2.gz HKEDNLMOHAVGQQ-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408923736 570078023 /nfs/dbraw/zinc/07/80/23/570078023.db2.gz LGYDHCLUARFYJC-UHFFFAOYSA-N -1 3 464.971 5.152 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 ZINC000408924357 570078161 /nfs/dbraw/zinc/07/81/61/570078161.db2.gz HGPJDLXGKMTXIA-LJQANCHMSA-N -1 3 454.617 5.365 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3Cl)cc2)c(C)c1 ZINC000408925131 570078348 /nfs/dbraw/zinc/07/83/48/570078348.db2.gz JXKSDRVWHBXOHQ-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408927576 570078876 /nfs/dbraw/zinc/07/88/76/570078876.db2.gz XMZGBJXBGAWWAX-UHFFFAOYSA-N -1 3 464.971 5.152 40 0 JKABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000408952006 570084256 /nfs/dbraw/zinc/08/42/56/570084256.db2.gz JNDUDAIBUKHHMD-VWLOTQADSA-N -1 3 476.539 5.811 40 0 JKABHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408953116 570084488 /nfs/dbraw/zinc/08/44/88/570084488.db2.gz LNYCZFHBZIHZAX-KZULUSFZSA-N -1 3 455.304 5.570 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000408957046 570085111 /nfs/dbraw/zinc/08/51/11/570085111.db2.gz SDGDJHNJXYYJDB-SQJMNOBHSA-N -1 3 474.523 5.421 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000408958555 570085165 /nfs/dbraw/zinc/08/51/65/570085165.db2.gz YYVVXVWNQJXSTO-HYBUGGRVSA-N -1 3 460.496 5.031 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(C[C@@H](C(C)(C)C)CC2)[C@]1([O-])C(F)(F)F ZINC000409085484 570123062 /nfs/dbraw/zinc/12/30/62/570123062.db2.gz DAMYSSOBDOJQCP-MGAYLXOUSA-N -1 3 481.342 5.672 40 0 JKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409102962 570129075 /nfs/dbraw/zinc/12/90/75/570129075.db2.gz WVTZLQDIQYUDMZ-MJCKAROISA-N -1 3 467.315 5.284 40 0 JKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc(Cl)c1[O-] ZINC000409165215 570153158 /nfs/dbraw/zinc/15/31/58/570153158.db2.gz UWTGUQQCPHFYNK-SXGWCWSVSA-N -1 3 468.756 5.443 40 0 JKABHM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000409174011 570156052 /nfs/dbraw/zinc/15/60/52/570156052.db2.gz PNARYFNWZRUYKP-UHFFFAOYSA-N -1 3 454.617 5.534 40 0 JKABHM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000409177919 570157728 /nfs/dbraw/zinc/15/77/28/570157728.db2.gz DULCRMAEHOPHOU-INIZCTEOSA-N -1 3 461.008 5.569 40 0 JKABHM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000409179365 570158376 /nfs/dbraw/zinc/15/83/76/570158376.db2.gz QRIHDTNMHUPRKQ-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000409181067 570159158 /nfs/dbraw/zinc/15/91/58/570159158.db2.gz VKYJQNLSDUHQJX-LICLKQGHSA-N -1 3 469.006 6.090 40 0 JKABHM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000409181331 570159346 /nfs/dbraw/zinc/15/93/46/570159346.db2.gz BLVMZWBBPLZPMM-IBGZPJMESA-N -1 3 454.617 5.532 40 0 JKABHM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409184708 570160499 /nfs/dbraw/zinc/16/04/99/570160499.db2.gz ZKEMXDONZVEHIS-UHFFFAOYSA-N -1 3 495.453 6.224 40 0 JKABHM CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409208163 570168067 /nfs/dbraw/zinc/16/80/67/570168067.db2.gz BMSZLFOLAGIRDX-OVCLIPMQSA-N -1 3 454.729 5.448 40 0 JKABHM O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[O-] ZINC000408541609 570191628 /nfs/dbraw/zinc/19/16/28/570191628.db2.gz CJTCFISNPRXGCN-UHFFFAOYSA-N -1 3 499.423 5.660 40 0 JKABHM O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1)Nc1ccccc1[O-] ZINC000408545078 570192714 /nfs/dbraw/zinc/19/27/14/570192714.db2.gz YILJTSPHOKFLTL-UHFFFAOYSA-N -1 3 464.978 5.007 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408550056 570194877 /nfs/dbraw/zinc/19/48/77/570194877.db2.gz AZHVFVYCOMLTAM-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1 ZINC000408550972 570195139 /nfs/dbraw/zinc/19/51/39/570195139.db2.gz IPXIQIWWCNSPPQ-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1 ZINC000408551367 570195217 /nfs/dbraw/zinc/19/52/17/570195217.db2.gz HMCPAIBPDSIHKC-UHFFFAOYSA-N -1 3 484.883 5.177 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1F ZINC000408551507 570195258 /nfs/dbraw/zinc/19/52/58/570195258.db2.gz LHQQMXPVIKZIPA-UHFFFAOYSA-N -1 3 469.321 5.194 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1Cl ZINC000408552254 570195344 /nfs/dbraw/zinc/19/53/44/570195344.db2.gz KQVOAMDONZRXOI-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552954 570195666 /nfs/dbraw/zinc/19/56/66/570195666.db2.gz SULLTWPFZMLUKW-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408552803 570195670 /nfs/dbraw/zinc/19/56/70/570195670.db2.gz NYPYBQBLIRRYME-UHFFFAOYSA-N -1 3 488.993 5.038 40 0 JKABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1C ZINC000408553920 570196000 /nfs/dbraw/zinc/19/60/00/570196000.db2.gz RQITXAKEGMSSEG-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1Cl ZINC000408554924 570196587 /nfs/dbraw/zinc/19/65/87/570196587.db2.gz VOZAJPOTXJELDI-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408555767 570197101 /nfs/dbraw/zinc/19/71/01/570197101.db2.gz GDAOKLYXUVWSIP-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557017 570197942 /nfs/dbraw/zinc/19/79/42/570197942.db2.gz KKMLLMIZBOHMNY-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557150 570198103 /nfs/dbraw/zinc/19/81/03/570198103.db2.gz LKTQUIAFGMWIHV-UHFFFAOYSA-N -1 3 479.385 5.672 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558215 570198851 /nfs/dbraw/zinc/19/88/51/570198851.db2.gz PWCWLVCNLFKUME-UHFFFAOYSA-N -1 3 499.803 6.099 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1 ZINC000408558379 570198930 /nfs/dbraw/zinc/19/89/30/570198930.db2.gz RCNRWSVPGBGHPX-UHFFFAOYSA-N -1 3 465.358 5.445 40 0 JKABHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000408558744 570199232 /nfs/dbraw/zinc/19/92/32/570199232.db2.gz SSIHGVYVMAWDQH-UHFFFAOYSA-N -1 3 479.385 5.618 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559134 570199577 /nfs/dbraw/zinc/19/95/77/570199577.db2.gz LKVLNKNQGUJPDF-UHFFFAOYSA-N -1 3 466.893 5.070 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408559260 570199659 /nfs/dbraw/zinc/19/96/59/570199659.db2.gz WEVYZPDAYZEMRI-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408559747 570200005 /nfs/dbraw/zinc/20/00/05/570200005.db2.gz YKCMWSAEXVIIJV-UHFFFAOYSA-N -1 3 493.412 6.179 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1NC(=O)c1ccc(C)cc1 ZINC000408561416 570201064 /nfs/dbraw/zinc/20/10/64/570201064.db2.gz SFQHQRAXNPVASQ-UHFFFAOYSA-N -1 3 498.910 5.729 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408582561 570207042 /nfs/dbraw/zinc/20/70/42/570207042.db2.gz DFXJVXYWZSSPJL-UHFFFAOYSA-N -1 3 487.021 5.592 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 ZINC000408583941 570207430 /nfs/dbraw/zinc/20/74/30/570207430.db2.gz KSOMUOOBKYXEKM-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408584058 570207461 /nfs/dbraw/zinc/20/74/61/570207461.db2.gz LIVNOCUCXGROLN-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)c(Cl)c2)cc1 ZINC000408584364 570207576 /nfs/dbraw/zinc/20/75/76/570207576.db2.gz ORCKENVNCAUNLN-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 ZINC000408584531 570207677 /nfs/dbraw/zinc/20/76/77/570207677.db2.gz QYDKYIXUUNFUMC-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000408584887 570207778 /nfs/dbraw/zinc/20/77/78/570207778.db2.gz WEZVGWOUZUNJAQ-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)ccc1OCC ZINC000408585068 570207827 /nfs/dbraw/zinc/20/78/27/570207827.db2.gz BTAMVDLRZCOGNT-UHFFFAOYSA-N -1 3 467.758 5.415 40 0 JKABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408585574 570207972 /nfs/dbraw/zinc/20/79/72/570207972.db2.gz ZXTQLYSDZVTKSK-UHFFFAOYSA-N -1 3 458.967 5.029 40 0 JKABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408586192 570208058 /nfs/dbraw/zinc/20/80/58/570208058.db2.gz AQFKIKYEQRSRHL-UHFFFAOYSA-N -1 3 458.967 5.029 40 0 JKABHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000408587378 570208339 /nfs/dbraw/zinc/20/83/39/570208339.db2.gz BQTNTQZVWDJUAN-NRFANRHFSA-N -1 3 477.413 5.139 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(Cl)c2)cc1 ZINC000408588657 570208606 /nfs/dbraw/zinc/20/86/06/570208606.db2.gz DNMUFFJYDTUEFR-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1)N1CCCCC1 ZINC000408590692 570209041 /nfs/dbraw/zinc/20/90/41/570209041.db2.gz KJNSKVLURUPTGK-UHFFFAOYSA-N -1 3 465.575 5.084 40 0 JKABHM Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000408591610 570209242 /nfs/dbraw/zinc/20/92/42/570209242.db2.gz ITMYTBHLPNBIFG-OAQYLSRUSA-N -1 3 477.413 5.139 40 0 JKABHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000408593149 570209702 /nfs/dbraw/zinc/20/97/02/570209702.db2.gz LRWSFXHKNZZDDB-FQEVSTJZSA-N -1 3 497.831 5.484 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000020766221 195221662 /nfs/dbraw/zinc/22/16/62/195221662.db2.gz HNSLTPLZRUPTQR-UHFFFAOYSA-N -1 3 462.615 5.731 40 0 JKABHM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc21 ZINC000020767202 195222569 /nfs/dbraw/zinc/22/25/69/195222569.db2.gz XBDSFGVEFNJDHN-UHFFFAOYSA-N -1 3 495.815 6.041 40 0 JKABHM CC[C@@H](C)n1[n-]c(=O)c2c1nc(C(F)(F)F)cc2C1CCN(C(=O)c2cccs2)CC1 ZINC000057759830 195359373 /nfs/dbraw/zinc/35/93/73/195359373.db2.gz IWXVHRDRLVQNKN-GFCCVEGCSA-N -1 3 452.502 5.208 40 0 JKABHM CC[C@H](C)n1[n-]c(=O)c2c1nc(C(F)(F)F)cc2C1CCN(C(=O)c2cccs2)CC1 ZINC000057759835 195359556 /nfs/dbraw/zinc/35/95/56/195359556.db2.gz IWXVHRDRLVQNKN-LBPRGKRZSA-N -1 3 452.502 5.208 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000059133020 195389737 /nfs/dbraw/zinc/38/97/37/195389737.db2.gz KNBKSYUTNNHLHH-UHFFFAOYSA-N -1 3 458.967 5.245 40 0 JKABHM O=C(c1ccccc1[O-])N1[C@@H](c2ccccc2)Oc2c(ccc3cccnc32)[C@@H]1c1ccccc1 ZINC000059382528 195398294 /nfs/dbraw/zinc/39/82/94/195398294.db2.gz VUMPVVNIYMXIOY-BHBYDHKZSA-N -1 3 458.517 6.263 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1cccnc1 ZINC000224861577 195469218 /nfs/dbraw/zinc/46/92/18/195469218.db2.gz PKGJXMZMAGPUFZ-RPBOFIJWSA-N -1 3 490.032 5.479 40 0 JKABHM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000020452751 519022933 /nfs/dbraw/zinc/02/29/33/519022933.db2.gz LHUVALUFZSBCMB-UHFFFAOYSA-N -1 3 476.425 6.464 40 0 JKABHM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020462694 519847675 /nfs/dbraw/zinc/84/76/75/519847675.db2.gz MWPHUAVSGXZSPC-QGZVFWFLSA-N -1 3 472.994 5.670 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cccc(C)c3C)cc2)cc1 ZINC000020329959 521132774 /nfs/dbraw/zinc/13/27/74/521132774.db2.gz OZNQBLRGEJTAHO-DEOSSOPVSA-N -1 3 482.602 5.299 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(OC)cc3)cc2)cc1 ZINC000022518419 521134338 /nfs/dbraw/zinc/13/43/38/521134338.db2.gz HJZXZHJJTPDIND-KRWDZBQOSA-N -1 3 486.615 5.014 40 0 JKABHM CCCCc1ccc(-n2nc3cc(C)c(NC([S-])=NC(=O)C(Cl)(Cl)Cl)cc3n2)cc1 ZINC000022742231 521264238 /nfs/dbraw/zinc/26/42/38/521264238.db2.gz IIJQXECWOIHYGJ-UHFFFAOYSA-N -1 3 484.840 5.255 40 0 JKABHM CCCCc1ccc(-n2nc3cc(C)c(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cc3n2)cc1 ZINC000022742231 521264242 /nfs/dbraw/zinc/26/42/42/521264242.db2.gz IIJQXECWOIHYGJ-UHFFFAOYSA-N -1 3 484.840 5.255 40 0 JKABHM CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)ccc1Cl ZINC000020460750 521443927 /nfs/dbraw/zinc/44/39/27/521443927.db2.gz GSQDVDSVUGISOJ-UHFFFAOYSA-N -1 3 493.368 5.223 40 0 JKABHM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020481986 522890387 /nfs/dbraw/zinc/89/03/87/522890387.db2.gz VAVQSQXRTHDNLC-SANMLTNESA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020484699 523039322 /nfs/dbraw/zinc/03/93/22/523039322.db2.gz BVHUVCPPZMUUJA-HSZRJFAPSA-N -1 3 472.994 5.554 40 0 JKABHM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000044946047 523061970 /nfs/dbraw/zinc/06/19/70/523061970.db2.gz MNNRTIZQMNFIPG-UHFFFAOYSA-N -1 3 460.555 5.518 40 0 JKABHM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000044903059 523082665 /nfs/dbraw/zinc/08/26/65/523082665.db2.gz XFDXTXWMRABCKU-OAQYLSRUSA-N -1 3 478.998 5.789 40 0 JKABHM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000022524609 523082835 /nfs/dbraw/zinc/08/28/35/523082835.db2.gz KTIXJOWJFZPRMC-HSZRJFAPSA-N -1 3 489.062 6.267 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536899 524161708 /nfs/dbraw/zinc/16/17/08/524161708.db2.gz HFTHRONCXBSIJU-QFIPXVFZSA-N -1 3 480.630 5.286 40 0 JKABHM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000022741399 524194716 /nfs/dbraw/zinc/19/47/16/524194716.db2.gz SPZOEMANLHOUNK-UHFFFAOYSA-N -1 3 484.002 5.766 40 0 JKABHM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1 ZINC000022579781 524195771 /nfs/dbraw/zinc/19/57/71/524195771.db2.gz ZNWCMCMMLUAXJE-UHFFFAOYSA-N -1 3 467.934 5.298 40 0 JKABHM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000020456511 524249096 /nfs/dbraw/zinc/24/90/96/524249096.db2.gz JEHDRAJOVXIDOD-NRFANRHFSA-N -1 3 466.603 5.436 40 0 JKABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000006142093 524398285 /nfs/dbraw/zinc/39/82/85/524398285.db2.gz GXUHEPJLCPFTAK-BDTNDASRSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1C ZINC000022525916 524773182 /nfs/dbraw/zinc/77/31/82/524773182.db2.gz GQJGISVBCLLOLQ-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N1CCCC1=O ZINC000044846421 525080381 /nfs/dbraw/zinc/08/03/81/525080381.db2.gz RASODLXLFMGHAC-UHFFFAOYSA-N -1 3 480.630 5.091 40 0 JKABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000020493982 525103836 /nfs/dbraw/zinc/10/38/36/525103836.db2.gz GFSSHWKNUKKQBU-UHFFFAOYSA-N -1 3 497.425 5.534 40 0 JKABHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000044848680 525109828 /nfs/dbraw/zinc/10/98/28/525109828.db2.gz OSHCWAWIVFMPCU-HNNXBMFYSA-N -1 3 477.007 5.269 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1C ZINC000044902095 525302410 /nfs/dbraw/zinc/30/24/10/525302410.db2.gz LGTMBVRRVZHWBC-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)c(C)c1 ZINC000044902812 525302693 /nfs/dbraw/zinc/30/26/93/525302693.db2.gz BYZLOVCESGMRGA-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020461085 525349049 /nfs/dbraw/zinc/34/90/49/525349049.db2.gz BXMLZQDNEIWJED-DEOSSOPVSA-N -1 3 487.021 5.667 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2Cl)cc1 ZINC000020450900 525601308 /nfs/dbraw/zinc/60/13/08/525601308.db2.gz UAYKFIAFBCSOAK-GOSISDBHSA-N -1 3 456.995 5.557 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2Cl)cc1 ZINC000044840297 525601566 /nfs/dbraw/zinc/60/15/66/525601566.db2.gz JVLNYKZAWLUTJG-GOSISDBHSA-N -1 3 485.049 6.238 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2Cl)cc1 ZINC000020494768 525603777 /nfs/dbraw/zinc/60/37/77/525603777.db2.gz KSEYBXWQQLKALJ-UHFFFAOYSA-N -1 3 468.884 5.720 40 0 JKABHM O=C(NCCSc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020457850 526374063 /nfs/dbraw/zinc/37/40/63/526374063.db2.gz GSAVSDRJYJXWAP-UHFFFAOYSA-N -1 3 481.426 5.316 40 0 JKABHM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020456594 526702273 /nfs/dbraw/zinc/70/22/73/526702273.db2.gz MWYFFMMOHLZXHY-UHFFFAOYSA-N -1 3 491.012 5.983 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccs1 ZINC000006142156 527118268 /nfs/dbraw/zinc/11/82/68/527118268.db2.gz VDJMILZIOPAUCW-OTWHNJEPSA-N -1 3 478.879 5.471 40 0 JKABHM O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020456027 527248570 /nfs/dbraw/zinc/24/85/70/527248570.db2.gz IRTJJZGBASYFAI-UHFFFAOYSA-N -1 3 459.611 6.748 40 0 JKABHM Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3[O-])n2Cc2ccccc2)c(C)c1 ZINC000000650895 553732144 /nfs/dbraw/zinc/73/21/44/553732144.db2.gz XAHHDFVYAYBPHS-UHFFFAOYSA-N -1 3 458.587 5.355 40 0 JKABHM COc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1[O-] ZINC000000915881 553846004 /nfs/dbraw/zinc/84/60/04/553846004.db2.gz KYLJOHQJQQIMQR-SFHVURJKSA-N -1 3 474.586 5.385 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000001223691 553934838 /nfs/dbraw/zinc/93/48/38/553934838.db2.gz VQAXLVZQRDHRNT-UHFFFAOYSA-N -1 3 495.004 5.286 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2c(Br)cc(Br)cc2-c2ccccc2)cc1 ZINC000001713693 553984353 /nfs/dbraw/zinc/98/43/53/553984353.db2.gz ASIZBFMSUJDQBB-UHFFFAOYSA-N -1 3 481.209 5.988 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000002397458 554183616 /nfs/dbraw/zinc/18/36/16/554183616.db2.gz ZJEZDPAHFJVQDT-VXNXHJTFSA-N -1 3 462.571 5.368 40 0 JKABHM CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c1 ZINC000005946819 554497711 /nfs/dbraw/zinc/49/77/11/554497711.db2.gz NMUWORGJYLVAJY-UHFFFAOYSA-N -1 3 461.543 5.424 40 0 JKABHM CCOc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])n2-c2ccccc2)cc1 ZINC000006089884 554504189 /nfs/dbraw/zinc/50/41/89/554504189.db2.gz FPHPFGFAHQLBEQ-UHFFFAOYSA-N -1 3 496.592 5.923 40 0 JKABHM CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1OC ZINC000006135407 554507306 /nfs/dbraw/zinc/50/73/06/554507306.db2.gz SBGJWKIAQZNEAK-UHFFFAOYSA-N -1 3 488.613 5.504 40 0 JKABHM Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2[O-])cc1 ZINC000006280238 554524553 /nfs/dbraw/zinc/52/45/53/554524553.db2.gz CKOIKLNVGBBOGV-IBGZPJMESA-N -1 3 458.587 5.684 40 0 JKABHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000006446775 554541007 /nfs/dbraw/zinc/54/10/07/554541007.db2.gz QBEINMLQNLURTK-QFIPXVFZSA-N -1 3 498.302 6.608 40 0 JKABHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000006446775 554541009 /nfs/dbraw/zinc/54/10/09/554541009.db2.gz QBEINMLQNLURTK-QFIPXVFZSA-N -1 3 498.302 6.608 40 0 JKABHM O=C(c1ccccc1)[C@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000008742941 554645671 /nfs/dbraw/zinc/64/56/71/554645671.db2.gz RZUGCPXSWKNNQI-KUYWTNKVSA-N -1 3 486.527 5.136 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1F)c1ccccc1Cl ZINC000008810379 554689996 /nfs/dbraw/zinc/68/99/96/554689996.db2.gz XRQKEOBRSKDTMY-UHFFFAOYSA-N -1 3 483.746 5.295 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1F)c1ccc(F)cc1 ZINC000008810857 554691529 /nfs/dbraw/zinc/69/15/29/554691529.db2.gz BMGDPSXNAJXZEW-UHFFFAOYSA-N -1 3 490.837 5.690 40 0 JKABHM COc1c(F)c(F)c(C(=O)[N-]c2cc(-c3nc4ccccc4s3)ccc2Cl)c(F)c1F ZINC000008831813 554724072 /nfs/dbraw/zinc/72/40/72/554724072.db2.gz PIXPWXKGBRHMCY-UHFFFAOYSA-N -1 3 466.843 6.434 40 0 JKABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1cccc2c(Cl)cccc12 ZINC000008833117 554729882 /nfs/dbraw/zinc/72/98/82/554729882.db2.gz XASIOQCRCHJFBL-UHFFFAOYSA-N -1 3 473.941 6.134 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)ccc3[O-])oc2c1 ZINC000008835177 554733485 /nfs/dbraw/zinc/73/34/85/554733485.db2.gz VZVUKZLKDKXGMI-RUDMXATFSA-N -1 3 498.391 6.342 40 0 JKABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000008835163 554733600 /nfs/dbraw/zinc/73/36/00/554733600.db2.gz IOQXUMXRDGBGTM-JLHYYAGUSA-N -1 3 487.650 6.627 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)ccc3[O-])nc2c1 ZINC000008835207 554733726 /nfs/dbraw/zinc/73/37/26/554733726.db2.gz KVLQNOKQVMYQIT-UHFFFAOYSA-N -1 3 475.570 5.677 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)ccc3[O-])oc2c(C)c1 ZINC000008835194 554733734 /nfs/dbraw/zinc/73/37/34/554733734.db2.gz HYTSIAFDENKZHL-UHFFFAOYSA-N -1 3 489.597 5.979 40 0 JKABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1cc(Cl)ccc1Cl ZINC000008835213 554733766 /nfs/dbraw/zinc/73/37/66/554733766.db2.gz NGYKMEYSXGYHCX-UHFFFAOYSA-N -1 3 492.771 6.287 40 0 JKABHM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000008835191 554733809 /nfs/dbraw/zinc/73/38/09/554733809.db2.gz RUWODCWVCJWDKL-UHFFFAOYSA-N -1 3 489.597 6.123 40 0 JKABHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000009015932 554866242 /nfs/dbraw/zinc/86/62/42/554866242.db2.gz ODIDMQZZPSHRFJ-ZASNTINBSA-N -1 3 496.632 5.645 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3[O-])oc2c(C)c1 ZINC000009064902 554884431 /nfs/dbraw/zinc/88/44/31/554884431.db2.gz PTBCJEJDYJDRJQ-UHFFFAOYSA-N -1 3 465.962 5.906 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)COc4ccccc4C)ccc3[O-])oc2c(C)c1 ZINC000009064911 554884463 /nfs/dbraw/zinc/88/44/63/554884463.db2.gz PPAHNFQTOGCWRH-UHFFFAOYSA-N -1 3 461.543 5.018 40 0 JKABHM COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc(Cl)ccc1[O-] ZINC000009142432 554935893 /nfs/dbraw/zinc/93/58/93/554935893.db2.gz ZALNVLMMIAVEQL-UHFFFAOYSA-N -1 3 465.756 5.097 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000009460864 555228133 /nfs/dbraw/zinc/22/81/33/555228133.db2.gz DARZNMVGTHKPQI-BDTNDASRSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1cc(C)cc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c1 ZINC000009461129 555228642 /nfs/dbraw/zinc/22/86/42/555228642.db2.gz UEVQERKSIRJSAR-VABKMULXSA-N -1 3 477.358 5.117 40 0 JKABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000009694964 555424858 /nfs/dbraw/zinc/42/48/58/555424858.db2.gz FNXLQTMHVWWNFX-UHFFFAOYSA-N -1 3 487.002 5.236 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)cc1 ZINC000013511326 555483055 /nfs/dbraw/zinc/48/30/55/555483055.db2.gz ODJHQDUYRVGTKL-HJOGWXRNSA-N -1 3 462.933 5.180 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000013511392 555483095 /nfs/dbraw/zinc/48/30/95/555483095.db2.gz ZJEZDPAHFJVQDT-SGNDLWITSA-N -1 3 462.571 5.368 40 0 JKABHM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013513363 555484279 /nfs/dbraw/zinc/48/42/79/555484279.db2.gz VEZFHJVGNZZXTO-KXMWUTRISA-N -1 3 450.579 5.370 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1Cl ZINC000013564489 555499305 /nfs/dbraw/zinc/49/93/05/555499305.db2.gz UEOMMGWREDPZEA-FKBYEOEOSA-N -1 3 497.776 5.462 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000019933146 555550663 /nfs/dbraw/zinc/55/06/63/555550663.db2.gz KBHDUOGBSDPISQ-SFHVURJKSA-N -1 3 468.575 5.025 40 0 JKABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1C ZINC000013677890 555568858 /nfs/dbraw/zinc/56/88/58/555568858.db2.gz PCZMVKFRWUQPSX-UHFFFAOYSA-N -1 3 463.386 5.592 40 0 JKABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000020009586 555585256 /nfs/dbraw/zinc/58/52/56/555585256.db2.gz RVILDQFKBMXIHZ-HSZRJFAPSA-N -1 3 495.000 5.030 40 0 JKABHM Cc1ccc(Cl)cc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000013712291 555589358 /nfs/dbraw/zinc/58/93/58/555589358.db2.gz YFEBEVINXQOVED-FSSWDIPSSA-N -1 3 497.776 5.462 40 0 JKABHM CC[C@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3[O-])nc2c1 ZINC000010003605 555590537 /nfs/dbraw/zinc/59/05/37/555590537.db2.gz CRIKZKUHXVDGRG-AWEZNQCLSA-N -1 3 489.553 5.569 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020258 555596886 /nfs/dbraw/zinc/59/68/86/555596886.db2.gz GMBKBDKQBXTOHF-GOSISDBHSA-N -1 3 472.994 5.014 40 0 JKABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000020020438 555597301 /nfs/dbraw/zinc/59/73/01/555597301.db2.gz IEXNSBHXYRMXMV-MRXNPFEDSA-N -1 3 491.034 5.119 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000020021572 555598811 /nfs/dbraw/zinc/59/88/11/555598811.db2.gz VJDMLYTZBOYDIE-SFHVURJKSA-N -1 3 472.994 5.014 40 0 JKABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1 ZINC000020021611 555598816 /nfs/dbraw/zinc/59/88/16/555598816.db2.gz BJALGCVCGWKEKM-LJQANCHMSA-N -1 3 484.643 5.082 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000020022393 555599941 /nfs/dbraw/zinc/59/99/41/555599941.db2.gz DJTBPQCAUFPDHS-QHCPKHFHSA-N -1 3 485.005 5.022 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013748086 555607340 /nfs/dbraw/zinc/60/73/40/555607340.db2.gz TUEBVZMUJOZKPU-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013750890 555609575 /nfs/dbraw/zinc/60/95/75/555609575.db2.gz COLRNCLXYGUNNM-FSSWDIPSSA-N -1 3 469.324 5.053 40 0 JKABHM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020043140 555614783 /nfs/dbraw/zinc/61/47/83/555614783.db2.gz WJDGNDODBXHXNM-KRWDZBQOSA-N -1 3 472.994 5.339 40 0 JKABHM CCOc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020046426 555616833 /nfs/dbraw/zinc/61/68/33/555616833.db2.gz CGHNQECDYHOOFW-UHFFFAOYSA-N -1 3 487.021 5.211 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000020046145 555616889 /nfs/dbraw/zinc/61/68/89/555616889.db2.gz PMWYDIFZVFHAHR-UHFFFAOYSA-N -1 3 477.413 5.465 40 0 JKABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013777113 555617142 /nfs/dbraw/zinc/61/71/42/555617142.db2.gz ILMPGOMHZRFJFW-VJBWXMMDSA-N -1 3 483.351 5.443 40 0 JKABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020050006 555619440 /nfs/dbraw/zinc/61/94/40/555619440.db2.gz VVHLAFSLANFZHA-UHFFFAOYSA-N -1 3 464.587 5.229 40 0 JKABHM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000020050815 555620024 /nfs/dbraw/zinc/62/00/24/555620024.db2.gz VUZWZGHMBCFROI-OAHLLOKOSA-N -1 3 479.385 5.509 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)cc1 ZINC000013788094 555620131 /nfs/dbraw/zinc/62/01/31/555620131.db2.gz MBIOULGFXPJTOP-DSITVLBTSA-N -1 3 474.582 5.248 40 0 JKABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000013788141 555620154 /nfs/dbraw/zinc/62/01/54/555620154.db2.gz CICFCRFDQMHNBT-VABKMULXSA-N -1 3 498.457 5.035 40 0 JKABHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020060929 555623684 /nfs/dbraw/zinc/62/36/84/555623684.db2.gz MRCAYQKRTLMGTD-KPKJPENVSA-N -1 3 492.340 5.354 40 0 JKABHM Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020061020 555623704 /nfs/dbraw/zinc/62/37/04/555623704.db2.gz RSQYSHPWUABSOR-UHFFFAOYSA-N -1 3 495.453 5.975 40 0 JKABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000013807559 555624059 /nfs/dbraw/zinc/62/40/59/555624059.db2.gz RBBCIPDUDXIEHR-FSSWDIPSSA-N -1 3 452.432 5.065 40 0 JKABHM Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020104365 555636554 /nfs/dbraw/zinc/63/65/54/555636554.db2.gz GOXKTGHKTKTYNQ-UHFFFAOYSA-N -1 3 465.312 5.193 40 0 JKABHM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020105368 555638720 /nfs/dbraw/zinc/63/87/20/555638720.db2.gz KJLUAOUGGOAASZ-QFIPXVFZSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2Cl)cc1 ZINC000020111559 555648249 /nfs/dbraw/zinc/64/82/49/555648249.db2.gz QANKDLWMGHZZLI-UHFFFAOYSA-N -1 3 492.984 6.494 40 0 JKABHM CN(C)CCOc1cc([N-]S(=O)(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1Cl ZINC000013986675 555667092 /nfs/dbraw/zinc/66/70/92/555667092.db2.gz UIZHOFJFIOCYLH-UHFFFAOYSA-N -1 3 491.746 5.407 40 0 in-vitro JKABHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000013994467 555667944 /nfs/dbraw/zinc/66/79/44/555667944.db2.gz PUELYGHQJUYQHJ-HSZRJFAPSA-N -1 3 452.576 5.209 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000013997910 555668167 /nfs/dbraw/zinc/66/81/67/555668167.db2.gz CHSSRUMPVMMMEB-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000013998060 555668329 /nfs/dbraw/zinc/66/83/29/555668329.db2.gz BEAYCKXKSJKBHW-JOCHJYFZSA-N -1 3 452.576 5.209 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1C ZINC000010314176 555679545 /nfs/dbraw/zinc/67/95/45/555679545.db2.gz FDDBUNLZTXXXPR-UHFFFAOYSA-N -1 3 450.604 5.799 40 0 JKABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000010324650 555683665 /nfs/dbraw/zinc/68/36/65/555683665.db2.gz OOYJAJSKSBFRKO-UHFFFAOYSA-N -1 3 463.386 5.674 40 0 JKABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010331480 555688090 /nfs/dbraw/zinc/68/80/90/555688090.db2.gz YHIWKEYPTDZJFU-UHFFFAOYSA-N -1 3 498.048 5.687 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2)cc1 ZINC000010332062 555688270 /nfs/dbraw/zinc/68/82/70/555688270.db2.gz LMPOTZFMLVSYTA-UHFFFAOYSA-N -1 3 488.634 6.340 40 0 JKABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010334239 555689440 /nfs/dbraw/zinc/68/94/40/555689440.db2.gz XCKAOKWJESAJOH-UHFFFAOYSA-N -1 3 498.048 5.687 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)cc1Cl ZINC000010333939 555689451 /nfs/dbraw/zinc/68/94/51/555689451.db2.gz RNCOLYKGWBKRPT-UHFFFAOYSA-N -1 3 498.048 5.687 40 0 JKABHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000010359012 555696186 /nfs/dbraw/zinc/69/61/86/555696186.db2.gz YJWSANDCOGIBHZ-UHFFFAOYSA-N -1 3 471.022 6.010 40 0 JKABHM O=C(NC(=S)Nc1c([O-])ccc2ccccc21)c1cccc2c(Br)cccc12 ZINC000014269367 555758803 /nfs/dbraw/zinc/75/88/03/555758803.db2.gz BSSMUTACWRWLRJ-UHFFFAOYSA-N -1 3 451.345 5.588 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)ccc3[O-])oc2c1 ZINC000014270240 555761824 /nfs/dbraw/zinc/76/18/24/555761824.db2.gz WMQQVLUEYXNYGI-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM CCCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000014270248 555761886 /nfs/dbraw/zinc/76/18/86/555761886.db2.gz WACJDIQTKLNCNW-UHFFFAOYSA-N -1 3 461.543 5.424 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3[O-])nc2c1 ZINC000014270298 555762255 /nfs/dbraw/zinc/76/22/55/555762255.db2.gz DCQZAXJSMZURLD-UHFFFAOYSA-N -1 3 465.962 5.851 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000020330139 555775585 /nfs/dbraw/zinc/77/55/85/555775585.db2.gz JJASVAWNIXZKAL-QHCPKHFHSA-N -1 3 488.993 5.336 40 0 JKABHM Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)ccc3[O-])nc2c1 ZINC000014274629 555777337 /nfs/dbraw/zinc/77/73/37/555777337.db2.gz ZEKNYYKVQGCXRB-UHFFFAOYSA-N -1 3 487.968 6.442 40 0 JKABHM COc1c(C(=O)NC(=S)Nc2c([O-])ccc3ccccc32)cc2ccccc2c1Br ZINC000014274816 555778192 /nfs/dbraw/zinc/77/81/92/555778192.db2.gz VJMTYVMFLHBEMH-UHFFFAOYSA-N -1 3 481.371 5.597 40 0 JKABHM Cc1cc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000014275109 555779481 /nfs/dbraw/zinc/77/94/81/555779481.db2.gz KUXAZBQWOIYZHR-UHFFFAOYSA-N -1 3 493.588 6.154 40 0 JKABHM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000014275125 555779747 /nfs/dbraw/zinc/77/97/47/555779747.db2.gz SJPKPNJYCLXQBO-UHFFFAOYSA-N -1 3 475.570 5.815 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)ccc3[O-])nc2c1 ZINC000014275165 555779760 /nfs/dbraw/zinc/77/97/60/555779760.db2.gz YQJRGFZMUGXJLJ-UHFFFAOYSA-N -1 3 486.380 6.196 40 0 JKABHM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000014275155 555779775 /nfs/dbraw/zinc/77/97/75/555779775.db2.gz NXMRBBUIHGMSKB-UHFFFAOYSA-N -1 3 497.576 6.106 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Br)cc4)ccc3[O-])oc2c(C)c1 ZINC000014275144 555779791 /nfs/dbraw/zinc/77/97/91/555779791.db2.gz ZMNWFHIMTCBKJU-UHFFFAOYSA-N -1 3 496.386 5.707 40 0 JKABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2ccccc2c1 ZINC000014275202 555780123 /nfs/dbraw/zinc/78/01/23/555780123.db2.gz SUPORDUUFCYDES-UHFFFAOYSA-N -1 3 473.941 6.134 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000014397411 555803267 /nfs/dbraw/zinc/80/32/67/555803267.db2.gz RPBNGWCVHVOFBT-UHFFFAOYSA-N -1 3 463.603 5.347 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1C ZINC000014665133 555837121 /nfs/dbraw/zinc/83/71/21/555837121.db2.gz GXDANMFKQOAUGQ-HXUWFJFHSA-N -1 3 480.630 5.808 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014665357 555837507 /nfs/dbraw/zinc/83/75/07/555837507.db2.gz WOCIYZWPTHYCBN-FQEVSTJZSA-N -1 3 480.630 5.808 40 0 JKABHM COc1cc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)c(Cl)cc1[O-] ZINC000015016339 555857503 /nfs/dbraw/zinc/85/75/03/555857503.db2.gz PFIAOVGTMHDEDI-SGAXSIHGSA-N -1 3 459.521 5.072 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)cc3)cc2)cc1 ZINC000015439063 555909112 /nfs/dbraw/zinc/90/91/12/555909112.db2.gz LVYCZZZWTHAZIW-UHFFFAOYSA-N -1 3 477.007 5.021 40 0 JKABHM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)Cc3c(F)cccc3Cl)c2)cc1 ZINC000022523904 555930933 /nfs/dbraw/zinc/93/09/33/555930933.db2.gz WQRFCUGYNPKAFZ-UHFFFAOYSA-N -1 3 459.970 5.950 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000022532713 555932390 /nfs/dbraw/zinc/93/23/90/555932390.db2.gz YAVANJGDRZMWQP-UHFFFAOYSA-N -1 3 451.935 5.597 40 0 JKABHM COc1ccc(-c2cc(=O)[n-]c(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)n2)cc1 ZINC000022537772 555934175 /nfs/dbraw/zinc/93/41/75/555934175.db2.gz RHYJGYPAAWLSEA-UHFFFAOYSA-N -1 3 455.905 5.453 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022746164 555951128 /nfs/dbraw/zinc/95/11/28/555951128.db2.gz KAYIMOQPVBZZBM-UHFFFAOYSA-N -1 3 488.421 6.411 40 0 JKABHM Cc1ccc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000012447702 555980525 /nfs/dbraw/zinc/98/05/25/555980525.db2.gz RSUJTCOOUOELBJ-DEOSSOPVSA-N -1 3 458.359 6.206 40 0 JKABHM Cc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000012447702 555980528 /nfs/dbraw/zinc/98/05/28/555980528.db2.gz RSUJTCOOUOELBJ-DEOSSOPVSA-N -1 3 458.359 6.206 40 0 JKABHM Cc1ccc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000012447701 555980540 /nfs/dbraw/zinc/98/05/40/555980540.db2.gz RSUJTCOOUOELBJ-XMMPIXPASA-N -1 3 458.359 6.206 40 0 JKABHM Cc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000012447701 555980542 /nfs/dbraw/zinc/98/05/42/555980542.db2.gz RSUJTCOOUOELBJ-XMMPIXPASA-N -1 3 458.359 6.206 40 0 JKABHM Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2[O-])c1 ZINC000012473855 555982258 /nfs/dbraw/zinc/98/22/58/555982258.db2.gz HNHMXDNPVSCPAO-UHFFFAOYSA-N -1 3 464.978 5.641 40 0 JKABHM O=C(NC1CCCC1)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC000012635988 556095113 /nfs/dbraw/zinc/09/51/13/556095113.db2.gz YTVLMOTWDVQHOT-HHHXNRCGSA-N -1 3 471.601 5.515 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016490439 556140872 /nfs/dbraw/zinc/14/08/72/556140872.db2.gz FGAIYUDDFBQWKI-UHFFFAOYSA-N -1 3 484.883 5.177 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000016490384 556140967 /nfs/dbraw/zinc/14/09/67/556140967.db2.gz ODMRTRCONOEQSD-UHFFFAOYSA-N -1 3 485.776 5.465 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCCCC1 ZINC000026115875 556245998 /nfs/dbraw/zinc/24/59/98/556245998.db2.gz AHNNQCHUEGJMDC-UHFFFAOYSA-N -1 3 459.420 5.142 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017887969 556270006 /nfs/dbraw/zinc/27/00/06/556270006.db2.gz GZLGLBXVRQSDAT-URVUXULASA-N -1 3 453.325 5.353 40 0 JKABHM CCc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018024753 556277688 /nfs/dbraw/zinc/27/76/88/556277688.db2.gz VQZSFLRIFPUOGK-GIWBLDEGSA-N -1 3 467.352 5.607 40 0 JKABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000018033758 556278340 /nfs/dbraw/zinc/27/83/40/556278340.db2.gz GXUHEPJLCPFTAK-FSSWDIPSSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1Cl ZINC000018106844 556288476 /nfs/dbraw/zinc/28/84/76/556288476.db2.gz ONSLCKWIYPZTSG-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(CC)cc2)cc1 ZINC000018118936 556289902 /nfs/dbraw/zinc/28/99/02/556289902.db2.gz ZFEIGZFMWSEKRO-CYXNTTPDSA-N -1 3 456.542 5.089 40 0 JKABHM O=C(COc1ccc(Cl)cc1)[N-]C(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000027842067 556309047 /nfs/dbraw/zinc/30/90/47/556309047.db2.gz GVVVOZSISBMJND-UHFFFAOYSA-N -1 3 453.976 5.509 40 0 JKABHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc2N1C(=O)c1ccccc1 ZINC000028206953 556317627 /nfs/dbraw/zinc/31/76/27/556317627.db2.gz UOCBORADWFVXSY-AWEZNQCLSA-N -1 3 461.370 5.386 40 0 JKABHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000030754442 556372574 /nfs/dbraw/zinc/37/25/74/556372574.db2.gz MQLGEDIPNIITTQ-NRFANRHFSA-N -1 3 458.967 5.245 40 0 JKABHM O=C(Nc1cc(Cl)ccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030755286 556372828 /nfs/dbraw/zinc/37/28/28/556372828.db2.gz XVLPBIVDRZYNTO-UHFFFAOYSA-N -1 3 455.750 5.700 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)cc2Cl)cc1 ZINC000030757094 556373650 /nfs/dbraw/zinc/37/36/50/556373650.db2.gz PTTNBWSVRAKUAJ-SFHVURJKSA-N -1 3 456.995 5.557 40 0 JKABHM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000030849661 556376816 /nfs/dbraw/zinc/37/68/16/556376816.db2.gz WMJGNDPWPONZMG-HNNXBMFYSA-N -1 3 493.412 5.763 40 0 JKABHM O=C(Nc1ccccc1C(F)(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030854638 556379415 /nfs/dbraw/zinc/37/94/15/556379415.db2.gz GKQYKUMGBQUWFA-UHFFFAOYSA-N -1 3 454.857 5.412 40 0 JKABHM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000030855421 556379721 /nfs/dbraw/zinc/37/97/21/556379721.db2.gz NXEGOLZSZJVXRT-HNNXBMFYSA-N -1 3 493.412 5.763 40 0 JKABHM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000030855424 556379866 /nfs/dbraw/zinc/37/98/66/556379866.db2.gz NXEGOLZSZJVXRT-OAHLLOKOSA-N -1 3 493.412 5.763 40 0 JKABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c(C)c1 ZINC000030863380 556382407 /nfs/dbraw/zinc/38/24/07/556382407.db2.gz IUIZJUBMYRGVPE-UHFFFAOYSA-N -1 3 486.977 5.187 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2Cl)cc1 ZINC000030865534 556383058 /nfs/dbraw/zinc/38/30/58/556383058.db2.gz GYTNUBHBHMKGTJ-SFHVURJKSA-N -1 3 456.995 5.200 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000032100821 556416457 /nfs/dbraw/zinc/41/64/57/556416457.db2.gz RPEZYVZMVAXAHP-BBATYDOGSA-N -1 3 453.288 5.180 40 0 JKABHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100775 556416525 /nfs/dbraw/zinc/41/65/25/556416525.db2.gz ABVDHKPHIYILKL-XMMPIXPASA-N -1 3 462.512 5.277 40 0 JKABHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000059497907 569606168 /nfs/dbraw/zinc/60/61/68/569606168.db2.gz ZMZGKPHRLGCMJV-UHFFFAOYSA-N -1 3 454.598 5.310 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1F ZINC000033414816 569626140 /nfs/dbraw/zinc/62/61/40/569626140.db2.gz CKJCTWARZIIVAE-UHFFFAOYSA-N -1 3 469.321 5.194 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000033597858 569628568 /nfs/dbraw/zinc/62/85/68/569628568.db2.gz GOTTYRZVZZDNJM-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)c1 ZINC000033606052 569628650 /nfs/dbraw/zinc/62/86/50/569628650.db2.gz VZHKSCJLIRHJTL-UHFFFAOYSA-N -1 3 452.576 5.245 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1C ZINC000033658172 569629893 /nfs/dbraw/zinc/62/98/93/569629893.db2.gz HKWOJEKMROHWDE-UHFFFAOYSA-N -1 3 452.576 5.245 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000033666592 569630348 /nfs/dbraw/zinc/63/03/48/569630348.db2.gz KDHSFCPSCLJLOQ-UHFFFAOYSA-N -1 3 476.554 5.057 40 0 JKABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000033778709 569634558 /nfs/dbraw/zinc/63/45/58/569634558.db2.gz DEVDSXANANNECO-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)N[C@H](C)c3ccccc3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000034240705 569639904 /nfs/dbraw/zinc/63/99/04/569639904.db2.gz KTGNTWLMBJEIIG-LJQANCHMSA-N -1 3 458.587 5.226 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000034720478 569652407 /nfs/dbraw/zinc/65/24/07/569652407.db2.gz FJYOQUOXASNAPW-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c(C)c2)cc1 ZINC000034735706 569653963 /nfs/dbraw/zinc/65/39/63/569653963.db2.gz MPFBOCBYPHEKII-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1C ZINC000034767463 569658692 /nfs/dbraw/zinc/65/86/92/569658692.db2.gz AMLSORQPWGNGSD-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1C ZINC000034869035 569668286 /nfs/dbraw/zinc/66/82/86/569668286.db2.gz ATBSPSBCVCOLIJ-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)c1 ZINC000035107796 569675181 /nfs/dbraw/zinc/67/51/81/569675181.db2.gz ILIZWMDUGQOAKP-UHFFFAOYSA-N -1 3 452.576 5.245 40 0 JKABHM COc1cc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147369 569676010 /nfs/dbraw/zinc/67/60/10/569676010.db2.gz AASHPBRMAGGILL-DEOSSOPVSA-N -1 3 490.357 5.612 40 0 JKABHM COc1cc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147369 569676011 /nfs/dbraw/zinc/67/60/11/569676011.db2.gz AASHPBRMAGGILL-DEOSSOPVSA-N -1 3 490.357 5.612 40 0 JKABHM CCOc1nc2cccc(C(=O)OC(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000065735133 569676492 /nfs/dbraw/zinc/67/64/92/569676492.db2.gz ICTNQSYVECBWHV-UHFFFAOYSA-N -1 3 496.571 5.286 40 0 in-vitro JKABHM CCOc1nc2cccc(C(=O)OC(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000065735133 569676493 /nfs/dbraw/zinc/67/64/93/569676493.db2.gz ICTNQSYVECBWHV-UHFFFAOYSA-N -1 3 496.571 5.286 40 0 in-vitro JKABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000035351519 569681722 /nfs/dbraw/zinc/68/17/22/569681722.db2.gz CFBQIAMWYCHNHS-IARZGTGTSA-N -1 3 498.623 6.214 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc2c(c1)OCO2)CC(=O)O3 ZINC000079188711 569707015 /nfs/dbraw/zinc/70/70/15/569707015.db2.gz CINYCWKQJMPHMI-NIELWKLTSA-N -1 3 492.524 5.044 40 0 JKABHM COc1cccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079193116 569707314 /nfs/dbraw/zinc/70/73/14/569707314.db2.gz HOKYOKFKIBBOLE-HZYLBUSCSA-N -1 3 478.541 5.324 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cccc2ccccc21)CC(=O)O3 ZINC000079194154 569707340 /nfs/dbraw/zinc/70/73/40/569707340.db2.gz BAIGPTHTFBKKCQ-CXLHOFICSA-N -1 3 498.575 6.468 40 0 JKABHM C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000036006934 569747597 /nfs/dbraw/zinc/74/75/97/569747597.db2.gz POFJLUIMNQZBLM-IMSXRSKXSA-N -1 3 453.325 5.435 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000100577965 569765193 /nfs/dbraw/zinc/76/51/93/569765193.db2.gz FPAWZWCFCCVLGZ-FSSWDIPSSA-N -1 3 450.947 5.113 40 0 JKABHM Cc1cc(C)cc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000101003453 569778941 /nfs/dbraw/zinc/77/89/41/569778941.db2.gz UEVQERKSIRJSAR-ZRBLBEILSA-N -1 3 477.358 5.117 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)cc1 ZINC000101038387 569780242 /nfs/dbraw/zinc/78/02/42/569780242.db2.gz ODJHQDUYRVGTKL-SGNDLWITSA-N -1 3 462.933 5.180 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)cc1 ZINC000101038388 569780256 /nfs/dbraw/zinc/78/02/56/569780256.db2.gz ODJHQDUYRVGTKL-SMIHKQSGSA-N -1 3 462.933 5.180 40 0 JKABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)N1c2ccccc2Sc2ccccc21 ZINC000036799891 569780700 /nfs/dbraw/zinc/78/07/00/569780700.db2.gz VWKDJSFTGAETAT-UHFFFAOYSA-N -1 3 481.002 5.959 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101078982 569781795 /nfs/dbraw/zinc/78/17/95/569781795.db2.gz GZLGLBXVRQSDAT-ONTIZHBOSA-N -1 3 453.325 5.353 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(CC)cc2)cc1 ZINC000101087855 569782138 /nfs/dbraw/zinc/78/21/38/569782138.db2.gz ZFEIGZFMWSEKRO-ZNZIZOMTSA-N -1 3 456.542 5.089 40 0 JKABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101099373 569782609 /nfs/dbraw/zinc/78/26/09/569782609.db2.gz HRXCMALIDFAQLU-ZNZIZOMTSA-N -1 3 490.531 5.064 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c(C)c1 ZINC000101101393 569782895 /nfs/dbraw/zinc/78/28/95/569782895.db2.gz HBQJJBSTVTVRNC-VJBWXMMDSA-N -1 3 477.358 5.117 40 0 JKABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000101105596 569783054 /nfs/dbraw/zinc/78/30/54/569783054.db2.gz IGYJUWUTOCSWLQ-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000101190896 569786539 /nfs/dbraw/zinc/78/65/39/569786539.db2.gz FPSDNMWJSNNGOE-VABKMULXSA-N -1 3 483.351 5.443 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000101236673 569787768 /nfs/dbraw/zinc/78/77/68/569787768.db2.gz PINIHTSUYLLQKH-ZLNRFVROSA-N -1 3 450.897 5.147 40 0 JKABHM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(C)cc1 ZINC000038753096 569806451 /nfs/dbraw/zinc/80/64/51/569806451.db2.gz LOONWQKEZHTJCG-QFIPXVFZSA-N -1 3 456.995 5.639 40 0 JKABHM CCOc1cc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3CC(C)(C)CC(=O)[C@H]32)cc(Br)c1[O-] ZINC000039379182 569809653 /nfs/dbraw/zinc/80/96/53/569809653.db2.gz GIGWQKKNWZZHDR-WDNCENIBSA-N -1 3 494.429 6.962 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706271 569816420 /nfs/dbraw/zinc/81/64/20/569816420.db2.gz IWVMXDZNASXNLL-DSITVLBTSA-N -1 3 489.358 6.198 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000102717965 569817188 /nfs/dbraw/zinc/81/71/88/569817188.db2.gz GOKQVEOIHKKPNE-ACRUOGEOSA-N -1 3 483.749 5.154 40 0 JKABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102727113 569817780 /nfs/dbraw/zinc/81/77/80/569817780.db2.gz XQOMMHZCPXMMNP-XPWALMASSA-N -1 3 499.350 5.062 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000102732025 569818284 /nfs/dbraw/zinc/81/82/84/569818284.db2.gz DXAKBAZQJKEEPE-ACRUOGEOSA-N -1 3 483.749 5.154 40 0 JKABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102749420 569820635 /nfs/dbraw/zinc/82/06/35/569820635.db2.gz UWYACZATRJHYMB-UODIDJSMSA-N -1 3 490.531 5.064 40 0 JKABHM Cc1[nH]c2ccccc2c1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102755042 569821411 /nfs/dbraw/zinc/82/14/11/569821411.db2.gz ZJLRIAFKGZDUFS-TZRRMPRUSA-N -1 3 492.362 5.834 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102760640 569821991 /nfs/dbraw/zinc/82/19/91/569821991.db2.gz ZYRXTCLITDHOAN-HBMCJLEFSA-N -1 3 488.849 5.290 40 0 JKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1[O-] ZINC000106722726 569855118 /nfs/dbraw/zinc/85/51/18/569855118.db2.gz NMHWERLTWSVHKY-SXGWCWSVSA-N -1 3 468.756 5.443 40 0 JKABHM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc(Cl)c1[O-] ZINC000106726410 569855194 /nfs/dbraw/zinc/85/51/94/569855194.db2.gz KGOFDBKGMCHLAO-NVNXTCNLSA-N -1 3 454.729 5.053 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(Cl)cc1 ZINC000107946930 569858076 /nfs/dbraw/zinc/85/80/76/569858076.db2.gz CSWSGBOFZDAEKY-UHFFFAOYSA-N -1 3 484.883 5.177 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Cl ZINC000108007980 569858292 /nfs/dbraw/zinc/85/82/92/569858292.db2.gz DKTICICYJBORBK-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000108209275 569859056 /nfs/dbraw/zinc/85/90/56/569859056.db2.gz ZDGRNXUXUYZRKF-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)c1 ZINC000108198769 569859059 /nfs/dbraw/zinc/85/90/59/569859059.db2.gz NOADETQVKVCNMV-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000109072587 569860509 /nfs/dbraw/zinc/86/05/09/569860509.db2.gz FCCHJAICFWWLEI-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3Br)cc2Cl)cc1 ZINC000216348181 569878451 /nfs/dbraw/zinc/87/84/51/569878451.db2.gz MNWCGGKTTDIBBV-UHFFFAOYSA-N -1 3 479.783 5.464 40 0 JKABHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000216471803 569878983 /nfs/dbraw/zinc/87/89/83/569878983.db2.gz MDNXADYZRRZEQR-JOCHJYFZSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000216462914 569878989 /nfs/dbraw/zinc/87/89/89/569878989.db2.gz HMXRMUKCMASCOC-UHFFFAOYSA-N -1 3 463.386 5.592 40 0 JKABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 ZINC000223418131 569910602 /nfs/dbraw/zinc/91/06/02/569910602.db2.gz HSGVNAOXQKALKP-UHFFFAOYSA-N -1 3 451.588 5.641 40 0 JKABHM CC(C)(C)c1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000224409088 569943676 /nfs/dbraw/zinc/94/36/76/569943676.db2.gz IVESQUDXFNUNRV-UHFFFAOYSA-N -1 3 487.021 5.247 40 0 JKABHM Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224593063 569949806 /nfs/dbraw/zinc/94/98/06/569949806.db2.gz ZTPSDEXQXDPJFU-CLJLJLNGSA-N -1 3 489.044 6.334 40 0 JKABHM Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224593205 569949812 /nfs/dbraw/zinc/94/98/12/569949812.db2.gz ZTPSDEXQXDPJFU-UIOOFZCWSA-N -1 3 489.044 6.334 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224595950 569949923 /nfs/dbraw/zinc/94/99/23/569949923.db2.gz QCEQZGYZAKFSNX-GOTSBHOMSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224596098 569949944 /nfs/dbraw/zinc/94/99/44/569949944.db2.gz QCEQZGYZAKFSNX-DHIUTWEWSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000224612751 569950756 /nfs/dbraw/zinc/95/07/56/569950756.db2.gz BIGJXPSBISREAN-XZOQPEGZSA-N -1 3 491.414 5.518 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000224612599 569950762 /nfs/dbraw/zinc/95/07/62/569950762.db2.gz GRADUQSDCBGIAI-DHIUTWEWSA-N -1 3 491.414 5.518 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000224615137 569950881 /nfs/dbraw/zinc/95/08/81/569950881.db2.gz NLPNBCYOMJRLNG-SVBPBHIXSA-N -1 3 462.578 5.908 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000224616672 569950918 /nfs/dbraw/zinc/95/09/18/569950918.db2.gz CEQIXDRMXQISLB-PKTZIBPZSA-N -1 3 492.398 5.987 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000224617831 569950981 /nfs/dbraw/zinc/95/09/81/569950981.db2.gz CLCKAWRLZPBGCU-GOTSBHOMSA-N -1 3 482.392 6.531 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000224618086 569951016 /nfs/dbraw/zinc/95/10/16/569951016.db2.gz KTNVINFGTDWUGF-PKTZIBPZSA-N -1 3 482.392 6.531 40 0 JKABHM Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224619706 569951061 /nfs/dbraw/zinc/95/10/61/569951061.db2.gz XZTHFYWSWYHFPS-DNQXCXABSA-N -1 3 461.974 6.186 40 0 JKABHM Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224622201 569951126 /nfs/dbraw/zinc/95/11/26/569951126.db2.gz MVGWWJRNDBSVKE-CLJLJLNGSA-N -1 3 454.599 5.680 40 0 JKABHM Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224622338 569951153 /nfs/dbraw/zinc/95/11/53/569951153.db2.gz MVGWWJRNDBSVKE-UIOOFZCWSA-N -1 3 454.599 5.680 40 0 JKABHM COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224624114 569951276 /nfs/dbraw/zinc/95/12/76/569951276.db2.gz QFVYWHLJJXXPAW-RPWUZVMVSA-N -1 3 471.538 5.011 40 0 JKABHM COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224624157 569951292 /nfs/dbraw/zinc/95/12/92/569951292.db2.gz QFVYWHLJJXXPAW-BJKOFHAPSA-N -1 3 471.538 5.011 40 0 JKABHM COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224624066 569951315 /nfs/dbraw/zinc/95/13/15/569951315.db2.gz QFVYWHLJJXXPAW-DNQXCXABSA-N -1 3 471.538 5.011 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000224859444 569960506 /nfs/dbraw/zinc/96/05/06/569960506.db2.gz FCZJMPSPEHDKGD-IRXDYDNUSA-N -1 3 466.813 5.442 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000224859529 569960541 /nfs/dbraw/zinc/96/05/41/569960541.db2.gz FCZJMPSPEHDKGD-DLBZAZTESA-N -1 3 466.813 5.442 40 0 JKABHM Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])nc1 ZINC000224862114 569960632 /nfs/dbraw/zinc/96/06/32/569960632.db2.gz VVKYNRUBZIULJX-PKTZIBPZSA-N -1 3 461.978 5.112 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccncc1 ZINC000224861790 569960595 /nfs/dbraw/zinc/96/05/95/569960595.db2.gz ONGIEWLSKJDTKD-LOSJGSFVSA-N -1 3 490.032 5.479 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccnc1 ZINC000224862843 569960663 /nfs/dbraw/zinc/96/06/63/569960663.db2.gz SKWLHJONOCWEDD-BJKOFHAPSA-N -1 3 476.005 5.420 40 0 JKABHM Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])nc1 ZINC000224862075 569960672 /nfs/dbraw/zinc/96/06/72/569960672.db2.gz VVKYNRUBZIULJX-DHIUTWEWSA-N -1 3 461.978 5.112 40 0 JKABHM COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224863640 569960699 /nfs/dbraw/zinc/96/06/99/569960699.db2.gz DROQPNPNOQYWQL-DNQXCXABSA-N -1 3 476.989 5.417 40 0 JKABHM Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224864163 569960712 /nfs/dbraw/zinc/96/07/12/569960712.db2.gz IISQDSYKTWVTJI-DNQXCXABSA-N -1 3 460.990 5.717 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224863462 569960730 /nfs/dbraw/zinc/96/07/30/569960730.db2.gz GXNVABJEPWCWOS-GOTSBHOMSA-N -1 3 499.398 6.201 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224863582 569960741 /nfs/dbraw/zinc/96/07/41/569960741.db2.gz GXNVABJEPWCWOS-DHIUTWEWSA-N -1 3 499.398 6.201 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000224865476 569960794 /nfs/dbraw/zinc/96/07/94/569960794.db2.gz MOTVIZLFCXWEKW-YADHBBJMSA-N -1 3 450.951 5.061 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 ZINC000224876028 569961297 /nfs/dbraw/zinc/96/12/97/569961297.db2.gz BOOMJMPIDSMIJL-PKTZIBPZSA-N -1 3 453.011 5.924 40 0 JKABHM Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224876383 569961325 /nfs/dbraw/zinc/96/13/25/569961325.db2.gz YXSDZSHLAJANOK-RPWUZVMVSA-N -1 3 460.990 5.717 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000224878280 569961398 /nfs/dbraw/zinc/96/13/98/569961398.db2.gz GMJIXCNBMSIJQQ-DHIUTWEWSA-N -1 3 462.962 5.114 40 0 JKABHM COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224878111 569961408 /nfs/dbraw/zinc/96/14/08/569961408.db2.gz NAHAAJIQHAOYEZ-DNQXCXABSA-N -1 3 476.989 5.417 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000224879797 569961559 /nfs/dbraw/zinc/96/15/59/569961559.db2.gz PMBZMJLVECMUMJ-FCHUYYIVSA-N -1 3 482.396 5.457 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000224879898 569961565 /nfs/dbraw/zinc/96/15/65/569961565.db2.gz CYRWJXSENHBJGF-SVBPBHIXSA-N -1 3 497.023 6.562 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000224880016 569961594 /nfs/dbraw/zinc/96/15/94/569961594.db2.gz CYRWJXSENHBJGF-KAYWLYCHSA-N -1 3 497.023 6.562 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000224880263 569961622 /nfs/dbraw/zinc/96/16/22/569961622.db2.gz OLJQXJPLURXMPI-GOTSBHOMSA-N -1 3 480.014 6.362 40 0 JKABHM Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1Cl ZINC000224884219 569961827 /nfs/dbraw/zinc/96/18/27/569961827.db2.gz APFPIAOFTCRTOE-BJKOFHAPSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224885908 569961883 /nfs/dbraw/zinc/96/18/83/569961883.db2.gz CCNADLNGJALQDX-CLJLJLNGSA-N -1 3 489.044 6.334 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000408594421 569965554 /nfs/dbraw/zinc/96/55/54/569965554.db2.gz RQDGESCAKWQERB-IBGZPJMESA-N -1 3 458.624 5.046 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl ZINC000408595203 569965925 /nfs/dbraw/zinc/96/59/25/569965925.db2.gz UGNUONJSUNPLPL-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C ZINC000408595250 569966072 /nfs/dbraw/zinc/96/60/72/569966072.db2.gz UNMOKTOGWOVLCS-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1)N1CCCCCC1 ZINC000408596168 569966794 /nfs/dbraw/zinc/96/67/94/569966794.db2.gz RLCGFZWCRIYGCJ-UHFFFAOYSA-N -1 3 475.920 5.568 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1Cl ZINC000408597267 569967290 /nfs/dbraw/zinc/96/72/90/569967290.db2.gz YGLKPQSWOIAIMG-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CSc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408601044 569968922 /nfs/dbraw/zinc/96/89/22/569968922.db2.gz DUTMHAPFMWXZGP-FQEVSTJZSA-N -1 3 495.453 5.244 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1Cl ZINC000408605100 569970598 /nfs/dbraw/zinc/97/05/98/569970598.db2.gz MOJIKEAVWMJMPF-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000225036760 569970779 /nfs/dbraw/zinc/97/07/79/569970779.db2.gz QWCKNHSYTFIDGL-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000225036966 569970849 /nfs/dbraw/zinc/97/08/49/569970849.db2.gz UPLRFNQUSGSKGZ-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1OC ZINC000225045019 569971563 /nfs/dbraw/zinc/97/15/63/569971563.db2.gz LMHWYTMHJLLWCD-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM CCOc1cc(CNc2ccc(Br)cc2C)cc(I)c1[O-] ZINC000408608401 569971725 /nfs/dbraw/zinc/97/17/25/569971725.db2.gz LLIMUPHIGHABBE-UHFFFAOYSA-N -1 3 462.125 5.079 40 0 JKABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OCC ZINC000225061171 569972632 /nfs/dbraw/zinc/97/26/32/569972632.db2.gz VQUFNZUOEUXBHW-UHFFFAOYSA-N -1 3 468.575 5.154 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 ZINC000408627061 569980953 /nfs/dbraw/zinc/98/09/53/569980953.db2.gz XTAQCPYRHYOSFZ-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c(Cl)c2)cc1 ZINC000408635713 569986074 /nfs/dbraw/zinc/98/60/74/569986074.db2.gz HRPDYHJLMRPCQX-UHFFFAOYSA-N -1 3 488.993 5.290 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408635710 569986109 /nfs/dbraw/zinc/98/61/09/569986109.db2.gz HPCCHVJYMNLYKW-UHFFFAOYSA-N -1 3 488.993 5.038 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408636345 569986538 /nfs/dbraw/zinc/98/65/38/569986538.db2.gz OPYATNABCOLORS-UHFFFAOYSA-N -1 3 450.560 5.214 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(Cl)c2)cc1 ZINC000408636476 569986680 /nfs/dbraw/zinc/98/66/80/569986680.db2.gz QURWUVKBIQBEQI-UHFFFAOYSA-N -1 3 488.993 5.092 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000408674764 570009554 /nfs/dbraw/zinc/00/95/54/570009554.db2.gz HEPULZRQAHWVNC-UHFFFAOYSA-N -1 3 488.993 5.092 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000408674908 570009694 /nfs/dbraw/zinc/00/96/94/570009694.db2.gz DVCNLMXDBMMQCH-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)c(C)c2)cc1C ZINC000408674927 570009722 /nfs/dbraw/zinc/00/97/22/570009722.db2.gz MTTACJSCAVRSKN-UHFFFAOYSA-N -1 3 493.412 5.737 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(C)c2)cc1C ZINC000408675106 570009950 /nfs/dbraw/zinc/00/99/50/570009950.db2.gz RUGVRHHDTZUQHU-UHFFFAOYSA-N -1 3 493.412 5.737 40 0 JKABHM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408675342 570010146 /nfs/dbraw/zinc/01/01/46/570010146.db2.gz HTMFYNJIXWIWIL-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)c(C)c2)cc1C ZINC000408675404 570010224 /nfs/dbraw/zinc/01/02/24/570010224.db2.gz XZEOCPXZUAPZIF-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(C)C ZINC000225626181 570010593 /nfs/dbraw/zinc/01/05/93/570010593.db2.gz AOOOHKQHJZDZOQ-UHFFFAOYSA-N -1 3 494.657 6.478 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cc2)cc1C ZINC000408677276 570011038 /nfs/dbraw/zinc/01/10/38/570011038.db2.gz BDCPBFXSHRSCQE-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408678294 570011212 /nfs/dbraw/zinc/01/12/12/570011212.db2.gz FBNPUDABDUVHDY-HNNXBMFYSA-N -1 3 479.385 5.509 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408678295 570011241 /nfs/dbraw/zinc/01/12/41/570011241.db2.gz FBNPUDABDUVHDY-OAHLLOKOSA-N -1 3 479.385 5.509 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000408679406 570011691 /nfs/dbraw/zinc/01/16/91/570011691.db2.gz WNWRBPYSXIKTEX-UHFFFAOYSA-N -1 3 452.576 5.156 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408680053 570011956 /nfs/dbraw/zinc/01/19/56/570011956.db2.gz YDLFBJSUNUCFLQ-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1 ZINC000408681001 570012473 /nfs/dbraw/zinc/01/24/73/570012473.db2.gz VOSKGOFTIAMIKR-UHFFFAOYSA-N -1 3 452.576 5.111 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCCCC1 ZINC000408693373 570016035 /nfs/dbraw/zinc/01/60/35/570016035.db2.gz QSMMBQBRXISEKV-UHFFFAOYSA-N -1 3 477.797 5.082 40 0 JKABHM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408695251 570017686 /nfs/dbraw/zinc/01/76/86/570017686.db2.gz PNGLQHWGWCIUFP-NRFANRHFSA-N -1 3 462.930 5.076 40 0 JKABHM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408695460 570017816 /nfs/dbraw/zinc/01/78/16/570017816.db2.gz VNGJFCWCLJPFRA-JOCHJYFZSA-N -1 3 493.412 5.899 40 0 JKABHM O=C([N-]c1cc(Cl)ccc1Oc1ccccc1)c1snnc1-c1ccc(Br)cc1 ZINC000225786023 570021631 /nfs/dbraw/zinc/02/16/31/570021631.db2.gz FQGJPXHFMOREOH-UHFFFAOYSA-N -1 3 486.778 6.666 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 ZINC000408702081 570022261 /nfs/dbraw/zinc/02/22/61/570022261.db2.gz BLYAWFUXRSKSQX-QGZVFWFLSA-N -1 3 488.993 5.172 40 0 JKABHM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408702097 570022295 /nfs/dbraw/zinc/02/22/95/570022295.db2.gz BUBDUJBMXUXSQH-UHFFFAOYSA-N -1 3 493.412 5.900 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc2n1Cc1ccccc1Cl ZINC000225801398 570022484 /nfs/dbraw/zinc/02/24/84/570022484.db2.gz PTWNDJOTBPLYIF-UHFFFAOYSA-N -1 3 499.828 5.872 40 0 JKABHM COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)oc21 ZINC000408703546 570023359 /nfs/dbraw/zinc/02/33/59/570023359.db2.gz SKQMYGLQRWFUCB-UHFFFAOYSA-N -1 3 450.516 5.111 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000408705411 570024557 /nfs/dbraw/zinc/02/45/57/570024557.db2.gz FBZKHBKHRWBXLZ-LJQANCHMSA-N -1 3 487.021 5.780 40 0 JKABHM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000408705657 570024872 /nfs/dbraw/zinc/02/48/72/570024872.db2.gz KQUKNRLZHIROQA-UHFFFAOYSA-N -1 3 458.967 5.247 40 0 JKABHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000408706000 570024963 /nfs/dbraw/zinc/02/49/63/570024963.db2.gz SLCWYKNIQJOUHH-OAHLLOKOSA-N -1 3 479.385 5.509 40 0 JKABHM Cc1sc2nc(-c3ccc(OCc4ccc(F)cc4)c(Br)c3)[n-]c(=O)c2c1C ZINC000408734075 570029843 /nfs/dbraw/zinc/02/98/43/570029843.db2.gz CVHGNVXZJKNTLZ-UHFFFAOYSA-N -1 3 459.340 6.161 40 0 JKABHM Cc1cc(NC(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc(Br)c1[O-] ZINC000226243425 570037209 /nfs/dbraw/zinc/03/72/09/570037209.db2.gz ZQRRFDMRHVYKOU-QPJJXVBHSA-N -1 3 467.146 6.682 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc(Br)c1[O-] ZINC000226244102 570037358 /nfs/dbraw/zinc/03/73/58/570037358.db2.gz SSXPCRPNTOGMFO-UHFFFAOYSA-N -1 3 471.376 5.169 40 0 JKABHM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Br)ccc2[O-])SC1Nc1ccccc1 ZINC000408805442 570047248 /nfs/dbraw/zinc/04/72/48/570047248.db2.gz KBKHUEJDQVJQGU-WENSYSQISA-N -1 3 472.428 6.209 40 0 JKABHM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408807399 570047952 /nfs/dbraw/zinc/04/79/52/570047952.db2.gz CHJGGVKJNBRWOZ-UHFFFAOYSA-N -1 3 495.815 7.229 40 0 JKABHM CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc(Cl)c1[O-] ZINC000408812919 570049548 /nfs/dbraw/zinc/04/95/48/570049548.db2.gz PVBLLWQUEBAMBO-MAKSOAMOSA-N -1 3 472.030 6.498 40 0 JKABHM CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc(Cl)c1[O-] ZINC000408812922 570049581 /nfs/dbraw/zinc/04/95/81/570049581.db2.gz PVBLLWQUEBAMBO-ZIRSXLEASA-N -1 3 472.030 6.498 40 0 JKABHM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408920376 570076883 /nfs/dbraw/zinc/07/68/83/570076883.db2.gz FJGDKULKLWNYJU-UHFFFAOYSA-N -1 3 495.453 5.975 40 0 JKABHM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408921018 570077148 /nfs/dbraw/zinc/07/71/48/570077148.db2.gz QYZCWRBFBLNBRG-CQSZACIVSA-N -1 3 481.426 5.914 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)cc1C ZINC000408921055 570077223 /nfs/dbraw/zinc/07/72/23/570077223.db2.gz RKAVEVOXWZXVLH-IBGZPJMESA-N -1 3 454.617 5.365 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1C ZINC000408921056 570077234 /nfs/dbraw/zinc/07/72/34/570077234.db2.gz RKAVEVOXWZXVLH-LJQANCHMSA-N -1 3 454.617 5.365 40 0 JKABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408922731 570077684 /nfs/dbraw/zinc/07/76/84/570077684.db2.gz RMMNETHPXWYWNI-VGOFMYFVSA-N -1 3 477.369 5.455 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000408924355 570078177 /nfs/dbraw/zinc/07/81/77/570078177.db2.gz HGPJDLXGKMTXIA-IBGZPJMESA-N -1 3 454.617 5.365 40 0 JKABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408925779 570078477 /nfs/dbraw/zinc/07/84/77/570078477.db2.gz PSVZGDZAMJAHQJ-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000408927194 570078796 /nfs/dbraw/zinc/07/87/96/570078796.db2.gz UAGANEGYRFXMSH-UHFFFAOYSA-N -1 3 454.617 5.285 40 0 JKABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000408958225 570085130 /nfs/dbraw/zinc/08/51/30/570085130.db2.gz XXYNVVBJUNNWFR-SANMLTNESA-N -1 3 490.566 6.201 40 0 JKABHM O=C1[N-][C@@H](c2cccc(OCc3ccccc3Cl)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000408974577 570089452 /nfs/dbraw/zinc/08/94/52/570089452.db2.gz BOGNNKQMWPYYQF-NRFANRHFSA-N -1 3 480.014 6.355 40 0 JKABHM COc1c(Br)cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc1Br ZINC000408990139 570093834 /nfs/dbraw/zinc/09/38/34/570093834.db2.gz MUFBNFORPOSGLF-UHFFFAOYSA-N -1 3 498.240 6.257 40 0 JKABHM O=c1[n-]c(-c2ccc(Sc3nnnn3-c3ccccc3)o2)nc2sc3c(c21)CCCCC3 ZINC000408994281 570094970 /nfs/dbraw/zinc/09/49/70/570094970.db2.gz YYPPIGCPGUBSPQ-UHFFFAOYSA-N -1 3 462.560 5.053 40 0 JKABHM O=C1[N-]C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1c1ccccc1 ZINC000409019348 570102416 /nfs/dbraw/zinc/10/24/16/570102416.db2.gz YUOOFWAYEZECAT-GZTJUZNOSA-N -1 3 475.751 5.944 40 0 JKABHM COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4ccccc4OCC(=O)[O-])CC3)[C@H](C)O[C@H]21 ZINC000257215631 570112790 /nfs/dbraw/zinc/11/27/90/570112790.db2.gz CQYNMEBBJOKNCV-NDIWIEOSSA-N -1 3 495.616 5.078 40 0 JKABHM COCCC(=O)N[C@@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2ccc(Cl)cc2)C1 ZINC000257221790 570114589 /nfs/dbraw/zinc/11/45/89/570114589.db2.gz DQMSXJYJVWMQRG-TUNNFDKTSA-N -1 3 482.802 5.312 40 0 JKABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409072830 570118973 /nfs/dbraw/zinc/11/89/73/570118973.db2.gz DUSFKDQVUSEJLO-LICLKQGHSA-N -1 3 478.129 6.113 40 0 JKABHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000409096896 570126986 /nfs/dbraw/zinc/12/69/86/570126986.db2.gz FFGITMJJOZETCR-TXBYWVTISA-N -1 3 454.533 5.409 40 0 JKABHM CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCCN(Cc4ccc(-c5ccc(C(=O)[O-])c(O)c5)o4)[C@@H]3C[C@H]21 ZINC000257304374 570139759 /nfs/dbraw/zinc/13/97/59/570139759.db2.gz SLIRLYMJEWVKSW-VLHNATBGSA-N -1 3 489.568 5.632 40 0 JKABHM O=C1[N-]C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)S1 ZINC000409138935 570143655 /nfs/dbraw/zinc/14/36/55/570143655.db2.gz KDSAFJBSJCDSDG-GRSHGNNSSA-N -1 3 491.794 5.850 40 0 JKABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCCN(Cc4ccc(OCC(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000257322206 570145264 /nfs/dbraw/zinc/14/52/64/570145264.db2.gz WFAGDKUCWBAFEL-VLOWTAQSSA-N -1 3 471.981 5.085 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000409166439 570153494 /nfs/dbraw/zinc/15/34/94/570153494.db2.gz FTJQSHUTBPRJHG-UHFFFAOYSA-N -1 3 497.403 6.714 40 0 JKABHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000409167485 570153769 /nfs/dbraw/zinc/15/37/69/570153769.db2.gz MOKALWLFYHQKPM-OAHLLOKOSA-N -1 3 495.453 6.222 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)cc1 ZINC000409173988 570156087 /nfs/dbraw/zinc/15/60/87/570156087.db2.gz OUUHCVNORFZZDN-UHFFFAOYSA-N -1 3 470.616 5.315 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1Br ZINC000409175235 570156624 /nfs/dbraw/zinc/15/66/24/570156624.db2.gz ZGDCJRCQFBZTCP-UHFFFAOYSA-N -1 3 476.436 5.798 40 0 JKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409180258 570158732 /nfs/dbraw/zinc/15/87/32/570158732.db2.gz VPWTWNLPZMLZOH-SIFCLUCFSA-N -1 3 462.965 5.485 40 0 JKABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)[C@@]2([O-])C(F)(F)F ZINC000409181642 570159532 /nfs/dbraw/zinc/15/95/32/570159532.db2.gz FGPBTHAYZWSYAP-SAQVGAHLSA-N -1 3 474.523 5.277 40 0 JKABHM O=C1[N-]C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409229937 570177258 /nfs/dbraw/zinc/17/72/58/570177258.db2.gz WCEXDVYCXVUXHE-LICLKQGHSA-N -1 3 478.129 6.113 40 0 JKABHM CCN(CC)c1ccc(-c2nc3ccccc3c(=O)[n-]2)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000409255056 570186823 /nfs/dbraw/zinc/18/68/23/570186823.db2.gz GXURILIPYXABLJ-UHFFFAOYSA-N -1 3 468.384 6.734 40 0 JKABHM CC(C)(C)c1ccc(OCCOc2cc(Br)ccc2-c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000409258205 570187279 /nfs/dbraw/zinc/18/72/79/570187279.db2.gz UEFFXKLSNFFMRM-UHFFFAOYSA-N -1 3 493.401 6.520 40 0 JKABHM O=c1[n-]c(-c2ccc(-c3ccc(I)cc3)o2)nc2sc3c(c21)CCCC3 ZINC000409272044 570189395 /nfs/dbraw/zinc/18/93/95/570189395.db2.gz NXRBRJAYNUDYJN-UHFFFAOYSA-N -1 3 474.323 5.807 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408541324 570191630 /nfs/dbraw/zinc/19/16/30/570191630.db2.gz AHGSKSDRWFFHHN-UHFFFAOYSA-N -1 3 464.978 5.641 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3F)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408541819 570191732 /nfs/dbraw/zinc/19/17/32/570191732.db2.gz FBBRFWVFKBLMJC-UHFFFAOYSA-N -1 3 484.503 5.405 40 0 JKABHM CCn1c(SCC(=O)Nc2ccc(C(F)F)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000408544235 570192324 /nfs/dbraw/zinc/19/23/24/570192324.db2.gz UIYYPIINXIBSJW-UHFFFAOYSA-N -1 3 483.338 5.102 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408545459 570192800 /nfs/dbraw/zinc/19/28/00/570192800.db2.gz QULSOSIGSNFOAY-YLJYHZDGSA-N -1 3 450.608 5.044 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1 ZINC000408550303 570194848 /nfs/dbraw/zinc/19/48/48/570194848.db2.gz CMSYSBHFIGMCJO-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000408550292 570194867 /nfs/dbraw/zinc/19/48/67/570194867.db2.gz CKQMOLUVKNWKSU-UHFFFAOYSA-N -1 3 458.967 5.273 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408551201 570195114 /nfs/dbraw/zinc/19/51/14/570195114.db2.gz JJNVZQGMWFGRAN-UHFFFAOYSA-N -1 3 458.967 5.525 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408551639 570195233 /nfs/dbraw/zinc/19/52/33/570195233.db2.gz LRPNGPPRKFYJKF-UHFFFAOYSA-N -1 3 458.967 5.327 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)NC1CCCCC1 ZINC000408552150 570195356 /nfs/dbraw/zinc/19/53/56/570195356.db2.gz ORVRGNLOMXUTGE-UHFFFAOYSA-N -1 3 475.825 5.819 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1C ZINC000408554071 570196099 /nfs/dbraw/zinc/19/60/99/570196099.db2.gz BJJYVOSVPISRRX-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1ccc(C)cc1 ZINC000408554590 570196365 /nfs/dbraw/zinc/19/63/65/570196365.db2.gz CNQQJXKDPCHYOK-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555100 570196743 /nfs/dbraw/zinc/19/67/43/570196743.db2.gz DLABXAQZRLVLHR-UHFFFAOYSA-N -1 3 458.967 5.354 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1F ZINC000408555103 570196753 /nfs/dbraw/zinc/19/67/53/570196753.db2.gz DLSAIQPZEFITBG-UHFFFAOYSA-N -1 3 483.348 5.584 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408556628 570197559 /nfs/dbraw/zinc/19/75/59/570197559.db2.gz IUSKCSPHFLQUKK-UHFFFAOYSA-N -1 3 487.021 6.224 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408556800 570197708 /nfs/dbraw/zinc/19/77/08/570197708.db2.gz JWMKCIVBTQHEHR-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557156 570198091 /nfs/dbraw/zinc/19/80/91/570198091.db2.gz LPEJXXXPUHDQBM-UHFFFAOYSA-N -1 3 499.803 6.017 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)NC1CCCCC1 ZINC000408558278 570198879 /nfs/dbraw/zinc/19/88/79/570198879.db2.gz QEXFIMMFLGVXOA-UHFFFAOYSA-N -1 3 478.614 5.437 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1F ZINC000408558431 570198948 /nfs/dbraw/zinc/19/89/48/570198948.db2.gz RSNTXQAQMXQBIZ-UHFFFAOYSA-N -1 3 483.348 5.584 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000408558326 570198975 /nfs/dbraw/zinc/19/89/75/570198975.db2.gz QOJPZQZJGVXCKC-UHFFFAOYSA-N -1 3 487.021 6.134 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1F ZINC000408558420 570198991 /nfs/dbraw/zinc/19/89/91/570198991.db2.gz ROXVBODFMHHDNC-UHFFFAOYSA-N -1 3 456.539 5.401 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408558902 570199330 /nfs/dbraw/zinc/19/93/30/570199330.db2.gz UKRINTPEZDJXTQ-UHFFFAOYSA-N -1 3 470.566 5.620 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1Cl ZINC000408559052 570199449 /nfs/dbraw/zinc/19/94/49/570199449.db2.gz VFGKWXMAUGYCER-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000408559187 570199497 /nfs/dbraw/zinc/19/94/97/570199497.db2.gz VXUFWKDEUBTSHW-UHFFFAOYSA-N -1 3 462.930 5.239 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559451 570199815 /nfs/dbraw/zinc/19/98/15/570199815.db2.gz XEMSUJSFJIQISH-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559741 570200044 /nfs/dbraw/zinc/20/00/44/570200044.db2.gz YILFYEOGJAWDMB-UHFFFAOYSA-N -1 3 487.021 5.917 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408560395 570200324 /nfs/dbraw/zinc/20/03/24/570200324.db2.gz OWUUGOGMRJVVJC-UHFFFAOYSA-N -1 3 488.565 5.606 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1NC(=O)c1ccccc1C ZINC000408562364 570201721 /nfs/dbraw/zinc/20/17/21/570201721.db2.gz ZICNXWDOUNTZFF-UHFFFAOYSA-N -1 3 498.910 5.729 40 0 JKABHM Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408564538 570202616 /nfs/dbraw/zinc/20/26/16/570202616.db2.gz ZFXZKSZJTXYENP-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)c(Cl)c2)cc1 ZINC000408582588 570207009 /nfs/dbraw/zinc/20/70/09/570207009.db2.gz DLANXMMAJZVANG-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)c(Cl)c2)cc1 ZINC000408583748 570207436 /nfs/dbraw/zinc/20/74/36/570207436.db2.gz JOPKQSDHMZNGPP-UHFFFAOYSA-N -1 3 487.021 5.899 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(Cl)c2)cc1 ZINC000408584827 570207805 /nfs/dbraw/zinc/20/78/05/570207805.db2.gz VPFMSJQSKZIYCG-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)ccc1OC ZINC000408585029 570207825 /nfs/dbraw/zinc/20/78/25/570207825.db2.gz AVIQQHGIKDYVPX-UHFFFAOYSA-N -1 3 453.731 5.025 40 0 JKABHM O=C(Nc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408586506 570208146 /nfs/dbraw/zinc/20/81/46/570208146.db2.gz AKZFIDFPIBYBQM-LJQANCHMSA-N -1 3 483.804 5.175 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1)N1CCCCC1 ZINC000408588551 570208577 /nfs/dbraw/zinc/20/85/77/570208577.db2.gz GSISWNVGIHQKLW-UHFFFAOYSA-N -1 3 461.893 5.177 40 0 JKABHM CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408589022 570208684 /nfs/dbraw/zinc/20/86/84/570208684.db2.gz DKSWDLBAHCOWCS-JOCHJYFZSA-N -1 3 491.440 5.645 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c(C)c1 ZINC000408589417 570208732 /nfs/dbraw/zinc/20/87/32/570208732.db2.gz HLXWZBUTGZBJMC-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1Cl ZINC000408589463 570208841 /nfs/dbraw/zinc/20/88/41/570208841.db2.gz HURLUQPLXWAGQX-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1)N1CCCCCC1 ZINC000408589836 570208876 /nfs/dbraw/zinc/20/88/76/570208876.db2.gz FUFQJDAYBBLACA-UHFFFAOYSA-N -1 3 479.602 5.474 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)cc1Cl ZINC000408590126 570208951 /nfs/dbraw/zinc/20/89/51/570208951.db2.gz JIZOATLSZFMRME-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1Cl ZINC000408592815 570209551 /nfs/dbraw/zinc/20/95/51/570209551.db2.gz OTNUQMBTFTWWEA-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c(C)c1 ZINC000408593406 570209775 /nfs/dbraw/zinc/20/97/75/570209775.db2.gz QECUKCMUZCAPJE-UHFFFAOYSA-N -1 3 472.994 5.392 40 0 JKABHM COc1ccccc1-c1cc(=O)[n-]c(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000020634938 195191755 /nfs/dbraw/zinc/19/17/55/195191755.db2.gz HGOXEMVVOOKBSN-UHFFFAOYSA-N -1 3 455.905 5.453 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766492 195221615 /nfs/dbraw/zinc/22/16/15/195221615.db2.gz XVHPSVZIMVUUIH-UHFFFAOYSA-N -1 3 470.978 5.133 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1C ZINC000020766391 195221681 /nfs/dbraw/zinc/22/16/81/195221681.db2.gz PYCZMLWKPKFARE-UHFFFAOYSA-N -1 3 454.979 5.351 40 0 JKABHM Cc1sc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)nc1-c1ccccc1 ZINC000409382479 195515174 /nfs/dbraw/zinc/51/51/74/195515174.db2.gz NFUNKHVKEOPIFW-UHFFFAOYSA-N -1 3 499.621 5.803 40 0 JKABHM CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224876707 195472920 /nfs/dbraw/zinc/47/29/20/195472920.db2.gz QRNZLDSLIPWKOV-RPBOFIJWSA-N -1 3 490.032 5.474 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000102864380 130335995 /nfs/dbraw/zinc/33/59/95/130335995.db2.gz SCDMWIVARPGQQM-BHIFYINESA-N -1 3 497.776 5.462 40 0 JKABHM CC(C)c1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000044901317 519835689 /nfs/dbraw/zinc/83/56/89/519835689.db2.gz VLAWAWAYGCQMDU-UHFFFAOYSA-N -1 3 456.995 5.237 40 0 JKABHM CC(C)c1ccc2oc(-c3ccc(Cl)c([N-]C(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 ZINC000022717824 519840753 /nfs/dbraw/zinc/84/07/53/519840753.db2.gz XKUMCHOPKUBVDJ-UHFFFAOYSA-N -1 3 480.820 7.219 40 0 JKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000016688472 520721410 /nfs/dbraw/zinc/72/14/10/520721410.db2.gz HCVVFRMWIYGIPM-UHFFFAOYSA-N -1 3 460.357 5.959 40 0 JKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688501 520722670 /nfs/dbraw/zinc/72/26/70/520722670.db2.gz KYKOZAHKXFOAJB-UHFFFAOYSA-N -1 3 488.353 5.554 40 0 JKABHM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000022534722 521925241 /nfs/dbraw/zinc/92/52/41/521925241.db2.gz MNVISURZKPEKQJ-MRXNPFEDSA-N -1 3 458.967 5.109 40 0 JKABHM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000022534716 521925531 /nfs/dbraw/zinc/92/55/31/521925531.db2.gz MNVISURZKPEKQJ-INIZCTEOSA-N -1 3 458.967 5.109 40 0 JKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195455 522463538 /nfs/dbraw/zinc/46/35/38/522463538.db2.gz SUZLTPAAGYDFAG-UHFFFAOYSA-N -1 3 490.781 5.678 40 0 JKABHM COc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c(OC)cc1Cl ZINC000020483031 522722608 /nfs/dbraw/zinc/72/26/08/522722608.db2.gz HXORGYNIZBOPMW-UHFFFAOYSA-N -1 3 495.384 5.372 40 0 JKABHM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020488688 522872692 /nfs/dbraw/zinc/87/26/92/522872692.db2.gz BPJUQSDTQDCEKH-QHCPKHFHSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020493432 522874249 /nfs/dbraw/zinc/87/42/49/522874249.db2.gz STTGVKWFNLZCCB-FQEVSTJZSA-N -1 3 497.375 5.729 40 0 JKABHM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000020450584 522878226 /nfs/dbraw/zinc/87/82/26/522878226.db2.gz LBJGEVYMXPAWHL-SANMLTNESA-N -1 3 490.581 5.445 40 0 JKABHM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020457610 522883979 /nfs/dbraw/zinc/88/39/79/522883979.db2.gz MGMOCCPGYDSJMK-QFIPXVFZSA-N -1 3 458.967 5.245 40 0 JKABHM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020450725 523041714 /nfs/dbraw/zinc/04/17/14/523041714.db2.gz MBECAYMRMUVFBD-HSZRJFAPSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000022528785 523041766 /nfs/dbraw/zinc/04/17/66/523041766.db2.gz URSVVAXYANDJRZ-OAQYLSRUSA-N -1 3 462.930 5.076 40 0 JKABHM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000022820844 523060045 /nfs/dbraw/zinc/06/00/45/523060045.db2.gz UFRXYXLVMZZNHH-UHFFFAOYSA-N -1 3 499.617 6.266 40 0 JKABHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020459848 523060778 /nfs/dbraw/zinc/06/07/78/523060778.db2.gz DZSPNHRCIWFLBT-JOCHJYFZSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536895 524162014 /nfs/dbraw/zinc/16/20/14/524162014.db2.gz HFTHRONCXBSIJU-JOCHJYFZSA-N -1 3 480.630 5.286 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000044903417 524303282 /nfs/dbraw/zinc/30/32/82/524303282.db2.gz QRCCYWUXUBSYSF-HXUWFJFHSA-N -1 3 466.603 5.634 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000044883810 524303791 /nfs/dbraw/zinc/30/37/91/524303791.db2.gz OPHDDCDBCLGCJV-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536925 524438070 /nfs/dbraw/zinc/43/80/70/524438070.db2.gz OYBPWFKTQJGJSS-JOCHJYFZSA-N -1 3 480.630 5.286 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000022529526 525085775 /nfs/dbraw/zinc/08/57/75/525085775.db2.gz NPVMNRJYBPAILZ-UHFFFAOYSA-N -1 3 452.576 5.354 40 0 JKABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000044901576 525102930 /nfs/dbraw/zinc/10/29/30/525102930.db2.gz SIJWHJBXAUTDKH-UHFFFAOYSA-N -1 3 497.425 5.534 40 0 JKABHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000020452243 525107082 /nfs/dbraw/zinc/10/70/82/525107082.db2.gz KOCYVUSXFZOHJI-SFHVURJKSA-N -1 3 470.616 5.232 40 0 JKABHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000020453178 525110260 /nfs/dbraw/zinc/11/02/60/525110260.db2.gz AUKJLHHNHSEYSM-SFHVURJKSA-N -1 3 470.616 5.232 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c(C)c1 ZINC000020456534 525301048 /nfs/dbraw/zinc/30/10/48/525301048.db2.gz AYPAZOJBTMWHPJ-FQEVSTJZSA-N -1 3 466.603 5.634 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)c(C)c1 ZINC000020456535 525302030 /nfs/dbraw/zinc/30/20/30/525302030.db2.gz AYPAZOJBTMWHPJ-HXUWFJFHSA-N -1 3 466.603 5.634 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1C ZINC000044902098 525302925 /nfs/dbraw/zinc/30/29/25/525302925.db2.gz LGTMBVRRVZHWBC-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2Cl)cc1 ZINC000020454420 525599500 /nfs/dbraw/zinc/59/95/00/525599500.db2.gz DUDBPJFUFJSRSK-UHFFFAOYSA-N -1 3 497.773 5.603 40 0 JKABHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000044849625 525940864 /nfs/dbraw/zinc/94/08/64/525940864.db2.gz YMKZKVINHMAFQW-CQSZACIVSA-N -1 3 465.358 5.200 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)c(Cl)c1 ZINC000022579933 526144042 /nfs/dbraw/zinc/14/40/42/526144042.db2.gz ASDCOKWTNKKRBB-UHFFFAOYSA-N -1 3 468.003 6.066 40 0 JKABHM O=C(Nc1cc(Cl)ccc1[O-])c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000865882 553804905 /nfs/dbraw/zinc/80/49/05/553804905.db2.gz CRZYYTCVZLFJIZ-GWCFXTLKSA-N -1 3 477.295 5.870 40 0 JKABHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])o1)Nc1ccccc1Br ZINC000000892357 553830051 /nfs/dbraw/zinc/83/00/51/553830051.db2.gz QGNHHOQOIPIXKM-UHFFFAOYSA-N -1 3 456.321 5.089 40 0 JKABHM COc1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1[O-] ZINC000000915841 553846079 /nfs/dbraw/zinc/84/60/79/553846079.db2.gz TWUHNMFXDAGGBE-UHFFFAOYSA-N -1 3 480.977 5.341 40 0 JKABHM COc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1[O-] ZINC000000915843 553846154 /nfs/dbraw/zinc/84/61/54/553846154.db2.gz RRGAGUCSHVHPNU-UHFFFAOYSA-N -1 3 466.950 5.033 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1)Nc1ccc(Cl)cc1 ZINC000001223693 553934851 /nfs/dbraw/zinc/93/48/51/553934851.db2.gz TVIGUDNLOYFQMM-UHFFFAOYSA-N -1 3 464.978 5.278 40 0 JKABHM Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CCc2ccccc2)c1C ZINC000001223715 553935114 /nfs/dbraw/zinc/93/51/14/553935114.db2.gz DTXPUKBPZNWILC-UHFFFAOYSA-N -1 3 458.587 5.241 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1)Nc1ccccc1Cl ZINC000001223695 553935118 /nfs/dbraw/zinc/93/51/18/553935118.db2.gz MOEVPISCTJPYRQ-UHFFFAOYSA-N -1 3 464.978 5.278 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000001223725 553935131 /nfs/dbraw/zinc/93/51/31/553935131.db2.gz ITBWBWBNHZIDDW-UHFFFAOYSA-N -1 3 480.977 5.092 40 0 JKABHM CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CCc2ccccc2)cc1 ZINC000001223708 553935154 /nfs/dbraw/zinc/93/51/54/553935154.db2.gz NZFIXDGEOAYSKT-UHFFFAOYSA-N -1 3 474.586 5.023 40 0 JKABHM O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000001852928 553996359 /nfs/dbraw/zinc/99/63/59/553996359.db2.gz MYGURNSSCAVEPY-XCVCLJGOSA-N -1 3 484.364 6.034 40 0 JKABHM O=C([O-])C1CCN(Cc2c(-c3ccc(-c4ccccc4)cc3)nc3sc4ccccc4n23)CC1 ZINC000002528890 554232635 /nfs/dbraw/zinc/23/26/35/554232635.db2.gz LSVNAGLUNSZNDQ-UHFFFAOYSA-N -1 3 467.594 6.180 40 0 JKABHM CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000005946240 554497205 /nfs/dbraw/zinc/49/72/05/554497205.db2.gz XUSSAGWJNKSDHF-UHFFFAOYSA-N -1 3 491.638 6.283 40 0 JKABHM CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccc(C)cc1 ZINC000006135396 554507270 /nfs/dbraw/zinc/50/72/70/554507270.db2.gz VLBBTTRRSWJUSD-UHFFFAOYSA-N -1 3 458.587 5.550 40 0 JKABHM COC(=O)c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CC[C@H](C(C)(C)C)C5)o2)cc1 ZINC000008442236 554591855 /nfs/dbraw/zinc/59/18/55/554591855.db2.gz ZEVPIYAYTPUAKV-INIZCTEOSA-N -1 3 462.571 5.849 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F)c1ccc(Cl)cc1 ZINC000008810070 554689201 /nfs/dbraw/zinc/68/92/01/554689201.db2.gz YUUUSLAHAKWOSE-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F)c1cccc(Cl)c1 ZINC000008810229 554689702 /nfs/dbraw/zinc/68/97/02/554689702.db2.gz ZSRUAERXFDNNEJ-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1F)c1ccc(F)cc1 ZINC000008810842 554691569 /nfs/dbraw/zinc/69/15/69/554691569.db2.gz TYYNTOPDJIJKHP-UHFFFAOYSA-N -1 3 457.285 5.325 40 0 JKABHM COc1c(F)c(F)c(C(=O)[N-]c2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c(F)c1F ZINC000008831925 554724507 /nfs/dbraw/zinc/72/45/07/554724507.db2.gz PUCVSSULVJKWOH-UHFFFAOYSA-N -1 3 464.802 6.274 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)ccc3[O-])oc2c(C)c1 ZINC000008835183 554733497 /nfs/dbraw/zinc/73/34/97/554733497.db2.gz HZPPHEYGGOLOPM-UHFFFAOYSA-N -1 3 486.380 6.251 40 0 JKABHM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000008835216 554733742 /nfs/dbraw/zinc/73/37/42/554733742.db2.gz HNMRTDRTILAQLO-LFYBBSHMSA-N -1 3 492.000 6.504 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)ccc3[O-])oc2c(C)c1 ZINC000008835192 554733753 /nfs/dbraw/zinc/73/37/53/554733753.db2.gz KSFZYCFUVZIVPM-UHFFFAOYSA-N -1 3 475.570 5.731 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc5ccccc5cc4OC)ccc3[O-])nc2c1 ZINC000008835209 554733759 /nfs/dbraw/zinc/73/37/59/554733759.db2.gz NNHIVTNQCOBJDS-UHFFFAOYSA-N -1 3 497.576 6.051 40 0 JKABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(Cl)c(Cl)c1 ZINC000008835214 554733778 /nfs/dbraw/zinc/73/37/78/554733778.db2.gz UTEVNUONVVCMOI-UHFFFAOYSA-N -1 3 492.771 6.287 40 0 JKABHM CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000008835215 554733793 /nfs/dbraw/zinc/73/37/93/554733793.db2.gz CAANMGKNHSYNDI-UHFFFAOYSA-N -1 3 495.988 6.015 40 0 JKABHM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000008835190 554733795 /nfs/dbraw/zinc/73/37/95/554733795.db2.gz VEFFMPXKMCYIIG-UHFFFAOYSA-N -1 3 489.597 6.123 40 0 JKABHM COC(=O)c1cc(-c2c(-c3ccc(OC)c(C)c3[O-])nc(-c3ccccc3)nc2C(F)(F)F)c(C)o1 ZINC000008873448 554770242 /nfs/dbraw/zinc/77/02/42/554770242.db2.gz XVQRVPYAOHCDMH-UHFFFAOYSA-N -1 3 498.457 6.207 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc5ccccc5c4)ccc3[O-])oc2c1 ZINC000009064897 554884426 /nfs/dbraw/zinc/88/44/26/554884426.db2.gz FNHLOWCWMYXEPI-UHFFFAOYSA-N -1 3 453.523 5.789 40 0 JKABHM O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc(Cl)ccc1[O-] ZINC000009142445 554935877 /nfs/dbraw/zinc/93/58/77/554935877.db2.gz TWKZJNBOZRCMBX-ZZXKWVIFSA-N -1 3 467.761 6.139 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000009348896 555115227 /nfs/dbraw/zinc/11/52/27/555115227.db2.gz XTWMYHIEGIATNO-VJGNERBWSA-N -1 3 484.596 5.824 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)cc1 ZINC000009454679 555225585 /nfs/dbraw/zinc/22/55/85/555225585.db2.gz ODJHQDUYRVGTKL-VXNXHJTFSA-N -1 3 462.933 5.180 40 0 JKABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)cc1Cl ZINC000009694985 555425084 /nfs/dbraw/zinc/42/50/84/555425084.db2.gz BKNJYEBOGVLSGA-UHFFFAOYSA-N -1 3 485.414 5.045 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013511946 555483529 /nfs/dbraw/zinc/48/35/29/555483529.db2.gz UQKHXXIFTXJVDW-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611449 555534455 /nfs/dbraw/zinc/53/44/55/555534455.db2.gz OUWXDHUZGPDICR-UHFFFAOYSA-N -1 3 480.943 5.061 40 0 JKABHM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000019932652 555550024 /nfs/dbraw/zinc/55/00/24/555550024.db2.gz XRTRFJQSJFDIKT-QHCPKHFHSA-N -1 3 489.062 6.267 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000019933930 555551330 /nfs/dbraw/zinc/55/13/30/555551330.db2.gz BRNHLMGDOQFFJE-XMMPIXPASA-N -1 3 466.603 5.517 40 0 JKABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc3ccccc32)c(C)c1 ZINC000013659469 555555849 /nfs/dbraw/zinc/55/58/49/555555849.db2.gz WHEUFGRVKOTSBF-MYKRZTLLSA-N -1 3 462.549 5.816 40 0 JKABHM O=C([N-]C(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)C(Cl)(Cl)Cl ZINC000009892109 555562930 /nfs/dbraw/zinc/56/29/30/555562930.db2.gz BBJIRJKWGLAMOI-UHFFFAOYSA-N -1 3 499.206 6.485 40 0 JKABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000020009580 555585302 /nfs/dbraw/zinc/58/53/02/555585302.db2.gz AHUDFUKIIUJRQO-JOCHJYFZSA-N -1 3 487.021 5.000 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1Cl ZINC000020021080 555598088 /nfs/dbraw/zinc/59/80/88/555598088.db2.gz KPPOHDGWUJKILZ-XMMPIXPASA-N -1 3 485.005 5.022 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020022370 555600035 /nfs/dbraw/zinc/60/00/35/555600035.db2.gz SNEFQGXVUPXMGS-INIZCTEOSA-N -1 3 493.412 5.359 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000013749640 555608591 /nfs/dbraw/zinc/60/85/91/555608591.db2.gz AHVAHEGIIFNXEB-SDHOMARFSA-N -1 3 476.960 5.570 40 0 JKABHM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000020036158 555610511 /nfs/dbraw/zinc/61/05/11/555610511.db2.gz QTNTVMPZYUSZQW-IBGZPJMESA-N -1 3 452.576 5.073 40 0 JKABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000013757701 555611205 /nfs/dbraw/zinc/61/12/05/555611205.db2.gz LSOWSSNQULASJV-VJBWXMMDSA-N -1 3 499.350 5.062 40 0 JKABHM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000020050151 555619351 /nfs/dbraw/zinc/61/93/51/555619351.db2.gz ZDURFENSXQTBPM-UHFFFAOYSA-N -1 3 460.555 5.518 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000013788037 555619768 /nfs/dbraw/zinc/61/97/68/555619768.db2.gz NUSLVQVAMIDFEU-FSSWDIPSSA-N -1 3 452.432 5.065 40 0 JKABHM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013788103 555620107 /nfs/dbraw/zinc/62/01/07/555620107.db2.gz ZQKZWPWZSLAQMV-GSDHBNRESA-N -1 3 466.562 5.613 40 0 JKABHM N=C(Nc1cccc2ccccc21)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[n-]1 ZINC000010156509 555637980 /nfs/dbraw/zinc/63/79/80/555637980.db2.gz UCDQWLLKSCYSBQ-UHFFFAOYSA-N -1 3 458.572 5.284 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020106772 555640209 /nfs/dbraw/zinc/64/02/09/555640209.db2.gz GYWVNTCHQLAYMI-UHFFFAOYSA-N -1 3 452.576 5.436 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)cc1C ZINC000020107990 555642544 /nfs/dbraw/zinc/64/25/44/555642544.db2.gz UXKFRBIFTZZPAW-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020108860 555644019 /nfs/dbraw/zinc/64/40/19/555644019.db2.gz KPJGCCYKCOXOJP-UHFFFAOYSA-N -1 3 478.957 6.185 40 0 JKABHM CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cc([N-]S(C)(=O)=O)ccc3Cl)c2)cc1 ZINC000020111551 555648202 /nfs/dbraw/zinc/64/82/02/555648202.db2.gz FWDJWYKAEPTXNF-UHFFFAOYSA-N -1 3 485.005 5.492 40 0 JKABHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000013994464 555667963 /nfs/dbraw/zinc/66/79/63/555667963.db2.gz PUELYGHQJUYQHJ-QHCPKHFHSA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000013994810 555667975 /nfs/dbraw/zinc/66/79/75/555667975.db2.gz WCAKLKHCJCQMGL-QHCPKHFHSA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000014022306 555673342 /nfs/dbraw/zinc/67/33/42/555673342.db2.gz VIKXXHMCDBRPMZ-XMMPIXPASA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014022801 555673755 /nfs/dbraw/zinc/67/37/55/555673755.db2.gz AMUMHHVRWIUQCV-QHCPKHFHSA-N -1 3 452.576 5.209 40 0 JKABHM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000010329377 555686872 /nfs/dbraw/zinc/68/68/72/555686872.db2.gz VBCQIHRZIYXOKG-UHFFFAOYSA-N -1 3 477.413 5.928 40 0 JKABHM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000010338492 555692894 /nfs/dbraw/zinc/69/28/94/555692894.db2.gz QFDXVIRPWQKENK-UHFFFAOYSA-N -1 3 463.386 5.674 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3[O-])oc2c(C)c1 ZINC000014270278 555761833 /nfs/dbraw/zinc/76/18/33/555761833.db2.gz IJLSOXHOYKPFJY-UHFFFAOYSA-N -1 3 451.935 5.597 40 0 JKABHM COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000014270271 555761998 /nfs/dbraw/zinc/76/19/98/555761998.db2.gz HGIYXZOGDKYIOO-WUXMJOGZSA-N -1 3 459.527 5.044 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)ccc3[O-])oc2c1 ZINC000014270264 555762010 /nfs/dbraw/zinc/76/20/10/555762010.db2.gz XOBQWNFBZMYRPC-UHFFFAOYSA-N -1 3 459.571 5.933 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cccc(Cl)c3)cc2)cc1 ZINC000020328207 555774201 /nfs/dbraw/zinc/77/42/01/555774201.db2.gz LHKYPPLBMMIRKE-HSZRJFAPSA-N -1 3 488.993 5.336 40 0 JKABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000014274158 555775993 /nfs/dbraw/zinc/77/59/93/555775993.db2.gz XCWLODDHHMOWPS-UHFFFAOYSA-N -1 3 495.560 5.906 40 0 JKABHM COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1Cl ZINC000014275145 555779688 /nfs/dbraw/zinc/77/96/88/555779688.db2.gz POARTVFJVZVLLN-UHFFFAOYSA-N -1 3 481.961 5.606 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)ccc3[O-])oc2c(C)c1 ZINC000014275161 555779726 /nfs/dbraw/zinc/77/97/26/555779726.db2.gz LUUBLEQHHVEKQX-BJMVGYQFSA-N -1 3 477.973 5.997 40 0 JKABHM CCCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000014275149 555779753 /nfs/dbraw/zinc/77/97/53/555779753.db2.gz WONWJZUCLBDLEI-UHFFFAOYSA-N -1 3 475.570 5.733 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)ccc3[O-])nc2c1 ZINC000014275189 555780111 /nfs/dbraw/zinc/78/01/11/555780111.db2.gz AXYGYYFJHCKPCX-UHFFFAOYSA-N -1 3 489.597 5.924 40 0 JKABHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014398556 555804142 /nfs/dbraw/zinc/80/41/42/555804142.db2.gz CLTDVJUVUDGSBP-QGZVFWFLSA-N -1 3 470.566 5.330 40 0 JKABHM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014398560 555804192 /nfs/dbraw/zinc/80/41/92/555804192.db2.gz CLTDVJUVUDGSBP-KRWDZBQOSA-N -1 3 470.566 5.330 40 0 JKABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000014399399 555804985 /nfs/dbraw/zinc/80/49/85/555804985.db2.gz SXYTVAKNOVUZBT-AWEZNQCLSA-N -1 3 495.384 5.209 40 0 JKABHM O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(=S)[N-]CCNc1cccc2ccccc21 ZINC000020534015 555805839 /nfs/dbraw/zinc/80/58/39/555805839.db2.gz HCWRPSPYDRMXJF-UHFFFAOYSA-N -1 3 451.901 5.480 40 0 JKABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000020572809 555824590 /nfs/dbraw/zinc/82/45/90/555824590.db2.gz WEPFYNRZGNEOIO-UHFFFAOYSA-N -1 3 481.357 6.040 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c(C)c1 ZINC000014665254 555837224 /nfs/dbraw/zinc/83/72/24/555837224.db2.gz OUMTYNRZSKITFQ-HXUWFJFHSA-N -1 3 480.630 5.808 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000011859579 555838862 /nfs/dbraw/zinc/83/88/62/555838862.db2.gz SCDMWIVARPGQQM-FSSWDIPSSA-N -1 3 497.776 5.462 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015418857 555908185 /nfs/dbraw/zinc/90/81/85/555908185.db2.gz PKCUNVSGPZNZCW-UHFFFAOYSA-N -1 3 452.429 5.206 40 0 JKABHM CC[C@@H](C)c1ccc2oc(-c3ccc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)cc3)nc2c1 ZINC000022706993 555943640 /nfs/dbraw/zinc/94/36/40/555943640.db2.gz PINMBWYZWHBZDV-LLVKDONJSA-N -1 3 470.809 6.192 40 0 JKABHM CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cc3)nc2c1 ZINC000022706993 555943643 /nfs/dbraw/zinc/94/36/43/555943643.db2.gz PINMBWYZWHBZDV-LLVKDONJSA-N -1 3 470.809 6.192 40 0 JKABHM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1 ZINC000022740764 555949177 /nfs/dbraw/zinc/94/91/77/555949177.db2.gz DWHLVFUWIOWKDB-UHFFFAOYSA-N -1 3 483.549 5.797 40 0 JKABHM Cc1ccnc(SCc2cc(=O)[n-]c(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)n2)n1 ZINC000022745895 555950887 /nfs/dbraw/zinc/95/08/87/555950887.db2.gz QDOZSSWNIQDCRV-UHFFFAOYSA-N -1 3 487.976 5.168 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000012482635 555985751 /nfs/dbraw/zinc/98/57/51/555985751.db2.gz KTUFUSAAZQPOEG-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM O=C(NC1CCCC1)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000012635980 556095099 /nfs/dbraw/zinc/09/50/99/556095099.db2.gz BCPSWGBMNOOUEZ-AREMUKBSSA-N -1 3 457.574 5.125 40 0 JKABHM Cc1cc(OCC(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc(C)c1Cl ZINC000016269403 556131985 /nfs/dbraw/zinc/13/19/85/556131985.db2.gz JMMPMPKYSKFBKC-UHFFFAOYSA-N -1 3 498.029 5.831 40 0 JKABHM Cc1ccc(OCC(=O)[N-]C(=S)Nc2nc(-c3ccc(Br)cc3)cs2)c(C)c1 ZINC000016285011 556133623 /nfs/dbraw/zinc/13/36/23/556133623.db2.gz LHAATNYIOADPSR-UHFFFAOYSA-N -1 3 476.421 5.081 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000016293412 556134272 /nfs/dbraw/zinc/13/42/72/556134272.db2.gz YCOADTGPNBTFCR-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM O=S(=O)([N-]c1ccc(N(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000016487852 556140641 /nfs/dbraw/zinc/14/06/41/556140641.db2.gz DVIPLEQQEDCBCK-UHFFFAOYSA-N -1 3 464.568 5.014 40 0 JKABHM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc([N-]S(=O)(=O)c1ccc(OC)cc1)cc2C ZINC000016779624 556159494 /nfs/dbraw/zinc/15/94/94/556159494.db2.gz XSBFVAIQYRWQTC-UHFFFAOYSA-N -1 3 492.597 5.542 40 0 JKABHM CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000016807676 556162470 /nfs/dbraw/zinc/16/24/70/556162470.db2.gz FABSQVHSAIZCAU-UHFFFAOYSA-N -1 3 492.597 5.542 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCCC1 ZINC000026115136 556245724 /nfs/dbraw/zinc/24/57/24/556245724.db2.gz LEFLLIXYGSFYGM-UHFFFAOYSA-N -1 3 478.945 5.118 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCCCC1 ZINC000026116416 556246351 /nfs/dbraw/zinc/24/63/51/556246351.db2.gz CWWDLNMJOFTBNY-UHFFFAOYSA-N -1 3 492.972 5.508 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCC1 ZINC000026116866 556246653 /nfs/dbraw/zinc/24/66/53/556246653.db2.gz UZDQIQPPNOPCKI-UHFFFAOYSA-N -1 3 459.420 5.142 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Cl)c2)cc1 ZINC000017777984 556266147 /nfs/dbraw/zinc/26/61/47/556266147.db2.gz BLEWUOTVXDZSIJ-SGNDLWITSA-N -1 3 462.933 5.180 40 0 JKABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018100673 556287599 /nfs/dbraw/zinc/28/75/99/556287599.db2.gz VAWKIFVVJANQRK-FKBYEOEOSA-N -1 3 469.324 5.053 40 0 JKABHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018100810 556287611 /nfs/dbraw/zinc/28/76/11/556287611.db2.gz HRXCMALIDFAQLU-GSDHBNRESA-N -1 3 490.531 5.064 40 0 JKABHM CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018118240 556289826 /nfs/dbraw/zinc/28/98/26/556289826.db2.gz RSYSVVPXMQQROL-VABKMULXSA-N -1 3 467.352 5.607 40 0 JKABHM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000030753347 556371912 /nfs/dbraw/zinc/37/19/12/556371912.db2.gz OEDUGVFTHBMGBG-UHFFFAOYSA-N -1 3 493.368 5.142 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)c3cc(C)ccc3C)cc2Cl)cc1 ZINC000030757090 556373433 /nfs/dbraw/zinc/37/34/33/556373433.db2.gz PTTNBWSVRAKUAJ-GOSISDBHSA-N -1 3 456.995 5.557 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc4ccccc43)cc2Cl)cc1 ZINC000030854870 556379360 /nfs/dbraw/zinc/37/93/60/556379360.db2.gz UIQZCZVBAKXZOP-UHFFFAOYSA-N -1 3 450.947 5.855 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1 ZINC000030858451 556380806 /nfs/dbraw/zinc/38/08/06/556380806.db2.gz KKGALOJBDALNCG-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2Cl)cc1 ZINC000030859886 556381266 /nfs/dbraw/zinc/38/12/66/556381266.db2.gz DKLMKZNPLCWMJB-DEOSSOPVSA-N -1 3 471.022 5.966 40 0 JKABHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000032100817 556416506 /nfs/dbraw/zinc/41/65/06/556416506.db2.gz RPEZYVZMVAXAHP-ADLMAVQZSA-N -1 3 453.288 5.180 40 0 JKABHM O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000057313549 569596662 /nfs/dbraw/zinc/59/66/62/569596662.db2.gz DKPMQUMLCFSVTF-NTCAYCPXSA-N -1 3 497.601 6.455 40 0 JKABHM CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3[O-])nc2c1 ZINC000057316155 569597508 /nfs/dbraw/zinc/59/75/08/569597508.db2.gz PFTOJWOPMLMMFN-UHFFFAOYSA-N -1 3 489.582 5.455 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000059475340 569604911 /nfs/dbraw/zinc/60/49/11/569604911.db2.gz MJHATGFJBATBIE-UHFFFAOYSA-N -1 3 471.369 5.678 40 0 JKABHM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000059483619 569604952 /nfs/dbraw/zinc/60/49/52/569604952.db2.gz DQKBBFCGYVIECC-UIOOFZCWSA-N -1 3 462.376 6.737 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000033414873 569626098 /nfs/dbraw/zinc/62/60/98/569626098.db2.gz ZEABFGRUMPEKIK-UHFFFAOYSA-N -1 3 493.412 5.106 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000033654196 569629782 /nfs/dbraw/zinc/62/97/82/569629782.db2.gz FDIZBHSXDDAJCH-UHFFFAOYSA-N -1 3 485.776 5.465 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000033715114 569631650 /nfs/dbraw/zinc/63/16/50/569631650.db2.gz LEORJPDTDFFXGR-UHFFFAOYSA-N -1 3 466.603 5.464 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)c1 ZINC000034847035 569666919 /nfs/dbraw/zinc/66/69/19/569666919.db2.gz ACLAKLBSXOIZQR-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1Cl ZINC000035086712 569674614 /nfs/dbraw/zinc/67/46/14/569674614.db2.gz PQSSKAMRTYZVII-UHFFFAOYSA-N -1 3 485.776 5.465 40 0 JKABHM CCOc1cc([C@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147362 569675939 /nfs/dbraw/zinc/67/59/39/569675939.db2.gz ZDASUXIZYPOEAI-VWLOTQADSA-N -1 3 459.933 5.893 40 0 JKABHM CCOc1cc([C@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147362 569675941 /nfs/dbraw/zinc/67/59/41/569675941.db2.gz ZDASUXIZYPOEAI-VWLOTQADSA-N -1 3 459.933 5.893 40 0 JKABHM COc1ccccc1N(C(=O)c1ccc([O-])cc1)[C@@H](C(=O)NC1CCCC1)c1ccc2ncccc2c1 ZINC000035315993 569680502 /nfs/dbraw/zinc/68/05/02/569680502.db2.gz OBHWQUCBFWLRGX-MUUNZHRXSA-N -1 3 495.579 5.396 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc2c(c1)OCO2)CC(=O)O3 ZINC000079188705 569707018 /nfs/dbraw/zinc/70/70/18/569707018.db2.gz CINYCWKQJMPHMI-IBGMVYNLSA-N -1 3 492.524 5.044 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccsc1)CC(=O)O3 ZINC000079191637 569707104 /nfs/dbraw/zinc/70/71/04/569707104.db2.gz XRHQUVWGGSCSKX-UPQWKRSISA-N -1 3 454.544 5.377 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cccc(O)c1)CC(=O)O3 ZINC000085874691 569715722 /nfs/dbraw/zinc/71/57/22/569715722.db2.gz YMBWRXAYJBJLRR-HBBKYLCWSA-N -1 3 464.514 5.021 40 0 JKABHM Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000095346073 569722318 /nfs/dbraw/zinc/72/23/18/569722318.db2.gz YFEBEVINXQOVED-FKBYEOEOSA-N -1 3 497.776 5.462 40 0 JKABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c(C)c1 ZINC000096791724 569743022 /nfs/dbraw/zinc/74/30/22/569743022.db2.gz JFEJDPZSSDQMOB-XWGVYQGASA-N -1 3 491.385 5.425 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(C)c1 ZINC000100444622 569761269 /nfs/dbraw/zinc/76/12/69/569761269.db2.gz HARNMLANQGUHEB-UHFFFAOYSA-N -1 3 459.365 5.119 40 0 JKABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)c(C)c1 ZINC000100949538 569777743 /nfs/dbraw/zinc/77/77/43/569777743.db2.gz WHEUFGRVKOTSBF-KZQOYIJHSA-N -1 3 462.549 5.816 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101040565 569780431 /nfs/dbraw/zinc/78/04/31/569780431.db2.gz UQKHXXIFTXJVDW-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000101066908 569780950 /nfs/dbraw/zinc/78/09/50/569780950.db2.gz JZQHUOCERVLIIQ-BDTNDASRSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000101075238 569781591 /nfs/dbraw/zinc/78/15/91/569781591.db2.gz QUZFCEYKBMIPLK-FSSWDIPSSA-N -1 3 487.770 6.006 40 0 JKABHM CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101153906 569784789 /nfs/dbraw/zinc/78/47/89/569784789.db2.gz FWTOXAOGUDVTRJ-KCHLEUMXSA-N -1 3 476.576 6.188 40 0 JKABHM CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101155094 569784910 /nfs/dbraw/zinc/78/49/10/569784910.db2.gz KSVSTAIYMSQLPT-SGNDLWITSA-N -1 3 495.406 6.342 40 0 JKABHM Cc1[nH]c2ccccc2c1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000101157237 569784946 /nfs/dbraw/zinc/78/49/46/569784946.db2.gz ZJLRIAFKGZDUFS-HJOGWXRNSA-N -1 3 492.362 5.834 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)cc1 ZINC000101187445 569786431 /nfs/dbraw/zinc/78/64/31/569786431.db2.gz MBIOULGFXPJTOP-SDHOMARFSA-N -1 3 474.582 5.248 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000101187092 569786484 /nfs/dbraw/zinc/78/64/84/569786484.db2.gz NUSLVQVAMIDFEU-BDTNDASRSA-N -1 3 452.432 5.065 40 0 JKABHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000101190901 569786545 /nfs/dbraw/zinc/78/65/45/569786545.db2.gz FPSDNMWJSNNGOE-ZLNRFVROSA-N -1 3 483.351 5.443 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000101231931 569787827 /nfs/dbraw/zinc/78/78/27/569787827.db2.gz PZQIEIGSQXECJF-ZLNRFVROSA-N -1 3 466.459 5.373 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3Cl)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038173590 569800077 /nfs/dbraw/zinc/80/00/77/569800077.db2.gz MEDUHTJMLKNRRL-UHFFFAOYSA-N -1 3 499.423 6.294 40 0 JKABHM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000038753301 569806521 /nfs/dbraw/zinc/80/65/21/569806521.db2.gz OQTRUURILLMHEM-RUZDIDTESA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000038754704 569806847 /nfs/dbraw/zinc/80/68/47/569806847.db2.gz HIKKKXRPRCRGJU-RUZDIDTESA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000038755587 569807080 /nfs/dbraw/zinc/80/70/80/569807080.db2.gz QZPPPXICYYTNKO-QFIPXVFZSA-N -1 3 475.035 5.959 40 0 JKABHM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000038756970 569807422 /nfs/dbraw/zinc/80/74/22/569807422.db2.gz SWHGTHCKLCRNJY-DEOSSOPVSA-N -1 3 478.545 5.576 40 0 JKABHM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000038772260 569807660 /nfs/dbraw/zinc/80/76/60/569807660.db2.gz AIAGIBPJBSJNBP-NRFANRHFSA-N -1 3 466.603 5.436 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000039748666 569811204 /nfs/dbraw/zinc/81/12/04/569811204.db2.gz NKFPQLAGHSRYGC-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707258 569816648 /nfs/dbraw/zinc/81/66/48/569816648.db2.gz MHLNKFGUIRISRN-SDHOMARFSA-N -1 3 472.903 5.683 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706952 569816665 /nfs/dbraw/zinc/81/66/65/569816665.db2.gz MSBVFUXMYIKKSU-CUYJMHBOSA-N -1 3 489.358 6.198 40 0 JKABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102707697 569816828 /nfs/dbraw/zinc/81/68/28/569816828.db2.gz JAKSDEKBLIRJKK-BHIFYINESA-N -1 3 469.324 5.053 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707838 569816883 /nfs/dbraw/zinc/81/68/83/569816883.db2.gz AFWXVGVLMNSEKH-SDHOMARFSA-N -1 3 488.465 5.910 40 0 JKABHM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102729711 569817910 /nfs/dbraw/zinc/81/79/10/569817910.db2.gz VEZFHJVGNZZXTO-ZZQRAECTSA-N -1 3 450.579 5.370 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102733084 569818496 /nfs/dbraw/zinc/81/84/96/569818496.db2.gz MBCNFBVUAFGFST-VJBWXMMDSA-N -1 3 473.891 5.078 40 0 JKABHM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102750247 569820873 /nfs/dbraw/zinc/82/08/73/569820873.db2.gz TUOGVVHZFULDKU-HAFPXEGZSA-N -1 3 471.395 5.344 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102759393 569821620 /nfs/dbraw/zinc/82/16/20/569821620.db2.gz BTIOOIGGHNJAGI-BHIFYINESA-N -1 3 450.947 5.113 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1c(F)cccc1Cl ZINC000102768193 569823357 /nfs/dbraw/zinc/82/33/57/569823357.db2.gz DNMZZPBAOQSDOY-NJYVYQBISA-N -1 3 490.840 5.549 40 0 JKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1[O-] ZINC000106700670 569854817 /nfs/dbraw/zinc/85/48/17/569854817.db2.gz ZZPPKKFVLAZFMK-APSNUPSMSA-N -1 3 458.750 5.988 40 0 JKABHM O=C1S/C(=C\c2cc(Br)ccc2[O-])C(=O)N1Cc1ccc(Br)cc1 ZINC000106724703 569855186 /nfs/dbraw/zinc/85/51/86/569855186.db2.gz UNDNDAGSWIADHF-NVNXTCNLSA-N -1 3 469.154 5.154 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000107863652 569857759 /nfs/dbraw/zinc/85/77/59/569857759.db2.gz JEECALNSCRXLGK-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)c1 ZINC000108030492 569858333 /nfs/dbraw/zinc/85/83/33/569858333.db2.gz AMOKGKVBINBOCP-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000108078788 569858552 /nfs/dbraw/zinc/85/85/52/569858552.db2.gz XTHVKQOAMTVWNJ-UHFFFAOYSA-N -1 3 472.994 5.744 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000108235445 569859247 /nfs/dbraw/zinc/85/92/47/569859247.db2.gz BUVUDWKYZTZIDE-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000108252160 569859295 /nfs/dbraw/zinc/85/92/95/569859295.db2.gz NXDAIQIZUNUSHM-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 ZINC000108265162 569859361 /nfs/dbraw/zinc/85/93/61/569859361.db2.gz FJEUFVGZWXKCEP-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000135927361 569864476 /nfs/dbraw/zinc/86/44/76/569864476.db2.gz SCDMWIVARPGQQM-FDFHNCONSA-N -1 3 497.776 5.462 40 0 JKABHM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000137914822 569865408 /nfs/dbraw/zinc/86/54/08/569865408.db2.gz FPAWZWCFCCVLGZ-FDFHNCONSA-N -1 3 450.947 5.113 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000216251216 569877962 /nfs/dbraw/zinc/87/79/62/569877962.db2.gz UMDARJSPVZESSI-UHFFFAOYSA-N -1 3 463.386 5.375 40 0 JKABHM Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000216249126 569878004 /nfs/dbraw/zinc/87/80/04/569878004.db2.gz OINZHWSMEIUIKG-UHFFFAOYSA-N -1 3 461.008 5.565 40 0 JKABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000216365700 569878491 /nfs/dbraw/zinc/87/84/91/569878491.db2.gz ZBKUCYUQSDPKJK-AWEZNQCLSA-N -1 3 495.384 5.209 40 0 JKABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000222706335 569889190 /nfs/dbraw/zinc/88/91/90/569889190.db2.gz FNJAZBWKLDNJJO-UHFFFAOYSA-N -1 3 451.588 5.641 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1NC(=O)C(C)C ZINC000222897840 569893903 /nfs/dbraw/zinc/89/39/03/569893903.db2.gz PFVPOOVIGDGFHG-UHFFFAOYSA-N -1 3 466.934 5.476 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000224594660 569949930 /nfs/dbraw/zinc/94/99/30/569949930.db2.gz OIXGPRUNAIXEBS-GOTSBHOMSA-N -1 3 469.595 5.365 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000224611699 569950686 /nfs/dbraw/zinc/95/06/86/569950686.db2.gz NTKXNVUGAHMPIL-PKTZIBPZSA-N -1 3 480.515 5.774 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000224612503 569950719 /nfs/dbraw/zinc/95/07/19/569950719.db2.gz GRADUQSDCBGIAI-PKTZIBPZSA-N -1 3 491.414 5.518 40 0 JKABHM CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224613514 569950801 /nfs/dbraw/zinc/95/08/01/569950801.db2.gz DZIRCTZOPFXCLL-RPBOFIJWSA-N -1 3 456.571 5.154 40 0 JKABHM Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224618683 569951018 /nfs/dbraw/zinc/95/10/18/569951018.db2.gz WYMWESUETDYYPT-RPWUZVMVSA-N -1 3 461.974 6.186 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000224617967 569951049 /nfs/dbraw/zinc/95/10/49/569951049.db2.gz CLCKAWRLZPBGCU-DHIUTWEWSA-N -1 3 482.392 6.531 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000224618185 569951055 /nfs/dbraw/zinc/95/10/55/569951055.db2.gz KTNVINFGTDWUGF-DHIUTWEWSA-N -1 3 482.392 6.531 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccncc1 ZINC000224861837 569960602 /nfs/dbraw/zinc/96/06/02/569960602.db2.gz ONGIEWLSKJDTKD-DQEYMECFSA-N -1 3 490.032 5.479 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccnc1 ZINC000224862803 569960617 /nfs/dbraw/zinc/96/06/17/569960617.db2.gz SKWLHJONOCWEDD-RPWUZVMVSA-N -1 3 476.005 5.420 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000224863540 569960686 /nfs/dbraw/zinc/96/06/86/569960686.db2.gz GXNVABJEPWCWOS-XZOQPEGZSA-N -1 3 499.398 6.201 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccco1 ZINC000224863357 569960722 /nfs/dbraw/zinc/96/07/22/569960722.db2.gz CRVBMPLYWLORDM-BJKOFHAPSA-N -1 3 479.005 5.677 40 0 JKABHM Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224864283 569960756 /nfs/dbraw/zinc/96/07/56/569960756.db2.gz IISQDSYKTWVTJI-ZEQRLZLVSA-N -1 3 460.990 5.717 40 0 JKABHM Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])n1-c1cccnc1 ZINC000224864947 569960796 /nfs/dbraw/zinc/96/07/96/569960796.db2.gz FWSZFVHHXKACQD-XZOQPEGZSA-N -1 3 461.978 5.112 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CCCCC1 ZINC000224867106 569960824 /nfs/dbraw/zinc/96/08/24/569960824.db2.gz PZUIWBOESFAGRZ-RPBOFIJWSA-N -1 3 481.065 6.541 40 0 JKABHM Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224866269 569960847 /nfs/dbraw/zinc/96/08/47/569960847.db2.gz IPYIFXFRARGDIV-ZEQRLZLVSA-N -1 3 494.041 6.670 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CCCCC1 ZINC000224867059 569960858 /nfs/dbraw/zinc/96/08/58/569960858.db2.gz PZUIWBOESFAGRZ-JWQCQUIFSA-N -1 3 481.065 6.541 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CCCC1 ZINC000224866996 569960862 /nfs/dbraw/zinc/96/08/62/569960862.db2.gz WJLRFKQCISIQNL-ZEQRLZLVSA-N -1 3 467.038 6.151 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 ZINC000224876106 569961319 /nfs/dbraw/zinc/96/13/19/569961319.db2.gz BOOMJMPIDSMIJL-DHIUTWEWSA-N -1 3 453.011 5.924 40 0 JKABHM Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224876594 569961344 /nfs/dbraw/zinc/96/13/44/569961344.db2.gz YHUDZWYVEOOUGN-BJKOFHAPSA-N -1 3 460.990 5.717 40 0 JKABHM Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224876338 569961351 /nfs/dbraw/zinc/96/13/51/569961351.db2.gz YXSDZSHLAJANOK-DNQXCXABSA-N -1 3 460.990 5.717 40 0 JKABHM Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224876518 569961372 /nfs/dbraw/zinc/96/13/72/569961372.db2.gz YHUDZWYVEOOUGN-DNQXCXABSA-N -1 3 460.990 5.717 40 0 JKABHM COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224878224 569961412 /nfs/dbraw/zinc/96/14/12/569961412.db2.gz NAHAAJIQHAOYEZ-ZEQRLZLVSA-N -1 3 476.989 5.417 40 0 JKABHM COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224877937 569961419 /nfs/dbraw/zinc/96/14/19/569961419.db2.gz SVTYFIYKRFUPJY-DNQXCXABSA-N -1 3 476.989 5.417 40 0 JKABHM COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224877979 569961436 /nfs/dbraw/zinc/96/14/36/569961436.db2.gz SVTYFIYKRFUPJY-RPWUZVMVSA-N -1 3 476.989 5.417 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000224878332 569961454 /nfs/dbraw/zinc/96/14/54/569961454.db2.gz GMJIXCNBMSIJQQ-PKTZIBPZSA-N -1 3 462.962 5.114 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 ZINC000224878424 569961465 /nfs/dbraw/zinc/96/14/65/569961465.db2.gz GMJIXCNBMSIJQQ-GOTSBHOMSA-N -1 3 462.962 5.114 40 0 JKABHM CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224878554 569961506 /nfs/dbraw/zinc/96/15/06/569961506.db2.gz NAZPZOAVBDDTLT-LOSJGSFVSA-N -1 3 491.016 5.807 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000224879728 569961571 /nfs/dbraw/zinc/96/15/71/569961571.db2.gz PMBZMJLVECMUMJ-VXKWHMMOSA-N -1 3 482.396 5.457 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000224879762 569961581 /nfs/dbraw/zinc/96/15/81/569961581.db2.gz PMBZMJLVECMUMJ-YADHBBJMSA-N -1 3 482.396 5.457 40 0 JKABHM Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])ccc1Cl ZINC000224879670 569961591 /nfs/dbraw/zinc/96/15/91/569961591.db2.gz DCOUITGMDGRXKH-ZEQRLZLVSA-N -1 3 495.435 6.370 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000224880930 569961661 /nfs/dbraw/zinc/96/16/61/569961661.db2.gz UCJUXEPIISANSE-GOTSBHOMSA-N -1 3 482.392 6.531 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000224880339 569961664 /nfs/dbraw/zinc/96/16/64/569961664.db2.gz OLJQXJPLURXMPI-XZOQPEGZSA-N -1 3 480.014 6.362 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1C ZINC000224914581 569963263 /nfs/dbraw/zinc/96/32/63/569963263.db2.gz VCLMMLANFFPKCP-UHFFFAOYSA-N -1 3 451.588 5.641 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1Cl ZINC000408594003 569965216 /nfs/dbraw/zinc/96/52/16/569965216.db2.gz RLHLHLUEKRTNMB-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM O=C(Nc1cccc2ccccc21)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408595420 569966192 /nfs/dbraw/zinc/96/61/92/569966192.db2.gz QECPZRZUSKOCFD-QHCPKHFHSA-N -1 3 499.419 5.675 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)cc1C ZINC000224986233 569967464 /nfs/dbraw/zinc/96/74/64/569967464.db2.gz SHABZTVDYRMEGC-UHFFFAOYSA-N -1 3 472.994 5.554 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408597623 569967495 /nfs/dbraw/zinc/96/74/95/569967495.db2.gz ZRAKDTZGDGRYBV-UHFFFAOYSA-N -1 3 487.021 5.592 40 0 JKABHM Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408598307 569967997 /nfs/dbraw/zinc/96/79/97/569967997.db2.gz YZJSQRPPWCCHLR-HXUWFJFHSA-N -1 3 477.413 5.139 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1Cl ZINC000408600317 569968536 /nfs/dbraw/zinc/96/85/36/569968536.db2.gz ADWSHSLGXBSZEB-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1Cl ZINC000408605189 569970735 /nfs/dbraw/zinc/97/07/35/569970735.db2.gz MXPMGEOBLCZUNE-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000225037119 569970975 /nfs/dbraw/zinc/97/09/75/569970975.db2.gz MTCLMOYNRQMAFA-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408608104 569971708 /nfs/dbraw/zinc/97/17/08/569971708.db2.gz OMGJFHCURHNRTC-UHFFFAOYSA-N -1 3 456.995 6.044 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000408617813 569976414 /nfs/dbraw/zinc/97/64/14/569976414.db2.gz DHEZDBVGRBJWFS-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408618421 569976740 /nfs/dbraw/zinc/97/67/40/569976740.db2.gz JKRWGIHBTVMJNO-UHFFFAOYSA-N -1 3 476.941 6.293 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408618424 569976805 /nfs/dbraw/zinc/97/68/05/569976805.db2.gz GHKXRCYBYAUSPO-UHFFFAOYSA-N -1 3 492.984 6.494 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 ZINC000408618927 569977033 /nfs/dbraw/zinc/97/70/33/569977033.db2.gz GRUPNCIHOOXTCP-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 ZINC000408625317 569980106 /nfs/dbraw/zinc/98/01/06/569980106.db2.gz RXOBBJAYAYOOQU-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1 ZINC000408625389 569980173 /nfs/dbraw/zinc/98/01/73/569980173.db2.gz SKPCYJHPLVHXDC-UHFFFAOYSA-N -1 3 462.493 5.684 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408637066 569987171 /nfs/dbraw/zinc/98/71/71/569987171.db2.gz WWCLPQGETPDACY-UHFFFAOYSA-N -1 3 470.419 5.345 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(Cl)c2)cc1 ZINC000408637136 569987188 /nfs/dbraw/zinc/98/71/88/569987188.db2.gz YJNGWTJIGQBZIX-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000408674595 570009195 /nfs/dbraw/zinc/00/91/95/570009195.db2.gz ALLNUZMZHQWRFL-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(C)c2)cc1 ZINC000408674552 570009212 /nfs/dbraw/zinc/00/92/12/570009212.db2.gz AIULTIYXIYMTGV-UHFFFAOYSA-N -1 3 488.993 5.174 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2)cc1C ZINC000408674851 570009543 /nfs/dbraw/zinc/00/95/43/570009543.db2.gz KBAHTXXJACTYRI-UHFFFAOYSA-N -1 3 492.519 5.449 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408674956 570009643 /nfs/dbraw/zinc/00/96/43/570009643.db2.gz FJYOGZFHRLRALB-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)c(C)c2)cc1C ZINC000408674894 570009742 /nfs/dbraw/zinc/00/97/42/570009742.db2.gz LOISAABYCIZRMZ-UHFFFAOYSA-N -1 3 480.630 5.862 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408675055 570009828 /nfs/dbraw/zinc/00/98/28/570009828.db2.gz GEPMEKGAMYOIJY-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000408675012 570009886 /nfs/dbraw/zinc/00/98/86/570009886.db2.gz FVNDFTPTWDQGNI-UHFFFAOYSA-N -1 3 472.994 5.590 40 0 JKABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c(C)c1 ZINC000408675061 570009893 /nfs/dbraw/zinc/00/98/93/570009893.db2.gz QGWLZRHZIQWTQK-UHFFFAOYSA-N -1 3 466.603 5.355 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)c(C)c2)cc1 ZINC000408675076 570009948 /nfs/dbraw/zinc/00/99/48/570009948.db2.gz QSAKAWYFHGNGBX-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c(C)c2)cc1C ZINC000408675124 570009995 /nfs/dbraw/zinc/00/99/95/570009995.db2.gz SIMJTSDFAFQYKC-UHFFFAOYSA-N -1 3 492.519 5.449 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c2)cc1C ZINC000408675129 570010000 /nfs/dbraw/zinc/01/00/00/570010000.db2.gz SNWDGAUOUNRDQE-UHFFFAOYSA-N -1 3 493.412 5.737 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408675134 570010027 /nfs/dbraw/zinc/01/00/27/570010027.db2.gz GSAHAEWIYBMTLC-UHFFFAOYSA-N -1 3 487.021 5.592 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(C)c2)cc1C ZINC000408675294 570010170 /nfs/dbraw/zinc/01/01/70/570010170.db2.gz UZUWZLWISIFUND-UHFFFAOYSA-N -1 3 492.519 5.449 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000408675577 570010234 /nfs/dbraw/zinc/01/02/34/570010234.db2.gz JCOBYJGIXYZEQJ-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c1 ZINC000408677774 570011070 /nfs/dbraw/zinc/01/10/70/570011070.db2.gz RKAXCFNBMUHLNJ-UHFFFAOYSA-N -1 3 477.007 5.189 40 0 JKABHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408678246 570011278 /nfs/dbraw/zinc/01/12/78/570011278.db2.gz DMOORWAYRHBMFB-HXUWFJFHSA-N -1 3 497.375 5.729 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408678665 570011399 /nfs/dbraw/zinc/01/13/99/570011399.db2.gz UMJXVWVTQKGCQS-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408678839 570011466 /nfs/dbraw/zinc/01/14/66/570011466.db2.gz ILYKLDSDGAJRDK-NRFANRHFSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408679074 570011617 /nfs/dbraw/zinc/01/16/17/570011617.db2.gz ICJKKJKJVQXRDJ-NRFANRHFSA-N -1 3 479.385 5.590 40 0 JKABHM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408679531 570011887 /nfs/dbraw/zinc/01/18/87/570011887.db2.gz NKAATSQCLFKKCC-HSZRJFAPSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408679946 570012004 /nfs/dbraw/zinc/01/20/04/570012004.db2.gz XAUFZPDQOIOSHD-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000408680413 570012191 /nfs/dbraw/zinc/01/21/91/570012191.db2.gz YUBPLKXLYVHWST-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408680409 570012213 /nfs/dbraw/zinc/01/22/13/570012213.db2.gz RVZPMCFPLJEKET-FQEVSTJZSA-N -1 3 462.930 5.076 40 0 JKABHM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408682346 570012840 /nfs/dbraw/zinc/01/28/40/570012840.db2.gz XOSTZEOCBFYZRO-QFIPXVFZSA-N -1 3 458.967 5.245 40 0 JKABHM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408682345 570012897 /nfs/dbraw/zinc/01/28/97/570012897.db2.gz XOSTZEOCBFYZRO-JOCHJYFZSA-N -1 3 458.967 5.245 40 0 JKABHM COc1cccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408683165 570013181 /nfs/dbraw/zinc/01/31/81/570013181.db2.gz KPIXEAKOXKEKIQ-HSZRJFAPSA-N -1 3 491.392 5.609 40 0 JKABHM Cc1ccc(C([O-])=C(CC(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408684263 570013517 /nfs/dbraw/zinc/01/35/17/570013517.db2.gz NEDXSXUHVMZIFH-QHCPKHFHSA-N -1 3 485.399 5.364 40 0 JKABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4cc(C)ccc4C(C)C)cc3)ccc21 ZINC000408687971 570014402 /nfs/dbraw/zinc/01/44/02/570014402.db2.gz VJYXYYROHIAEMK-UHFFFAOYSA-N -1 3 464.587 5.621 40 0 JKABHM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000408693207 570015834 /nfs/dbraw/zinc/01/58/34/570015834.db2.gz LLDIGZFGQUXNHB-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1C ZINC000408694936 570017454 /nfs/dbraw/zinc/01/74/54/570017454.db2.gz KLIURVWRXDVVRR-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408695439 570017785 /nfs/dbraw/zinc/01/77/85/570017785.db2.gz UWEFSYYEBQVOAH-UHFFFAOYSA-N -1 3 479.385 5.834 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1C ZINC000408695434 570017801 /nfs/dbraw/zinc/01/78/01/570017801.db2.gz UUNGOZIWLOJHLR-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1C ZINC000408695435 570017804 /nfs/dbraw/zinc/01/78/04/570017804.db2.gz UUNGOZIWLOJHLR-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408695777 570018093 /nfs/dbraw/zinc/01/80/93/570018093.db2.gz ZCACSSFHBGIAHE-CQSZACIVSA-N -1 3 495.384 5.209 40 0 JKABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408695727 570018115 /nfs/dbraw/zinc/01/81/15/570018115.db2.gz UJLOPIYWXADYLD-CQSZACIVSA-N -1 3 495.384 5.209 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc2n1Cc1ccccc1 ZINC000225739551 570018826 /nfs/dbraw/zinc/01/88/26/570018826.db2.gz HELIDXVNHOMGKF-UHFFFAOYSA-N -1 3 465.383 5.219 40 0 JKABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000225792853 570021939 /nfs/dbraw/zinc/02/19/39/570021939.db2.gz YTTXWLWKTKVPBS-UHFFFAOYSA-N -1 3 466.603 5.663 40 0 JKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)c(C)c1 ZINC000225800241 570022368 /nfs/dbraw/zinc/02/23/68/570022368.db2.gz QJHOQHPPKOARGL-UHFFFAOYSA-N -1 3 473.019 5.491 40 0 JKABHM COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4Cl)cc3)oc21 ZINC000408703271 570023122 /nfs/dbraw/zinc/02/31/22/570023122.db2.gz QLMXXYMXLOUYEI-UHFFFAOYSA-N -1 3 491.352 5.801 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408703713 570023490 /nfs/dbraw/zinc/02/34/90/570023490.db2.gz XQDXYDJZIUIKTL-AWEZNQCLSA-N -1 3 465.358 5.200 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000408705410 570024500 /nfs/dbraw/zinc/02/45/00/570024500.db2.gz FBZKHBKHRWBXLZ-IBGZPJMESA-N -1 3 487.021 5.780 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 ZINC000408705695 570024799 /nfs/dbraw/zinc/02/47/99/570024799.db2.gz LONXMGHJFYNFNH-GOSISDBHSA-N -1 3 472.994 5.472 40 0 JKABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408705913 570024983 /nfs/dbraw/zinc/02/49/83/570024983.db2.gz QFERNWUSLMGBPP-CQSZACIVSA-N -1 3 495.384 5.209 40 0 JKABHM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000408706052 570025013 /nfs/dbraw/zinc/02/50/13/570025013.db2.gz UDZCBVVBTBJVSE-UHFFFAOYSA-N -1 3 452.576 5.210 40 0 JKABHM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc(Br)c1OCc1ccccc1 ZINC000408734060 570029922 /nfs/dbraw/zinc/02/99/22/570029922.db2.gz CNJGYAQLTPMOSP-UHFFFAOYSA-N -1 3 471.376 6.031 40 0 JKABHM Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3C)c2)cs1 ZINC000226055719 570034780 /nfs/dbraw/zinc/03/47/80/570034780.db2.gz YZVRJTGJQMTVPB-UHFFFAOYSA-N -1 3 493.610 5.245 40 0 JKABHM CCOc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc(Br)c1[O-] ZINC000408799068 570044938 /nfs/dbraw/zinc/04/49/38/570044938.db2.gz GSSMBECJSWSNPQ-UHFFFAOYSA-N -1 3 468.780 5.278 40 0 JKABHM C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Br)ccc2[O-])SC1Nc1ccccc1 ZINC000408805438 570047198 /nfs/dbraw/zinc/04/71/98/570047198.db2.gz KBKHUEJDQVJQGU-APUJPAGKSA-N -1 3 472.428 6.209 40 0 JKABHM CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc(Cl)c1[O-] ZINC000408812916 570049558 /nfs/dbraw/zinc/04/95/58/570049558.db2.gz PVBLLWQUEBAMBO-HFSVPUNZSA-N -1 3 472.030 6.498 40 0 JKABHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1OC ZINC000408906000 570070717 /nfs/dbraw/zinc/07/07/17/570070717.db2.gz BYXBKOKUIFPBRM-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3Cl)cc2)cc1C ZINC000408920576 570076862 /nfs/dbraw/zinc/07/68/62/570076862.db2.gz JAFIFTKTJDOFSL-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000408920371 570076973 /nfs/dbraw/zinc/07/69/73/570076973.db2.gz FBUXJFNXTTYFTL-UHFFFAOYSA-N -1 3 458.580 5.115 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000408925462 570078466 /nfs/dbraw/zinc/07/84/66/570078466.db2.gz TYINUDFKNJGWOL-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408953125 570084446 /nfs/dbraw/zinc/08/44/46/570084446.db2.gz LNYCZFHBZIHZAX-XIKOKIGWSA-N -1 3 455.304 5.570 40 0 JKABHM CC(C)CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000408955909 570084897 /nfs/dbraw/zinc/08/48/97/570084897.db2.gz PPKCWSDIZPKGJU-VWLOTQADSA-N -1 3 476.539 5.667 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000408958557 570085121 /nfs/dbraw/zinc/08/51/21/570085121.db2.gz YYVVXVWNQJXSTO-RDPSFJRHSA-N -1 3 460.496 5.031 40 0 JKABHM COc1c(Br)cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc1Br ZINC000408991263 570094146 /nfs/dbraw/zinc/09/41/46/570094146.db2.gz PZLLRCQYYQRQOY-UHFFFAOYSA-N -1 3 484.213 5.866 40 0 JKABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)N2 ZINC000409055325 570111497 /nfs/dbraw/zinc/11/14/97/570111497.db2.gz KVMAYOAHJFAIPR-ZIYZLLSTSA-N -1 3 474.523 5.277 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(C[C@@H](C(C)(C)C)CC2)[C@]1([O-])C(F)(F)F ZINC000409085482 570123080 /nfs/dbraw/zinc/12/30/80/570123080.db2.gz DAMYSSOBDOJQCP-GAYGKOFMSA-N -1 3 481.342 5.672 40 0 JKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409102968 570129052 /nfs/dbraw/zinc/12/90/52/570129052.db2.gz WVTZLQDIQYUDMZ-RGIROJJOSA-N -1 3 467.315 5.284 40 0 JKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(Cl)cc1Cl)N2 ZINC000409102959 570129083 /nfs/dbraw/zinc/12/90/83/570129083.db2.gz WVTZLQDIQYUDMZ-AGMRTUQYSA-N -1 3 467.315 5.284 40 0 JKABHM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)S1 ZINC000409125945 570137826 /nfs/dbraw/zinc/13/78/26/570137826.db2.gz BJGYFIZVTPZMLE-IDUWFGFVSA-N -1 3 492.192 5.539 40 0 JKABHM O=C1[N-]C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)S1 ZINC000409132799 570140896 /nfs/dbraw/zinc/14/08/96/570140896.db2.gz LAXSICNOOGTLOQ-FMQZQXMHSA-N -1 3 465.731 5.569 40 0 JKABHM Cc1ccccc1OCCn1cc(C=C2SC(=O)[N-]C2=O)c2cc(Br)ccc21 ZINC000409136217 570142408 /nfs/dbraw/zinc/14/24/08/570142408.db2.gz RRUCOBJIRAZHID-GRSHGNNSSA-N -1 3 457.349 5.115 40 0 JKABHM COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc(Br)c1[O-] ZINC000409170923 570154850 /nfs/dbraw/zinc/15/48/50/570154850.db2.gz XENLMWOLRQCZFQ-OVCLIPMQSA-N -1 3 499.180 5.162 40 0 JKABHM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000409175054 570156538 /nfs/dbraw/zinc/15/65/38/570156538.db2.gz YUJHVGVCIAOFLE-WUXMJOGZSA-N -1 3 481.788 6.100 40 0 JKABHM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c2ccccc2)cc1 ZINC000409175516 570156752 /nfs/dbraw/zinc/15/67/52/570156752.db2.gz ZVDFZIXWKIBZJY-VFCFBJKWSA-N -1 3 498.604 5.984 40 0 JKABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409178538 570158061 /nfs/dbraw/zinc/15/80/61/570158061.db2.gz KVWYEGPFELHESU-IUXPMGMMSA-N -1 3 481.357 5.081 40 0 JKABHM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000409179902 570158596 /nfs/dbraw/zinc/15/85/96/570158596.db2.gz PMNYCYXTBOSKPB-UHFFFAOYSA-N -1 3 461.008 5.570 40 0 JKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409180261 570158764 /nfs/dbraw/zinc/15/87/64/570158764.db2.gz VPWTWNLPZMLZOH-STXHMFSFSA-N -1 3 462.965 5.485 40 0 JKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409180255 570158813 /nfs/dbraw/zinc/15/88/13/570158813.db2.gz VPWTWNLPZMLZOH-QEEYODRMSA-N -1 3 462.965 5.485 40 0 JKABHM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409181122 570159166 /nfs/dbraw/zinc/15/91/66/570159166.db2.gz WYSNBDKWUZBQKS-HNNXBMFYSA-N -1 3 495.453 6.222 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)cc1 ZINC000409184720 570160463 /nfs/dbraw/zinc/16/04/63/570160463.db2.gz ZPILHCKITWOGEB-LGUFXXKBSA-N -1 3 488.565 5.658 40 0 JKABHM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCc1c(F)cccc1Cl ZINC000409252961 570186176 /nfs/dbraw/zinc/18/61/76/570186176.db2.gz VKFNEGAXURZICZ-UHFFFAOYSA-N -1 3 484.980 6.713 40 0 JKABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)cc(Br)c1OC(=O)c1ccc(C)cc1 ZINC000409263189 570187933 /nfs/dbraw/zinc/18/79/33/570187933.db2.gz AYFSKSRSBZMXAO-UHFFFAOYSA-N -1 3 465.303 5.301 40 0 JKABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc(Br)c1OCc1ccncc1 ZINC000409263775 570188095 /nfs/dbraw/zinc/18/80/95/570188095.db2.gz BZBOBMKDCULYDI-UHFFFAOYSA-N -1 3 498.402 5.688 40 0 JKABHM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408543996 570192234 /nfs/dbraw/zinc/19/22/34/570192234.db2.gz GMYJBJVJVVOAET-UHFFFAOYSA-N -1 3 470.765 6.092 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408544256 570192350 /nfs/dbraw/zinc/19/23/50/570192350.db2.gz UOXNTBJOPVRFEC-UHFFFAOYSA-N -1 3 482.968 5.780 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408550118 570194799 /nfs/dbraw/zinc/19/47/99/570194799.db2.gz BQCIHFTWBXLURI-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1NC(=O)c1ccccc1 ZINC000408550731 570195030 /nfs/dbraw/zinc/19/50/30/570195030.db2.gz HAJZGMDKEZOBAU-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408551696 570195369 /nfs/dbraw/zinc/19/53/69/570195369.db2.gz LZZZYYXKKXJGEH-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1Cl ZINC000408552319 570195504 /nfs/dbraw/zinc/19/55/04/570195504.db2.gz LWBFIZLNVUSLQJ-UHFFFAOYSA-N -1 3 484.883 5.177 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1NC(=O)c1ccccc1 ZINC000408554586 570196281 /nfs/dbraw/zinc/19/62/81/570196281.db2.gz CMLHSTJYZJIWAT-UHFFFAOYSA-N -1 3 499.803 6.099 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1C ZINC000408554600 570196323 /nfs/dbraw/zinc/19/63/23/570196323.db2.gz CPAVSVLARYZAHK-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408555676 570196946 /nfs/dbraw/zinc/19/69/46/570196946.db2.gz FOUNQTYQZLDDAA-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(C)c1 ZINC000408555989 570197095 /nfs/dbraw/zinc/19/70/95/570197095.db2.gz YMVOHRIISBDVKB-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408556267 570197310 /nfs/dbraw/zinc/19/73/10/570197310.db2.gz HIWWMYCJZVDTPO-UHFFFAOYSA-N -1 3 499.803 6.099 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccccc1C ZINC000408557101 570197922 /nfs/dbraw/zinc/19/79/22/570197922.db2.gz LAQJSTWCARUVLI-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 ZINC000408557071 570197975 /nfs/dbraw/zinc/19/79/75/570197975.db2.gz KSXURJHADANGCG-UHFFFAOYSA-N -1 3 452.576 5.182 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557403 570198142 /nfs/dbraw/zinc/19/81/42/570198142.db2.gz MNFHYWJDJITGNJ-UHFFFAOYSA-N -1 3 479.385 5.672 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557572 570198297 /nfs/dbraw/zinc/19/82/97/570198297.db2.gz NWUHJWZFHQEZSC-UHFFFAOYSA-N -1 3 472.994 5.915 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000408557965 570198569 /nfs/dbraw/zinc/19/85/69/570198569.db2.gz PDUXHKDAQOGYKZ-UHFFFAOYSA-N -1 3 452.576 5.481 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557950 570198642 /nfs/dbraw/zinc/19/86/42/570198642.db2.gz OZMQFOUAABDVGY-UHFFFAOYSA-N -1 3 472.994 5.717 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558740 570199192 /nfs/dbraw/zinc/19/91/92/570199192.db2.gz SSEGESPFAJVBMO-UHFFFAOYSA-N -1 3 499.803 6.099 40 0 JKABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408559126 570199583 /nfs/dbraw/zinc/19/95/83/570199583.db2.gz LHFNRWQADRGGKO-UHFFFAOYSA-N -1 3 496.532 5.246 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccccc1 ZINC000408559796 570199961 /nfs/dbraw/zinc/19/99/61/570199961.db2.gz YYEPDJYZVDDQNV-UHFFFAOYSA-N -1 3 488.565 5.327 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559722 570199972 /nfs/dbraw/zinc/19/99/72/570199972.db2.gz XWQYRDWGDMVKIZ-UHFFFAOYSA-N -1 3 499.803 6.099 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559739 570199994 /nfs/dbraw/zinc/19/99/94/570199994.db2.gz YHMVVRVZTRYZFG-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)c(C)c2)cc1 ZINC000408561267 570200923 /nfs/dbraw/zinc/20/09/23/570200923.db2.gz HILZVUPMXDVNFQ-UHFFFAOYSA-N -1 3 466.603 5.554 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccccc1C ZINC000408561437 570201025 /nfs/dbraw/zinc/20/10/25/570201025.db2.gz SLJKLSJZNPDIGR-UHFFFAOYSA-N -1 3 488.565 5.849 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc1Cl ZINC000408562528 570201889 /nfs/dbraw/zinc/20/18/89/570201889.db2.gz QRRKFCJJOBKMFM-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc1 ZINC000408564540 570202626 /nfs/dbraw/zinc/20/26/26/570202626.db2.gz ZHLUFANCGGWTPN-UHFFFAOYSA-N -1 3 476.957 5.421 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000408581837 570206846 /nfs/dbraw/zinc/20/68/46/570206846.db2.gz ARFFRZBTYLBBAU-UHFFFAOYSA-N -1 3 480.973 5.620 40 0 JKABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)ccc1OCC ZINC000408585081 570207869 /nfs/dbraw/zinc/20/78/69/570207869.db2.gz CEOKMXGEBQUXJG-UHFFFAOYSA-N -1 3 466.865 5.127 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 ZINC000408585522 570207945 /nfs/dbraw/zinc/20/79/45/570207945.db2.gz ZBSSUMPRLLEPMH-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408585547 570207981 /nfs/dbraw/zinc/20/79/81/570207981.db2.gz ZKPKMVWBNQSSLJ-UHFFFAOYSA-N -1 3 472.994 5.338 40 0 JKABHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000408587382 570208345 /nfs/dbraw/zinc/20/83/45/570208345.db2.gz BQTNTQZVWDJUAN-OAQYLSRUSA-N -1 3 477.413 5.139 40 0 JKABHM CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408588220 570208512 /nfs/dbraw/zinc/20/85/12/570208512.db2.gz CYRTXXSYCPVXKA-OAQYLSRUSA-N -1 3 477.413 5.084 40 0 JKABHM O=C(Nc1cccc(Cl)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408589767 570208868 /nfs/dbraw/zinc/20/88/68/570208868.db2.gz FLFLHBYDHFUPQL-IBGZPJMESA-N -1 3 483.804 5.175 40 0 JKABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408589926 570208904 /nfs/dbraw/zinc/20/89/04/570208904.db2.gz IHHJZSARDYNJFV-UHFFFAOYSA-N -1 3 458.967 5.029 40 0 JKABHM Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408590330 570209023 /nfs/dbraw/zinc/20/90/23/570209023.db2.gz GAGYHDQSASUGKJ-OAQYLSRUSA-N -1 3 477.413 5.139 40 0 JKABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408590553 570209032 /nfs/dbraw/zinc/20/90/32/570209032.db2.gz JSGFWEOOECYVEZ-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c2)cc1 ZINC000408591090 570209188 /nfs/dbraw/zinc/20/91/88/570209188.db2.gz IROKDHUCKCCGIE-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408591079 570209217 /nfs/dbraw/zinc/20/92/17/570209217.db2.gz IHUQPNUVPRZYOH-OAQYLSRUSA-N -1 3 477.413 5.139 40 0 JKABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1Cl ZINC000408592193 570209382 /nfs/dbraw/zinc/20/93/82/570209382.db2.gz KMNRYYKMOJLWDM-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000408592275 570209409 /nfs/dbraw/zinc/20/94/09/570209409.db2.gz JSIVBHKTOIUKSH-NRFANRHFSA-N -1 3 477.413 5.139 40 0 JKABHM Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592290 570209422 /nfs/dbraw/zinc/20/94/22/570209422.db2.gz JVMAVQNJBDLZAY-FQEVSTJZSA-N -1 3 497.831 5.484 40 0 JKABHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000408593150 570209681 /nfs/dbraw/zinc/20/96/81/570209681.db2.gz LRWSFXHKNZZDDB-HXUWFJFHSA-N -1 3 497.831 5.484 40 0 JKABHM O=C(Nc1ccccc1Cl)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593327 570209718 /nfs/dbraw/zinc/20/97/18/570209718.db2.gz MJXUGIDIQMREPU-IBGZPJMESA-N -1 3 483.804 5.175 40 0 JKABHM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc21 ZINC000020765698 195221098 /nfs/dbraw/zinc/22/10/98/195221098.db2.gz WXSFHWAHNWGXJZ-UHFFFAOYSA-N -1 3 461.370 5.387 40 0 JKABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766407 195221699 /nfs/dbraw/zinc/22/16/99/195221699.db2.gz LTLHQQDBGYIVKU-UHFFFAOYSA-N -1 3 469.006 5.857 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766599 195222239 /nfs/dbraw/zinc/22/22/39/195222239.db2.gz JFKFHHJECSZFCJ-UHFFFAOYSA-N -1 3 483.033 6.076 40 0 JKABHM O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc21 ZINC000020767199 195222482 /nfs/dbraw/zinc/22/24/82/195222482.db2.gz IHQQWGRHRDMZNY-UHFFFAOYSA-N -1 3 495.815 6.041 40 0 JKABHM O=C(c1ccccc1[O-])N1[C@H](c2ccccc2)c2ccc3cccnc3c2O[C@H]1c1ccccc1 ZINC000059382529 195398287 /nfs/dbraw/zinc/39/82/87/195398287.db2.gz VUMPVVNIYMXIOY-OFSOJUDTSA-N -1 3 458.517 6.263 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccccc1 ZINC000224867604 195470668 /nfs/dbraw/zinc/47/06/68/195470668.db2.gz KSOMKKBKTIHBPH-CLJLJLNGSA-N -1 3 489.044 6.084 40 0 JKABHM CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020487104 519847645 /nfs/dbraw/zinc/84/76/45/519847645.db2.gz AJGBDLSJMMMHFT-KRWDZBQOSA-N -1 3 456.539 5.156 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2)cc1 ZINC000020456278 521132203 /nfs/dbraw/zinc/13/22/03/521132203.db2.gz APDKLIPIUZHXCU-UHFFFAOYSA-N -1 3 476.554 5.300 40 0 JKABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044847707 521684381 /nfs/dbraw/zinc/68/43/81/521684381.db2.gz UGROTMJBISYYIN-UHFFFAOYSA-N -1 3 479.602 5.250 40 0 JKABHM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000020493489 522873570 /nfs/dbraw/zinc/87/35/70/522873570.db2.gz WQABNZCCHKKTRI-QFIPXVFZSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000022528791 522874844 /nfs/dbraw/zinc/87/48/44/522874844.db2.gz URSVVAXYANDJRZ-NRFANRHFSA-N -1 3 462.930 5.076 40 0 JKABHM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000022534061 522877662 /nfs/dbraw/zinc/87/76/62/522877662.db2.gz BZWYSPMLUBKMGW-SANMLTNESA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020454818 522883847 /nfs/dbraw/zinc/88/38/47/522883847.db2.gz NKCCLIDCPGKPTD-NRFANRHFSA-N -1 3 479.385 5.590 40 0 JKABHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020456146 522895175 /nfs/dbraw/zinc/89/51/75/522895175.db2.gz WCAXGCMFOOUWED-FQEVSTJZSA-N -1 3 493.412 5.899 40 0 JKABHM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000020493488 523041963 /nfs/dbraw/zinc/04/19/63/523041963.db2.gz WQABNZCCHKKTRI-JOCHJYFZSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000044841798 523046470 /nfs/dbraw/zinc/04/64/70/523046470.db2.gz XKWBCBVVYKYFIV-HHHXNRCGSA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020456145 523058365 /nfs/dbraw/zinc/05/83/65/523058365.db2.gz WCAXGCMFOOUWED-HXUWFJFHSA-N -1 3 493.412 5.899 40 0 JKABHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020462657 523061114 /nfs/dbraw/zinc/06/11/14/523061114.db2.gz HFJXPBILALWGTN-OAQYLSRUSA-N -1 3 458.967 5.245 40 0 JKABHM Cc1ccc2oc(-c3ccc(Cl)c([N-]C(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 ZINC000022534565 524085752 /nfs/dbraw/zinc/08/57/52/524085752.db2.gz NPNHBSABOZUACC-UHFFFAOYSA-N -1 3 452.766 6.404 40 0 JKABHM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000044842831 524249569 /nfs/dbraw/zinc/24/95/69/524249569.db2.gz OPTJYXXIQMEWST-SFHVURJKSA-N -1 3 472.994 5.472 40 0 JKABHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 ZINC000044885324 524327099 /nfs/dbraw/zinc/32/70/99/524327099.db2.gz CIQFCVPDJXPNAN-UHFFFAOYSA-N -1 3 450.604 5.962 40 0 JKABHM Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C ZINC000022536957 524333907 /nfs/dbraw/zinc/33/39/07/524333907.db2.gz MVWIMQWGKVUYTJ-IBGZPJMESA-N -1 3 487.021 5.322 40 0 JKABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)c1 ZINC000013768551 524918793 /nfs/dbraw/zinc/91/87/93/524918793.db2.gz IBYZXIMWJRVOOK-GIWBLDEGSA-N -1 3 499.350 5.062 40 0 JKABHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000020453180 525112621 /nfs/dbraw/zinc/11/26/21/525112621.db2.gz AUKJLHHNHSEYSM-GOSISDBHSA-N -1 3 470.616 5.232 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022569409 525262848 /nfs/dbraw/zinc/26/28/48/525262848.db2.gz GZDWGRLKUYKQQL-UHFFFAOYSA-N -1 3 461.612 6.228 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccccc2Br)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022739146 525263231 /nfs/dbraw/zinc/26/32/31/525263231.db2.gz IPKSLYKOQGASBY-UHFFFAOYSA-N -1 3 482.359 5.398 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)c(C)c2)cc1 ZINC000022537193 525301445 /nfs/dbraw/zinc/30/14/45/525301445.db2.gz OOBJGSRYHDIRTM-JOCHJYFZSA-N -1 3 480.630 5.286 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)cc1 ZINC000044946807 525302884 /nfs/dbraw/zinc/30/28/84/525302884.db2.gz MIPYDJKDASLMFT-UHFFFAOYSA-N -1 3 497.620 5.611 40 0 JKABHM Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000022509110 525318876 /nfs/dbraw/zinc/31/88/76/525318876.db2.gz RJICQZVGUGKWBK-HNNXBMFYSA-N -1 3 479.385 5.509 40 0 JKABHM Cc1ccccc1[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000044886297 525429824 /nfs/dbraw/zinc/42/98/24/525429824.db2.gz QURKTSUFXOBYNI-AREMUKBSSA-N -1 3 491.012 5.969 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2Cl)cc1 ZINC000020489144 525596342 /nfs/dbraw/zinc/59/63/42/525596342.db2.gz YLCJPWXNHHEIGJ-UHFFFAOYSA-N -1 3 498.048 5.028 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2Cl)cc1 ZINC000020494612 525598790 /nfs/dbraw/zinc/59/87/90/525598790.db2.gz WGXFHUNWBOXVKD-UHFFFAOYSA-N -1 3 459.011 5.148 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2Cl)cc1 ZINC000044903773 525599818 /nfs/dbraw/zinc/59/98/18/525599818.db2.gz YONJEGKLDGBDHR-UHFFFAOYSA-N -1 3 458.967 5.489 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2Cl)cc1 ZINC000020492959 525601234 /nfs/dbraw/zinc/60/12/34/525601234.db2.gz ZQDOHKNDHPHSBF-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2Cl)cc1 ZINC000022513629 525601511 /nfs/dbraw/zinc/60/15/11/525601511.db2.gz QOFWILAREAQOQW-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(Br)c3)cc2Cl)cc1 ZINC000044899684 525602758 /nfs/dbraw/zinc/60/27/58/525602758.db2.gz KMSLYZQKUCKVLU-UHFFFAOYSA-N -1 3 479.783 5.464 40 0 JKABHM Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c2ccccc2)cc1 ZINC000044900800 525773402 /nfs/dbraw/zinc/77/34/02/525773402.db2.gz PSESIQPFQGUCGY-SANMLTNESA-N -1 3 491.012 5.969 40 0 JKABHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000044884383 525948084 /nfs/dbraw/zinc/94/80/84/525948084.db2.gz SBLOQSWNGRSSLI-ZDUSSCGKSA-N -1 3 499.803 5.854 40 0 JKABHM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000022749713 526215643 /nfs/dbraw/zinc/21/56/43/526215643.db2.gz QXHSOZMJPMRQMT-UHFFFAOYSA-N -1 3 491.569 5.468 40 0 JKABHM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000044947730 527024592 /nfs/dbraw/zinc/02/45/92/527024592.db2.gz UJLURQXMCYFMEX-UHFFFAOYSA-N -1 3 499.416 5.805 40 0 JKABHM O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020493980 527164146 /nfs/dbraw/zinc/16/41/46/527164146.db2.gz DMRBXDKYFYFNOA-UHFFFAOYSA-N -1 3 454.857 5.412 40 0 JKABHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044900205 527173489 /nfs/dbraw/zinc/17/34/89/527173489.db2.gz JLAIPQFZNLHARP-UHFFFAOYSA-N -1 3 489.302 6.065 40 0 JKABHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022514324 527248513 /nfs/dbraw/zinc/24/85/13/527248513.db2.gz VJHBYQRBARTZNJ-UHFFFAOYSA-N -1 3 492.984 5.972 40 0 JKABHM O=C(Nc1cccc(Cl)c1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020456833 527346047 /nfs/dbraw/zinc/34/60/47/527346047.db2.gz XXFXEFFDNBVAAO-UHFFFAOYSA-N -1 3 455.750 5.700 40 0 JKABHM O=C(Nc1ccccc1Br)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044884418 527408089 /nfs/dbraw/zinc/40/80/89/527408089.db2.gz IOUKXOTYLAPICY-UHFFFAOYSA-N -1 3 465.756 5.156 40 0 JKABHM O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020451731 527434234 /nfs/dbraw/zinc/43/42/34/527434234.db2.gz RMZGOWFHFNDNFG-UHFFFAOYSA-N -1 3 478.957 6.185 40 0 JKABHM O=C(Nc1cc(Cl)ccc1[O-])c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000865884 553805095 /nfs/dbraw/zinc/80/50/95/553805095.db2.gz CRZYYTCVZLFJIZ-GXFFZTMASA-N -1 3 477.295 5.870 40 0 JKABHM C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1Cc1ccco1 ZINC000000896858 553832841 /nfs/dbraw/zinc/83/28/41/553832841.db2.gz YNVQCYSJZNCGFQ-GOSISDBHSA-N -1 3 496.592 5.515 40 0 JKABHM CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2[O-])cc1 ZINC000000904563 553837219 /nfs/dbraw/zinc/83/72/19/553837219.db2.gz LRMRVEPTDZOSLR-UHFFFAOYSA-N -1 3 480.977 5.423 40 0 JKABHM CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1OC ZINC000000915889 553846068 /nfs/dbraw/zinc/84/60/68/553846068.db2.gz BVSDKAPHSCLNIT-UHFFFAOYSA-N -1 3 474.586 5.250 40 0 JKABHM COc1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1[O-] ZINC000000915844 553846138 /nfs/dbraw/zinc/84/61/38/553846138.db2.gz CKPUGVNJWIMVBL-UHFFFAOYSA-N -1 3 466.950 5.033 40 0 JKABHM Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000001223714 553935106 /nfs/dbraw/zinc/93/51/06/553935106.db2.gz YOCQZAZLUDLJFU-IBGZPJMESA-N -1 3 458.587 5.321 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000001223730 553935139 /nfs/dbraw/zinc/93/51/39/553935139.db2.gz XBQICBPTDAEFIJ-UHFFFAOYSA-N -1 3 484.503 5.449 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)Nc1ccccc1Cl ZINC000001223729 553935148 /nfs/dbraw/zinc/93/51/48/553935148.db2.gz OYCADAVOOLFUGT-UHFFFAOYSA-N -1 3 450.951 5.083 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000001223731 553935171 /nfs/dbraw/zinc/93/51/71/553935171.db2.gz CXSNTWPDXSEZOZ-UHFFFAOYSA-N -1 3 450.951 5.083 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)c(C)c1 ZINC000001861789 553998055 /nfs/dbraw/zinc/99/80/55/553998055.db2.gz IQHBIZAEJKPILU-UHFFFAOYSA-N -1 3 451.935 5.597 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000002409133 554190643 /nfs/dbraw/zinc/19/06/43/554190643.db2.gz ATXDEDKBOFKTTG-SDHSZQHLSA-N -1 3 460.505 5.056 40 0 JKABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002422442 554199307 /nfs/dbraw/zinc/19/93/07/554199307.db2.gz JVAPSYWNJQZRSO-ZLNRFVROSA-N -1 3 483.351 5.443 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000002451933 554218949 /nfs/dbraw/zinc/21/89/49/554218949.db2.gz NUSLVQVAMIDFEU-VSKRKVRLSA-N -1 3 452.432 5.065 40 0 JKABHM Cc1ccc2sc3nc(-c4ccc(-c5ccccc5)cc4)c(CN4CCC(C(=O)[O-])CC4)n3c2c1 ZINC000002528901 554232606 /nfs/dbraw/zinc/23/26/06/554232606.db2.gz DDVPETQQSOYDRO-UHFFFAOYSA-N -1 3 481.621 6.488 40 0 JKABHM CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000005946821 554497682 /nfs/dbraw/zinc/49/76/82/554497682.db2.gz LOJJCAZAGGFWDC-UHFFFAOYSA-N -1 3 477.611 5.893 40 0 JKABHM CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c1 ZINC000005946294 554497714 /nfs/dbraw/zinc/49/77/14/554497714.db2.gz QTNDHCOTHJWYSO-UHFFFAOYSA-N -1 3 475.570 5.815 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc2-c2ccccc2[O-])cc1 ZINC000006280175 554524499 /nfs/dbraw/zinc/52/44/99/554524499.db2.gz GQTLHAXQSOKXRJ-UHFFFAOYSA-N -1 3 484.503 5.698 40 0 JKABHM Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2[O-])cc1 ZINC000006280276 554524557 /nfs/dbraw/zinc/52/45/57/554524557.db2.gz CKOIKLNVGBBOGV-LJQANCHMSA-N -1 3 458.587 5.684 40 0 JKABHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000006474857 554544541 /nfs/dbraw/zinc/54/45/41/554544541.db2.gz QQARMWAUNCXQLO-UHFFFAOYSA-N -1 3 471.969 6.422 40 0 JKABHM CC(C)(C)C(=O)[C@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000008744464 554647841 /nfs/dbraw/zinc/64/78/41/554647841.db2.gz MJIMMXRDPQQIMF-CDLOMYRSSA-N -1 3 482.605 5.337 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1F)c1cccc(Cl)c1 ZINC000008810228 554689634 /nfs/dbraw/zinc/68/96/34/554689634.db2.gz DJOQNLJEVRUKKY-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1F)c1ccc(Cl)cc1Cl ZINC000008810546 554690748 /nfs/dbraw/zinc/69/07/48/554690748.db2.gz UXZBJSOROBVKHY-UHFFFAOYSA-N -1 3 475.275 5.464 40 0 JKABHM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1cccc2c(Cl)cccc12 ZINC000008833121 554729845 /nfs/dbraw/zinc/72/98/45/554729845.db2.gz SSFCXXCETBLWEV-UHFFFAOYSA-N -1 3 490.009 6.602 40 0 JKABHM O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1c([O-])ccc2ccccc21 ZINC000008833296 554730572 /nfs/dbraw/zinc/73/05/72/554730572.db2.gz LOUAVMOAGUKNRX-JXMROGBWSA-N -1 3 483.376 6.639 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)ccc3[O-])oc2c1 ZINC000008835176 554733480 /nfs/dbraw/zinc/73/34/80/554733480.db2.gz XUJDWMPZTRAHQO-UHFFFAOYSA-N -1 3 493.588 6.154 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)ccc3[O-])oc2c1 ZINC000008835180 554733545 /nfs/dbraw/zinc/73/35/45/554733545.db2.gz KCVLPAZYGPQDGF-UHFFFAOYSA-N -1 3 487.968 6.442 40 0 JKABHM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1 ZINC000008835171 554733580 /nfs/dbraw/zinc/73/35/80/554733580.db2.gz AHOANTQUKVBDKI-UHFFFAOYSA-N -1 3 475.570 5.815 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(Br)cc4)ccc3[O-])nc2c1 ZINC000008835201 554733730 /nfs/dbraw/zinc/73/37/30/554733730.db2.gz OLFLZDFTGHGKMT-UHFFFAOYSA-N -1 3 496.386 5.652 40 0 JKABHM CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1Cl ZINC000008835187 554733747 /nfs/dbraw/zinc/73/37/47/554733747.db2.gz RUZHIMVKNUGFER-UHFFFAOYSA-N -1 3 495.988 5.996 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)ccc3[O-])oc2c(C)c1 ZINC000008835193 554733782 /nfs/dbraw/zinc/73/37/82/554733782.db2.gz HJEBTNZWCWGWBB-UHFFFAOYSA-N -1 3 489.597 5.979 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)c(C)c1 ZINC000009063612 554881427 /nfs/dbraw/zinc/88/14/27/554881427.db2.gz UPMSARSXMLLFCJ-UHFFFAOYSA-N -1 3 495.620 5.094 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3[O-])nc2c1 ZINC000009064921 554884355 /nfs/dbraw/zinc/88/43/55/554884355.db2.gz BRXGCROVLSDNDU-UHFFFAOYSA-N -1 3 459.571 6.013 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5ccccc5c4)ccc3[O-])nc2c1 ZINC000009064923 554884400 /nfs/dbraw/zinc/88/44/00/554884400.db2.gz NSALNWYAWRWELY-UHFFFAOYSA-N -1 3 467.550 6.043 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)ccc3[O-])oc2c(C)c1 ZINC000009064907 554884422 /nfs/dbraw/zinc/88/44/22/554884422.db2.gz QLIVNZHVXLEZKK-UHFFFAOYSA-N -1 3 473.598 6.242 40 0 JKABHM Cc1ccccc1OCC(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000009064889 554884447 /nfs/dbraw/zinc/88/44/47/554884447.db2.gz ZFDBFNGUESGAKO-UHFFFAOYSA-N -1 3 463.584 5.178 40 0 JKABHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009424312 555188861 /nfs/dbraw/zinc/18/88/61/555188861.db2.gz JZQHUOCERVLIIQ-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1cc(C)cc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000009461130 555228614 /nfs/dbraw/zinc/22/86/14/555228614.db2.gz UEVQERKSIRJSAR-ZLNRFVROSA-N -1 3 477.358 5.117 40 0 JKABHM Cc1[n-]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nc(=O)c1Cc1ccccc1 ZINC000009731913 555469260 /nfs/dbraw/zinc/46/92/60/555469260.db2.gz DDWVUIFWXADSCI-HXUWFJFHSA-N -1 3 485.996 6.157 40 0 JKABHM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013513367 555484261 /nfs/dbraw/zinc/48/42/61/555484261.db2.gz VEZFHJVGNZZXTO-HVVFZDMJSA-N -1 3 450.579 5.370 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000013514400 555485451 /nfs/dbraw/zinc/48/54/51/555485451.db2.gz NVTAQODLHBKFID-HJOGWXRNSA-N -1 3 497.378 5.833 40 0 JKABHM CC(C)c1ccc(NC(=N)Nc2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)cc1 ZINC000013634042 555543615 /nfs/dbraw/zinc/54/36/15/555543615.db2.gz NXFHERZJPRZEFZ-UHFFFAOYSA-N -1 3 450.593 5.254 40 0 JKABHM Cc1ccc(NC(=N)Nc2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)cc1Cl ZINC000013634079 555543881 /nfs/dbraw/zinc/54/38/81/555543881.db2.gz VTVVCKJJLINZOQ-UHFFFAOYSA-N -1 3 456.984 5.092 40 0 JKABHM CCn1c2ccccc2c2cc(NC(=O)Cc3cnc(-c4ccc(Cl)cc4)[n-]c3=O)ccc21 ZINC000019937708 555554326 /nfs/dbraw/zinc/55/43/26/555554326.db2.gz LRGFXANFAUAMEK-UHFFFAOYSA-N -1 3 456.933 5.399 40 0 JKABHM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000010000629 555590094 /nfs/dbraw/zinc/59/00/94/555590094.db2.gz XZSJKXLRJBDVBH-WTDSWWLTSA-N -1 3 491.352 5.175 40 0 JKABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000020020407 555597316 /nfs/dbraw/zinc/59/73/16/555597316.db2.gz KRAUMFFCLNNKME-OAHLLOKOSA-N -1 3 479.385 5.050 40 0 JKABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1 ZINC000020021614 555598695 /nfs/dbraw/zinc/59/86/95/555598695.db2.gz BJALGCVCGWKEKM-IBGZPJMESA-N -1 3 484.643 5.082 40 0 JKABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000020022586 555600337 /nfs/dbraw/zinc/60/03/37/555600337.db2.gz JQYAGLACSFZDKQ-HXUWFJFHSA-N -1 3 498.670 5.391 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000013749980 555608741 /nfs/dbraw/zinc/60/87/41/555608741.db2.gz DARZNMVGTHKPQI-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3[C@@]2(CC)CCC(CC)=CO2)cc1 ZINC000013751402 555610013 /nfs/dbraw/zinc/61/00/13/555610013.db2.gz QJZAAVNLNNRBFQ-GSTLAZBSSA-N -1 3 490.600 5.407 40 0 JKABHM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000020036162 555610710 /nfs/dbraw/zinc/61/07/10/555610710.db2.gz QTNTVMPZYUSZQW-LJQANCHMSA-N -1 3 452.576 5.073 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020037111 555611204 /nfs/dbraw/zinc/61/12/04/555611204.db2.gz ZITMRHWMIKXBPV-HXUWFJFHSA-N -1 3 482.602 5.217 40 0 JKABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013768293 555613434 /nfs/dbraw/zinc/61/34/34/555613434.db2.gz IGYJUWUTOCSWLQ-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000013777943 555617453 /nfs/dbraw/zinc/61/74/53/555617453.db2.gz CFBQIAMWYCHNHS-PKTNWEFCSA-N -1 3 498.623 6.214 40 0 JKABHM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000020047241 555617598 /nfs/dbraw/zinc/61/75/98/555617598.db2.gz QIRPLOZNIYSHLY-HSZRJFAPSA-N -1 3 456.539 5.039 40 0 JKABHM Cc1[nH]c2ccccc2c1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000013778648 555617730 /nfs/dbraw/zinc/61/77/30/555617730.db2.gz ZJLRIAFKGZDUFS-SGNDLWITSA-N -1 3 492.362 5.834 40 0 JKABHM O=C(Nc1ccc(Br)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020048980 555618503 /nfs/dbraw/zinc/61/85/03/555618503.db2.gz RTKAFNUOFUUURD-UHFFFAOYSA-N -1 3 465.756 5.156 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000013786250 555618831 /nfs/dbraw/zinc/61/88/31/555618831.db2.gz PQWOEEQMSCRUAP-AWCRTANDSA-N -1 3 490.559 5.625 40 0 JKABHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000013788396 555620113 /nfs/dbraw/zinc/62/01/13/555620113.db2.gz FPSDNMWJSNNGOE-VJBWXMMDSA-N -1 3 483.351 5.443 40 0 JKABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000013804538 555622642 /nfs/dbraw/zinc/62/26/42/555622642.db2.gz CPVCJMVMLUVMEX-VJBWXMMDSA-N -1 3 498.457 5.035 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000013807022 555623673 /nfs/dbraw/zinc/62/36/73/555623673.db2.gz CMEDXUQINCEJCE-VJGNERBWSA-N -1 3 464.496 5.544 40 0 JKABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013806301 555623746 /nfs/dbraw/zinc/62/37/46/555623746.db2.gz QELXDQHSKNAKKE-ZNZIZOMTSA-N -1 3 490.531 5.064 40 0 JKABHM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020105366 555638716 /nfs/dbraw/zinc/63/87/16/555638716.db2.gz KJLUAOUGGOAASZ-JOCHJYFZSA-N -1 3 472.994 5.554 40 0 JKABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1Cl ZINC000020110457 555646527 /nfs/dbraw/zinc/64/65/27/555646527.db2.gz VUDURIWMQJLYDV-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1 ZINC000013981241 555666498 /nfs/dbraw/zinc/66/64/98/555666498.db2.gz WMXXKTQFMMGOFS-FRKPEAEDSA-N -1 3 456.951 5.191 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000014006993 555668668 /nfs/dbraw/zinc/66/86/68/555668668.db2.gz BIVGDVMJVCCMIZ-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014013554 555670707 /nfs/dbraw/zinc/67/07/07/555670707.db2.gz URKJUSLQQUGRQZ-HSZRJFAPSA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000014022303 555673332 /nfs/dbraw/zinc/67/33/32/555673332.db2.gz VIKXXHMCDBRPMZ-DEOSSOPVSA-N -1 3 452.576 5.209 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010314540 555680112 /nfs/dbraw/zinc/68/01/12/555680112.db2.gz QQPNGSFXBRDTGA-UHFFFAOYSA-N -1 3 463.603 5.034 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 ZINC000010364952 555697600 /nfs/dbraw/zinc/69/76/00/555697600.db2.gz GLERTDTYGWDSDF-UHFFFAOYSA-N -1 3 450.604 5.799 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1 ZINC000010366821 555698172 /nfs/dbraw/zinc/69/81/72/555698172.db2.gz CSSXNCNICMGLMJ-UHFFFAOYSA-N -1 3 452.576 5.191 40 0 JKABHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000010372238 555700229 /nfs/dbraw/zinc/70/02/29/555700229.db2.gz RIVDKYOQKGZGLI-UHFFFAOYSA-N -1 3 454.567 5.495 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1 ZINC000010372224 555700294 /nfs/dbraw/zinc/70/02/94/555700294.db2.gz GLMDNEFWNXCULN-UHFFFAOYSA-N -1 3 466.603 5.581 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3[O-])oc2c1 ZINC000014270235 555761785 /nfs/dbraw/zinc/76/17/85/555761785.db2.gz BJFOCBIGLPOKCJ-UHFFFAOYSA-N -1 3 451.935 5.597 40 0 JKABHM CCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000014270283 555761843 /nfs/dbraw/zinc/76/18/43/555761843.db2.gz BQQASVULOAXTCI-UHFFFAOYSA-N -1 3 461.543 5.343 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)ccc3[O-])oc2c1 ZINC000014270254 555761903 /nfs/dbraw/zinc/76/19/03/555761903.db2.gz MBURZHFJDNHSID-UHFFFAOYSA-N -1 3 461.543 5.423 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3[O-])oc2c(C)c1 ZINC000014270287 555761928 /nfs/dbraw/zinc/76/19/28/555761928.db2.gz CEYWVPDXZVTTJV-UHFFFAOYSA-N -1 3 459.571 6.067 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3[O-])oc2c(C)c1 ZINC000014270276 555761958 /nfs/dbraw/zinc/76/19/58/555761958.db2.gz WLQIIDODQCBCRI-UHFFFAOYSA-N -1 3 451.935 5.597 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)ccc3[O-])oc2c1 ZINC000014270269 555761965 /nfs/dbraw/zinc/76/19/65/555761965.db2.gz VHRCDRPCRHLKCG-VZUCSPMQSA-N -1 3 463.946 5.689 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)ccc3[O-])oc2c1 ZINC000014270237 555762015 /nfs/dbraw/zinc/76/20/15/555762015.db2.gz MPTRZYNNSICXHA-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(Cl)ccc4o3)c2)cc1Cl ZINC000014270314 555762332 /nfs/dbraw/zinc/76/23/32/555762332.db2.gz ZVHJTZUNQCAPLE-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM COc1c(F)c(F)c(C(=O)[N-]c2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c(F)c1F ZINC000014272215 555769053 /nfs/dbraw/zinc/76/90/53/555769053.db2.gz PEHXYDFIRQSXGC-UHFFFAOYSA-N -1 3 464.802 6.274 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000020317191 555770171 /nfs/dbraw/zinc/77/01/71/555770171.db2.gz XWVURXHGEGAOMH-UFWORHAWSA-N -1 3 478.614 5.836 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000020330135 555775490 /nfs/dbraw/zinc/77/54/90/555775490.db2.gz JJASVAWNIXZKAL-HSZRJFAPSA-N -1 3 488.993 5.336 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000020329583 555775510 /nfs/dbraw/zinc/77/55/10/555775510.db2.gz LCHMBJRLMWIRHJ-VWLOTQADSA-N -1 3 482.602 5.299 40 0 JKABHM Cc1cc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000014275112 555779414 /nfs/dbraw/zinc/77/94/14/555779414.db2.gz PIFRJCFXSDDYGZ-VQHVLOKHSA-N -1 3 498.391 6.342 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000014275111 555779421 /nfs/dbraw/zinc/77/94/21/555779421.db2.gz JSLNVUOVPLVTGZ-UHFFFAOYSA-N -1 3 479.561 6.303 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000014275099 555779436 /nfs/dbraw/zinc/77/94/36/555779436.db2.gz ALHQWMFTSGSVJL-UHFFFAOYSA-N -1 3 491.638 6.139 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)ccc3[O-])oc2c(C)c1 ZINC000014275153 555779695 /nfs/dbraw/zinc/77/96/95/555779695.db2.gz BZHRARNJUBPYLL-UHFFFAOYSA-N -1 3 475.570 5.731 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4Br)ccc3[O-])nc2c1 ZINC000014275168 555779705 /nfs/dbraw/zinc/77/97/05/555779705.db2.gz LSVFYLIAIYHOFR-UHFFFAOYSA-N -1 3 496.386 5.652 40 0 JKABHM CCCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000014275177 555779741 /nfs/dbraw/zinc/77/97/41/555779741.db2.gz RUBJMXQLXLCSAS-UHFFFAOYSA-N -1 3 475.570 5.678 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)ccc3[O-])nc2c1 ZINC000014275174 555779834 /nfs/dbraw/zinc/77/98/34/555779834.db2.gz AFUQTHSHRAIKNR-UHFFFAOYSA-N -1 3 481.961 5.552 40 0 JKABHM CCc1ccc2oc(-c3ccc(Cl)c([N-]C(=O)c4c(F)c(F)c(OC)c(F)c4F)c3)nc2c1 ZINC000014277916 555787159 /nfs/dbraw/zinc/78/71/59/555787159.db2.gz FRTHGJMWYOPSNN-UHFFFAOYSA-N -1 3 478.829 6.528 40 0 JKABHM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000011666687 555797125 /nfs/dbraw/zinc/79/71/25/555797125.db2.gz HAJUGEUHVOQGPR-FKBYEOEOSA-N -1 3 484.499 5.478 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000014396722 555802541 /nfs/dbraw/zinc/80/25/41/555802541.db2.gz IXJBRESNOLHYTP-UHFFFAOYSA-N -1 3 479.602 5.129 40 0 JKABHM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000014397407 555803349 /nfs/dbraw/zinc/80/33/49/555803349.db2.gz UKMAPLWWXUINHH-UHFFFAOYSA-N -1 3 452.576 5.210 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014398202 555803884 /nfs/dbraw/zinc/80/38/84/555803884.db2.gz NHGVKJZSMCJQJK-UHFFFAOYSA-N -1 3 491.824 5.328 40 0 JKABHM O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000014399182 555804798 /nfs/dbraw/zinc/80/47/98/555804798.db2.gz MURNBLDBVLULKE-UHFFFAOYSA-N -1 3 479.385 5.592 40 0 JKABHM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000014400219 555805592 /nfs/dbraw/zinc/80/55/92/555805592.db2.gz JCZADNZOFXNMBB-UHFFFAOYSA-N -1 3 452.576 5.210 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)c(C)c1 ZINC000014401195 555806555 /nfs/dbraw/zinc/80/65/55/555806555.db2.gz ZFVQTIKUNVTLDL-UHFFFAOYSA-N -1 3 463.603 5.347 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1C ZINC000014665135 555837190 /nfs/dbraw/zinc/83/71/90/555837190.db2.gz GXDANMFKQOAUGQ-FQEVSTJZSA-N -1 3 480.630 5.808 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1C ZINC000014666278 555837487 /nfs/dbraw/zinc/83/74/87/555837487.db2.gz OEPIOTLCFXAQDM-UHFFFAOYSA-N -1 3 466.603 5.419 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 ZINC000014833504 555840642 /nfs/dbraw/zinc/84/06/42/555840642.db2.gz KBYPQSDWVQORFL-FZSIALSZSA-N -1 3 456.951 5.191 40 0 JKABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000015320573 555897922 /nfs/dbraw/zinc/89/79/22/555897922.db2.gz CLMOVBXGSYWPNR-TZBSWOFLSA-N -1 3 483.351 5.443 40 0 JKABHM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3c([O-])ccc4ccccc43)o2)cc1Cl ZINC000022571581 555937397 /nfs/dbraw/zinc/93/73/97/555937397.db2.gz KKSHTXOLLVPWDW-JLHYYAGUSA-N -1 3 462.958 6.294 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022708000 555944473 /nfs/dbraw/zinc/94/44/73/555944473.db2.gz VZKRREVWUHVQCA-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM CC[C@@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3[O-])nc2c1 ZINC000022709646 555945337 /nfs/dbraw/zinc/94/53/37/555945337.db2.gz RMLLXTTWZBYZIU-QGZVFWFLSA-N -1 3 473.598 6.458 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022712020 555946015 /nfs/dbraw/zinc/94/60/15/555946015.db2.gz VKSFYRHOTLEXML-UHFFFAOYSA-N -1 3 475.639 6.402 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1)Nc1cccc(Cl)c1 ZINC000012496748 555990499 /nfs/dbraw/zinc/99/04/99/555990499.db2.gz LKAXXWZBRWZVCG-UHFFFAOYSA-N -1 3 464.978 5.278 40 0 JKABHM Cc1cc2sc(NC(=S)[N-]C(=O)COc3ccc(Cl)cc3Cl)nc2cc1Cl ZINC000016284253 556132719 /nfs/dbraw/zinc/13/27/19/556132719.db2.gz XZNGEUUREIFDAN-UHFFFAOYSA-N -1 3 460.795 5.457 40 0 JKABHM Cc1cc2sc(NC(=S)[N-]C(=O)COc3ccc(C4CCCCC4)cc3)nc2cc1Cl ZINC000016284247 556132733 /nfs/dbraw/zinc/13/27/33/556132733.db2.gz DZLWBTIQFJRLRR-UHFFFAOYSA-N -1 3 474.051 6.198 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)cc1 ZINC000016293394 556134240 /nfs/dbraw/zinc/13/42/40/556134240.db2.gz LXKCBZJJMFSHDZ-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000016293386 556134300 /nfs/dbraw/zinc/13/43/00/556134300.db2.gz HSHRECVTOMBMSE-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000016293461 556134312 /nfs/dbraw/zinc/13/43/12/556134312.db2.gz GCLYLWYXRSMRCY-UHFFFAOYSA-N -1 3 488.565 5.606 40 0 JKABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018007946 556275638 /nfs/dbraw/zinc/27/56/38/556275638.db2.gz XQOMMHZCPXMMNP-VJBWXMMDSA-N -1 3 499.350 5.062 40 0 JKABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc(-c4ccccc4)c3)C([O-])=C2ON1c1ccccc1 ZINC000018144561 556293922 /nfs/dbraw/zinc/29/39/22/556293922.db2.gz XTKLUZXLKMVELW-PKTNWEFCSA-N -1 3 460.533 5.713 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1Cl ZINC000018206372 556309745 /nfs/dbraw/zinc/30/97/45/556309745.db2.gz ONSLCKWIYPZTSG-VSKRKVRLSA-N -1 3 453.325 5.353 40 0 JKABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc2N1C(=O)c1ccccc1 ZINC000028206950 556317695 /nfs/dbraw/zinc/31/76/95/556317695.db2.gz UOCBORADWFVXSY-CQSZACIVSA-N -1 3 461.370 5.386 40 0 JKABHM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000030754959 556372782 /nfs/dbraw/zinc/37/27/82/556372782.db2.gz PKKAUOZPYMCAAJ-LJQANCHMSA-N -1 3 452.576 5.073 40 0 JKABHM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000030756715 556373268 /nfs/dbraw/zinc/37/32/68/556373268.db2.gz MPGSNTWEIOFERE-JOCHJYFZSA-N -1 3 489.062 6.267 40 0 JKABHM CCc1cccc(CC)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000030757117 556373467 /nfs/dbraw/zinc/37/34/67/556373467.db2.gz FRFRKUOKHFILPE-UHFFFAOYSA-N -1 3 456.995 5.826 40 0 JKABHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1C ZINC000030853951 556378975 /nfs/dbraw/zinc/37/89/75/556378975.db2.gz OXEDUSSMBGASOA-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1C ZINC000030853953 556379105 /nfs/dbraw/zinc/37/91/05/556379105.db2.gz OXEDUSSMBGASOA-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030854796 556379368 /nfs/dbraw/zinc/37/93/68/556379368.db2.gz YJWHSYJDPHLIRX-QFIPXVFZSA-N -1 3 456.539 5.039 40 0 JKABHM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030855762 556379803 /nfs/dbraw/zinc/37/98/03/556379803.db2.gz MDVXQYOSIDNVEF-UHFFFAOYSA-N -1 3 498.004 5.019 40 0 JKABHM CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(OC)cc1 ZINC000030856884 556380087 /nfs/dbraw/zinc/38/00/87/556380087.db2.gz NQNHSZCYFNQUOG-QFIPXVFZSA-N -1 3 472.994 5.339 40 0 JKABHM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(OC)cc1 ZINC000030856876 556380134 /nfs/dbraw/zinc/38/01/34/556380134.db2.gz NQNHSZCYFNQUOG-JOCHJYFZSA-N -1 3 472.994 5.339 40 0 JKABHM CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(OC)cc1 ZINC000030857431 556380577 /nfs/dbraw/zinc/38/05/77/556380577.db2.gz ABCZBAXWGRTJPD-OAQYLSRUSA-N -1 3 458.967 5.031 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2Cl)cc1 ZINC000030869341 556384437 /nfs/dbraw/zinc/38/44/37/556384437.db2.gz IHWVALBGKRNHTH-UHFFFAOYSA-N -1 3 456.995 6.133 40 0 JKABHM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000030869979 556384838 /nfs/dbraw/zinc/38/48/38/556384838.db2.gz KBLBUNHJTNBRPJ-QHCPKHFHSA-N -1 3 452.576 5.209 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000032100810 556416473 /nfs/dbraw/zinc/41/64/73/556416473.db2.gz DIVFFINKSWOGPY-AREMUKBSSA-N -1 3 488.550 5.811 40 0 JKABHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000032100824 556416483 /nfs/dbraw/zinc/41/64/83/556416483.db2.gz RPEZYVZMVAXAHP-ZMZPIMSZSA-N -1 3 453.288 5.180 40 0 JKABHM Cc1cc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114671 556421353 /nfs/dbraw/zinc/42/13/53/556421353.db2.gz MNTLGYZELFRLLG-UHFFFAOYSA-N -1 3 470.765 5.177 40 0 JKABHM Cc1cc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114671 556421357 /nfs/dbraw/zinc/42/13/57/556421357.db2.gz MNTLGYZELFRLLG-UHFFFAOYSA-N -1 3 470.765 5.177 40 0 JKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(Br)cc3)sc2c1 ZINC000032118639 556425718 /nfs/dbraw/zinc/42/57/18/556425718.db2.gz QQMFKROCBXYHNU-UHFFFAOYSA-N -1 3 478.437 5.293 40 0 JKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(C(C)(C)C)cc3)sc2c1 ZINC000032119029 556426034 /nfs/dbraw/zinc/42/60/34/556426034.db2.gz GGTAQECKRCBCIA-UHFFFAOYSA-N -1 3 455.649 5.828 40 0 JKABHM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000059483625 569604961 /nfs/dbraw/zinc/60/49/61/569604961.db2.gz DQKBBFCGYVIECC-CLJLJLNGSA-N -1 3 462.376 6.737 40 0 JKABHM O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000059483623 569605010 /nfs/dbraw/zinc/60/50/10/569605010.db2.gz DQKBBFCGYVIECC-FTJBHMTQSA-N -1 3 462.376 6.737 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000033378636 569625223 /nfs/dbraw/zinc/62/52/23/569625223.db2.gz ZQEALNZQWDUYPQ-UHFFFAOYSA-N -1 3 485.776 5.465 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)c1 ZINC000033414812 569626138 /nfs/dbraw/zinc/62/61/38/569626138.db2.gz OULFIAUKTVXSPL-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000033499694 569627114 /nfs/dbraw/zinc/62/71/14/569627114.db2.gz AFWBRYYUSWIEIR-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000033599546 569628496 /nfs/dbraw/zinc/62/84/96/569628496.db2.gz SNJRUJFUDUWCDA-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000033631946 569629225 /nfs/dbraw/zinc/62/92/25/569629225.db2.gz REMFPMKGNYNZPI-UHFFFAOYSA-N -1 3 466.603 5.247 40 0 JKABHM CCOC(=O)c1sc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C(=O)OCC)c1C ZINC000033654735 569629772 /nfs/dbraw/zinc/62/97/72/569629772.db2.gz MUQBKEDSQFXEKO-UHFFFAOYSA-N -1 3 486.398 6.184 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000033702450 569631074 /nfs/dbraw/zinc/63/10/74/569631074.db2.gz RMNXHVGDXYPTAC-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1Cl ZINC000033706479 569631166 /nfs/dbraw/zinc/63/11/66/569631166.db2.gz IPSYXVNSLRWTPY-UHFFFAOYSA-N -1 3 485.776 5.465 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1Cl ZINC000033853792 569636361 /nfs/dbraw/zinc/63/63/61/569636361.db2.gz RKJMZQWYPVRCEA-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1C ZINC000035079616 569674358 /nfs/dbraw/zinc/67/43/58/569674358.db2.gz ZIKMNWZSYXBMLN-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CCOc1cc([C@@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147360 569676017 /nfs/dbraw/zinc/67/60/17/569676017.db2.gz ZDASUXIZYPOEAI-RUZDIDTESA-N -1 3 459.933 5.893 40 0 JKABHM CCOc1cc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035147360 569676019 /nfs/dbraw/zinc/67/60/19/569676019.db2.gz ZDASUXIZYPOEAI-RUZDIDTESA-N -1 3 459.933 5.893 40 0 JKABHM O=C(Sc1nnc(SCc2cccc3ccccc32)[n-]1)c1ccc(Br)cc1 ZINC000070503677 569695322 /nfs/dbraw/zinc/69/53/22/569695322.db2.gz XKEPUYNBDQENMA-UHFFFAOYSA-N -1 3 456.390 5.945 40 0 JKABHM O=C(Sc1nc(SCc2cccc3ccccc32)n[n-]1)c1ccc(Br)cc1 ZINC000070503677 569695324 /nfs/dbraw/zinc/69/53/24/569695324.db2.gz XKEPUYNBDQENMA-UHFFFAOYSA-N -1 3 456.390 5.945 40 0 JKABHM O=C(Sc1n[n-]c(SCc2cccc3ccccc32)n1)c1ccc(Br)cc1 ZINC000070503677 569695326 /nfs/dbraw/zinc/69/53/26/569695326.db2.gz XKEPUYNBDQENMA-UHFFFAOYSA-N -1 3 456.390 5.945 40 0 JKABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000035828515 569712711 /nfs/dbraw/zinc/71/27/11/569712711.db2.gz JZQHUOCERVLIIQ-VSKRKVRLSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000096787039 569742996 /nfs/dbraw/zinc/74/29/96/569742996.db2.gz DRCQQQVMZQACSR-VSKRKVRLSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c(C)c1 ZINC000096791725 569743096 /nfs/dbraw/zinc/74/30/96/569743096.db2.gz JFEJDPZSSDQMOB-JRFVFWCSSA-N -1 3 491.385 5.425 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c(C)c1 ZINC000097955193 569747702 /nfs/dbraw/zinc/74/77/02/569747702.db2.gz XIPBWSMXBRJSGS-ZRBLBEILSA-N -1 3 467.352 5.661 40 0 JKABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100123879 569753289 /nfs/dbraw/zinc/75/32/89/569753289.db2.gz VAWKIFVVJANQRK-FSSWDIPSSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1C ZINC000100444536 569761253 /nfs/dbraw/zinc/76/12/53/569761253.db2.gz YVZAMDMWIOHGMH-UHFFFAOYSA-N -1 3 459.365 5.119 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1 ZINC000100558861 569764599 /nfs/dbraw/zinc/76/45/99/569764599.db2.gz VDJMILZIOPAUCW-QYZOEREBSA-N -1 3 478.879 5.471 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1Cl ZINC000100912586 569775353 /nfs/dbraw/zinc/77/53/53/569775353.db2.gz ONSLCKWIYPZTSG-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100949242 569777540 /nfs/dbraw/zinc/77/75/40/569777540.db2.gz JAKSDEKBLIRJKK-FSSWDIPSSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1cc(C)cc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c1 ZINC000101003448 569778912 /nfs/dbraw/zinc/77/89/12/569778912.db2.gz UEVQERKSIRJSAR-VJBWXMMDSA-N -1 3 477.358 5.117 40 0 JKABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101028398 569780019 /nfs/dbraw/zinc/78/00/19/569780019.db2.gz COLRNCLXYGUNNM-FKBYEOEOSA-N -1 3 469.324 5.053 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3[C@]2(CC)CCC(CC)=CO2)cc1 ZINC000101031211 569780143 /nfs/dbraw/zinc/78/01/43/569780143.db2.gz QJZAAVNLNNRBFQ-NVGWLYTESA-N -1 3 490.600 5.407 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000101059596 569780627 /nfs/dbraw/zinc/78/06/27/569780627.db2.gz TUEBVZMUJOZKPU-VSKRKVRLSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000101081964 569781831 /nfs/dbraw/zinc/78/18/31/569781831.db2.gz DARZNMVGTHKPQI-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM CCOc1cc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101149656 569784541 /nfs/dbraw/zinc/78/45/41/569784541.db2.gz LBUYNAOGDHTSOT-GIWBLDEGSA-N -1 3 499.350 5.149 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000101146209 569784575 /nfs/dbraw/zinc/78/45/75/569784575.db2.gz KPTSLMXGOYHPKY-FCEKVYKBSA-N -1 3 476.532 5.317 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1C ZINC000101160633 569785090 /nfs/dbraw/zinc/78/50/90/569785090.db2.gz WQTMRVXPDUQCJJ-VABKMULXSA-N -1 3 467.352 5.661 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000101163352 569785256 /nfs/dbraw/zinc/78/52/56/569785256.db2.gz PQWOEEQMSCRUAP-NHKHRBQYSA-N -1 3 490.559 5.625 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101187495 569786428 /nfs/dbraw/zinc/78/64/28/569786428.db2.gz ZQKZWPWZSLAQMV-ZNZIZOMTSA-N -1 3 466.562 5.613 40 0 JKABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000101200686 569786918 /nfs/dbraw/zinc/78/69/18/569786918.db2.gz CPVCJMVMLUVMEX-VABKMULXSA-N -1 3 498.457 5.035 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2C)cc1 ZINC000101214998 569787358 /nfs/dbraw/zinc/78/73/58/569787358.db2.gz YLBGUIGLMBCHGJ-GSDHBNRESA-N -1 3 456.542 5.143 40 0 JKABHM Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc(-c4ccccc4)c3)C([O-])=C2ON1c1ccccc1 ZINC000101250783 569788084 /nfs/dbraw/zinc/78/80/84/569788084.db2.gz XTKLUZXLKMVELW-KCHLEUMXSA-N -1 3 460.533 5.713 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038173751 569799903 /nfs/dbraw/zinc/79/99/03/569799903.db2.gz LSZOEHTYCUORNE-UHFFFAOYSA-N -1 3 499.423 6.294 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038173645 569799987 /nfs/dbraw/zinc/79/99/87/569799987.db2.gz ZEXURUASAMSHQD-UHFFFAOYSA-N -1 3 499.423 6.294 40 0 JKABHM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000038753247 569806605 /nfs/dbraw/zinc/80/66/05/569806605.db2.gz QIAMOGDWMOBANR-QFIPXVFZSA-N -1 3 491.034 5.659 40 0 JKABHM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000038754100 569806648 /nfs/dbraw/zinc/80/66/48/569806648.db2.gz UMBKRXVGCAUSLU-QFIPXVFZSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000038755185 569806981 /nfs/dbraw/zinc/80/69/81/569806981.db2.gz IWLUYMJEPWSCKF-IBGZPJMESA-N -1 3 452.576 5.325 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000039757608 569811464 /nfs/dbraw/zinc/81/14/64/569811464.db2.gz BNXFIGXDERRLSE-UHFFFAOYSA-N -1 3 495.620 5.094 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000102717970 569817157 /nfs/dbraw/zinc/81/71/57/569817157.db2.gz GOKQVEOIHKKPNE-HKBOAZHASA-N -1 3 483.749 5.154 40 0 JKABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102723722 569817479 /nfs/dbraw/zinc/81/74/79/569817479.db2.gz COLRNCLXYGUNNM-BHIFYINESA-N -1 3 469.324 5.053 40 0 JKABHM CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102728898 569817888 /nfs/dbraw/zinc/81/78/88/569817888.db2.gz RSYSVVPXMQQROL-XPWALMASSA-N -1 3 467.352 5.607 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102728031 569817994 /nfs/dbraw/zinc/81/79/94/569817994.db2.gz UQKHXXIFTXJVDW-FDFHNCONSA-N -1 3 453.325 5.353 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102733078 569818421 /nfs/dbraw/zinc/81/84/21/569818421.db2.gz MBCNFBVUAFGFST-VABKMULXSA-N -1 3 473.891 5.078 40 0 JKABHM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102750252 569820936 /nfs/dbraw/zinc/82/09/36/569820936.db2.gz TUOGVVHZFULDKU-XUFNMVPLSA-N -1 3 471.395 5.344 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102757256 569821589 /nfs/dbraw/zinc/82/15/89/569821589.db2.gz LQZRBGXDTNKSHL-VJBWXMMDSA-N -1 3 490.346 5.593 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102759992 569821701 /nfs/dbraw/zinc/82/17/01/569821701.db2.gz ZQKZWPWZSLAQMV-UODIDJSMSA-N -1 3 466.562 5.613 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc(C(F)(F)F)c1 ZINC000102763172 569822451 /nfs/dbraw/zinc/82/24/51/569822451.db2.gz VMZODESNPGWALM-NJYVYQBISA-N -1 3 472.850 5.410 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000102766912 569822997 /nfs/dbraw/zinc/82/29/97/569822997.db2.gz XFWGDLZHPZWKHE-SDHOMARFSA-N -1 3 456.448 5.169 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000102766908 569823118 /nfs/dbraw/zinc/82/31/18/569823118.db2.gz XFWGDLZHPZWKHE-GVAUOCQISA-N -1 3 456.448 5.169 40 0 JKABHM Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C([O-])=C2ON1c1ccccc1 ZINC000102767814 569823183 /nfs/dbraw/zinc/82/31/83/569823183.db2.gz JKWILGWXNXPJPA-BHIFYINESA-N -1 3 452.432 5.065 40 0 JKABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 ZINC000040400430 569827520 /nfs/dbraw/zinc/82/75/20/569827520.db2.gz MQVKPUOUIFAJNT-LJQANCHMSA-N -1 3 497.580 5.038 40 0 JKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000106716597 569855034 /nfs/dbraw/zinc/85/50/34/569855034.db2.gz XBYPPGCBSRJECH-PXNMLYILSA-N -1 3 458.750 5.988 40 0 JKABHM Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)o2)cc1C ZINC000106266583 569853918 /nfs/dbraw/zinc/85/39/18/569853918.db2.gz NHEZOZZJNHLPOZ-UHFFFAOYSA-N -1 3 499.617 6.673 40 0 JKABHM COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1[O-] ZINC000106724590 569855178 /nfs/dbraw/zinc/85/51/78/569855178.db2.gz UBJQDFUIKMHSNW-NVNXTCNLSA-N -1 3 454.729 5.053 40 0 JKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000106721397 569855067 /nfs/dbraw/zinc/85/50/67/569855067.db2.gz JMPRWEYUBSPREB-PXNMLYILSA-N -1 3 458.750 5.988 40 0 JKABHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1ccc(Br)cc1 ZINC000107407407 569856459 /nfs/dbraw/zinc/85/64/59/569856459.db2.gz MYYGIMQVOQPGNX-UHFFFAOYSA-N -1 3 459.081 5.031 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000107702887 569857123 /nfs/dbraw/zinc/85/71/23/569857123.db2.gz LCFGPQXCFVZRCK-UHFFFAOYSA-N -1 3 472.994 5.744 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 ZINC000108039027 569858422 /nfs/dbraw/zinc/85/84/22/569858422.db2.gz HESHANPFFKNTQW-UHFFFAOYSA-N -1 3 482.602 5.335 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1C ZINC000108079238 569858537 /nfs/dbraw/zinc/85/85/37/569858537.db2.gz NORQWXXDTOTXDA-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)c1 ZINC000108109328 569858647 /nfs/dbraw/zinc/85/86/47/569858647.db2.gz WMGIJQOKMKKPIF-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000108109920 569858677 /nfs/dbraw/zinc/85/86/77/569858677.db2.gz NFAYUHOLCVRZSR-UHFFFAOYSA-N -1 3 460.555 5.275 40 0 JKABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000108117134 569858692 /nfs/dbraw/zinc/85/86/92/569858692.db2.gz UCBAAWAZNTZREQ-UHFFFAOYSA-N -1 3 478.492 5.086 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1Cl ZINC000108263020 569859329 /nfs/dbraw/zinc/85/93/29/569859329.db2.gz KPNGJTDGIXHMHN-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C ZINC000108989461 569860215 /nfs/dbraw/zinc/86/02/15/569860215.db2.gz WBNSYNRXLAXSOZ-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000109072881 569860522 /nfs/dbraw/zinc/86/05/22/569860522.db2.gz HHEMMHCQRXOPTB-KRWDZBQOSA-N -1 3 475.035 5.877 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2Cl)cc1 ZINC000216262027 569878042 /nfs/dbraw/zinc/87/80/42/569878042.db2.gz ZGIPIIBMOVUACF-UHFFFAOYSA-N -1 3 450.947 5.855 40 0 JKABHM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000216292733 569878179 /nfs/dbraw/zinc/87/81/79/569878179.db2.gz LGNUECXPNUWRQW-RUZDIDTESA-N -1 3 474.582 5.745 40 0 JKABHM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000216292792 569878186 /nfs/dbraw/zinc/87/81/86/569878186.db2.gz LGNUECXPNUWRQW-VWLOTQADSA-N -1 3 474.582 5.745 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000216480713 569879066 /nfs/dbraw/zinc/87/90/66/569879066.db2.gz SSBIAOLLMIZZCZ-UHFFFAOYSA-N -1 3 483.804 5.686 40 0 JKABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000216496233 569879105 /nfs/dbraw/zinc/87/91/05/569879105.db2.gz LRYOKPQRPNPLIP-UHFFFAOYSA-N -1 3 451.331 5.410 40 0 JKABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000224221991 569937064 /nfs/dbraw/zinc/93/70/64/569937064.db2.gz GYOWFQMVJJNEOG-QFIPXVFZSA-N -1 3 460.393 5.142 40 0 JKABHM O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224409369 569943701 /nfs/dbraw/zinc/94/37/01/569943701.db2.gz LFPORGRNKJHOOT-UHFFFAOYSA-N -1 3 462.958 5.645 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000224596562 569949973 /nfs/dbraw/zinc/94/99/73/569949973.db2.gz OLAPJVDLRRFQPI-GOTSBHOMSA-N -1 3 481.408 6.062 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000224612662 569950725 /nfs/dbraw/zinc/95/07/25/569950725.db2.gz BIGJXPSBISREAN-GOTSBHOMSA-N -1 3 491.414 5.518 40 0 JKABHM CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224613597 569950791 /nfs/dbraw/zinc/95/07/91/569950791.db2.gz DZIRCTZOPFXCLL-DQEYMECFSA-N -1 3 456.571 5.154 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000224615870 569950858 /nfs/dbraw/zinc/95/08/58/569950858.db2.gz VJWJFKOFIBBADL-XZOQPEGZSA-N -1 3 480.014 6.362 40 0 JKABHM Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])ccc1Cl ZINC000224614833 569950862 /nfs/dbraw/zinc/95/08/62/569950862.db2.gz FNGQYTJNGZYFAV-BJKOFHAPSA-N -1 3 460.990 5.717 40 0 JKABHM CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224617163 569950931 /nfs/dbraw/zinc/95/09/31/569950931.db2.gz MNQOVGJQOHHNPZ-DQEYMECFSA-N -1 3 457.555 5.623 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000224616721 569950965 /nfs/dbraw/zinc/95/09/65/569950965.db2.gz CEQIXDRMXQISLB-XZOQPEGZSA-N -1 3 492.398 5.987 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000224618373 569951031 /nfs/dbraw/zinc/95/10/31/569951031.db2.gz ILLLVZRIXLHADV-DHIUTWEWSA-N -1 3 482.392 6.531 40 0 JKABHM Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1Cl ZINC000224620133 569951078 /nfs/dbraw/zinc/95/10/78/569951078.db2.gz CAJQFVNVASMCOG-DNQXCXABSA-N -1 3 461.974 6.186 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 ZINC000224859572 569960500 /nfs/dbraw/zinc/96/05/00/569960500.db2.gz FCZJMPSPEHDKGD-IAGOWNOFSA-N -1 3 466.813 5.442 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1cccnc1 ZINC000224861653 569960555 /nfs/dbraw/zinc/96/05/55/569960555.db2.gz PKGJXMZMAGPUFZ-DQEYMECFSA-N -1 3 490.032 5.479 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1Cc1ccco1 ZINC000224863279 569960643 /nfs/dbraw/zinc/96/06/43/569960643.db2.gz CRVBMPLYWLORDM-DNQXCXABSA-N -1 3 479.005 5.677 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1nccs1 ZINC000224862018 569960670 /nfs/dbraw/zinc/96/06/70/569960670.db2.gz GKRVIUKRPRHWJK-SFTDATJTSA-N -1 3 482.034 5.482 40 0 JKABHM Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])n1-c1cccnc1 ZINC000224864987 569960784 /nfs/dbraw/zinc/96/07/84/569960784.db2.gz FWSZFVHHXKACQD-GOTSBHOMSA-N -1 3 461.978 5.112 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000224865433 569960800 /nfs/dbraw/zinc/96/08/00/569960800.db2.gz MOTVIZLFCXWEKW-VXKWHMMOSA-N -1 3 450.951 5.061 40 0 JKABHM Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224866229 569960822 /nfs/dbraw/zinc/96/08/22/569960822.db2.gz IPYIFXFRARGDIV-BJKOFHAPSA-N -1 3 494.041 6.670 40 0 JKABHM Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224866192 569960853 /nfs/dbraw/zinc/96/08/53/569960853.db2.gz IPYIFXFRARGDIV-RPWUZVMVSA-N -1 3 494.041 6.670 40 0 JKABHM Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224876552 569961364 /nfs/dbraw/zinc/96/13/64/569961364.db2.gz YHUDZWYVEOOUGN-RPWUZVMVSA-N -1 3 460.990 5.717 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000224877015 569961380 /nfs/dbraw/zinc/96/13/80/569961380.db2.gz YEPNFMQNXPOASS-GOTSBHOMSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000224877342 569961391 /nfs/dbraw/zinc/96/13/91/569961391.db2.gz HLXDEYIVCFHSFW-DHIUTWEWSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000224877536 569961402 /nfs/dbraw/zinc/96/14/02/569961402.db2.gz JZGBDZNYRJNNSJ-DHIUTWEWSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F ZINC000224877145 569961416 /nfs/dbraw/zinc/96/14/16/569961416.db2.gz YEPNFMQNXPOASS-DHIUTWEWSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 ZINC000224877208 569961447 /nfs/dbraw/zinc/96/14/47/569961447.db2.gz HLXDEYIVCFHSFW-GOTSBHOMSA-N -1 3 464.953 5.548 40 0 JKABHM Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])ccc1Cl ZINC000224879632 569961538 /nfs/dbraw/zinc/96/15/38/569961538.db2.gz DCOUITGMDGRXKH-BJKOFHAPSA-N -1 3 495.435 6.370 40 0 JKABHM Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])ccc1Cl ZINC000224879599 569961554 /nfs/dbraw/zinc/96/15/54/569961554.db2.gz DCOUITGMDGRXKH-RPWUZVMVSA-N -1 3 495.435 6.370 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000224879980 569961598 /nfs/dbraw/zinc/96/15/98/569961598.db2.gz CYRWJXSENHBJGF-RRPNLBNLSA-N -1 3 497.023 6.562 40 0 JKABHM Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224882981 569961788 /nfs/dbraw/zinc/96/17/88/569961788.db2.gz RQNJUALVQUPYEK-ZEQRLZLVSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224883810 569961869 /nfs/dbraw/zinc/96/18/69/569961869.db2.gz UKNMCLWZPCSQEY-RPWUZVMVSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224886041 569961889 /nfs/dbraw/zinc/96/18/89/569961889.db2.gz CCNADLNGJALQDX-UIOOFZCWSA-N -1 3 489.044 6.334 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)cc1C ZINC000224973285 569966252 /nfs/dbraw/zinc/96/62/52/569966252.db2.gz DRZXOPCRASMHFQ-UHFFFAOYSA-N -1 3 470.594 5.952 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408596327 569966783 /nfs/dbraw/zinc/96/67/83/569966783.db2.gz UGHXZLCQDVBRKW-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM Cc1cc(C)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000408598286 569968040 /nfs/dbraw/zinc/96/80/40/569968040.db2.gz YTTBJDBWWILZSH-OAQYLSRUSA-N -1 3 491.440 5.447 40 0 JKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c(Cl)c1 ZINC000224997760 569968118 /nfs/dbraw/zinc/96/81/18/569968118.db2.gz FHPBGWHADPZVAD-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3OC(F)F)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408599431 569968209 /nfs/dbraw/zinc/96/82/09/569968209.db2.gz HEDXYDNNYZGEFD-UHFFFAOYSA-N -1 3 496.539 5.589 40 0 JKABHM CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4[O-])n3CC)ccc21 ZINC000408600121 569968397 /nfs/dbraw/zinc/96/83/97/569968397.db2.gz UWDMWELIJBUAHZ-UHFFFAOYSA-N -1 3 471.586 5.529 40 0 JKABHM CSc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408600657 569968702 /nfs/dbraw/zinc/96/87/02/569968702.db2.gz BTUHRLYWCSFOHP-LJQANCHMSA-N -1 3 495.453 5.244 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)ccc1NC(=O)c1ccccc1 ZINC000408602352 569969552 /nfs/dbraw/zinc/96/95/52/569969552.db2.gz DCVIRHWFRDXHJH-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408602593 569969565 /nfs/dbraw/zinc/96/95/65/569969565.db2.gz DWMYUOPDQUCBON-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408603339 569969934 /nfs/dbraw/zinc/96/99/34/569969934.db2.gz GLGKWTMVGSPMQC-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408606959 569971405 /nfs/dbraw/zinc/97/14/05/569971405.db2.gz PMRSGCKQLFLWOQ-UHFFFAOYSA-N -1 3 477.007 5.189 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000408619703 569977498 /nfs/dbraw/zinc/97/74/98/569977498.db2.gz IPFKDDJCTZYTAY-UHFFFAOYSA-N -1 3 490.547 6.410 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1NC(=O)c1ccccc1 ZINC000408621586 569978408 /nfs/dbraw/zinc/97/84/08/569978408.db2.gz LOZWCAXDGVFTDS-UHFFFAOYSA-N -1 3 472.566 5.627 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCCCC1 ZINC000408623036 569979096 /nfs/dbraw/zinc/97/90/96/569979096.db2.gz OPBVLTNURVHDCZ-UHFFFAOYSA-N -1 3 461.798 5.382 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cc2ccccc2o1 ZINC000408624484 569979665 /nfs/dbraw/zinc/97/96/65/569979665.db2.gz QKVUGDJWVJFXLU-UHFFFAOYSA-N -1 3 461.326 5.793 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408624512 569979716 /nfs/dbraw/zinc/97/97/16/569979716.db2.gz QOPHXRQHNUIBQC-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408627270 569981034 /nfs/dbraw/zinc/98/10/34/569981034.db2.gz YXWMTKVFGFGEGI-UHFFFAOYSA-N -1 3 468.884 5.720 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCCCC1 ZINC000408635693 569986104 /nfs/dbraw/zinc/98/61/04/569986104.db2.gz HILIDRARAAUUBJ-UHFFFAOYSA-N -1 3 460.905 5.094 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408637087 569987177 /nfs/dbraw/zinc/98/71/77/569987177.db2.gz XIVJRYXEUPPDBQ-UHFFFAOYSA-N -1 3 464.587 5.001 40 0 JKABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C(C)C ZINC000225345744 569991916 /nfs/dbraw/zinc/99/19/16/569991916.db2.gz CYWITVIAPMPHJQ-UHFFFAOYSA-N -1 3 453.648 6.396 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(C)c2)cc1C ZINC000408674564 570009233 /nfs/dbraw/zinc/00/92/33/570009233.db2.gz ALRRSLAMQNGPOK-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408674751 570009358 /nfs/dbraw/zinc/00/93/58/570009358.db2.gz CCFOVKDDQJZISO-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000408674939 570009714 /nfs/dbraw/zinc/00/97/14/570009714.db2.gz NDQUVRHBPIHDKR-UHFFFAOYSA-N -1 3 466.603 5.301 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c(C)c1 ZINC000408674920 570009756 /nfs/dbraw/zinc/00/97/56/570009756.db2.gz MLQDCKFTDISRIW-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000408674955 570009758 /nfs/dbraw/zinc/00/97/58/570009758.db2.gz NLMGTSKTBJTQNC-UHFFFAOYSA-N -1 3 470.616 5.152 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2C)cc1 ZINC000408674988 570009853 /nfs/dbraw/zinc/00/98/53/570009853.db2.gz OFOYZVKCBZWEJQ-UHFFFAOYSA-N -1 3 482.602 5.165 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(C)c2)cc1C ZINC000408675022 570009860 /nfs/dbraw/zinc/00/98/60/570009860.db2.gz PCVVSYLCHZHMSQ-UHFFFAOYSA-N -1 3 476.957 5.223 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c2)cc1 ZINC000408675081 570009958 /nfs/dbraw/zinc/00/99/58/570009958.db2.gz QWMOSLRJGGRCEM-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(C)c2)cc1 ZINC000408675086 570009964 /nfs/dbraw/zinc/00/99/64/570009964.db2.gz RAHGMTDWTAATRJ-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000408675104 570009974 /nfs/dbraw/zinc/00/99/74/570009974.db2.gz GKQMQMXYAURMRR-UHFFFAOYSA-N -1 3 464.518 5.106 40 0 JKABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c1 ZINC000408675284 570010110 /nfs/dbraw/zinc/01/01/10/570010110.db2.gz UUKVELKQJQJCDI-UHFFFAOYSA-N -1 3 452.576 5.047 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)c(C)c2)cc1 ZINC000408675423 570010256 /nfs/dbraw/zinc/01/02/56/570010256.db2.gz YLSYEBABYFXRGC-UHFFFAOYSA-N -1 3 490.581 5.365 40 0 JKABHM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408675612 570010476 /nfs/dbraw/zinc/01/04/76/570010476.db2.gz JPQCUWQPFDBNDU-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1C ZINC000408675975 570010495 /nfs/dbraw/zinc/01/04/95/570010495.db2.gz MJCOFDSXHCGTHS-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000408676470 570010598 /nfs/dbraw/zinc/01/05/98/570010598.db2.gz OHRQBPFIYRZCOT-UHFFFAOYSA-N -1 3 487.021 5.809 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCCCC1 ZINC000408676909 570010745 /nfs/dbraw/zinc/01/07/45/570010745.db2.gz OTVGBZZLIBWKRO-UHFFFAOYSA-N -1 3 465.015 5.057 40 0 JKABHM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408677265 570010851 /nfs/dbraw/zinc/01/08/51/570010851.db2.gz BVTQUAHRDOFOJO-HXUWFJFHSA-N -1 3 479.385 5.590 40 0 JKABHM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408678349 570011192 /nfs/dbraw/zinc/01/11/92/570011192.db2.gz FYUBOULMYUXSJX-NRFANRHFSA-N -1 3 493.412 5.899 40 0 JKABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c1C ZINC000408678701 570011380 /nfs/dbraw/zinc/01/13/80/570011380.db2.gz USMMBAZDNDYVPR-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408678585 570011392 /nfs/dbraw/zinc/01/13/92/570011392.db2.gz SWPRVYQFLUGFGB-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408678841 570011463 /nfs/dbraw/zinc/01/14/63/570011463.db2.gz ILYKLDSDGAJRDK-OAQYLSRUSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408679075 570011580 /nfs/dbraw/zinc/01/15/80/570011580.db2.gz ICJKKJKJVQXRDJ-OAQYLSRUSA-N -1 3 479.385 5.590 40 0 JKABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1Cl ZINC000408679216 570011596 /nfs/dbraw/zinc/01/15/96/570011596.db2.gz VKBYOZUKMBXOMN-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c1 ZINC000408680383 570012183 /nfs/dbraw/zinc/01/21/83/570012183.db2.gz RPOBSHJGVYKMLQ-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c1 ZINC000408680550 570012320 /nfs/dbraw/zinc/01/23/20/570012320.db2.gz ZZHAJLRNCSQLLO-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000408680636 570012351 /nfs/dbraw/zinc/01/23/51/570012351.db2.gz ONYJBZBVOHJKOC-JOCHJYFZSA-N -1 3 458.967 5.245 40 0 JKABHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408680871 570012431 /nfs/dbraw/zinc/01/24/31/570012431.db2.gz SBNGEYHANNTPIN-QFIPXVFZSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408680870 570012440 /nfs/dbraw/zinc/01/24/40/570012440.db2.gz SBNGEYHANNTPIN-JOCHJYFZSA-N -1 3 456.539 5.039 40 0 JKABHM COc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408684832 570013680 /nfs/dbraw/zinc/01/36/80/570013680.db2.gz OFCSJSVYQDBCFX-QHCPKHFHSA-N -1 3 491.392 5.609 40 0 JKABHM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000408693205 570015846 /nfs/dbraw/zinc/01/58/46/570015846.db2.gz LLDIGZFGQUXNHB-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408693163 570015933 /nfs/dbraw/zinc/01/59/33/570015933.db2.gz DKOKNZBPGFCPFA-UHFFFAOYSA-N -1 3 479.385 5.834 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693287 570016010 /nfs/dbraw/zinc/01/60/10/570016010.db2.gz MQKUARSTNYDRCV-UHFFFAOYSA-N -1 3 480.586 5.305 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCCCCC1 ZINC000408693506 570016154 /nfs/dbraw/zinc/01/61/54/570016154.db2.gz XYHFSCWFZAPZNH-UHFFFAOYSA-N -1 3 491.824 5.472 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C(=O)N1CCCC1 ZINC000408693552 570016191 /nfs/dbraw/zinc/01/61/91/570016191.db2.gz ZUHDKIVMTAKQOZ-UHFFFAOYSA-N -1 3 496.654 5.333 40 0 JKABHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408694955 570017458 /nfs/dbraw/zinc/01/74/58/570017458.db2.gz LIEVSHBRXFBWAX-IBGZPJMESA-N -1 3 497.375 5.729 40 0 JKABHM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000408695026 570017538 /nfs/dbraw/zinc/01/75/38/570017538.db2.gz NYCXKBOQZXGOBW-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c(C)c1 ZINC000408695437 570017783 /nfs/dbraw/zinc/01/77/83/570017783.db2.gz UVENWMJJCVSHIC-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000408695936 570018223 /nfs/dbraw/zinc/01/82/23/570018223.db2.gz VQZRNPIAOWOJTO-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000408695935 570018231 /nfs/dbraw/zinc/01/82/31/570018231.db2.gz VQZRNPIAOWOJTO-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408695993 570018345 /nfs/dbraw/zinc/01/83/45/570018345.db2.gz YFXCYEOSAVEBEB-HSZRJFAPSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c(C)c1 ZINC000225786515 570021604 /nfs/dbraw/zinc/02/16/04/570021604.db2.gz QRRBVWQLNWSPIO-UHFFFAOYSA-N -1 3 473.019 5.491 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc2n1Cc1ccc(Cl)cc1 ZINC000225787769 570021704 /nfs/dbraw/zinc/02/17/04/570021704.db2.gz ASENRHLMCQXREF-UHFFFAOYSA-N -1 3 499.828 5.872 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc2n1Cc1ccccc1Cl ZINC000225796951 570022080 /nfs/dbraw/zinc/02/20/80/570022080.db2.gz QRNKYEIVRKOHNG-UHFFFAOYSA-N -1 3 465.383 5.219 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1 ZINC000408703840 570023563 /nfs/dbraw/zinc/02/35/63/570023563.db2.gz ZDSDLEPFVUYLFV-UHFFFAOYSA-N -1 3 458.967 5.247 40 0 JKABHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408705289 570024616 /nfs/dbraw/zinc/02/46/16/570024616.db2.gz BLJRYTAXGNVHHT-CYBMUJFWSA-N -1 3 483.348 5.339 40 0 JKABHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc(C)c1Cl ZINC000408705472 570024648 /nfs/dbraw/zinc/02/46/48/570024648.db2.gz GQWNAJATFXAYJX-INIZCTEOSA-N -1 3 476.957 5.303 40 0 JKABHM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc(C)c1Cl ZINC000408706201 570025140 /nfs/dbraw/zinc/02/51/40/570025140.db2.gz XBVGETJEFCXUPH-INIZCTEOSA-N -1 3 493.412 5.817 40 0 JKABHM CC(C)Oc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c2ccccc12 ZINC000225923813 570027960 /nfs/dbraw/zinc/02/79/60/570027960.db2.gz XOGREHWZCGXYAY-UHFFFAOYSA-N -1 3 493.000 5.256 40 0 JKABHM Cc1sc2nc(-c3ccc(OCc4cccc5ccccc54)c(Br)c3)[n-]c(=O)c2c1C ZINC000408735278 570030176 /nfs/dbraw/zinc/03/01/76/570030176.db2.gz PMCWZGYMROMGMU-UHFFFAOYSA-N -1 3 491.410 7.175 40 0 JKABHM Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)c2)cs1 ZINC000226084733 570036827 /nfs/dbraw/zinc/03/68/27/570036827.db2.gz MDBWLWDHGUKZQQ-UHFFFAOYSA-N -1 3 493.610 5.245 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc(Br)c1[O-] ZINC000226243655 570037201 /nfs/dbraw/zinc/03/72/01/570037201.db2.gz KLEJVXFMRFHREB-UHFFFAOYSA-N -1 3 494.208 5.506 40 0 JKABHM CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc(Cl)c1[O-] ZINC000408812914 570049606 /nfs/dbraw/zinc/04/96/06/570049606.db2.gz PVBLLWQUEBAMBO-BGFDVPSISA-N -1 3 472.030 6.498 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000408908943 570071650 /nfs/dbraw/zinc/07/16/50/570071650.db2.gz ZEDYURHMNRWMNY-UHFFFAOYSA-N -1 3 492.597 6.171 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2Cl)cc1 ZINC000408920870 570077196 /nfs/dbraw/zinc/07/71/96/570077196.db2.gz QJBNZVJUXMYZFZ-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408922818 570077624 /nfs/dbraw/zinc/07/76/24/570077624.db2.gz SQMRZDAVGHZKOB-AWNIVKPZSA-N -1 3 465.333 5.585 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccc(Cl)cc3)cc2)cc1C ZINC000408924402 570078130 /nfs/dbraw/zinc/07/81/30/570078130.db2.gz IEJGNCYNQUPUND-UHFFFAOYSA-N -1 3 475.035 5.879 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cc(C)cc(C)c3)cc2)c(C)c1 ZINC000408925096 570078334 /nfs/dbraw/zinc/07/83/34/570078334.db2.gz JETUBTFAEIXMQU-UHFFFAOYSA-N -1 3 468.644 5.593 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cccc(Cl)c3)cc2)cc1C ZINC000408925247 570078353 /nfs/dbraw/zinc/07/83/53/570078353.db2.gz LJLTZAPEYNJFRX-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3C)cc2)c(C)c1 ZINC000408925870 570078427 /nfs/dbraw/zinc/07/84/27/570078427.db2.gz RJVWWEQFIDZMPW-UHFFFAOYSA-N -1 3 454.617 5.285 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3C)cc2)cc1C ZINC000408927683 570078852 /nfs/dbraw/zinc/07/88/52/570078852.db2.gz ZLDMWYAWGUQDDV-UHFFFAOYSA-N -1 3 454.617 5.285 40 0 JKABHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000408953120 570084432 /nfs/dbraw/zinc/08/44/32/570084432.db2.gz LNYCZFHBZIHZAX-SGTLLEGYSA-N -1 3 455.304 5.570 40 0 JKABHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000408958224 570085134 /nfs/dbraw/zinc/08/51/34/570085134.db2.gz XXYNVVBJUNNWFR-AREMUKBSSA-N -1 3 490.566 6.201 40 0 JKABHM O=C([N-]c1ncnc2oc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c21)c1ccco1 ZINC000408974878 570089426 /nfs/dbraw/zinc/08/94/26/570089426.db2.gz HVVOWLPWROVQLD-UHFFFAOYSA-N -1 3 457.489 7.069 40 0 JKABHM O=C1[N-][C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000408976057 570089815 /nfs/dbraw/zinc/08/98/15/570089815.db2.gz OXJBEMRIMHXTLF-NRFANRHFSA-N -1 3 480.014 6.355 40 0 JKABHM CCOc1cc([C@@H]2Nc3ccc4ccccc4c3[C@H]3CC(C)(C)CC(=O)[C@@H]23)cc(Br)c1[O-] ZINC000253564277 570103771 /nfs/dbraw/zinc/10/37/71/570103771.db2.gz GIGWQKKNWZZHDR-YWWLGCSWSA-N -1 3 494.429 6.962 40 0 JKABHM CCCC(=O)N[C@]1(C)C[C@H](c2cc(OC)cc(Br)c2[O-])O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257245317 570121650 /nfs/dbraw/zinc/12/16/50/570121650.db2.gz IOYRGGLUIQJZNN-JNMDGONASA-N -1 3 454.405 5.105 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC2=C(C[C@@H](C(C)(C)C)CC2)[C@@]1([O-])C(F)(F)F ZINC000409085487 570123086 /nfs/dbraw/zinc/12/30/86/570123086.db2.gz DAMYSSOBDOJQCP-VXHCHZMVSA-N -1 3 481.342 5.672 40 0 JKABHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@]2([O-])C(F)(F)F)c1 ZINC000409096884 570126960 /nfs/dbraw/zinc/12/69/60/570126960.db2.gz FFGITMJJOZETCR-CEXJFXJFSA-N -1 3 454.533 5.409 40 0 JKABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCCN(Cc4ccccc4OCC(=O)[O-])[C@H]3C[C@@H]21 ZINC000257274379 570130874 /nfs/dbraw/zinc/13/08/74/570130874.db2.gz NKUDJAZDRDDGQB-WXAIXHMISA-N -1 3 471.981 5.085 40 0 JKABHM CCOC(=O)c1c([N-]C(=O)COc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409110170 570131865 /nfs/dbraw/zinc/13/18/65/570131865.db2.gz SWWIIYARXUPPPN-UHFFFAOYSA-N -1 3 475.928 6.461 40 0 JKABHM COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4ccc(OCC(=O)[O-])cc4)CC3)[C@H](C)O[C@H]21 ZINC000257281633 570133140 /nfs/dbraw/zinc/13/31/40/570133140.db2.gz OQEUUZHDFFMKKA-FPDDQMOCSA-N -1 3 495.616 5.078 40 0 JKABHM CC1(C)Oc2c(cccc2C(F)(F)F)[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)[O-])[C@@H]3C[C@H]21 ZINC000257310177 570141365 /nfs/dbraw/zinc/14/13/65/570141365.db2.gz UDZXZTBPYRSGDN-ZNTQHIFFSA-N -1 3 491.506 5.061 40 0 JKABHM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccc(Br)cc23)S1 ZINC000409142512 570145285 /nfs/dbraw/zinc/14/52/85/570145285.db2.gz KQQJLQQWMSGMNG-ZWSORDCHSA-N -1 3 482.186 6.083 40 0 JKABHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000257335224 570149208 /nfs/dbraw/zinc/14/92/08/570149208.db2.gz YJEPDIXCKZSDPY-QGZVFWFLSA-N -1 3 451.452 5.059 40 0 JKABHM CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(Cc4ccc(-c5ccc(C(=O)[O-])c(O)c5)o4)[C@@H]3C[C@@H]21 ZINC000257343974 570151492 /nfs/dbraw/zinc/15/14/92/570151492.db2.gz ZVEHVHCWVQPPFV-LHYMKVENSA-N -1 3 475.541 5.242 40 0 JKABHM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000409167484 570153792 /nfs/dbraw/zinc/15/37/92/570153792.db2.gz MOKALWLFYHQKPM-HNNXBMFYSA-N -1 3 495.453 6.222 40 0 JKABHM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000409169710 570154375 /nfs/dbraw/zinc/15/43/75/570154375.db2.gz YMSLMLFDSLFVQM-KGVSQERTSA-N -1 3 465.333 5.585 40 0 JKABHM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000409174064 570156110 /nfs/dbraw/zinc/15/61/10/570156110.db2.gz REZIMTNZAVYTJL-IBGZPJMESA-N -1 3 454.617 5.532 40 0 JKABHM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000409177720 570157698 /nfs/dbraw/zinc/15/76/98/570157698.db2.gz GPWYVYZNQNLVNF-UHFFFAOYSA-N -1 3 495.453 6.224 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000409178055 570157789 /nfs/dbraw/zinc/15/77/89/570157789.db2.gz INEGMGZRUHRGLV-LYBHJNIJSA-N -1 3 488.996 6.320 40 0 JKABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)[C@@]2([O-])C(F)(F)F ZINC000409181644 570159475 /nfs/dbraw/zinc/15/94/75/570159475.db2.gz FGPBTHAYZWSYAP-ZIYZLLSTSA-N -1 3 474.523 5.277 40 0 JKABHM CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Cl)c([O-])c(OC)c1 ZINC000261362565 570167729 /nfs/dbraw/zinc/16/77/29/570167729.db2.gz LFFBHDABPYOKGE-OAQYLSRUSA-O -1 3 474.006 5.149 40 0 JKABHM CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)cc(I)c1OCc1ccccc1 ZINC000409255545 570186839 /nfs/dbraw/zinc/18/68/39/570186839.db2.gz HVQWLBUVGPTBIH-UHFFFAOYSA-N -1 3 498.320 5.585 40 0 JKABHM COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1OCc1c(F)cccc1Cl ZINC000409261428 570187673 /nfs/dbraw/zinc/18/76/73/570187673.db2.gz BRLCOHQOLFYFFH-UHFFFAOYSA-N -1 3 470.953 6.323 40 0 JKABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)cc(Br)c1OC(=O)c1cccs1 ZINC000409261688 570187694 /nfs/dbraw/zinc/18/76/94/570187694.db2.gz CTPAVPDCKMOWCX-UHFFFAOYSA-N -1 3 457.305 5.054 40 0 JKABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1Oc1nc(Cl)ncc1F ZINC000409262443 570187744 /nfs/dbraw/zinc/18/77/44/570187744.db2.gz DQPFYGUPTLRZMT-UHFFFAOYSA-N -1 3 458.902 5.326 40 0 JKABHM O=C(CSCc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408543570 570192143 /nfs/dbraw/zinc/19/21/43/570192143.db2.gz FMAHYNVYUNBXSO-UHFFFAOYSA-N -1 3 482.961 5.291 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408543773 570192250 /nfs/dbraw/zinc/19/22/50/570192250.db2.gz QCTSXDHKFTZDDR-UHFFFAOYSA-N -1 3 499.423 6.294 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(F)F)cc3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408545555 570192932 /nfs/dbraw/zinc/19/29/32/570192932.db2.gz UUGAOXJZNUOTIZ-UHFFFAOYSA-N -1 3 480.540 5.925 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408551058 570195109 /nfs/dbraw/zinc/19/51/09/570195109.db2.gz JGGUZIOTWVVXAG-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408551254 570195121 /nfs/dbraw/zinc/19/51/21/570195121.db2.gz GYNTZOVUJWVYQH-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 ZINC000408551653 570195265 /nfs/dbraw/zinc/19/52/65/570195265.db2.gz LTARQPARDVPYKB-UHFFFAOYSA-N -1 3 456.539 5.012 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1C ZINC000408551918 570195389 /nfs/dbraw/zinc/19/53/89/570195389.db2.gz JRLAZQZWASHAIK-UHFFFAOYSA-N -1 3 466.603 5.554 40 0 JKABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000408553987 570196081 /nfs/dbraw/zinc/19/60/81/570196081.db2.gz XXMWUKDSYNLDKA-UHFFFAOYSA-N -1 3 472.994 5.527 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1ccccc1F ZINC000408554555 570196330 /nfs/dbraw/zinc/19/63/30/570196330.db2.gz BYTQIQDDPDOKCT-UHFFFAOYSA-N -1 3 462.930 5.239 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1 ZINC000408554579 570196349 /nfs/dbraw/zinc/19/63/49/570196349.db2.gz CJSGRBDWZMUDGW-UHFFFAOYSA-N -1 3 465.358 5.445 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccc(C)cc1 ZINC000408554554 570196367 /nfs/dbraw/zinc/19/63/67/570196367.db2.gz BYQNNIOOQUXPMO-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1Cl ZINC000408554882 570196568 /nfs/dbraw/zinc/19/65/68/570196568.db2.gz VESDOKZZJWMDBZ-UHFFFAOYSA-N -1 3 488.993 5.092 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1NC(=O)c1ccccc1C ZINC000408555779 570197049 /nfs/dbraw/zinc/19/70/49/570197049.db2.gz GGQBNVQJYMLWJZ-UHFFFAOYSA-N -1 3 499.803 6.017 40 0 JKABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408555944 570197064 /nfs/dbraw/zinc/19/70/64/570197064.db2.gz XYDRHZFKHNWMSL-UHFFFAOYSA-N -1 3 478.492 5.141 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1NC(=O)c1ccccc1F ZINC000408556305 570197315 /nfs/dbraw/zinc/19/73/15/570197315.db2.gz HNVDFXJWHUSJDM-UHFFFAOYSA-N -1 3 470.566 5.402 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408557092 570197972 /nfs/dbraw/zinc/19/79/72/570197972.db2.gz KXQLPFXNMLDPHJ-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)NC1CCCCC1 ZINC000408557509 570198354 /nfs/dbraw/zinc/19/83/54/570198354.db2.gz NFIAMJBTGPFRSU-UHFFFAOYSA-N -1 3 474.932 5.531 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408557537 570198359 /nfs/dbraw/zinc/19/83/59/570198359.db2.gz NKKFKYCRMKOMHN-UHFFFAOYSA-N -1 3 479.385 5.672 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1NC(=O)c1ccc(C)cc1 ZINC000408558889 570199323 /nfs/dbraw/zinc/19/93/23/570199323.db2.gz UIMIZMGGTHIZKJ-UHFFFAOYSA-N -1 3 499.803 6.017 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 ZINC000408559470 570199808 /nfs/dbraw/zinc/19/98/08/570199808.db2.gz XFXCBUIJRWMBRF-UHFFFAOYSA-N -1 3 452.576 5.399 40 0 JKABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408559783 570199980 /nfs/dbraw/zinc/19/99/80/570199980.db2.gz YWDCHRSJXSVKKW-UHFFFAOYSA-N -1 3 493.412 5.926 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408559724 570200021 /nfs/dbraw/zinc/20/00/21/570200021.db2.gz XYFOTMLGKWISNI-UHFFFAOYSA-N -1 3 479.385 5.672 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Oc3ccccc3)cc2)c1 ZINC000408561654 570201231 /nfs/dbraw/zinc/20/12/31/570201231.db2.gz UPKYGEUNWQRJLY-UHFFFAOYSA-N -1 3 488.565 5.606 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(=O)c1ccccc1 ZINC000408562099 570201507 /nfs/dbraw/zinc/20/15/07/570201507.db2.gz XTXUVIINVFFSHY-UHFFFAOYSA-N -1 3 493.354 5.040 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562150 570201631 /nfs/dbraw/zinc/20/16/31/570201631.db2.gz NIMIIAIEFLEWIM-UHFFFAOYSA-N -1 3 490.984 5.422 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408562283 570201649 /nfs/dbraw/zinc/20/16/49/570201649.db2.gz YRBRKGBBFCJPIL-UHFFFAOYSA-N -1 3 488.565 5.849 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408562270 570201656 /nfs/dbraw/zinc/20/16/56/570201656.db2.gz YPLSNEDQXGEHBG-UHFFFAOYSA-N -1 3 466.893 5.070 40 0 JKABHM COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408563175 570202099 /nfs/dbraw/zinc/20/20/99/570202099.db2.gz JXFWCDKEDWUKJI-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408563150 570202102 /nfs/dbraw/zinc/20/21/02/570202102.db2.gz UFDAPKLBVHQVKW-UHFFFAOYSA-N -1 3 450.775 5.321 40 0 JKABHM O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000408573275 570205161 /nfs/dbraw/zinc/20/51/61/570205161.db2.gz NMLJPLDGAZAHKB-NTCAYCPXSA-N -1 3 497.601 6.455 40 0 JKABHM Cc1ccc2oc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)ccc3[O-])nc2c1 ZINC000408576985 570206043 /nfs/dbraw/zinc/20/60/43/570206043.db2.gz ZHJUWVNBLMVLSJ-GXDHUFHOSA-N -1 3 495.560 6.295 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)c1 ZINC000408584342 570207528 /nfs/dbraw/zinc/20/75/28/570207528.db2.gz OJTLPFPXHYHXIW-UHFFFAOYSA-N -1 3 486.593 5.080 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)c(Cl)c2)cc1 ZINC000408584524 570207617 /nfs/dbraw/zinc/20/76/17/570207617.db2.gz QUUOYIDALYSEIX-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408584970 570207860 /nfs/dbraw/zinc/20/78/60/570207860.db2.gz XGIPBNNXDIYSGA-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1Cl ZINC000408591392 570209225 /nfs/dbraw/zinc/20/92/25/570209225.db2.gz LXJHVDJSVQKYPS-UHFFFAOYSA-N -1 3 487.021 5.899 40 0 JKABHM Cc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592291 570209457 /nfs/dbraw/zinc/20/94/57/570209457.db2.gz JVMAVQNJBDLZAY-HXUWFJFHSA-N -1 3 497.831 5.484 40 0 JKABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)c1 ZINC000408592738 570209506 /nfs/dbraw/zinc/20/95/06/570209506.db2.gz LMWOXKQXYMODNA-UHFFFAOYSA-N -1 3 477.007 5.189 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Cl ZINC000408593247 570209724 /nfs/dbraw/zinc/20/97/24/570209724.db2.gz PUICMWSXWDACBH-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c2)cc1 ZINC000408593403 570209754 /nfs/dbraw/zinc/20/97/54/570209754.db2.gz NNARTLCTKXGSQU-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000020765731 195220986 /nfs/dbraw/zinc/22/09/86/195220986.db2.gz GVXGZYODIMSZSI-UHFFFAOYSA-N -1 3 484.577 5.873 40 0 JKABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767152 195222505 /nfs/dbraw/zinc/22/25/05/195222505.db2.gz YSCFQKADYUFUTD-UHFFFAOYSA-N -1 3 469.006 5.857 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767232 195222777 /nfs/dbraw/zinc/22/27/77/195222777.db2.gz WOOXLNXMMDQETD-UHFFFAOYSA-N -1 3 470.978 5.133 40 0 JKABHM O=C(c1ccccc1[O-])N1[C@H](c2ccccc2)Oc2c(ccc3cccnc32)[C@@H]1c1ccccc1 ZINC000059382530 195398335 /nfs/dbraw/zinc/39/83/35/195398335.db2.gz VUMPVVNIYMXIOY-FIBWVYCGSA-N -1 3 458.517 6.263 40 0 JKABHM O=C1[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)S1 ZINC000059418015 195399941 /nfs/dbraw/zinc/39/99/41/195399941.db2.gz VIMMYZLTRFUWRX-VGOFMYFVSA-N -1 3 487.144 5.254 40 0 JKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1ccccc1F ZINC000016688730 520722374 /nfs/dbraw/zinc/72/23/74/520722374.db2.gz RNIPNORGQKQIBP-UHFFFAOYSA-N -1 3 488.353 5.554 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)cc3)cc2)cc1 ZINC000022518410 521132522 /nfs/dbraw/zinc/13/25/22/521132522.db2.gz HJZXZHJJTPDIND-QGZVFWFLSA-N -1 3 486.615 5.014 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cc(C)ccc3C)cc2)cc1 ZINC000020460479 521133390 /nfs/dbraw/zinc/13/33/90/521133390.db2.gz NRYJUXLVEBNUJN-XMMPIXPASA-N -1 3 482.602 5.299 40 0 JKABHM CCCCc1ccc(-n2nc3cc(Cl)c([N-]C(=O)c4ccc(Br)o4)cc3n2)cc1 ZINC000022709859 521267445 /nfs/dbraw/zinc/26/74/45/521267445.db2.gz SLSIGGLLBSGKBS-UHFFFAOYSA-N -1 3 473.758 6.024 40 0 JKABHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1ccccc1F ZINC000016195866 522463809 /nfs/dbraw/zinc/46/38/09/522463809.db2.gz JCJKWAUPMIUWHV-UHFFFAOYSA-N -1 3 474.326 5.164 40 0 JKABHM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000022510674 522871905 /nfs/dbraw/zinc/87/19/05/522871905.db2.gz OKNPPPPWWISYDU-DEOSSOPVSA-N -1 3 452.576 5.209 40 0 JKABHM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000044899695 522877714 /nfs/dbraw/zinc/87/77/14/522877714.db2.gz WIPPDRORFYOTGC-SANMLTNESA-N -1 3 474.582 5.745 40 0 JKABHM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000044849948 522884292 /nfs/dbraw/zinc/88/42/92/522884292.db2.gz MFILTLXKGQQELE-NRFANRHFSA-N -1 3 462.930 5.076 40 0 JKABHM CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000044947242 522890152 /nfs/dbraw/zinc/89/01/52/522890152.db2.gz TVJYNMBPZKHSLU-VWLOTQADSA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020462534 523038727 /nfs/dbraw/zinc/03/87/27/523038727.db2.gz CISGDGWCHRKREX-XMMPIXPASA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020488686 523039647 /nfs/dbraw/zinc/03/96/47/523039647.db2.gz BPJUQSDTQDCEKH-HSZRJFAPSA-N -1 3 456.539 5.039 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020459901 523048055 /nfs/dbraw/zinc/04/80/55/523048055.db2.gz IYUJFTUSIWGIOK-OAQYLSRUSA-N -1 3 493.412 5.899 40 0 JKABHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020462613 523061007 /nfs/dbraw/zinc/06/10/07/523061007.db2.gz LGCKSTMRORWECK-HXUWFJFHSA-N -1 3 479.385 5.590 40 0 JKABHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000020460537 523061453 /nfs/dbraw/zinc/06/14/53/523061453.db2.gz DRCBCDBJLFAWEE-HXUWFJFHSA-N -1 3 462.930 5.076 40 0 JKABHM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000044903615 523082497 /nfs/dbraw/zinc/08/24/97/523082497.db2.gz HQNNSWMRKSVWKN-OAQYLSRUSA-N -1 3 495.453 6.304 40 0 JKABHM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000044842836 524251787 /nfs/dbraw/zinc/25/17/87/524251787.db2.gz OPTJYXXIQMEWST-GOSISDBHSA-N -1 3 472.994 5.472 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000044903420 524303484 /nfs/dbraw/zinc/30/34/84/524303484.db2.gz QRCCYWUXUBSYSF-FQEVSTJZSA-N -1 3 466.603 5.634 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536929 524438335 /nfs/dbraw/zinc/43/83/35/524438335.db2.gz OYBPWFKTQJGJSS-QFIPXVFZSA-N -1 3 480.630 5.286 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c(C)c1 ZINC000013776940 524929158 /nfs/dbraw/zinc/92/91/58/524929158.db2.gz HBQJJBSTVTVRNC-VABKMULXSA-N -1 3 477.358 5.117 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1N1CCCC1=O ZINC000044844757 525079389 /nfs/dbraw/zinc/07/93/89/525079389.db2.gz NXBATRXPPJBZPK-UHFFFAOYSA-N -1 3 482.627 5.224 40 0 JKABHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000044846321 525108491 /nfs/dbraw/zinc/10/84/91/525108491.db2.gz KLQIFTRAQMQGQK-SFHVURJKSA-N -1 3 470.616 5.232 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022745887 525262054 /nfs/dbraw/zinc/26/20/54/525262054.db2.gz HORNKNOIMQDVHM-UHFFFAOYSA-N -1 3 487.968 6.442 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)cc2)c(C)c1 ZINC000044947194 525300930 /nfs/dbraw/zinc/30/09/30/525300930.db2.gz QPYTVBLTJVQPOY-OAQYLSRUSA-N -1 3 466.603 5.436 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1C ZINC000044885395 525301602 /nfs/dbraw/zinc/30/16/02/525301602.db2.gz NIGQOYBVXMOBCZ-HXUWFJFHSA-N -1 3 466.603 5.634 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000044901885 525599709 /nfs/dbraw/zinc/59/97/09/525599709.db2.gz DAHCTOAUVFRHHL-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3F)cc2Cl)cc1 ZINC000020450128 525601373 /nfs/dbraw/zinc/60/13/73/525601373.db2.gz HBQKTTSXIUBHOI-UHFFFAOYSA-N -1 3 493.025 5.252 40 0 JKABHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000044849621 525948105 /nfs/dbraw/zinc/94/81/05/525948105.db2.gz YMKZKVINHMAFQW-AWEZNQCLSA-N -1 3 465.358 5.200 40 0 JKABHM O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000020491551 527024329 /nfs/dbraw/zinc/02/43/29/527024329.db2.gz ZRIYIQXHFGMQRZ-UHFFFAOYSA-N -1 3 499.416 5.805 40 0 JKABHM O=C([N-]c1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000022708986 527099974 /nfs/dbraw/zinc/09/99/74/527099974.db2.gz OOOJBUONSMUXDJ-UHFFFAOYSA-N -1 3 473.184 6.749 40 0 JKABHM O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044946232 527108256 /nfs/dbraw/zinc/10/82/56/527108256.db2.gz SASSIUNJRYWIIJ-UHFFFAOYSA-N -1 3 490.195 6.353 40 0 JKABHM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044949143 527109503 /nfs/dbraw/zinc/10/95/03/527109503.db2.gz KGFOOOSXBYSJEA-UHFFFAOYSA-N -1 3 455.750 5.700 40 0 JKABHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022516602 527175339 /nfs/dbraw/zinc/17/53/39/527175339.db2.gz HJJBOJJBRRZMCN-UHFFFAOYSA-N -1 3 455.750 5.700 40 0 JKABHM O=C(Nc1cc(Cl)ccc1[O-])c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000865883 553805080 /nfs/dbraw/zinc/80/50/80/553805080.db2.gz CRZYYTCVZLFJIZ-ZWNOBZJWSA-N -1 3 477.295 5.870 40 0 JKABHM COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4[O-])c3N2)c1 ZINC000000884008 553820879 /nfs/dbraw/zinc/82/08/79/553820879.db2.gz LHVBCOLOBNBSBO-CRAIPNDOSA-N -1 3 466.847 5.163 40 0 JKABHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])n1Cc1ccco1)N1CCc2ccccc21 ZINC000000896847 553832823 /nfs/dbraw/zinc/83/28/23/553832823.db2.gz RVRYJXQDLIRGTE-UHFFFAOYSA-N -1 3 482.565 5.127 40 0 JKABHM COc1ccccc1-n1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1[O-] ZINC000000915893 553846191 /nfs/dbraw/zinc/84/61/91/553846191.db2.gz FRGFLXBXLGNEOK-UHFFFAOYSA-N -1 3 482.565 5.533 40 0 JKABHM CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000001223719 553935096 /nfs/dbraw/zinc/93/50/96/553935096.db2.gz GJZCJDUBBKHQEJ-UHFFFAOYSA-N -1 3 472.614 5.495 40 0 JKABHM CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccc(C)cc2)cc1 ZINC000001223779 553935166 /nfs/dbraw/zinc/93/51/66/553935166.db2.gz DHSKOCSRQNSENL-UHFFFAOYSA-N -1 3 460.559 5.078 40 0 JKABHM CC[C@@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3[O-])nc2c1 ZINC000001848541 553995809 /nfs/dbraw/zinc/99/58/09/553995809.db2.gz QAWCOWVYUBWQRC-MRXNPFEDSA-N -1 3 473.598 6.458 40 0 JKABHM CC[C@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3[O-])nc2c1 ZINC000001848543 553995821 /nfs/dbraw/zinc/99/58/21/553995821.db2.gz QAWCOWVYUBWQRC-INIZCTEOSA-N -1 3 473.598 6.458 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1Cl ZINC000002338736 554155329 /nfs/dbraw/zinc/15/53/29/554155329.db2.gz UEOMMGWREDPZEA-VSKRKVRLSA-N -1 3 497.776 5.462 40 0 JKABHM CCCCCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c([O-])c(OCC)c1)Nc1ccccc1-2 ZINC000002745562 554323522 /nfs/dbraw/zinc/32/35/22/554323522.db2.gz QCCWVKAVMVDJAB-NRFANRHFSA-N -1 3 472.998 6.082 40 0 JKABHM CC(C)(C)c1ccc2c(c1)OCc1n[n-]c(n1)COc1cc(C(C)(C)C)ccc1OCCOCCO2 ZINC000005823169 554494771 /nfs/dbraw/zinc/49/47/71/554494771.db2.gz PDNKHMUOJIIFNM-UHFFFAOYSA-N -1 3 495.620 5.346 40 0 JKABHM CC(C)(C)c1ccc2c(c1)OCc1nnc([n-]1)COc1cc(C(C)(C)C)ccc1OCCOCCO2 ZINC000005823169 554494772 /nfs/dbraw/zinc/49/47/72/554494772.db2.gz PDNKHMUOJIIFNM-UHFFFAOYSA-N -1 3 495.620 5.346 40 0 JKABHM CC(C)(CN1CCCCC1)C(=O)C[C@H](SCCS(=O)(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000005854715 554494984 /nfs/dbraw/zinc/49/49/84/554494984.db2.gz CCUSHBCCOCSMDD-SFHVURJKSA-N -1 3 482.495 5.127 40 0 JKABHM CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000005946238 554497267 /nfs/dbraw/zinc/49/72/67/554497267.db2.gz XSHQXRPMLNOADJ-UHFFFAOYSA-N -1 3 475.570 5.815 40 0 JKABHM CCCOc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000005946742 554497723 /nfs/dbraw/zinc/49/77/23/554497723.db2.gz NVRYNYVXISPYNJ-UHFFFAOYSA-N -1 3 461.543 5.424 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1F)c1ccc(Cl)cc1 ZINC000008810068 554689159 /nfs/dbraw/zinc/68/91/59/554689159.db2.gz ROXHTKQWGNGBEX-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1F)c1ccc(Cl)cc1 ZINC000008810061 554689164 /nfs/dbraw/zinc/68/91/64/554689164.db2.gz SKFQQYWPSLQJGZ-UHFFFAOYSA-N -1 3 483.746 5.295 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1F)c1cccc(Cl)c1 ZINC000008810227 554689675 /nfs/dbraw/zinc/68/96/75/554689675.db2.gz LXXYIXOZAMFNDB-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1F)c1ccccc1Cl ZINC000008810386 554690254 /nfs/dbraw/zinc/69/02/54/554690254.db2.gz AEFNLUWZPBFWCD-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F)c1ccc(Cl)cc1Cl ZINC000008810530 554690704 /nfs/dbraw/zinc/69/07/04/554690704.db2.gz SQHDHEDYCVIFCS-UHFFFAOYSA-N -1 3 457.285 5.325 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1F)c1ccc(Cl)cc1Cl ZINC000008810533 554690744 /nfs/dbraw/zinc/69/07/44/554690744.db2.gz VVJJZTYJDUMXHA-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1F)c1ccccc1F ZINC000008810692 554691189 /nfs/dbraw/zinc/69/11/89/554691189.db2.gz MQEOVIFGOQMSKV-UHFFFAOYSA-N -1 3 490.837 5.690 40 0 JKABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1cccc(OCc2ccccc2)c1 ZINC000008832942 554729091 /nfs/dbraw/zinc/72/90/91/554729091.db2.gz DRPKSWUODBQMOC-UHFFFAOYSA-N -1 3 495.560 5.906 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)ccc3[O-])oc2c(C)c1 ZINC000008835182 554733491 /nfs/dbraw/zinc/73/34/91/554733491.db2.gz NVDVAAZEZJNVNJ-UHFFFAOYSA-N -1 3 486.380 6.251 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc(Br)c4)ccc3[O-])oc2c(C)c1 ZINC000008835184 554733512 /nfs/dbraw/zinc/73/35/12/554733512.db2.gz MBPHPIAZWGUCHP-UHFFFAOYSA-N -1 3 496.386 5.707 40 0 JKABHM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccc(C)cc3o2)c1 ZINC000008835175 554733553 /nfs/dbraw/zinc/73/35/53/554733553.db2.gz GHEIVXHUGRGMRQ-UHFFFAOYSA-N -1 3 483.549 5.797 40 0 JKABHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1OC ZINC000008835158 554733584 /nfs/dbraw/zinc/73/35/84/554733584.db2.gz CVAQSFRPVDOEFH-UHFFFAOYSA-N -1 3 479.583 5.121 40 0 JKABHM CCCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 ZINC000008835189 554733769 /nfs/dbraw/zinc/73/37/69/554733769.db2.gz DMAGUJIRFADKON-UHFFFAOYSA-N -1 3 475.570 5.733 40 0 JKABHM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c(C)cc2oc1-c1ccccc1 ZINC000008870335 554765182 /nfs/dbraw/zinc/76/51/82/554765182.db2.gz JBIPULNKVWUOND-UHFFFAOYSA-N -1 3 477.582 6.311 40 0 JKABHM COc1c(F)c(F)c(C(=O)[N-]c2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(F)c1F ZINC000008899179 554790042 /nfs/dbraw/zinc/79/00/42/554790042.db2.gz QMMKHOKIRAPWFF-UHFFFAOYSA-N -1 3 485.220 6.619 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1C ZINC000009063611 554881391 /nfs/dbraw/zinc/88/13/91/554881391.db2.gz BFSORGRGFIHMCN-UHFFFAOYSA-N -1 3 495.620 5.094 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)c(C)c1 ZINC000009063514 554881423 /nfs/dbraw/zinc/88/14/23/554881423.db2.gz KZIGGFFXZBUILO-UHFFFAOYSA-N -1 3 495.620 5.094 40 0 JKABHM O=C(NC(=S)Nc1c([O-])ccc2ccccc21)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000009064619 554882917 /nfs/dbraw/zinc/88/29/17/554882917.db2.gz MUFYWTVHXYZGBY-UHFFFAOYSA-N -1 3 457.338 6.239 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc5ccccc54)ccc3[O-])nc2c1 ZINC000009064922 554884376 /nfs/dbraw/zinc/88/43/76/554884376.db2.gz DQTCYUBSRAPNFZ-UHFFFAOYSA-N -1 3 467.550 6.043 40 0 JKABHM CCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)c1 ZINC000009064920 554884472 /nfs/dbraw/zinc/88/44/72/554884472.db2.gz RUNGUWNSCTWJKR-UHFFFAOYSA-N -1 3 461.543 5.288 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3[O-])oc2c(C)c1 ZINC000009064903 554884474 /nfs/dbraw/zinc/88/44/74/554884474.db2.gz XMBDAVNYGWYGCH-UHFFFAOYSA-N -1 3 451.935 5.597 40 0 JKABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000009192479 554965541 /nfs/dbraw/zinc/96/55/41/554965541.db2.gz PXSBOFFPANTTHJ-ZLNRFVROSA-N -1 3 467.352 5.607 40 0 JKABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000009192477 554965577 /nfs/dbraw/zinc/96/55/77/554965577.db2.gz PXSBOFFPANTTHJ-VJBWXMMDSA-N -1 3 467.352 5.607 40 0 JKABHM COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1[O-] ZINC000009233510 555006471 /nfs/dbraw/zinc/00/64/71/555006471.db2.gz JUQNINXAJNACGD-OVCLIPMQSA-N -1 3 499.180 5.162 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000009292212 555067380 /nfs/dbraw/zinc/06/73/80/555067380.db2.gz PINIHTSUYLLQKH-ZRBLBEILSA-N -1 3 450.897 5.147 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000009424001 555188355 /nfs/dbraw/zinc/18/83/55/555188355.db2.gz TUEBVZMUJOZKPU-BDTNDASRSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000009424822 555189631 /nfs/dbraw/zinc/18/96/31/555189631.db2.gz CRYCDDDPTISSKT-BDTNDASRSA-N -1 3 453.325 5.353 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000009455045 555225718 /nfs/dbraw/zinc/22/57/18/555225718.db2.gz IEDYHFDKIHVILF-NXCFDTQHSA-N -1 3 456.542 5.307 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3Cc2ccccc2)cc1 ZINC000009462882 555232136 /nfs/dbraw/zinc/23/21/36/555232136.db2.gz IPFLJDRUQGGQBC-PFBJBMPXSA-N -1 3 470.569 5.177 40 0 JKABHM O=C(N1CCC(Nc2nc(C(F)(F)F)cc(=O)[n-]2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000013564891 555500070 /nfs/dbraw/zinc/50/00/70/555500070.db2.gz RGKFFJORUOEAAN-UHFFFAOYSA-N -1 3 487.507 5.088 40 0 JKABHM Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1Cc1cccc2ccccc21 ZINC000013611838 555534361 /nfs/dbraw/zinc/53/43/61/555534361.db2.gz DPORDYUIQYILAL-UHFFFAOYSA-N -1 3 478.518 5.168 40 0 JKABHM Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000013611820 555534427 /nfs/dbraw/zinc/53/44/27/555534427.db2.gz QGEPLMKDOVTGOM-UHFFFAOYSA-N -1 3 470.539 5.138 40 0 JKABHM C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013617548 555536990 /nfs/dbraw/zinc/53/69/90/555536990.db2.gz POFJLUIMNQZBLM-DPLHUUCSSA-N -1 3 453.325 5.435 40 0 JKABHM N=C(Nc1ccccc1C(F)(F)F)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[n-]1 ZINC000013634112 555543914 /nfs/dbraw/zinc/54/39/14/555543914.db2.gz RLSIVPQRFFVKOA-UHFFFAOYSA-N -1 3 476.509 5.149 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccccc3)cc2Cl)cc1 ZINC000019931502 555548900 /nfs/dbraw/zinc/54/89/00/555548900.db2.gz LBKLWENYVNUYPP-UHFFFAOYSA-N -1 3 475.035 5.112 40 0 JKABHM O=C(NCCCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019932332 555549743 /nfs/dbraw/zinc/54/97/43/555549743.db2.gz BAWDFCNCEFLNCF-UHFFFAOYSA-N -1 3 463.386 5.157 40 0 JKABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000020020158 555596521 /nfs/dbraw/zinc/59/65/21/555596521.db2.gz PHVDFZKQBXNYBP-LJQANCHMSA-N -1 3 484.643 5.082 40 0 JKABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000020022589 555600292 /nfs/dbraw/zinc/60/02/92/555600292.db2.gz JQYAGLACSFZDKQ-FQEVSTJZSA-N -1 3 498.670 5.391 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)c(Cl)c2)cc1 ZINC000020023494 555601462 /nfs/dbraw/zinc/60/14/62/555601462.db2.gz SNTOZPOUEFIUQC-UHFFFAOYSA-N -1 3 492.956 5.005 40 0 JKABHM Cc1ccc2oc(-c3cc(NC(=S)NC(=O)COc4ccc(Cl)cc4C)ccc3[O-])nc2c1 ZINC000010035190 555602861 /nfs/dbraw/zinc/60/28/61/555602861.db2.gz PZRPAKMDVBWTBH-UHFFFAOYSA-N -1 3 481.961 5.363 40 0 JKABHM COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000010039356 555604679 /nfs/dbraw/zinc/60/46/79/555604679.db2.gz SFIITFSFRVXMHR-AWNIVKPZSA-N -1 3 477.369 5.455 40 0 JKABHM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1C ZINC000020037784 555611857 /nfs/dbraw/zinc/61/18/57/555611857.db2.gz VBSPLJNNAOTFKW-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSC3CCCCC3)cc2Cl)cc1 ZINC000020043192 555614719 /nfs/dbraw/zinc/61/47/19/555614719.db2.gz QMARXIWECHHZPB-UHFFFAOYSA-N -1 3 467.056 5.245 40 0 JKABHM O=C(NCCSCc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020044844 555615938 /nfs/dbraw/zinc/61/59/38/555615938.db2.gz KVTPGAIYVRHMID-UHFFFAOYSA-N -1 3 495.453 5.457 40 0 JKABHM CCOc1cc([C@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000013777458 555617121 /nfs/dbraw/zinc/61/71/21/555617121.db2.gz LBUYNAOGDHTSOT-FUDKSRODSA-N -1 3 499.350 5.149 40 0 JKABHM CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013778230 555617408 /nfs/dbraw/zinc/61/74/08/555617408.db2.gz KSVSTAIYMSQLPT-HJOGWXRNSA-N -1 3 495.406 6.342 40 0 JKABHM CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020047253 555617680 /nfs/dbraw/zinc/61/76/80/555617680.db2.gz WDWSOKWLOLPTCG-IBGZPJMESA-N -1 3 452.576 5.073 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2C)cc1 ZINC000013806085 555623696 /nfs/dbraw/zinc/62/36/96/555623696.db2.gz YLBGUIGLMBCHGJ-ZNZIZOMTSA-N -1 3 456.542 5.143 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000013810994 555626483 /nfs/dbraw/zinc/62/64/83/555626483.db2.gz PINIHTSUYLLQKH-VABKMULXSA-N -1 3 450.897 5.147 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1C ZINC000013980894 555666547 /nfs/dbraw/zinc/66/65/47/555666547.db2.gz JOGKXNOJPRQUFG-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000013994813 555667982 /nfs/dbraw/zinc/66/79/82/555667982.db2.gz WCAKLKHCJCQMGL-HSZRJFAPSA-N -1 3 452.576 5.209 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1C ZINC000014006935 555668594 /nfs/dbraw/zinc/66/85/94/555668594.db2.gz QQFDMYQSZVLGHZ-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)cc1C ZINC000010314237 555679619 /nfs/dbraw/zinc/67/96/19/555679619.db2.gz IFZNCQRTZBWSIU-UHFFFAOYSA-N -1 3 464.631 5.973 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010328112 555686213 /nfs/dbraw/zinc/68/62/13/555686213.db2.gz ZZUNIBWGZBIQTF-UHFFFAOYSA-N -1 3 484.021 5.379 40 0 JKABHM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000010333554 555689154 /nfs/dbraw/zinc/68/91/54/555689154.db2.gz ULUQODTYQKWFEX-UHFFFAOYSA-N -1 3 491.440 6.489 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)c(C)c1 ZINC000010362388 555697011 /nfs/dbraw/zinc/69/70/11/555697011.db2.gz VEGWIBNVTLXUSC-UHFFFAOYSA-N -1 3 450.604 5.799 40 0 JKABHM O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000010362979 555697348 /nfs/dbraw/zinc/69/73/48/555697348.db2.gz CEPFWIJJSXWHOK-UHFFFAOYSA-N -1 3 469.777 5.629 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)c(C)c1 ZINC000010366174 555697837 /nfs/dbraw/zinc/69/78/37/555697837.db2.gz SQVIBVHSZSPRBL-UHFFFAOYSA-N -1 3 464.631 5.973 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2)c1 ZINC000010369894 555699140 /nfs/dbraw/zinc/69/91/40/555699140.db2.gz WXWBTDMKABIMRW-UHFFFAOYSA-N -1 3 463.603 5.034 40 0 JKABHM CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000014132019 555700014 /nfs/dbraw/zinc/70/00/14/555700014.db2.gz HTVYBVKHRNBGAV-UDWIEESQSA-N -1 3 484.371 5.943 40 0 JKABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014152716 555708442 /nfs/dbraw/zinc/70/84/42/555708442.db2.gz UWQCIRVZADLIGB-UHFFFAOYSA-N -1 3 477.295 5.440 40 0 JKABHM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000014153737 555710000 /nfs/dbraw/zinc/71/00/00/555710000.db2.gz NDNXNXOOSAKSIZ-NTEUORMPSA-N -1 3 461.370 5.755 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc5ccccc5c4)ccc3[O-])oc2c(C)c1 ZINC000014270290 555762188 /nfs/dbraw/zinc/76/21/88/555762188.db2.gz BPAQLAKREGMJOC-UHFFFAOYSA-N -1 3 467.550 6.097 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000020317491 555770116 /nfs/dbraw/zinc/77/01/16/555770116.db2.gz IOKJUTZEKFZPCR-LNKIKWGQSA-N -1 3 491.396 5.845 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cccc(Cl)c3)cc2)cc1 ZINC000020328212 555774259 /nfs/dbraw/zinc/77/42/59/555774259.db2.gz LHKYPPLBMMIRKE-QHCPKHFHSA-N -1 3 488.993 5.336 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cccc(C)c3C)cc2)cc1 ZINC000020329955 555775562 /nfs/dbraw/zinc/77/55/62/555775562.db2.gz OZNQBLRGEJTAHO-XMMPIXPASA-N -1 3 482.602 5.299 40 0 JKABHM COc1c(C)cccc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000014274507 555776772 /nfs/dbraw/zinc/77/67/72/555776772.db2.gz NUIAFMCFULKRKB-UHFFFAOYSA-N -1 3 475.570 5.768 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)ccc3[O-])oc2c1 ZINC000014275129 555779781 /nfs/dbraw/zinc/77/97/81/555779781.db2.gz ZWHKVBFLVXLCKP-UHFFFAOYSA-N -1 3 479.561 6.303 40 0 JKABHM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000014275179 555779786 /nfs/dbraw/zinc/77/97/86/555779786.db2.gz XRQVZZXQVMYADQ-UHFFFAOYSA-N -1 3 489.597 6.069 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC(C)C)cc4)ccc3[O-])nc2c1 ZINC000014275185 555780130 /nfs/dbraw/zinc/78/01/30/555780130.db2.gz GSFZZOMPOFZEFD-UHFFFAOYSA-N -1 3 475.570 5.677 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)ccc3[O-])nc2c1 ZINC000014275197 555780143 /nfs/dbraw/zinc/78/01/43/555780143.db2.gz WJSWJZBBDYZTLX-RIYZIHGNSA-N -1 3 485.609 6.413 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000011582386 555788156 /nfs/dbraw/zinc/78/81/56/555788156.db2.gz LFKSTPLPVXVNTB-HKBOAZHASA-N -1 3 473.743 5.698 40 0 JKABHM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000014396440 555802204 /nfs/dbraw/zinc/80/22/04/555802204.db2.gz VCIUMALJFXUVII-QGZVFWFLSA-N -1 3 487.021 5.844 40 0 JKABHM Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000014398053 555803908 /nfs/dbraw/zinc/80/39/08/555803908.db2.gz YBSZRYBLEMPXDO-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000014398354 555804168 /nfs/dbraw/zinc/80/41/68/555804168.db2.gz JZDDVQSZOVNNSZ-CYBMUJFWSA-N -1 3 499.803 5.854 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)c(C)c1 ZINC000014399426 555804822 /nfs/dbraw/zinc/80/48/22/555804822.db2.gz WFVXLRARCYLXLY-IBGZPJMESA-N -1 3 487.021 5.780 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000014399525 555804872 /nfs/dbraw/zinc/80/48/72/555804872.db2.gz VZQLBOGLBLTUCY-GOSISDBHSA-N -1 3 482.602 5.200 40 0 JKABHM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000014400002 555805625 /nfs/dbraw/zinc/80/56/25/555805625.db2.gz MGPXBOIDNWQJKL-UHFFFAOYSA-N -1 3 493.412 5.900 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000014401219 555806492 /nfs/dbraw/zinc/80/64/92/555806492.db2.gz YYKXWPDCWMJBLY-UHFFFAOYSA-N -1 3 480.586 5.160 40 0 JKABHM O=c1cc(-c2ccccc2Cl)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]1 ZINC000014608501 555836772 /nfs/dbraw/zinc/83/67/72/555836772.db2.gz WEYMCQDCMFGUQT-UHFFFAOYSA-N -1 3 456.977 5.002 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)ccc3[O-])oc2c1 ZINC000021595813 555853907 /nfs/dbraw/zinc/85/39/07/555853907.db2.gz POLUVJNWWBYJJV-GXDHUFHOSA-N -1 3 495.560 6.295 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c(Cl)c1 ZINC000022532718 555932410 /nfs/dbraw/zinc/93/24/10/555932410.db2.gz BLOZHFUVGDQZBY-UHFFFAOYSA-N -1 3 451.935 5.597 40 0 JKABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1Cl ZINC000022579939 555939656 /nfs/dbraw/zinc/93/96/56/555939656.db2.gz CBTBBLFBQANVKO-UHFFFAOYSA-N -1 3 468.003 6.066 40 0 JKABHM Cc1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022579968 555939700 /nfs/dbraw/zinc/93/97/00/555939700.db2.gz DQOQBIFWFXNLNP-UHFFFAOYSA-N -1 3 468.003 5.686 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022707991 555944438 /nfs/dbraw/zinc/94/44/38/555944438.db2.gz BQZDOHXDQUEZBF-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000022716277 555947763 /nfs/dbraw/zinc/94/77/63/555947763.db2.gz CGWCHRZQUAHCQC-UHFFFAOYSA-N -1 3 479.583 5.121 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc(Br)c2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022739154 555948615 /nfs/dbraw/zinc/94/86/15/555948615.db2.gz AFAJGBDYBPDLMU-UHFFFAOYSA-N -1 3 482.359 5.398 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022746172 555951016 /nfs/dbraw/zinc/95/10/16/555951016.db2.gz MHEXXGDAINBMQD-UHFFFAOYSA-N -1 3 488.421 6.411 40 0 JKABHM CC(C)N(C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1Cc1ccco1)C(C)C ZINC000012467627 555981593 /nfs/dbraw/zinc/98/15/93/555981593.db2.gz ULXTYVIUFCJKGJ-UHFFFAOYSA-N -1 3 464.591 5.183 40 0 JKABHM CCc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1[O-] ZINC000012473863 555982312 /nfs/dbraw/zinc/98/23/12/555982312.db2.gz OHNGEZTZKGWYFQ-UHFFFAOYSA-N -1 3 464.978 5.587 40 0 JKABHM Cc1cc([O-])c(C(=O)CCCCCCCCCCC(=O)c2cc(Cl)c(C)cc2O)cc1Cl ZINC000016268058 556131625 /nfs/dbraw/zinc/13/16/25/556131625.db2.gz GNCVFERECBTMJU-UHFFFAOYSA-N -1 3 479.444 7.988 40 0 JKABHM Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(-c2nc3ncccc3o2)c1[O-] ZINC000016269595 556132001 /nfs/dbraw/zinc/13/20/01/556132001.db2.gz VXGCGPSSVSCPRF-UHFFFAOYSA-N -1 3 470.337 6.678 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000016293425 556134331 /nfs/dbraw/zinc/13/43/31/556134331.db2.gz GFEBOGDRDVLRIY-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000016480454 556140314 /nfs/dbraw/zinc/14/03/14/556140314.db2.gz BYXQNVLNFUOMMF-UHFFFAOYSA-N -1 3 488.565 5.084 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000016490498 556140992 /nfs/dbraw/zinc/14/09/92/556140992.db2.gz DYCXDAPGFRNIHM-UHFFFAOYSA-N -1 3 474.538 5.297 40 0 JKABHM CCOc1ccc(-c2nc3cc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1 ZINC000016691939 556153074 /nfs/dbraw/zinc/15/30/74/556153074.db2.gz FUBFPPYCAYXKPL-UHFFFAOYSA-N -1 3 458.754 5.077 40 0 JKABHM CCOc1ccc(-c2nc3cc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)ccc3o2)cc1 ZINC000016691939 556153076 /nfs/dbraw/zinc/15/30/76/556153076.db2.gz FUBFPPYCAYXKPL-UHFFFAOYSA-N -1 3 458.754 5.077 40 0 JKABHM C[C@H](CCC(O)(CC[C@H](C)CC(C)(C)C)C(=O)COC(=O)c1ccc([O-])cc1)CC(C)(C)C ZINC000017352582 556259075 /nfs/dbraw/zinc/25/90/75/556259075.db2.gz SHALQAZWLACCBM-QOEARLRASA-N -1 3 462.671 6.554 40 0 JKABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)ccc2N1C(=O)c1ccccc1 ZINC000028206992 556317752 /nfs/dbraw/zinc/31/77/52/556317752.db2.gz UOYDFSKXVGLKPG-HXUWFJFHSA-N -1 3 484.577 5.871 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3cccc(C)c3)cc2Cl)cc1 ZINC000030752146 556371546 /nfs/dbraw/zinc/37/15/46/556371546.db2.gz ZRGJRDPFBHVGEB-UHFFFAOYSA-N -1 3 456.995 5.120 40 0 JKABHM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000030756720 556373579 /nfs/dbraw/zinc/37/35/79/556373579.db2.gz MPGSNTWEIOFERE-QFIPXVFZSA-N -1 3 489.062 6.267 40 0 JKABHM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000030851888 556377925 /nfs/dbraw/zinc/37/79/25/556377925.db2.gz SGVGKESDIRRGQA-UHFFFAOYSA-N -1 3 469.006 5.236 40 0 JKABHM O=C(Nc1ccc(Br)cc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030854400 556379395 /nfs/dbraw/zinc/37/93/95/556379395.db2.gz YXZGJNPNNAFVFG-UHFFFAOYSA-N -1 3 483.746 5.295 40 0 JKABHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000032100827 556416489 /nfs/dbraw/zinc/41/64/89/556416489.db2.gz RPEZYVZMVAXAHP-VOJFVSQTSA-N -1 3 453.288 5.180 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000032100814 556416501 /nfs/dbraw/zinc/41/65/01/556416501.db2.gz DIVFFINKSWOGPY-SANMLTNESA-N -1 3 488.550 5.811 40 0 JKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(C4CCCCC4)cc3)sc2c1 ZINC000032119204 556425993 /nfs/dbraw/zinc/42/59/93/556425993.db2.gz VRMMEVCVIVGDAV-UHFFFAOYSA-N -1 3 481.687 6.579 40 0 JKABHM CC(C)(CN1CCCCC1)C(=O)C[C@@H](SCCS(=O)(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000008665081 562948742 /nfs/dbraw/zinc/94/87/42/562948742.db2.gz CCUSHBCCOCSMDD-GOSISDBHSA-N -1 3 482.495 5.127 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000059422256 569603521 /nfs/dbraw/zinc/60/35/21/569603521.db2.gz VWQWTFHSEDLXTR-UHFFFAOYSA-N -1 3 472.994 5.554 40 0 JKABHM O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000059483621 569604940 /nfs/dbraw/zinc/60/49/40/569604940.db2.gz DQKBBFCGYVIECC-IZZNHLLZSA-N -1 3 462.376 6.737 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 ZINC000033367098 569625134 /nfs/dbraw/zinc/62/51/34/569625134.db2.gz MNUBNPMYLPDFQX-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000033423522 569626248 /nfs/dbraw/zinc/62/62/48/569626248.db2.gz FHGMMXQBBYZEFJ-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000033546524 569627676 /nfs/dbraw/zinc/62/76/76/569627676.db2.gz UIRQFAFXBMZLCL-UHFFFAOYSA-N -1 3 466.603 5.247 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000033571820 569628020 /nfs/dbraw/zinc/62/80/20/569628020.db2.gz KEXPRCJBUXUVKY-UHFFFAOYSA-N -1 3 492.528 5.436 40 0 JKABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000033600724 569628558 /nfs/dbraw/zinc/62/85/58/569628558.db2.gz DTMNETDIAWPEEH-SSDOTTSWSA-N -1 3 476.596 5.259 40 0 JKABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1Cl ZINC000033670936 569630511 /nfs/dbraw/zinc/63/05/11/569630511.db2.gz LGNYOKPVNKWYKT-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 ZINC000033760519 569633811 /nfs/dbraw/zinc/63/38/11/569633811.db2.gz PDMLRRXMUSASMB-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Br)c1ccccc1Br ZINC000033760917 569633884 /nfs/dbraw/zinc/63/38/84/569633884.db2.gz YOJBDIOYBOQBSS-UHFFFAOYSA-N -1 3 459.081 5.031 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(=O)c1cccc(Cl)c1 ZINC000033764484 569633973 /nfs/dbraw/zinc/63/39/73/569633973.db2.gz DCAGPZSQRJZVEX-UHFFFAOYSA-N -1 3 472.994 5.834 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)c1 ZINC000033793256 569635243 /nfs/dbraw/zinc/63/52/43/569635243.db2.gz WHSHHDAMQCJBLW-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1C ZINC000034759555 569657539 /nfs/dbraw/zinc/65/75/39/569657539.db2.gz WQTMRVXPDUQCJJ-ZRBLBEILSA-N -1 3 467.352 5.661 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 ZINC000034847142 569666877 /nfs/dbraw/zinc/66/68/77/569666877.db2.gz HCGNAGOXSAVQOQ-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)[N-][C@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC000035047585 569674055 /nfs/dbraw/zinc/67/40/55/569674055.db2.gz VXKWFFYOIFTXMQ-WFBYXXMGSA-N -1 3 498.587 6.521 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000035087271 569674561 /nfs/dbraw/zinc/67/45/61/569674561.db2.gz QEOFLMGAOPGZFG-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000035104377 569674842 /nfs/dbraw/zinc/67/48/42/569674842.db2.gz WIUHHKUVJWYKEJ-UHFFFAOYSA-N -1 3 458.967 5.327 40 0 JKABHM CSc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079191872 569707118 /nfs/dbraw/zinc/70/71/18/569707118.db2.gz QCSIKCTWVCXWFQ-JPSNIWGYSA-N -1 3 494.609 6.037 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000096787038 569743006 /nfs/dbraw/zinc/74/30/06/569743006.db2.gz DRCQQQVMZQACSR-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4cc(Cl)cc(Cl)c4)C(=O)[C@]32C)cc1 ZINC000036037780 569752311 /nfs/dbraw/zinc/75/23/11/569752311.db2.gz CLMOVBXGSYWPNR-RQTOMXEWSA-N -1 3 483.351 5.443 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000100444712 569761325 /nfs/dbraw/zinc/76/13/25/569761325.db2.gz DFYREVUVWUTNKF-UHFFFAOYSA-N -1 3 459.365 5.119 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1C ZINC000100893580 569774462 /nfs/dbraw/zinc/77/44/62/569774462.db2.gz VKVKBVQYPQPHFH-VJBWXMMDSA-N -1 3 477.358 5.117 40 0 JKABHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000101038628 569780296 /nfs/dbraw/zinc/78/02/96/569780296.db2.gz IEDYHFDKIHVILF-CYXNTTPDSA-N -1 3 456.542 5.307 40 0 JKABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000101096633 569782483 /nfs/dbraw/zinc/78/24/83/569782483.db2.gz PXSBOFFPANTTHJ-ZRBLBEILSA-N -1 3 467.352 5.607 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101132387 569784007 /nfs/dbraw/zinc/78/40/07/569784007.db2.gz PCHRNFDRVIKOHO-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000101138654 569784317 /nfs/dbraw/zinc/78/43/17/569784317.db2.gz VFGVPJFOWZWFSG-ZNZIZOMTSA-N -1 3 454.570 5.652 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1C ZINC000101160637 569785136 /nfs/dbraw/zinc/78/51/36/569785136.db2.gz WQTMRVXPDUQCJJ-ZLNRFVROSA-N -1 3 467.352 5.661 40 0 JKABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000101187940 569786434 /nfs/dbraw/zinc/78/64/34/569786434.db2.gz CICFCRFDQMHNBT-VJBWXMMDSA-N -1 3 498.457 5.035 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000101187452 569786456 /nfs/dbraw/zinc/78/64/56/569786456.db2.gz MBIOULGFXPJTOP-GVAUOCQISA-N -1 3 474.582 5.248 40 0 JKABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000101200694 569786947 /nfs/dbraw/zinc/78/69/47/569786947.db2.gz CPVCJMVMLUVMEX-ZRBLBEILSA-N -1 3 498.457 5.035 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000101220419 569787294 /nfs/dbraw/zinc/78/72/94/569787294.db2.gz CMEDXUQINCEJCE-QKDODKLFSA-N -1 3 464.496 5.544 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000101236662 569787759 /nfs/dbraw/zinc/78/77/59/569787759.db2.gz PINIHTSUYLLQKH-VJBWXMMDSA-N -1 3 450.897 5.147 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000101248353 569788051 /nfs/dbraw/zinc/78/80/51/569788051.db2.gz HVEBVCCBSCCNLB-SMIHKQSGSA-N -1 3 496.485 5.545 40 0 JKABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(C(F)(F)F)c2)cc1 ZINC000101252832 569788168 /nfs/dbraw/zinc/78/81/68/569788168.db2.gz DLMAWDOBBYYXGS-ZRBLBEILSA-N -1 3 482.458 5.155 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(C)c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038166436 569799741 /nfs/dbraw/zinc/79/97/41/569799741.db2.gz GLBXUXHRQPLPMQ-UHFFFAOYSA-N -1 3 479.005 5.949 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038172280 569799746 /nfs/dbraw/zinc/79/97/46/569799746.db2.gz OSDCUNKPAZVAKL-UHFFFAOYSA-N -1 3 479.005 5.949 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038173231 569799925 /nfs/dbraw/zinc/79/99/25/569799925.db2.gz VTDQJCBXOKZAOL-UHFFFAOYSA-N -1 3 488.657 5.434 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038173572 569799950 /nfs/dbraw/zinc/79/99/50/569799950.db2.gz LMKADCBWWZGYBG-UHFFFAOYSA-N -1 3 472.614 6.111 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1 ZINC000038755183 569807069 /nfs/dbraw/zinc/80/70/69/569807069.db2.gz IWLUYMJEPWSCKF-LJQANCHMSA-N -1 3 452.576 5.325 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000038755936 569807098 /nfs/dbraw/zinc/80/70/98/569807098.db2.gz QBBKZIDNCYWSMS-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000038756973 569807387 /nfs/dbraw/zinc/80/73/87/569807387.db2.gz SWHGTHCKLCRNJY-XMMPIXPASA-N -1 3 478.545 5.576 40 0 JKABHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000038771753 569807699 /nfs/dbraw/zinc/80/76/99/569807699.db2.gz RXKAJEZPJWJKIL-OAQYLSRUSA-N -1 3 493.412 5.899 40 0 JKABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000039748803 569811183 /nfs/dbraw/zinc/81/11/83/569811183.db2.gz NJLSPKCESVIQNV-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000039744592 569811228 /nfs/dbraw/zinc/81/12/28/569811228.db2.gz CWGYQSBGYDERGN-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039762908 569811611 /nfs/dbraw/zinc/81/16/11/569811611.db2.gz JISHFWXEENVTFB-UHFFFAOYSA-N -1 3 495.620 5.094 40 0 JKABHM Cc1ccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)CC2)cc1 ZINC000039767575 569811698 /nfs/dbraw/zinc/81/16/98/569811698.db2.gz TUZYJHFCYPVCHJ-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM Cc1ccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000039772511 569811955 /nfs/dbraw/zinc/81/19/55/569811955.db2.gz OIMWZGAWSMNONB-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3[C@@]2(CC)CCC(CC)=CO2)cc1 ZINC000102724777 569817770 /nfs/dbraw/zinc/81/77/70/569817770.db2.gz QJZAAVNLNNRBFQ-GFQWBHFJSA-N -1 3 490.600 5.407 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102730415 569818135 /nfs/dbraw/zinc/81/81/35/569818135.db2.gz MQPPHYGHLMXTPS-VJBWXMMDSA-N -1 3 490.346 5.593 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1 ZINC000102732028 569818307 /nfs/dbraw/zinc/81/83/07/569818307.db2.gz DXAKBAZQJKEEPE-HKBOAZHASA-N -1 3 483.749 5.154 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102736740 569818620 /nfs/dbraw/zinc/81/86/20/569818620.db2.gz XHYRUJWPXZAJNZ-HKBOAZHASA-N -1 3 457.288 5.184 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102735145 569818707 /nfs/dbraw/zinc/81/87/07/569818707.db2.gz UWLGEGGSZYIQSL-HKBOAZHASA-N -1 3 473.743 5.698 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102757144 569821526 /nfs/dbraw/zinc/82/15/26/569821526.db2.gz LWODHHPUMNDSQK-FDFHNCONSA-N -1 3 453.325 5.353 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102765031 569822820 /nfs/dbraw/zinc/82/28/20/569822820.db2.gz BTMFSNWJQHGSAJ-NJYVYQBISA-N -1 3 457.288 5.184 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000102766905 569823092 /nfs/dbraw/zinc/82/30/92/569823092.db2.gz XFWGDLZHPZWKHE-SDHSZQHLSA-N -1 3 456.448 5.169 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000102766909 569823108 /nfs/dbraw/zinc/82/31/08/569823108.db2.gz XFWGDLZHPZWKHE-DSITVLBTSA-N -1 3 456.448 5.169 40 0 JKABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2Sc2ccccc2)CC(=O)N3)cc1 ZINC000040400427 569827570 /nfs/dbraw/zinc/82/75/70/569827570.db2.gz MQVKPUOUIFAJNT-IBGZPJMESA-N -1 3 497.580 5.038 40 0 JKABHM COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000106687850 569854650 /nfs/dbraw/zinc/85/46/50/569854650.db2.gz LLOPPSDVDJYXPW-NVNXTCNLSA-N -1 3 454.729 5.053 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000107599841 569856698 /nfs/dbraw/zinc/85/66/98/569856698.db2.gz WSHJVZCLZPDSIO-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)c1 ZINC000107716986 569857102 /nfs/dbraw/zinc/85/71/02/569857102.db2.gz UMFZYYLLSBQFPA-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000107875829 569857731 /nfs/dbraw/zinc/85/77/31/569857731.db2.gz YYAJLKNAXCJUTF-UHFFFAOYSA-N -1 3 452.576 5.245 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000108003213 569858263 /nfs/dbraw/zinc/85/82/63/569858263.db2.gz GPUNNGYAEHUOFI-UHFFFAOYSA-N -1 3 456.539 5.230 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)c1 ZINC000108233424 569859163 /nfs/dbraw/zinc/85/91/63/569859163.db2.gz OTTMKTZLMRZMOC-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1C ZINC000108926977 569859901 /nfs/dbraw/zinc/85/99/01/569859901.db2.gz JJOXJKUWTLSZOS-UHFFFAOYSA-N -1 3 493.412 5.106 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)c1 ZINC000110223487 569860716 /nfs/dbraw/zinc/86/07/16/569860716.db2.gz BKCSLHXIKGSJPK-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000135927305 569864472 /nfs/dbraw/zinc/86/44/72/569864472.db2.gz OTRMFXSWOBENJI-FDFHNCONSA-N -1 3 486.877 5.718 40 0 JKABHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000216271458 569878065 /nfs/dbraw/zinc/87/80/65/569878065.db2.gz NOACXYBGILZQKJ-ZDUSSCGKSA-N -1 3 499.803 5.854 40 0 JKABHM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)c2)cc1 ZINC000216344228 569878409 /nfs/dbraw/zinc/87/84/09/569878409.db2.gz ZBHFYCWRPAEGEV-UHFFFAOYSA-N -1 3 491.440 6.485 40 0 JKABHM CC(C)C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000216390851 569878646 /nfs/dbraw/zinc/87/86/46/569878646.db2.gz WJNLUMWTPPLERH-HSZRJFAPSA-N -1 3 456.995 5.658 40 0 JKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(Cl)c1 ZINC000216453809 569878920 /nfs/dbraw/zinc/87/89/20/569878920.db2.gz QMPBLNZGDCEMHF-UHFFFAOYSA-N -1 3 451.331 5.410 40 0 JKABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C ZINC000222740950 569890028 /nfs/dbraw/zinc/89/00/28/569890028.db2.gz HDSZJVAQVLEKRR-UHFFFAOYSA-N -1 3 472.994 5.108 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)c(C)c2)cc1C ZINC000222812362 569891771 /nfs/dbraw/zinc/89/17/71/569891771.db2.gz IDXQZRZIJCKXAC-UHFFFAOYSA-N -1 3 466.603 5.071 40 0 JKABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(C)c(C)c1 ZINC000224263715 569938492 /nfs/dbraw/zinc/93/84/92/569938492.db2.gz HDYTZSPIQUVHKC-KRWDZBQOSA-N -1 3 499.445 5.144 40 0 JKABHM O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224408545 569943655 /nfs/dbraw/zinc/94/36/55/569943655.db2.gz NGZRVTYVDIQZSR-UHFFFAOYSA-N -1 3 476.941 6.293 40 0 JKABHM CC(C)C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1 ZINC000224544485 569947885 /nfs/dbraw/zinc/94/78/85/569947885.db2.gz ZUNVRKJVOBMNNA-KRWDZBQOSA-N -1 3 499.445 5.163 40 0 JKABHM Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224599198 569950087 /nfs/dbraw/zinc/95/00/87/569950087.db2.gz QTVKZSFACSECJD-ZEQRLZLVSA-N -1 3 459.596 6.017 40 0 JKABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccccc1 ZINC000224600731 569950118 /nfs/dbraw/zinc/95/01/18/569950118.db2.gz ACOHBFQBRVNEGZ-CLJLJLNGSA-N -1 3 454.599 5.431 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000224615233 569950873 /nfs/dbraw/zinc/95/08/73/569950873.db2.gz NLPNBCYOMJRLNG-RRPNLBNLSA-N -1 3 462.578 5.908 40 0 JKABHM Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])ccc1Cl ZINC000224614872 569950879 /nfs/dbraw/zinc/95/08/79/569950879.db2.gz FNGQYTJNGZYFAV-ZEQRLZLVSA-N -1 3 460.990 5.717 40 0 JKABHM CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224617125 569950939 /nfs/dbraw/zinc/95/09/39/569950939.db2.gz MNQOVGJQOHHNPZ-LOSJGSFVSA-N -1 3 457.555 5.623 40 0 JKABHM CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224617085 569950947 /nfs/dbraw/zinc/95/09/47/569950947.db2.gz MNQOVGJQOHHNPZ-RPBOFIJWSA-N -1 3 457.555 5.623 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000224616628 569950963 /nfs/dbraw/zinc/95/09/63/569950963.db2.gz CEQIXDRMXQISLB-GOTSBHOMSA-N -1 3 492.398 5.987 40 0 JKABHM Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224619853 569950997 /nfs/dbraw/zinc/95/09/97/569950997.db2.gz XZTHFYWSWYHFPS-ZEQRLZLVSA-N -1 3 461.974 6.186 40 0 JKABHM Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224619802 569951006 /nfs/dbraw/zinc/95/10/06/569951006.db2.gz XZTHFYWSWYHFPS-BJKOFHAPSA-N -1 3 461.974 6.186 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000224617922 569951012 /nfs/dbraw/zinc/95/10/12/569951012.db2.gz CLCKAWRLZPBGCU-XZOQPEGZSA-N -1 3 482.392 6.531 40 0 JKABHM COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224624660 569951278 /nfs/dbraw/zinc/95/12/78/569951278.db2.gz OIFKJERZTUNRHU-ZEQRLZLVSA-N -1 3 471.538 5.011 40 0 JKABHM COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224624334 569951284 /nfs/dbraw/zinc/95/12/84/569951284.db2.gz UCZGDCIVVMAKJR-RPWUZVMVSA-N -1 3 471.538 5.011 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 ZINC000224859712 569960497 /nfs/dbraw/zinc/96/04/97/569960497.db2.gz QUSLSSIPLHVAEF-DLBZAZTESA-N -1 3 466.813 5.442 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 ZINC000224859667 569960513 /nfs/dbraw/zinc/96/05/13/569960513.db2.gz QUSLSSIPLHVAEF-SJORKVTESA-N -1 3 466.813 5.442 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1nccs1 ZINC000224861938 569960558 /nfs/dbraw/zinc/96/05/58/569960558.db2.gz GKRVIUKRPRHWJK-RTWAWAEBSA-N -1 3 482.034 5.482 40 0 JKABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1nccs1 ZINC000224861981 569960576 /nfs/dbraw/zinc/96/05/76/569960576.db2.gz GKRVIUKRPRHWJK-LEWJYISDSA-N -1 3 482.034 5.482 40 0 JKABHM COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224863715 569960692 /nfs/dbraw/zinc/96/06/92/569960692.db2.gz DROQPNPNOQYWQL-BJKOFHAPSA-N -1 3 476.989 5.417 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000224865507 569960813 /nfs/dbraw/zinc/96/08/13/569960813.db2.gz MOTVIZLFCXWEKW-FCHUYYIVSA-N -1 3 450.951 5.061 40 0 JKABHM Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224866154 569960872 /nfs/dbraw/zinc/96/08/72/569960872.db2.gz IPYIFXFRARGDIV-DNQXCXABSA-N -1 3 494.041 6.670 40 0 JKABHM CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224876674 569961334 /nfs/dbraw/zinc/96/13/34/569961334.db2.gz QRNZLDSLIPWKOV-JWQCQUIFSA-N -1 3 490.032 5.474 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 ZINC000224877491 569961431 /nfs/dbraw/zinc/96/14/31/569961431.db2.gz JZGBDZNYRJNNSJ-XZOQPEGZSA-N -1 3 464.953 5.548 40 0 JKABHM CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224878596 569961491 /nfs/dbraw/zinc/96/14/91/569961491.db2.gz NAZPZOAVBDDTLT-DQEYMECFSA-N -1 3 491.016 5.807 40 0 JKABHM CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224878474 569961496 /nfs/dbraw/zinc/96/14/96/569961496.db2.gz NAZPZOAVBDDTLT-JWQCQUIFSA-N -1 3 491.016 5.807 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000224878377 569961510 /nfs/dbraw/zinc/96/15/10/569961510.db2.gz GMJIXCNBMSIJQQ-XZOQPEGZSA-N -1 3 462.962 5.114 40 0 JKABHM Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])ccc1Cl ZINC000224879564 569961549 /nfs/dbraw/zinc/96/15/49/569961549.db2.gz DCOUITGMDGRXKH-DNQXCXABSA-N -1 3 495.435 6.370 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000224881005 569961636 /nfs/dbraw/zinc/96/16/36/569961636.db2.gz UCJUXEPIISANSE-XZOQPEGZSA-N -1 3 482.392 6.531 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000224880875 569961647 /nfs/dbraw/zinc/96/16/47/569961647.db2.gz COLOZKIDERJHGH-DHIUTWEWSA-N -1 3 465.937 6.017 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000224880966 569961668 /nfs/dbraw/zinc/96/16/68/569961668.db2.gz UCJUXEPIISANSE-PKTZIBPZSA-N -1 3 482.392 6.531 40 0 JKABHM CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224881470 569961680 /nfs/dbraw/zinc/96/16/80/569961680.db2.gz SDZHQYDKQVYPIL-RPBOFIJWSA-N -1 3 492.000 6.276 40 0 JKABHM Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224883889 569961837 /nfs/dbraw/zinc/96/18/37/569961837.db2.gz UKNMCLWZPCSQEY-ZEQRLZLVSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224883770 569961843 /nfs/dbraw/zinc/96/18/43/569961843.db2.gz UKNMCLWZPCSQEY-DNQXCXABSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1Cl ZINC000224884130 569961845 /nfs/dbraw/zinc/96/18/45/569961845.db2.gz APFPIAOFTCRTOE-DNQXCXABSA-N -1 3 496.419 6.840 40 0 JKABHM Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224883852 569961858 /nfs/dbraw/zinc/96/18/58/569961858.db2.gz UKNMCLWZPCSQEY-BJKOFHAPSA-N -1 3 496.419 6.840 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 ZINC000224885088 569961865 /nfs/dbraw/zinc/96/18/65/569961865.db2.gz VZXOWPTWGIHRQN-XZOQPEGZSA-N -1 3 453.011 5.924 40 0 JKABHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408595264 569966107 /nfs/dbraw/zinc/96/61/07/569966107.db2.gz UQBGIXGSKCDPQV-IBGZPJMESA-N -1 3 458.624 5.135 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)c(C)c1 ZINC000224973749 569966322 /nfs/dbraw/zinc/96/63/22/569966322.db2.gz FGVJDIKTFAWAJH-UHFFFAOYSA-N -1 3 470.594 5.952 40 0 JKABHM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224974057 569966509 /nfs/dbraw/zinc/96/65/09/569966509.db2.gz CZUFDDMESCENPZ-UHFFFAOYSA-N -1 3 476.985 5.989 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1)N1CCCCCC1 ZINC000408596131 569966644 /nfs/dbraw/zinc/96/66/44/569966644.db2.gz RHJBERAQVREHDA-UHFFFAOYSA-N -1 3 465.575 5.688 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408596250 569966779 /nfs/dbraw/zinc/96/67/79/569966779.db2.gz TZERHZACDWIVSB-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000224986498 569967445 /nfs/dbraw/zinc/96/74/45/569967445.db2.gz IJPGXPYWWGAFSW-UHFFFAOYSA-N -1 3 462.930 5.076 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)cc1Cl ZINC000408597658 569967525 /nfs/dbraw/zinc/96/75/25/569967525.db2.gz ZWYPCXFFMCSQLV-UHFFFAOYSA-N -1 3 480.973 5.620 40 0 JKABHM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000408598072 569967834 /nfs/dbraw/zinc/96/78/34/569967834.db2.gz ZKDXIQZIKWQXIT-AWEZNQCLSA-N -1 3 490.412 5.427 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc45)o3)cc2)cc1 ZINC000408604642 569970465 /nfs/dbraw/zinc/97/04/65/569970465.db2.gz HMFGCDGRAQGVTE-UHFFFAOYSA-N -1 3 486.549 6.038 40 0 JKABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1OCC ZINC000225061108 569972619 /nfs/dbraw/zinc/97/26/19/569972619.db2.gz YKVTXUSHQOQZIO-UHFFFAOYSA-N -1 3 468.575 5.154 40 0 JKABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1OCC ZINC000225061582 569972750 /nfs/dbraw/zinc/97/27/50/569972750.db2.gz LOEVSQMKWBDOGC-UHFFFAOYSA-N -1 3 468.575 5.154 40 0 JKABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1OCC ZINC000225061885 569972756 /nfs/dbraw/zinc/97/27/56/569972756.db2.gz SRVSSPQQDMNMFE-UHFFFAOYSA-N -1 3 474.966 5.191 40 0 JKABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408618320 569976658 /nfs/dbraw/zinc/97/66/58/569976658.db2.gz FIHUJPAJGQENMB-CQSZACIVSA-N -1 3 495.384 5.100 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)ccc1NC(=O)c1ccccc1 ZINC000408621751 569978528 /nfs/dbraw/zinc/97/85/28/569978528.db2.gz MCVYFTVOMXPPDI-UHFFFAOYSA-N -1 3 468.884 5.720 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000408635604 569985974 /nfs/dbraw/zinc/98/59/74/569985974.db2.gz FSYXHTNCQUOHHO-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 ZINC000408636087 569986296 /nfs/dbraw/zinc/98/62/96/569986296.db2.gz LCAGCAMXXIMVPG-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(CC)cccc3CC)c(C)c2)cc1 ZINC000408674620 570009244 /nfs/dbraw/zinc/00/92/44/570009244.db2.gz CVXNWTDDVICVEI-UHFFFAOYSA-N -1 3 496.629 5.337 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c2)cc1C ZINC000408674664 570009366 /nfs/dbraw/zinc/00/93/66/570009366.db2.gz DVUYOAFLAWDIAL-UHFFFAOYSA-N -1 3 493.412 5.737 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)c(C)c2)cc1C ZINC000408674957 570009738 /nfs/dbraw/zinc/00/97/38/570009738.db2.gz NLSBZPARWGHBJY-UHFFFAOYSA-N -1 3 493.412 5.737 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(C)c2)cc1C ZINC000408674910 570009751 /nfs/dbraw/zinc/00/97/51/570009751.db2.gz MEHUFBDUZSLJIY-UHFFFAOYSA-N -1 3 472.994 5.392 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(C)c2)cc1C ZINC000408674993 570009842 /nfs/dbraw/zinc/00/98/42/570009842.db2.gz OJZXWUNUDNWINN-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408675052 570009857 /nfs/dbraw/zinc/00/98/57/570009857.db2.gz GEKOJCCGEGNGPS-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408675253 570010139 /nfs/dbraw/zinc/01/01/39/570010139.db2.gz GWCQXUVNAYAMRM-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c(C)c1 ZINC000408675355 570010143 /nfs/dbraw/zinc/01/01/43/570010143.db2.gz HTUXVKLYOQMSEY-UHFFFAOYSA-N -1 3 472.994 5.392 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000408675313 570010175 /nfs/dbraw/zinc/01/01/75/570010175.db2.gz HJZFTPQJGJOREB-UHFFFAOYSA-N -1 3 488.565 5.606 40 0 JKABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c1 ZINC000408675996 570010517 /nfs/dbraw/zinc/01/05/17/570010517.db2.gz MNQCFTCLXXJTFR-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1c(C)cccc1C(C)C ZINC000408677694 570010950 /nfs/dbraw/zinc/01/09/50/570010950.db2.gz QTHOAPKAFHFFEK-UHFFFAOYSA-N -1 3 487.021 5.899 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408677842 570011120 /nfs/dbraw/zinc/01/11/20/570011120.db2.gz RXFCKTSKALSIOW-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408678719 570011369 /nfs/dbraw/zinc/01/13/69/570011369.db2.gz UVPMQDPQVOQJDM-UHFFFAOYSA-N -1 3 495.384 5.129 40 0 JKABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccc(Cl)cc4Cl)cc3)ccc21 ZINC000408678750 570011518 /nfs/dbraw/zinc/01/15/18/570011518.db2.gz CUCUXLFTRRVITN-UHFFFAOYSA-N -1 3 477.369 5.496 40 0 JKABHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2ccccc2)cc1 ZINC000408680027 570011952 /nfs/dbraw/zinc/01/19/52/570011952.db2.gz FVBLQCIIENQQEQ-QFIPXVFZSA-N -1 3 461.366 5.600 40 0 JKABHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408680411 570012227 /nfs/dbraw/zinc/01/22/27/570012227.db2.gz RVZPMCFPLJEKET-HXUWFJFHSA-N -1 3 462.930 5.076 40 0 JKABHM CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408681453 570012579 /nfs/dbraw/zinc/01/25/79/570012579.db2.gz WDAIFGHJRIQLNU-UHFFFAOYSA-N -1 3 461.008 5.894 40 0 JKABHM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000408681838 570012635 /nfs/dbraw/zinc/01/26/35/570012635.db2.gz UJXBRCLWXAVMLQ-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)cc1C ZINC000408682429 570012845 /nfs/dbraw/zinc/01/28/45/570012845.db2.gz YPNIGODYXNXGDO-UHFFFAOYSA-N -1 3 454.617 5.857 40 0 JKABHM COc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408684830 570013591 /nfs/dbraw/zinc/01/35/91/570013591.db2.gz OFCSJSVYQDBCFX-HSZRJFAPSA-N -1 3 491.392 5.609 40 0 JKABHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2ccc(Cl)cc2)cc1 ZINC000408685656 570013838 /nfs/dbraw/zinc/01/38/38/570013838.db2.gz PRDUAFWZGOZMPK-JOCHJYFZSA-N -1 3 495.811 6.253 40 0 JKABHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2ccc(Cl)cc2)cc1 ZINC000408685657 570013891 /nfs/dbraw/zinc/01/38/91/570013891.db2.gz PRDUAFWZGOZMPK-QFIPXVFZSA-N -1 3 495.811 6.253 40 0 JKABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)ccc21 ZINC000408689008 570014761 /nfs/dbraw/zinc/01/47/61/570014761.db2.gz XLPQMMLWBRTQSA-UHFFFAOYSA-N -1 3 464.587 5.486 40 0 JKABHM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408695072 570017532 /nfs/dbraw/zinc/01/75/32/570017532.db2.gz OXZKCTGHALOOSM-NRFANRHFSA-N -1 3 479.385 5.590 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)cc2)c(C)c1 ZINC000408695111 570017560 /nfs/dbraw/zinc/01/75/60/570017560.db2.gz PRMRORSHVRRPQT-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000408695024 570017581 /nfs/dbraw/zinc/01/75/81/570017581.db2.gz NYCXKBOQZXGOBW-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000408695776 570018048 /nfs/dbraw/zinc/01/80/48/570018048.db2.gz ZCACSSFHBGIAHE-AWEZNQCLSA-N -1 3 495.384 5.209 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000408695981 570018188 /nfs/dbraw/zinc/01/81/88/570018188.db2.gz XSGIAOJFGLWMQV-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1C ZINC000408713281 570025459 /nfs/dbraw/zinc/02/54/59/570025459.db2.gz RIUNPMFCGAIMMW-UHFFFAOYSA-N -1 3 458.605 5.035 40 0 JKABHM Cc1sc2nc(-c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)[n-]c(=O)c2c1C ZINC000408734068 570029857 /nfs/dbraw/zinc/02/98/57/570029857.db2.gz CTVNULYCSVVAMR-UHFFFAOYSA-N -1 3 454.382 6.991 40 0 JKABHM COc1c(Br)cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1Br ZINC000408735751 570030265 /nfs/dbraw/zinc/03/02/65/570030265.db2.gz WWHGULCWRWDRCB-UHFFFAOYSA-N -1 3 470.186 5.476 40 0 JKABHM CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1[O-] ZINC000408801354 570045720 /nfs/dbraw/zinc/04/57/20/570045720.db2.gz ADAXFDUWCGPDOH-UHFFFAOYSA-N -1 3 468.780 5.278 40 0 JKABHM C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Br)ccc2[O-])SC1Nc1ccccc1 ZINC000408805444 570047202 /nfs/dbraw/zinc/04/72/02/570047202.db2.gz KBKHUEJDQVJQGU-WFWAGITPSA-N -1 3 472.428 6.209 40 0 JKABHM COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc(Cl)c1[O-] ZINC000408810254 570048844 /nfs/dbraw/zinc/04/88/44/570048844.db2.gz ILLOEIGPIGFPHN-WFWAGITPSA-N -1 3 458.003 6.108 40 0 JKABHM COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc(Cl)c1[O-] ZINC000408810251 570048853 /nfs/dbraw/zinc/04/88/53/570048853.db2.gz ILLOEIGPIGFPHN-WENSYSQISA-N -1 3 458.003 6.108 40 0 JKABHM COc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408819278 570051536 /nfs/dbraw/zinc/05/15/36/570051536.db2.gz PSKWEFZAGKYHPW-UHFFFAOYSA-N -1 3 461.370 6.575 40 0 JKABHM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408905847 570070722 /nfs/dbraw/zinc/07/07/22/570070722.db2.gz AAZLTSBCGOKEPD-UHFFFAOYSA-N -1 3 477.413 6.344 40 0 JKABHM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408906310 570070825 /nfs/dbraw/zinc/07/08/25/570070825.db2.gz GFHVQAWFPYJMFP-MDWZMJQESA-N -1 3 481.788 6.100 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cccc(Cl)c3)cc2)c(C)c1 ZINC000408920211 570076782 /nfs/dbraw/zinc/07/67/82/570076782.db2.gz BIQNTOZHLJOAKM-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408920834 570077024 /nfs/dbraw/zinc/07/70/24/570077024.db2.gz OXRGRISGKRUSET-UHFFFAOYSA-N -1 3 464.971 5.152 40 0 JKABHM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408921016 570077246 /nfs/dbraw/zinc/07/72/46/570077246.db2.gz QYZCWRBFBLNBRG-AWEZNQCLSA-N -1 3 481.426 5.914 40 0 JKABHM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408923216 570077829 /nfs/dbraw/zinc/07/78/29/570077829.db2.gz UKZPYYMMPBEEGW-SWGQDTFXSA-N -1 3 465.333 5.585 40 0 JKABHM O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408925128 570078331 /nfs/dbraw/zinc/07/83/31/570078331.db2.gz MTAXWXJWIMHMMO-UHFFFAOYSA-N -1 3 481.426 5.915 40 0 JKABHM O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408927602 570078890 /nfs/dbraw/zinc/07/88/90/570078890.db2.gz YDMPDHRHPLYULC-UHFFFAOYSA-N -1 3 481.426 5.666 40 0 JKABHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000408952004 570084267 /nfs/dbraw/zinc/08/42/67/570084267.db2.gz JNDUDAIBUKHHMD-RUZDIDTESA-N -1 3 476.539 5.811 40 0 JKABHM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc(I)c1O ZINC000409004910 570097562 /nfs/dbraw/zinc/09/75/62/570097562.db2.gz YGPWKYWFBSXBES-UHFFFAOYSA-N -1 3 496.370 5.432 40 0 JKABHM CCOc1cc([C@@H]2Nc3ccc4ccccc4c3[C@H]3CC(C)(C)CC(=O)[C@H]23)cc(Br)c1[O-] ZINC000253564276 570103754 /nfs/dbraw/zinc/10/37/54/570103754.db2.gz GIGWQKKNWZZHDR-XYHYBEPMSA-N -1 3 494.429 6.962 40 0 JKABHM CCC(=O)N[C@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2ccc(Cl)cc2)C1 ZINC000257208613 570110520 /nfs/dbraw/zinc/11/05/20/570110520.db2.gz BMWLGRRNHAKVTK-ZVDOUQERSA-N -1 3 452.776 5.686 40 0 JKABHM CCC(=O)N[C@@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2ccc(Cl)cc2)C1 ZINC000257208612 570110582 /nfs/dbraw/zinc/11/05/82/570110582.db2.gz BMWLGRRNHAKVTK-QKNQBKEWSA-N -1 3 452.776 5.686 40 0 JKABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257244995 570121552 /nfs/dbraw/zinc/12/15/52/570121552.db2.gz INRDWLUWADTMQR-OAQYLSRUSA-N -1 3 460.921 5.059 40 0 JKABHM CC(C)CCC[C@]1(C)Oc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000257247897 570122623 /nfs/dbraw/zinc/12/26/23/570122623.db2.gz JBBNTVQVYQNZKH-KHTCYPOJSA-N -1 3 472.025 7.132 40 0 JKABHM CC(C)C(=O)N[C@@]1(C)C[C@H](c2cc(Br)ccc2[O-])O[C@H](c2ccc(Cl)cc2)C1 ZINC000257250913 570123403 /nfs/dbraw/zinc/12/34/03/570123403.db2.gz JONSNMKQJUBZRI-TUNNFDKTSA-N -1 3 466.803 5.932 40 0 JKABHM Cc1cc(CN2CC[C@@H]3O[C@@H]4c5cc(Cl)ccc5OC(C)(C)[C@H]4C[C@@H]3C2)cc(C(=O)[O-])c1O ZINC000257252701 570123977 /nfs/dbraw/zinc/12/39/77/570123977.db2.gz JVTXYVNCDNUZCH-ARKGGFPYSA-N -1 3 471.981 5.192 40 0 JKABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)c1[O-])OC2(C)C ZINC000257267744 570128801 /nfs/dbraw/zinc/12/88/01/570128801.db2.gz MIPABCHZQVKTLR-NZRJUOQRSA-N -1 3 462.634 5.477 40 0 JKABHM CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1[O-] ZINC000409132844 570140891 /nfs/dbraw/zinc/14/08/91/570140891.db2.gz KFRLUMMUIXGNPR-MHWRWJLKSA-N -1 3 487.359 5.012 40 0 JKABHM CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Br)c1[O-] ZINC000409134110 570141512 /nfs/dbraw/zinc/14/15/12/570141512.db2.gz OYFIUWLHJGQKSM-QGOAFFKASA-N -1 3 462.365 5.223 40 0 JKABHM Cc1ccc(OCCn2cc(C=C3SC(=O)[N-]C3=O)c3cc(Br)ccc32)cc1 ZINC000409139779 570144010 /nfs/dbraw/zinc/14/40/10/570144010.db2.gz BNRKIPGZDXYIHC-GRSHGNNSSA-N -1 3 457.349 5.115 40 0 JKABHM COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000409174022 570156085 /nfs/dbraw/zinc/15/60/85/570156085.db2.gz PVRPFWVEKFGMBM-UHFFFAOYSA-N -1 3 481.357 5.064 40 0 JKABHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000409174065 570156107 /nfs/dbraw/zinc/15/61/07/570156107.db2.gz REZIMTNZAVYTJL-LJQANCHMSA-N -1 3 454.617 5.532 40 0 JKABHM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000409177920 570157770 /nfs/dbraw/zinc/15/77/70/570157770.db2.gz DULCRMAEHOPHOU-MRXNPFEDSA-N -1 3 461.008 5.569 40 0 JKABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409180264 570158796 /nfs/dbraw/zinc/15/87/96/570158796.db2.gz VPWTWNLPZMLZOH-SXGZJXTBSA-N -1 3 462.965 5.485 40 0 JKABHM O=S(=O)([N-]CCSCc1ccc(Cl)cc1Cl)c1ccc(Br)s1 ZINC000409181235 570159278 /nfs/dbraw/zinc/15/92/78/570159278.db2.gz ABBHSPAHCXTFDF-UHFFFAOYSA-N -1 3 461.255 5.029 40 0 JKABHM CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Cl)c([O-])c(OC)c1 ZINC000261362564 570167766 /nfs/dbraw/zinc/16/77/66/570167766.db2.gz LFFBHDABPYOKGE-NRFANRHFSA-O -1 3 474.006 5.149 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cccc3Cl)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408541549 570191618 /nfs/dbraw/zinc/19/16/18/570191618.db2.gz BZDJGTIWGVDWBS-UHFFFAOYSA-N -1 3 499.423 6.294 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408541941 570191740 /nfs/dbraw/zinc/19/17/40/570191740.db2.gz FYLDDBDGJGKFFO-UHFFFAOYSA-N -1 3 464.978 5.641 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccc(C(F)F)cc1 ZINC000408544331 570192433 /nfs/dbraw/zinc/19/24/33/570192433.db2.gz VOKAMYMSWSPIHL-UHFFFAOYSA-N -1 3 452.486 5.308 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCC[C@H]3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408545458 570192808 /nfs/dbraw/zinc/19/28/08/570192808.db2.gz QULSOSIGSNFOAY-XLIONFOSSA-N -1 3 450.608 5.044 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)c1 ZINC000408551746 570195337 /nfs/dbraw/zinc/19/53/37/570195337.db2.gz INHVZLWXCUUDND-UHFFFAOYSA-N -1 3 466.603 5.554 40 0 JKABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000408551748 570195378 /nfs/dbraw/zinc/19/53/78/570195378.db2.gz MHWRBLYVPDGOOZ-UHFFFAOYSA-N -1 3 472.994 5.527 40 0 JKABHM Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408553215 570195768 /nfs/dbraw/zinc/19/57/68/570195768.db2.gz PCOXWACAVYTJSE-UHFFFAOYSA-N -1 3 498.910 5.486 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccccc1F ZINC000408553922 570195983 /nfs/dbraw/zinc/19/59/83/570195983.db2.gz AASZZRIWKVEDPL-UHFFFAOYSA-N -1 3 492.528 5.680 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408554044 570196131 /nfs/dbraw/zinc/19/61/31/570196131.db2.gz YOPQTMXYESAVHZ-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408555242 570196725 /nfs/dbraw/zinc/19/67/25/570196725.db2.gz ABBIATNJBQOKCC-UHFFFAOYSA-N -1 3 495.384 5.454 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1NC(=O)c1ccccc1 ZINC000408555222 570196763 /nfs/dbraw/zinc/19/67/63/570196763.db2.gz FJXLUNBLRLJFGD-UHFFFAOYSA-N -1 3 484.883 5.421 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408556718 570197630 /nfs/dbraw/zinc/19/76/30/570197630.db2.gz JHHUZWLLKWZXDV-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000408556885 570197874 /nfs/dbraw/zinc/19/78/74/570197874.db2.gz FEVSTJDYRZIYTC-UHFFFAOYSA-N -1 3 474.966 5.191 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557798 570198423 /nfs/dbraw/zinc/19/84/23/570198423.db2.gz OCUHGRULPUAQPT-UHFFFAOYSA-N -1 3 479.385 5.754 40 0 JKABHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408558295 570198816 /nfs/dbraw/zinc/19/88/16/570198816.db2.gz QHHFNHKLNYVUEP-UHFFFAOYSA-N -1 3 479.385 5.618 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558198 570198883 /nfs/dbraw/zinc/19/88/83/570198883.db2.gz PUSYCNZGCPQEPI-UHFFFAOYSA-N -1 3 472.994 5.663 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc(C)cc1 ZINC000408559249 570199690 /nfs/dbraw/zinc/19/96/90/570199690.db2.gz WCVPYKXQUNWZBG-UHFFFAOYSA-N -1 3 465.358 5.364 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1NC(=O)c1ccccc1 ZINC000408559301 570199701 /nfs/dbraw/zinc/19/97/01/570199701.db2.gz WLRAPWVRQFBMOM-UHFFFAOYSA-N -1 3 452.576 5.263 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559809 570200035 /nfs/dbraw/zinc/20/00/35/570200035.db2.gz ZDEVTCMFSORZEC-UHFFFAOYSA-N -1 3 499.803 6.099 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408560863 570200729 /nfs/dbraw/zinc/20/07/29/570200729.db2.gz QMIVFDXPEBMHGX-UHFFFAOYSA-N -1 3 469.321 5.194 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1NC(=O)c1ccccc1 ZINC000408561484 570201057 /nfs/dbraw/zinc/20/10/57/570201057.db2.gz SXNSNAMTEUXKSL-UHFFFAOYSA-N -1 3 498.910 5.811 40 0 JKABHM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562210 570201640 /nfs/dbraw/zinc/20/16/40/570201640.db2.gz ODEWKBFDUPIHAU-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562356 570201742 /nfs/dbraw/zinc/20/17/42/570201742.db2.gz PAXLAPRSSSEPAC-UHFFFAOYSA-N -1 3 490.984 5.729 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NC1CCCCCCC1 ZINC000408582478 570206927 /nfs/dbraw/zinc/20/69/27/570206927.db2.gz CQKYHGZTCNANHM-UHFFFAOYSA-N -1 3 484.540 5.114 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1)N1CCCCCC1 ZINC000408582648 570207065 /nfs/dbraw/zinc/20/70/65/570207065.db2.gz FARSPFYOLOQTRB-UHFFFAOYSA-N -1 3 476.813 5.856 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000408582952 570207135 /nfs/dbraw/zinc/20/71/35/570207135.db2.gz GLQYDKIBIAUWDS-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 ZINC000408583343 570207255 /nfs/dbraw/zinc/20/72/55/570207255.db2.gz HQJDWTCJFGKKMM-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408584879 570207792 /nfs/dbraw/zinc/20/77/92/570207792.db2.gz WDZVZUDCXZTXDN-UHFFFAOYSA-N -1 3 450.775 5.225 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1Cl ZINC000408586117 570208102 /nfs/dbraw/zinc/20/81/02/570208102.db2.gz AHOGNBSWYJHBFB-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1OCC ZINC000408586540 570208162 /nfs/dbraw/zinc/20/81/62/570208162.db2.gz OYDSOFBWWHSVQS-UHFFFAOYSA-N -1 3 456.520 5.247 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1Cl ZINC000408587488 570208305 /nfs/dbraw/zinc/20/83/05/570208305.db2.gz CWICCTLCTLETMK-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1OCC ZINC000408587287 570208323 /nfs/dbraw/zinc/20/83/23/570208323.db2.gz SYCIOCGYNGGGKB-UHFFFAOYSA-N -1 3 470.547 5.034 40 0 JKABHM CCc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408588218 570208529 /nfs/dbraw/zinc/20/85/29/570208529.db2.gz CYRTXXSYCPVXKA-NRFANRHFSA-N -1 3 477.413 5.084 40 0 JKABHM Cc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000408591609 570209267 /nfs/dbraw/zinc/20/92/67/570209267.db2.gz ITMYTBHLPNBIFG-NRFANRHFSA-N -1 3 477.413 5.139 40 0 JKABHM O=C(NC1CCCCCCC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592432 570209416 /nfs/dbraw/zinc/20/94/16/570209416.db2.gz KKTUCYIFHMGPHJ-OAQYLSRUSA-N -1 3 483.461 5.112 40 0 JKABHM O=C(Nc1ccccc1Cl)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593329 570209762 /nfs/dbraw/zinc/20/97/62/570209762.db2.gz MJXUGIDIQMREPU-LJQANCHMSA-N -1 3 483.804 5.175 40 0 JKABHM COc1ccc(-c2cc(=O)[n-]c(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)n2)cc1OC ZINC000020634941 195191763 /nfs/dbraw/zinc/19/17/63/195191763.db2.gz NQJVVVHFNOJNCJ-UHFFFAOYSA-N -1 3 485.931 5.461 40 0 JKABHM O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc21 ZINC000020765701 195221045 /nfs/dbraw/zinc/22/10/45/195221045.db2.gz DUGMJFBKKWFPDB-UHFFFAOYSA-N -1 3 461.370 5.387 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1C ZINC000020767138 195222512 /nfs/dbraw/zinc/22/25/12/195222512.db2.gz JOJZSLXUMACGGX-UHFFFAOYSA-N -1 3 454.979 5.351 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c(C)c1 ZINC000020767126 195222558 /nfs/dbraw/zinc/22/25/58/195222558.db2.gz ALYURUJUHMNCOU-UHFFFAOYSA-N -1 3 454.979 5.351 40 0 JKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c(C)c1 ZINC000020766977 195222563 /nfs/dbraw/zinc/22/25/63/195222563.db2.gz WGZHNRFTLMOUOK-UHFFFAOYSA-N -1 3 452.551 5.145 40 0 JKABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c(C)c1 ZINC000020767345 195222773 /nfs/dbraw/zinc/22/27/73/195222773.db2.gz LGBQSEVKUVOCST-UHFFFAOYSA-N -1 3 469.006 5.659 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000102864376 130336027 /nfs/dbraw/zinc/33/60/27/130336027.db2.gz OTRMFXSWOBENJI-BHIFYINESA-N -1 3 486.877 5.718 40 0 JKABHM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)c2)cc1 ZINC000044884001 519023509 /nfs/dbraw/zinc/02/35/09/519023509.db2.gz JUWDHMFINRSKIY-UHFFFAOYSA-N -1 3 476.425 6.464 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cc(C)ccc3C)cc2)cc1 ZINC000020460480 521132742 /nfs/dbraw/zinc/13/27/42/521132742.db2.gz NRYJUXLVEBNUJN-DEOSSOPVSA-N -1 3 482.602 5.299 40 0 JKABHM COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000022572719 521805693 /nfs/dbraw/zinc/80/56/93/521805693.db2.gz AXPUGOLSZQCATC-UHFFFAOYSA-N -1 3 463.584 5.421 40 0 JKABHM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)ccc1Cl ZINC000044885702 521890532 /nfs/dbraw/zinc/89/05/32/521890532.db2.gz JSJVAUZMSJHERD-UHFFFAOYSA-N -1 3 493.368 5.142 40 0 JKABHM CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c([N-]C(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 ZINC000022754192 522431020 /nfs/dbraw/zinc/43/10/20/522431020.db2.gz RKPPOYZRQLLUST-SNVBAGLBSA-N -1 3 494.847 7.610 40 0 JKABHM CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000020461450 522878728 /nfs/dbraw/zinc/87/87/28/522878728.db2.gz ISGQHZCTEJOJLW-MHZLTWQESA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000020486929 522884806 /nfs/dbraw/zinc/88/48/06/522884806.db2.gz FZSSQSOPSPACDA-QHCPKHFHSA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020462615 522896828 /nfs/dbraw/zinc/89/68/28/522896828.db2.gz LGCKSTMRORWECK-FQEVSTJZSA-N -1 3 479.385 5.590 40 0 JKABHM CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000044903057 522919224 /nfs/dbraw/zinc/91/92/24/522919224.db2.gz XFDXTXWMRABCKU-NRFANRHFSA-N -1 3 478.998 5.789 40 0 JKABHM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000020456439 523046053 /nfs/dbraw/zinc/04/60/53/523046053.db2.gz JKDHOQYQUCCEHP-RUZDIDTESA-N -1 3 495.000 6.090 40 0 JKABHM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000020486926 523051043 /nfs/dbraw/zinc/05/10/43/523051043.db2.gz FZSSQSOPSPACDA-HSZRJFAPSA-N -1 3 466.603 5.517 40 0 JKABHM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020457608 523051964 /nfs/dbraw/zinc/05/19/64/523051964.db2.gz MGMOCCPGYDSJMK-JOCHJYFZSA-N -1 3 458.967 5.245 40 0 JKABHM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020481984 523054282 /nfs/dbraw/zinc/05/42/82/523054282.db2.gz VAVQSQXRTHDNLC-AREMUKBSSA-N -1 3 488.609 6.054 40 0 JKABHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000044840358 523060466 /nfs/dbraw/zinc/06/04/66/523060466.db2.gz GFZFZCOMMCDNMA-OAQYLSRUSA-N -1 3 472.994 5.554 40 0 JKABHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000022579775 523681456 /nfs/dbraw/zinc/68/14/56/523681456.db2.gz HJUNQHLRHHTLGE-UHFFFAOYSA-N -1 3 467.934 5.298 40 0 JKABHM CCc1ccc2oc(-c3ccc(Cl)c([N-]C(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 ZINC000022578256 524060966 /nfs/dbraw/zinc/06/09/66/524060966.db2.gz IZMHGEBKPKFSPS-UHFFFAOYSA-N -1 3 466.793 6.658 40 0 JKABHM Cc1cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1[N-]S(C)(=O)=O ZINC000022509639 524176256 /nfs/dbraw/zinc/17/62/56/524176256.db2.gz KGJBDCDIMSLDGS-UHFFFAOYSA-N -1 3 464.587 5.147 40 0 JKABHM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022524486 524241243 /nfs/dbraw/zinc/24/12/43/524241243.db2.gz NFIXSGKOGLUYQD-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000020452203 524303114 /nfs/dbraw/zinc/30/31/14/524303114.db2.gz IUJVGHHPNQQZQN-UHFFFAOYSA-N -1 3 458.580 5.115 40 0 JKABHM Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1C ZINC000022537366 524328837 /nfs/dbraw/zinc/32/88/37/524328837.db2.gz MKHFBPYVKDPIJA-HXUWFJFHSA-N -1 3 484.593 5.116 40 0 JKABHM Cc1cccc(CSCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020495746 524460635 /nfs/dbraw/zinc/46/06/35/524460635.db2.gz NBJKWJAMPKQONH-UHFFFAOYSA-N -1 3 475.035 5.112 40 0 JKABHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000044848684 525113619 /nfs/dbraw/zinc/11/36/19/525113619.db2.gz OSHCWAWIVFMPCU-OAHLLOKOSA-N -1 3 477.007 5.269 40 0 JKABHM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(C(C)(C)C)cc1 ZINC000044901538 525217732 /nfs/dbraw/zinc/21/77/32/525217732.db2.gz RDVKMIYSKZSNHK-KRWDZBQOSA-N -1 3 471.022 5.929 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022711755 525262515 /nfs/dbraw/zinc/26/25/15/525262515.db2.gz UGEJOZXZATVLPH-UHFFFAOYSA-N -1 3 475.570 5.670 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022535897 525263148 /nfs/dbraw/zinc/26/31/48/525263148.db2.gz AJUCEJJROZUWIH-UHFFFAOYSA-N -1 3 453.976 5.758 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)c(C)c1 ZINC000044902815 525301659 /nfs/dbraw/zinc/30/16/59/525301659.db2.gz BYZLOVCESGMRGA-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)c(C)c2)cc1C ZINC000022537396 525302260 /nfs/dbraw/zinc/30/22/60/525302260.db2.gz JWJXRRJBVDBMHI-HSZRJFAPSA-N -1 3 494.657 5.594 40 0 JKABHM Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000022509104 525321522 /nfs/dbraw/zinc/32/15/22/525321522.db2.gz RJICQZVGUGKWBK-OAHLLOKOSA-N -1 3 479.385 5.509 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2Cl)cc1 ZINC000020483909 525600844 /nfs/dbraw/zinc/60/08/44/525600844.db2.gz YOMGCSSVHQSKGY-UHFFFAOYSA-N -1 3 472.994 5.166 40 0 JKABHM Cc1ccc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c2ccccc2)cc1 ZINC000044900799 525968597 /nfs/dbraw/zinc/96/85/97/525968597.db2.gz PSESIQPFQGUCGY-AREMUKBSSA-N -1 3 491.012 5.969 40 0 JKABHM Cc1ccc(C(C)C)c(OCc2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2Cl)c1 ZINC000033701785 526248585 /nfs/dbraw/zinc/24/85/85/526248585.db2.gz RJMKBGLYPZCMJG-UHFFFAOYSA-N -1 3 461.949 5.445 40 0 JKABHM O=C([N-]c1cc(-c2nc3ccccc3s2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F ZINC000022536795 527099889 /nfs/dbraw/zinc/09/98/89/527099889.db2.gz UKTNIFGXYYAILJ-UHFFFAOYSA-N -1 3 454.807 6.565 40 0 JKABHM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044885651 527332622 /nfs/dbraw/zinc/33/26/22/527332622.db2.gz DMBYUTFTIQYIQB-UHFFFAOYSA-N -1 3 454.857 5.412 40 0 JKABHM O=C(Nc1ccccc1Sc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044844782 527434849 /nfs/dbraw/zinc/43/48/49/527434849.db2.gz RTZATHINDHTYFC-UHFFFAOYSA-N -1 3 495.025 6.544 40 0 JKABHM O=C(NC1CCCC1)[C@@H](c1ccc2ncccc2c1)N(Cc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000035288791 527508000 /nfs/dbraw/zinc/50/80/00/527508000.db2.gz PUJNZHZKECTQRA-MUUNZHRXSA-N -1 3 479.580 5.383 40 0 JKABHM Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CCc2ccccc2)c(C)c1 ZINC000000650885 553732094 /nfs/dbraw/zinc/73/20/94/553732094.db2.gz BQYSINCRBAJZCQ-UHFFFAOYSA-N -1 3 472.614 5.549 40 0 JKABHM COc1c2c(c(CC=C(C)C)c3oc(=O)c(-c4ccc([O-])cc4)c(OC(C)=O)c13)OC(C)(C)C=C2 ZINC000000689660 553758899 /nfs/dbraw/zinc/75/88/99/553758899.db2.gz GKJJUJWUMHKUCG-UHFFFAOYSA-N -1 3 476.525 5.792 40 0 biogenic,in-vitro JKABHM COc1ccccc1-n1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1[O-] ZINC000000915879 553846044 /nfs/dbraw/zinc/84/60/44/553846044.db2.gz KYLJOHQJQQIMQR-GOSISDBHSA-N -1 3 474.586 5.385 40 0 JKABHM Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000001223713 553935102 /nfs/dbraw/zinc/93/51/02/553935102.db2.gz YOCQZAZLUDLJFU-LJQANCHMSA-N -1 3 458.587 5.321 40 0 JKABHM COc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2[O-])c1 ZINC000001329412 553944045 /nfs/dbraw/zinc/94/40/45/553944045.db2.gz JPOHINBUNLPCOK-UHFFFAOYSA-N -1 3 466.950 5.033 40 0 JKABHM CCc1cccc(C(C)C)c1NC(=O)C([O-])=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC ZINC000001624505 553980742 /nfs/dbraw/zinc/98/07/42/553980742.db2.gz CVXATYQXHDGXNY-QGZVFWFLSA-N -1 3 493.387 5.005 40 0 JKABHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000002410046 554191215 /nfs/dbraw/zinc/19/12/15/554191215.db2.gz IGYJUWUTOCSWLQ-BDTNDASRSA-N -1 3 453.325 5.353 40 0 JKABHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000002453811 554220772 /nfs/dbraw/zinc/22/07/72/554220772.db2.gz FPSDNMWJSNNGOE-ZRBLBEILSA-N -1 3 483.351 5.443 40 0 JKABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1cccc(Cl)c1)Nc1ccccc1Cl ZINC000006445895 554539997 /nfs/dbraw/zinc/53/99/97/554539997.db2.gz XKTFIPDPCQQZTD-UHFFFAOYSA-N -1 3 471.369 5.678 40 0 JKABHM O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000006446774 554540928 /nfs/dbraw/zinc/54/09/28/554540928.db2.gz QBEINMLQNLURTK-JOCHJYFZSA-N -1 3 498.302 6.608 40 0 JKABHM O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000006446774 554540931 /nfs/dbraw/zinc/54/09/31/554540931.db2.gz QBEINMLQNLURTK-JOCHJYFZSA-N -1 3 498.302 6.608 40 0 JKABHM CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1 ZINC000006860460 554559115 /nfs/dbraw/zinc/55/91/15/554559115.db2.gz BYXAAHJJSNKDNF-UHFFFAOYSA-N -1 3 486.641 5.749 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1F)c1ccc(Cl)cc1 ZINC000008810069 554689180 /nfs/dbraw/zinc/68/91/80/554689180.db2.gz FSPQCDNRDVFANJ-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1F)c1cccc(Cl)c1 ZINC000008810220 554689719 /nfs/dbraw/zinc/68/97/19/554689719.db2.gz WUKDLJHRYQCTGI-UHFFFAOYSA-N -1 3 483.746 5.295 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F)c1ccccc1Cl ZINC000008810388 554690199 /nfs/dbraw/zinc/69/01/99/554690199.db2.gz GUYSSHJPMRSDFB-UHFFFAOYSA-N -1 3 473.740 5.839 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1F)c1ccccc1F ZINC000008810677 554691200 /nfs/dbraw/zinc/69/12/00/554691200.db2.gz WLNLRIPBVYVNMI-UHFFFAOYSA-N -1 3 457.285 5.325 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1F)c1ccccc1F ZINC000008810678 554691262 /nfs/dbraw/zinc/69/12/62/554691262.db2.gz JTEWUQVXOJXCBP-UHFFFAOYSA-N -1 3 457.285 5.325 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F)c1ccc(F)cc1 ZINC000008810844 554691474 /nfs/dbraw/zinc/69/14/74/554691474.db2.gz OXVYJDXTTWEJRZ-UHFFFAOYSA-N -1 3 457.285 5.325 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1F)c1ccc(F)cc1 ZINC000008810848 554691564 /nfs/dbraw/zinc/69/15/64/554691564.db2.gz CUZKRIDVECGLJJ-UHFFFAOYSA-N -1 3 491.730 5.978 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)ccc3[O-])oc2c(C)c1 ZINC000008835181 554733591 /nfs/dbraw/zinc/73/35/91/554733591.db2.gz DPPLILNIOLTONS-UHFFFAOYSA-N -1 3 486.380 6.251 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)ccc3[O-])nc2c1 ZINC000008835211 554733750 /nfs/dbraw/zinc/73/37/50/554733750.db2.gz ZBEWXNGWCDJSOG-WUXMJOGZSA-N -1 3 477.973 5.943 40 0 JKABHM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)c1 ZINC000008835205 554733756 /nfs/dbraw/zinc/73/37/56/554733756.db2.gz HZWBFYXRDVQKNE-UHFFFAOYSA-N -1 3 489.597 6.069 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)ccc3[O-])oc2c(C)c1 ZINC000008835198 554733785 /nfs/dbraw/zinc/73/37/85/554733785.db2.gz FFOHIQJCBZWLRS-KPKJPENVSA-N -1 3 485.609 6.467 40 0 JKABHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000009057066 554876098 /nfs/dbraw/zinc/87/60/98/554876098.db2.gz IELNLAGHXQNYRP-UHFFFAOYSA-N -1 3 480.760 6.286 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009063426 554881000 /nfs/dbraw/zinc/88/10/00/554881000.db2.gz ZHDMBDDBKAJKAR-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM CCc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000009064777 554883616 /nfs/dbraw/zinc/88/36/16/554883616.db2.gz LFSSKYPHNAIEIY-UHFFFAOYSA-N -1 3 459.571 6.013 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3[O-])oc2c(C)c1 ZINC000009064908 554884417 /nfs/dbraw/zinc/88/44/17/554884417.db2.gz DJJDCRMOYUCSRR-UHFFFAOYSA-N -1 3 457.511 5.690 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)ccc3[O-])oc2c1 ZINC000009064898 554884441 /nfs/dbraw/zinc/88/44/41/554884441.db2.gz PQNBBAHLJJVNAI-NTUHNPAUSA-N -1 3 471.582 6.159 40 0 JKABHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)c(C)c1 ZINC000009075722 554886973 /nfs/dbraw/zinc/88/69/73/554886973.db2.gz WHEUFGRVKOTSBF-ITHJLQSDSA-N -1 3 462.549 5.816 40 0 JKABHM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc(Cl)ccc1[O-] ZINC000009142402 554935696 /nfs/dbraw/zinc/93/56/96/554935696.db2.gz NYDXLPBLBFRQHD-XBXARRHUSA-N -1 3 467.761 6.139 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c(C)c1 ZINC000009159228 554948865 /nfs/dbraw/zinc/94/88/65/554948865.db2.gz HBQJJBSTVTVRNC-ZRBLBEILSA-N -1 3 477.358 5.117 40 0 JKABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000009210629 554980228 /nfs/dbraw/zinc/98/02/28/554980228.db2.gz GWYMEFLNMYFRLW-GVAUOCQISA-N -1 3 456.542 5.044 40 0 JKABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009292019 555066794 /nfs/dbraw/zinc/06/67/94/555066794.db2.gz XIPBWSMXBRJSGS-ZLNRFVROSA-N -1 3 467.352 5.661 40 0 JKABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000009308407 555082322 /nfs/dbraw/zinc/08/23/22/555082322.db2.gz CPVCJMVMLUVMEX-ZLNRFVROSA-N -1 3 498.457 5.035 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1C ZINC000009356720 555121885 /nfs/dbraw/zinc/12/18/85/555121885.db2.gz VKVKBVQYPQPHFH-ZRBLBEILSA-N -1 3 477.358 5.117 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000013511578 555483209 /nfs/dbraw/zinc/48/32/09/555483209.db2.gz ATXDEDKBOFKTTG-SDHOMARFSA-N -1 3 460.505 5.056 40 0 JKABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1C ZINC000013598961 555529787 /nfs/dbraw/zinc/52/97/87/555529787.db2.gz VKVKBVQYPQPHFH-VABKMULXSA-N -1 3 477.358 5.117 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1N1CCCC1=O ZINC000019934363 555551548 /nfs/dbraw/zinc/55/15/48/555551548.db2.gz BJIKAOSATSNBSR-UHFFFAOYSA-N -1 3 464.631 5.390 40 0 JKABHM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1C ZINC000013680035 555572303 /nfs/dbraw/zinc/57/23/03/555572303.db2.gz CXERWENASSGHPO-UHFFFAOYSA-N -1 3 463.386 5.592 40 0 JKABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000020009583 555585158 /nfs/dbraw/zinc/58/51/58/555585158.db2.gz RVILDQFKBMXIHZ-QHCPKHFHSA-N -1 3 495.000 5.030 40 0 JKABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000020020010 555596254 /nfs/dbraw/zinc/59/62/54/555596254.db2.gz MCLYOIDMKJOYIG-IBGZPJMESA-N -1 3 484.643 5.082 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1C ZINC000020019968 555596296 /nfs/dbraw/zinc/59/62/96/555596296.db2.gz OWTKBIGPXMTNTK-SFHVURJKSA-N -1 3 472.994 5.014 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020118 555596483 /nfs/dbraw/zinc/59/64/83/555596483.db2.gz RDCJLSLTEANECY-SFHVURJKSA-N -1 3 472.994 5.014 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020114 555596514 /nfs/dbraw/zinc/59/65/14/555596514.db2.gz RDCJLSLTEANECY-GOSISDBHSA-N -1 3 472.994 5.014 40 0 JKABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000020020309 555596975 /nfs/dbraw/zinc/59/69/75/555596975.db2.gz ASGJHUOXOSLPFD-IBGZPJMESA-N -1 3 484.643 5.082 40 0 JKABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000020020305 555596986 /nfs/dbraw/zinc/59/69/86/555596986.db2.gz ASGJHUOXOSLPFD-LJQANCHMSA-N -1 3 484.643 5.082 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(CC)cc2)cc1 ZINC000013757708 555611144 /nfs/dbraw/zinc/61/11/44/555611144.db2.gz ZFEIGZFMWSEKRO-GSDHBNRESA-N -1 3 456.542 5.089 40 0 JKABHM O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020039637 555612985 /nfs/dbraw/zinc/61/29/85/555612985.db2.gz BKXCIRMAYCMQFF-UHFFFAOYSA-N -1 3 489.302 6.065 40 0 JKABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013770821 555614900 /nfs/dbraw/zinc/61/49/00/555614900.db2.gz PCHRNFDRVIKOHO-FKBYEOEOSA-N -1 3 453.325 5.353 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(OC(C)C)c3)cc2Cl)cc1 ZINC000020043987 555615329 /nfs/dbraw/zinc/61/53/29/555615329.db2.gz XBPGJQLAKMKGCO-UHFFFAOYSA-N -1 3 458.967 5.489 40 0 JKABHM CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013776147 555616423 /nfs/dbraw/zinc/61/64/23/555616423.db2.gz TUOGVVHZFULDKU-AEMJNJESSA-N -1 3 471.395 5.344 40 0 JKABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000013778223 555617356 /nfs/dbraw/zinc/61/73/56/555617356.db2.gz JVAPSYWNJQZRSO-VABKMULXSA-N -1 3 483.351 5.443 40 0 JKABHM CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020047255 555617647 /nfs/dbraw/zinc/61/76/47/555617647.db2.gz WDWSOKWLOLPTCG-LJQANCHMSA-N -1 3 452.576 5.073 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000013807019 555623719 /nfs/dbraw/zinc/62/37/19/555623719.db2.gz CMEDXUQINCEJCE-PVHODMMVSA-N -1 3 464.496 5.544 40 0 JKABHM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000010112694 555626031 /nfs/dbraw/zinc/62/60/31/555626031.db2.gz HRJWCEVKLXIVLP-UHFFFAOYSA-N -1 3 482.852 6.337 40 0 JKABHM CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000020106331 555639939 /nfs/dbraw/zinc/63/99/39/555639939.db2.gz CWCDIKRLFQBTIC-RUZDIDTESA-N -1 3 490.581 5.445 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020112020 555649258 /nfs/dbraw/zinc/64/92/58/555649258.db2.gz HCFVDZRWLJVKJU-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000020112256 555649622 /nfs/dbraw/zinc/64/96/22/555649622.db2.gz YULJPPCZYJEFQP-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000020112384 555650009 /nfs/dbraw/zinc/65/00/09/555650009.db2.gz AXOMMEWADALFGY-UHFFFAOYSA-N -1 3 495.453 5.625 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2Cl)cc1 ZINC000020112602 555650304 /nfs/dbraw/zinc/65/03/04/555650304.db2.gz MBLQUODPPVCGMC-UHFFFAOYSA-N -1 3 493.810 5.772 40 0 JKABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000014007053 555668643 /nfs/dbraw/zinc/66/86/43/555668643.db2.gz KLLFQBRDRCSTLH-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014013550 555670618 /nfs/dbraw/zinc/67/06/18/555670618.db2.gz URKJUSLQQUGRQZ-QHCPKHFHSA-N -1 3 452.576 5.209 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010314205 555679654 /nfs/dbraw/zinc/67/96/54/555679654.db2.gz IZTGZYGPUYPRSA-UHFFFAOYSA-N -1 3 499.636 5.879 40 0 JKABHM CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000010331300 555687621 /nfs/dbraw/zinc/68/76/21/555687621.db2.gz HWMUCHQKBXOMTK-UHFFFAOYSA-N -1 3 491.440 6.489 40 0 JKABHM CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000010333518 555689117 /nfs/dbraw/zinc/68/91/17/555689117.db2.gz NRRDWAAPABMSKY-UHFFFAOYSA-N -1 3 477.413 5.928 40 0 JKABHM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010367054 555698239 /nfs/dbraw/zinc/69/82/39/555698239.db2.gz NTHGOFAFZCLOPY-UHFFFAOYSA-N -1 3 493.629 5.043 40 0 JKABHM COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000014131934 555699635 /nfs/dbraw/zinc/69/96/35/555699635.db2.gz PMBCGFFVZUUHIA-YBFXNURJSA-N -1 3 470.344 5.553 40 0 JKABHM O=C(NC(=S)Nc1c([O-])ccc2ccccc21)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014269958 555760698 /nfs/dbraw/zinc/76/06/98/555760698.db2.gz DINFFJMHEIUECF-UHFFFAOYSA-N -1 3 457.338 6.239 40 0 JKABHM CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000014270300 555762281 /nfs/dbraw/zinc/76/22/81/555762281.db2.gz ZDPKUDZYWYJPOM-UHFFFAOYSA-N -1 3 461.543 5.288 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3[O-])nc2c1 ZINC000014270296 555762338 /nfs/dbraw/zinc/76/23/38/555762338.db2.gz QIAXJRVTCFOPHV-UHFFFAOYSA-N -1 3 451.935 5.543 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(OC)cc4)ccc3[O-])nc2c1 ZINC000014270310 555762350 /nfs/dbraw/zinc/76/23/50/555762350.db2.gz IPIMABYTQALMAG-NTUHNPAUSA-N -1 3 473.554 5.298 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000020329579 555775459 /nfs/dbraw/zinc/77/54/59/555775459.db2.gz LCHMBJRLMWIRHJ-RUZDIDTESA-N -1 3 482.602 5.299 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(Br)c4)ccc3[O-])nc2c1 ZINC000014275170 555779715 /nfs/dbraw/zinc/77/97/15/555779715.db2.gz ZHBNLOFPAJEINC-UHFFFAOYSA-N -1 3 496.386 5.652 40 0 JKABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4Br)ccc3[O-])oc2c(C)c1 ZINC000014275142 555779757 /nfs/dbraw/zinc/77/97/57/555779757.db2.gz MIYVFPAYMFMFIO-UHFFFAOYSA-N -1 3 496.386 5.707 40 0 JKABHM Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)ccc3[O-])oc2c1 ZINC000014275127 555779805 /nfs/dbraw/zinc/77/98/05/555779805.db2.gz SUNVLWMXVOPBMK-UHFFFAOYSA-N -1 3 475.570 5.670 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)ccc3[O-])nc2c1 ZINC000014275167 555779830 /nfs/dbraw/zinc/77/98/30/555779830.db2.gz JVSLZZPRPADICV-UHFFFAOYSA-N -1 3 486.380 6.196 40 0 JKABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)ccc3[O-])nc2c1 ZINC000014275193 555780097 /nfs/dbraw/zinc/78/00/97/555780097.db2.gz YQJRVRBDPQKFAC-UHFFFAOYSA-N -1 3 493.588 6.557 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1 ZINC000011582392 555788137 /nfs/dbraw/zinc/78/81/37/555788137.db2.gz VDJMILZIOPAUCW-FHWLQOOXSA-N -1 3 478.879 5.471 40 0 JKABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000011612293 555789855 /nfs/dbraw/zinc/78/98/55/555789855.db2.gz OTRMFXSWOBENJI-FSSWDIPSSA-N -1 3 486.877 5.718 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1C ZINC000014398530 555804250 /nfs/dbraw/zinc/80/42/50/555804250.db2.gz BCEAMFURTFVOAB-UHFFFAOYSA-N -1 3 463.603 5.347 40 0 JKABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000014399401 555804967 /nfs/dbraw/zinc/80/49/67/555804967.db2.gz SXYTVAKNOVUZBT-CQSZACIVSA-N -1 3 495.384 5.209 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014400244 555805582 /nfs/dbraw/zinc/80/55/82/555805582.db2.gz XPAYDXPZGRCMDM-UHFFFAOYSA-N -1 3 490.931 5.040 40 0 JKABHM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000014400723 555806275 /nfs/dbraw/zinc/80/62/75/555806275.db2.gz KSUNVOPOLCGCNV-CYBMUJFWSA-N -1 3 483.348 5.339 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)c(C)c1 ZINC000014666316 555837473 /nfs/dbraw/zinc/83/74/73/555837473.db2.gz XYKZMUHXRQCHAT-UHFFFAOYSA-N -1 3 466.603 5.419 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc3nsnc3c2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000021595602 555853296 /nfs/dbraw/zinc/85/32/96/555853296.db2.gz QHMNCOPFTLZYJF-UHFFFAOYSA-N -1 3 477.596 5.109 40 0 JKABHM CCCCCSc1nnc2c(n1)O[C@H](c1cc([O-])ccc1Br)Nc1ccccc1-2 ZINC000015015525 555856236 /nfs/dbraw/zinc/85/62/36/555856236.db2.gz IRBSKMCKGRMYHU-LJQANCHMSA-N -1 3 473.396 5.792 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000015418892 555908117 /nfs/dbraw/zinc/90/81/17/555908117.db2.gz RZJPCOJBSOIJDT-UHFFFAOYSA-N -1 3 464.465 5.076 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)cc1 ZINC000015439190 555909239 /nfs/dbraw/zinc/90/92/39/555909239.db2.gz HAUFRVLTHFANFX-UHFFFAOYSA-N -1 3 495.782 5.164 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000022708004 555944482 /nfs/dbraw/zinc/94/44/82/555944482.db2.gz TTZGFBYQXVVUFA-UHFFFAOYSA-N -1 3 472.353 5.942 40 0 JKABHM CC[C@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3[O-])nc2c1 ZINC000022709650 555945397 /nfs/dbraw/zinc/94/53/97/555945397.db2.gz RMLLXTTWZBYZIU-KRWDZBQOSA-N -1 3 473.598 6.458 40 0 JKABHM Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc(-c2nc3ccccc3s2)c1[O-] ZINC000022746182 555951071 /nfs/dbraw/zinc/95/10/71/555951071.db2.gz PYMZTIPMSSSVLU-UHFFFAOYSA-N -1 3 488.421 6.411 40 0 JKABHM O=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(C(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC000012635994 556095073 /nfs/dbraw/zinc/09/50/73/556095073.db2.gz YTVLMOTWDVQHOT-MHZLTWQESA-N -1 3 471.601 5.515 40 0 JKABHM Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000016269608 556131991 /nfs/dbraw/zinc/13/19/91/556131991.db2.gz AGSFOBMUVYSAAK-UHFFFAOYSA-N -1 3 480.307 6.723 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000016310567 556134256 /nfs/dbraw/zinc/13/42/56/556134256.db2.gz KSRNFFCTEZSLFD-UHFFFAOYSA-N -1 3 492.622 5.631 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000016293332 556134322 /nfs/dbraw/zinc/13/43/22/556134322.db2.gz DRSASJQCEKAVTF-UHFFFAOYSA-N -1 3 486.593 5.080 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000016490392 556140981 /nfs/dbraw/zinc/14/09/81/556140981.db2.gz QHCJELRPJAEWHS-UHFFFAOYSA-N -1 3 484.883 5.177 40 0 JKABHM CC[C@@H](C)c1ccc2oc(-c3cccc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000016610942 556146966 /nfs/dbraw/zinc/14/69/66/556146966.db2.gz NLXOOOHWGCXYKT-LLVKDONJSA-N -1 3 470.809 6.192 40 0 JKABHM CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)c3)nc2c1 ZINC000016610942 556146969 /nfs/dbraw/zinc/14/69/69/556146969.db2.gz NLXOOOHWGCXYKT-LLVKDONJSA-N -1 3 470.809 6.192 40 0 JKABHM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c1 ZINC000016639328 556149273 /nfs/dbraw/zinc/14/92/73/556149273.db2.gz AGSVUYHZSHRZFE-UHFFFAOYSA-N -1 3 477.611 5.975 40 0 JKABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OCc1ccccc1 ZINC000016688619 556152417 /nfs/dbraw/zinc/15/24/17/556152417.db2.gz HCXCTAIDXRLCMI-UHFFFAOYSA-N -1 3 470.363 5.415 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCCC1 ZINC000026115554 556246024 /nfs/dbraw/zinc/24/60/24/556246024.db2.gz QTJUZTXMUCQGMW-UHFFFAOYSA-N -1 3 479.838 5.406 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000026119395 556248462 /nfs/dbraw/zinc/24/84/62/556248462.db2.gz FIZNUHPDHWKONK-UHFFFAOYSA-N -1 3 473.447 5.388 40 0 JKABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCCC1 ZINC000026120844 556249107 /nfs/dbraw/zinc/24/91/07/556249107.db2.gz UZKDEPIOOQWXJV-UHFFFAOYSA-N -1 3 473.447 5.532 40 0 JKABHM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000018045566 556279950 /nfs/dbraw/zinc/27/99/50/556279950.db2.gz XGKXKPRQITVARF-URVUXULASA-N -1 3 469.324 5.053 40 0 JKABHM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000018059661 556281489 /nfs/dbraw/zinc/28/14/89/556281489.db2.gz HEBPGXFSRJKKIQ-FSSWDIPSSA-N -1 3 469.324 5.053 40 0 JKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Cl ZINC000030751153 556370892 /nfs/dbraw/zinc/37/08/92/556370892.db2.gz WSQGINAXRAWEPK-UHFFFAOYSA-N -1 3 451.331 5.410 40 0 JKABHM CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000030758939 556374329 /nfs/dbraw/zinc/37/43/29/556374329.db2.gz MCIYFHHXHKCCLS-RUZDIDTESA-N -1 3 478.545 5.576 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2Cl)cc1 ZINC000030857083 556380239 /nfs/dbraw/zinc/38/02/39/556380239.db2.gz IMYYHIYQPOBVDQ-QFIPXVFZSA-N -1 3 454.979 5.257 40 0 JKABHM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000030861530 556381963 /nfs/dbraw/zinc/38/19/63/556381963.db2.gz INNDFAXUWSBCGF-NRFANRHFSA-N -1 3 497.375 5.729 40 0 JKABHM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000030861595 556381990 /nfs/dbraw/zinc/38/19/90/556381990.db2.gz AXASHHYPCCQXCI-QHCPKHFHSA-N -1 3 452.576 5.209 40 0 JKABHM Cc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000030872462 556385685 /nfs/dbraw/zinc/38/56/85/556385685.db2.gz VHGKZAJMHMVHCD-UHFFFAOYSA-N -1 3 456.995 5.120 40 0 JKABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100717 556416479 /nfs/dbraw/zinc/41/64/79/556416479.db2.gz VRQOYENHWQCOOL-DEOSSOPVSA-N -1 3 462.512 5.421 40 0 JKABHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032100772 556416511 /nfs/dbraw/zinc/41/65/11/556416511.db2.gz ABVDHKPHIYILKL-DEOSSOPVSA-N -1 3 462.512 5.277 40 0 JKABHM O=C([N-]C(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)C(Cl)(Cl)Cl ZINC000032115451 556422669 /nfs/dbraw/zinc/42/26/69/556422669.db2.gz DBFVXEVVOFQMNE-UHFFFAOYSA-N -1 3 485.126 5.610 40 0 JKABHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)COc3ccc(Cl)cc3Cl)sc2c1 ZINC000032119206 556426021 /nfs/dbraw/zinc/42/60/21/556426021.db2.gz YCAUIFUKQVQUCG-UHFFFAOYSA-N -1 3 468.431 5.838 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1C ZINC000033370271 569625090 /nfs/dbraw/zinc/62/50/90/569625090.db2.gz KOTNMSNQECPKQT-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000033508568 569627088 /nfs/dbraw/zinc/62/70/88/569627088.db2.gz IISWWERGELFAKI-UHFFFAOYSA-N -1 3 465.358 5.120 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)c1 ZINC000033635868 569629332 /nfs/dbraw/zinc/62/93/32/569629332.db2.gz ZUOGZLHLYZYVAC-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000033650898 569629654 /nfs/dbraw/zinc/62/96/54/569629654.db2.gz ZXCRKDKGBOWHAA-UHFFFAOYSA-N -1 3 472.994 5.590 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(CC)cccc3CC)cc2)cc1 ZINC000033658068 569629912 /nfs/dbraw/zinc/62/99/12/569629912.db2.gz ILZDZJHDENMJBW-UHFFFAOYSA-N -1 3 482.602 5.028 40 0 JKABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000033665737 569630319 /nfs/dbraw/zinc/63/03/19/569630319.db2.gz AVDAESRJOZUZRO-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000033778614 569634571 /nfs/dbraw/zinc/63/45/71/569634571.db2.gz WHZIAUZSFFXAIQ-UHFFFAOYSA-N -1 3 458.967 5.282 40 0 JKABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000034689635 569645755 /nfs/dbraw/zinc/64/57/55/569645755.db2.gz NWBQMHKZERIMKD-UHFFFAOYSA-N -1 3 472.994 5.501 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000034719531 569652290 /nfs/dbraw/zinc/65/22/90/569652290.db2.gz WIQGZSNLWLVOIS-UHFFFAOYSA-N -1 3 495.384 5.210 40 0 JKABHM COc1ccccc1N(C(=O)c1ccc([O-])cc1)[C@H](C(=O)NC1CCCC1)c1ccc2ncccc2c1 ZINC000035315992 569680558 /nfs/dbraw/zinc/68/05/58/569680558.db2.gz OBHWQUCBFWLRGX-NDEPHWFRSA-N -1 3 495.579 5.396 40 0 JKABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000035386821 569686910 /nfs/dbraw/zinc/68/69/10/569686910.db2.gz CTVDCSBRKGRVDZ-UHFFFAOYSA-N -1 3 466.603 5.247 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccsc1)CC(=O)O3 ZINC000079191644 569707108 /nfs/dbraw/zinc/70/71/08/569707108.db2.gz XRHQUVWGGSCSKX-ASEPJHSNSA-N -1 3 454.544 5.377 40 0 JKABHM CSc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079191864 569707202 /nfs/dbraw/zinc/70/72/02/569707202.db2.gz QCSIKCTWVCXWFQ-YXPIPHOMSA-N -1 3 494.609 6.037 40 0 JKABHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cccc2ccccc21)CC(=O)O3 ZINC000079194164 569707259 /nfs/dbraw/zinc/70/72/59/569707259.db2.gz BAIGPTHTFBKKCQ-YMGGQEJGSA-N -1 3 498.575 6.468 40 0 JKABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000100496658 569762482 /nfs/dbraw/zinc/76/24/82/569762482.db2.gz GXUHEPJLCPFTAK-FKBYEOEOSA-N -1 3 469.324 5.053 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000100562480 569764767 /nfs/dbraw/zinc/76/47/67/569764767.db2.gz LFKSTPLPVXVNTB-NJYVYQBISA-N -1 3 473.743 5.698 40 0 JKABHM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000101035563 569780324 /nfs/dbraw/zinc/78/03/24/569780324.db2.gz HEBPGXFSRJKKIQ-FKBYEOEOSA-N -1 3 469.324 5.053 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101039324 569780332 /nfs/dbraw/zinc/78/03/32/569780332.db2.gz ATXDEDKBOFKTTG-GVAUOCQISA-N -1 3 460.505 5.056 40 0 JKABHM CCc1ccc([C@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101041243 569780471 /nfs/dbraw/zinc/78/04/71/569780471.db2.gz VQZSFLRIFPUOGK-FUDKSRODSA-N -1 3 467.352 5.607 40 0 JKABHM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000101063109 569780905 /nfs/dbraw/zinc/78/09/05/569780905.db2.gz XGKXKPRQITVARF-ONTIZHBOSA-N -1 3 469.324 5.053 40 0 JKABHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000101066897 569780954 /nfs/dbraw/zinc/78/09/54/569780954.db2.gz JZQHUOCERVLIIQ-FSSWDIPSSA-N -1 3 453.325 5.353 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000101080977 569781808 /nfs/dbraw/zinc/78/18/08/569781808.db2.gz XTWMYHIEGIATNO-PVHODMMVSA-N -1 3 484.596 5.824 40 0 JKABHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000101105598 569783040 /nfs/dbraw/zinc/78/30/40/569783040.db2.gz IGYJUWUTOCSWLQ-VSKRKVRLSA-N -1 3 453.325 5.353 40 0 JKABHM CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101130155 569783979 /nfs/dbraw/zinc/78/39/79/569783979.db2.gz DIDRDADLVCXBRP-GSDHBNRESA-N -1 3 490.531 5.064 40 0 JKABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000101145357 569784404 /nfs/dbraw/zinc/78/44/04/569784404.db2.gz ILMPGOMHZRFJFW-ZRBLBEILSA-N -1 3 483.351 5.443 40 0 JKABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000101153157 569784762 /nfs/dbraw/zinc/78/47/62/569784762.db2.gz CFBQIAMWYCHNHS-KCHLEUMXSA-N -1 3 498.623 6.214 40 0 JKABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000101155060 569784780 /nfs/dbraw/zinc/78/47/80/569784780.db2.gz JVAPSYWNJQZRSO-VJBWXMMDSA-N -1 3 483.351 5.443 40 0 JKABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000101155064 569784899 /nfs/dbraw/zinc/78/48/99/569784899.db2.gz JVAPSYWNJQZRSO-ZRBLBEILSA-N -1 3 483.351 5.443 40 0 JKABHM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101181269 569786233 /nfs/dbraw/zinc/78/62/33/569786233.db2.gz BTIOOIGGHNJAGI-FKBYEOEOSA-N -1 3 450.947 5.113 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3F)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038177980 569799942 /nfs/dbraw/zinc/79/99/42/569799942.db2.gz KJYQQCPZDFRLSA-UHFFFAOYSA-N -1 3 462.550 5.435 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)Nc3cc(F)ccc3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000038176784 569800075 /nfs/dbraw/zinc/80/00/75/569800075.db2.gz KOADKEVZLPAXFF-UHFFFAOYSA-N -1 3 462.550 5.435 40 0 JKABHM CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000038753249 569806557 /nfs/dbraw/zinc/80/65/57/569806557.db2.gz QIAMOGDWMOBANR-JOCHJYFZSA-N -1 3 491.034 5.659 40 0 JKABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl ZINC000038754103 569806627 /nfs/dbraw/zinc/80/66/27/569806627.db2.gz IJOUNBAJNBZWJS-UHFFFAOYSA-N -1 3 459.011 5.432 40 0 JKABHM Cc1ccc(CSCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000038755147 569807050 /nfs/dbraw/zinc/80/70/50/569807050.db2.gz SPBYPUQPBSSRHQ-UHFFFAOYSA-N -1 3 475.035 5.112 40 0 JKABHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000038771750 569807639 /nfs/dbraw/zinc/80/76/39/569807639.db2.gz RXKAJEZPJWJKIL-NRFANRHFSA-N -1 3 493.412 5.899 40 0 JKABHM CC(C)(C)[C@H]1CCc2c(sc([N-]C(=O)C(F)(F)F)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000039389026 569809617 /nfs/dbraw/zinc/80/96/17/569809617.db2.gz UWHOIVHGKLFRMZ-NSHDSACASA-N -1 3 458.933 6.306 40 0 JKABHM CC(C)(C)[C@@H]1CCc2c(sc([N-]C(=O)C(F)(F)F)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000039389025 569809634 /nfs/dbraw/zinc/80/96/34/569809634.db2.gz UWHOIVHGKLFRMZ-LLVKDONJSA-N -1 3 458.933 6.306 40 0 JKABHM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)cc2)c1 ZINC000039754234 569811358 /nfs/dbraw/zinc/81/13/58/569811358.db2.gz LFWZORUMOCCEBR-UHFFFAOYSA-N -1 3 498.048 5.300 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706267 569816414 /nfs/dbraw/zinc/81/64/14/569816414.db2.gz IWVMXDZNASXNLL-SDHOMARFSA-N -1 3 489.358 6.198 40 0 JKABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102707260 569816588 /nfs/dbraw/zinc/81/65/88/569816588.db2.gz MHLNKFGUIRISRN-DSITVLBTSA-N -1 3 472.903 5.683 40 0 JKABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3[C@@]2(CC)CCC(CC)=CO2)cc1 ZINC000102724783 569817741 /nfs/dbraw/zinc/81/77/41/569817741.db2.gz QJZAAVNLNNRBFQ-YIPGRGJBSA-N -1 3 490.600 5.407 40 0 JKABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102730410 569818101 /nfs/dbraw/zinc/81/81/01/569818101.db2.gz MQPPHYGHLMXTPS-VABKMULXSA-N -1 3 490.346 5.593 40 0 JKABHM CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102729712 569818184 /nfs/dbraw/zinc/81/81/84/569818184.db2.gz VEZFHJVGNZZXTO-SXPGVMETSA-N -1 3 450.579 5.370 40 0 JKABHM CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102729716 569818192 /nfs/dbraw/zinc/81/81/92/569818192.db2.gz VEZFHJVGNZZXTO-NTMFSWBNSA-N -1 3 450.579 5.370 40 0 JKABHM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000102732210 569818313 /nfs/dbraw/zinc/81/83/13/569818313.db2.gz XGKXKPRQITVARF-RZUBCFFCSA-N -1 3 469.324 5.053 40 0 JKABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102736444 569818666 /nfs/dbraw/zinc/81/86/66/569818666.db2.gz LSOWSSNQULASJV-XPWALMASSA-N -1 3 499.350 5.062 40 0 JKABHM CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102749392 569820662 /nfs/dbraw/zinc/82/06/62/569820662.db2.gz DIDRDADLVCXBRP-UODIDJSMSA-N -1 3 490.531 5.064 40 0 JKABHM CCc1nn2c(ncc3c(=O)n([N-]C(=O)c4ccc(Cl)cc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040396849 569825621 /nfs/dbraw/zinc/82/56/21/569825621.db2.gz GMNTWZZXJIRNAC-UHFFFAOYSA-N -1 3 496.329 5.103 40 0 JKABHM CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000103187973 569833742 /nfs/dbraw/zinc/83/37/42/569833742.db2.gz HAJUGEUHVOQGPR-FDFHNCONSA-N -1 3 484.499 5.478 40 0 JKABHM CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000103187981 569833760 /nfs/dbraw/zinc/83/37/60/569833760.db2.gz HAJUGEUHVOQGPR-BHIFYINESA-N -1 3 484.499 5.478 40 0 JKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000106688334 569854666 /nfs/dbraw/zinc/85/46/66/569854666.db2.gz CGYUCUARZWYJPT-SXGWCWSVSA-N -1 3 468.756 5.443 40 0 JKABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000106720573 569855043 /nfs/dbraw/zinc/85/50/43/569855043.db2.gz PVLDQWCICPQRDG-ODLFYWEKSA-N -1 3 487.318 5.387 40 0 JKABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc(Cl)c1[O-] ZINC000106732558 569855214 /nfs/dbraw/zinc/85/52/14/569855214.db2.gz VUYRABGAXSRIMJ-SXGWCWSVSA-N -1 3 468.756 5.443 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000107723072 569857195 /nfs/dbraw/zinc/85/71/95/569857195.db2.gz SZRKCYWABDUKKN-UHFFFAOYSA-N -1 3 458.967 5.029 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000108093581 569858619 /nfs/dbraw/zinc/85/86/19/569858619.db2.gz JEDZCPFDYVRECJ-UHFFFAOYSA-N -1 3 488.565 5.606 40 0 JKABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000108178530 569858947 /nfs/dbraw/zinc/85/89/47/569858947.db2.gz UDXVLRLLHZNHKV-UHFFFAOYSA-N -1 3 460.555 5.275 40 0 JKABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000135682462 569864426 /nfs/dbraw/zinc/86/44/26/569864426.db2.gz YCKZIYVRIPZFNG-RJGXRXQPSA-N -1 3 499.350 5.062 40 0 JKABHM COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(Br)c1[O-] ZINC000214427047 569876678 /nfs/dbraw/zinc/87/66/78/569876678.db2.gz KAVZJYDCNDAJEV-GIDUJCDVSA-N -1 3 489.174 5.707 40 0 JKABHM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc(Br)c1[O-] ZINC000215092909 569877179 /nfs/dbraw/zinc/87/71/79/569877179.db2.gz MZPXCWRYADCGAT-OVCLIPMQSA-N -1 3 499.180 5.162 40 0 JKABHM O=C(Nc1c(Cl)cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216397088 569878591 /nfs/dbraw/zinc/87/85/91/569878591.db2.gz GJBBTSODMHAIHW-UHFFFAOYSA-N -1 3 455.750 5.700 40 0 JKABHM Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000216277571 569878111 /nfs/dbraw/zinc/87/81/11/569878111.db2.gz YVUHZUFHFQZREO-UHFFFAOYSA-N -1 3 463.386 5.592 40 0 JKABHM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000216298013 569878205 /nfs/dbraw/zinc/87/82/05/569878205.db2.gz MLSQDOVNEBFKCU-UHFFFAOYSA-N -1 3 450.491 5.041 40 0 JKABHM CC(C)C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 ZINC000216390891 569878629 /nfs/dbraw/zinc/87/86/29/569878629.db2.gz WJNLUMWTPPLERH-QHCPKHFHSA-N -1 3 456.995 5.658 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)cc1Cl ZINC000222738768 569889959 /nfs/dbraw/zinc/88/99/59/569889959.db2.gz SHARFSODLFQECB-UHFFFAOYSA-N -1 3 495.000 5.298 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc2sncc2c1 ZINC000222800359 569891363 /nfs/dbraw/zinc/89/13/63/569891363.db2.gz KNOLJCNVOPQHOW-UHFFFAOYSA-N -1 3 487.990 5.076 40 0 JKABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000224222040 569937059 /nfs/dbraw/zinc/93/70/59/569937059.db2.gz GYOWFQMVJJNEOG-JOCHJYFZSA-N -1 3 460.393 5.142 40 0 JKABHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224408932 569943705 /nfs/dbraw/zinc/94/37/05/569943705.db2.gz TYGHTNMDZLFJFB-UHFFFAOYSA-N -1 3 477.973 5.379 40 0 JKABHM CCCc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000224411338 569943825 /nfs/dbraw/zinc/94/38/25/569943825.db2.gz LBIRCUISPQCRGN-UHFFFAOYSA-N -1 3 487.021 5.211 40 0 JKABHM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224559696 569948468 /nfs/dbraw/zinc/94/84/68/569948468.db2.gz AEQSBOJTVMRCPX-UHFFFAOYSA-N -1 3 450.491 5.041 40 0 JKABHM Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224599109 569950078 /nfs/dbraw/zinc/95/00/78/569950078.db2.gz QTVKZSFACSECJD-RPWUZVMVSA-N -1 3 459.596 6.017 40 0 JKABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccccc1 ZINC000224600776 569950113 /nfs/dbraw/zinc/95/01/13/569950113.db2.gz ACOHBFQBRVNEGZ-FTJBHMTQSA-N -1 3 454.599 5.431 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000224611792 569950656 /nfs/dbraw/zinc/95/06/56/569950656.db2.gz NTKXNVUGAHMPIL-DHIUTWEWSA-N -1 3 480.515 5.774 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000224611743 569950668 /nfs/dbraw/zinc/95/06/68/569950668.db2.gz NTKXNVUGAHMPIL-XZOQPEGZSA-N -1 3 480.515 5.774 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000224612552 569950758 /nfs/dbraw/zinc/95/07/58/569950758.db2.gz GRADUQSDCBGIAI-XZOQPEGZSA-N -1 3 491.414 5.518 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000224615922 569950902 /nfs/dbraw/zinc/95/09/02/569950902.db2.gz VJWJFKOFIBBADL-DHIUTWEWSA-N -1 3 480.014 6.362 40 0 JKABHM Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224619751 569950990 /nfs/dbraw/zinc/95/09/90/569950990.db2.gz XZTHFYWSWYHFPS-RPWUZVMVSA-N -1 3 461.974 6.186 40 0 JKABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000224618252 569950992 /nfs/dbraw/zinc/95/09/92/569950992.db2.gz ILLLVZRIXLHADV-GOTSBHOMSA-N -1 3 482.392 6.531 40 0 JKABHM Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224618782 569951044 /nfs/dbraw/zinc/95/10/44/569951044.db2.gz WYMWESUETDYYPT-ZEQRLZLVSA-N -1 3 461.974 6.186 40 0 JKABHM COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224624438 569951271 /nfs/dbraw/zinc/95/12/71/569951271.db2.gz UCZGDCIVVMAKJR-ZEQRLZLVSA-N -1 3 471.538 5.011 40 0 JKABHM COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224624600 569951297 /nfs/dbraw/zinc/95/12/97/569951297.db2.gz OIFKJERZTUNRHU-BJKOFHAPSA-N -1 3 471.538 5.011 40 0 JKABHM O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224822679 569959207 /nfs/dbraw/zinc/95/92/07/569959207.db2.gz BXPHUNMLJQLJLG-UHFFFAOYSA-N -1 3 498.048 5.057 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccnc1 ZINC000224862883 569960634 /nfs/dbraw/zinc/96/06/34/569960634.db2.gz SKWLHJONOCWEDD-ZEQRLZLVSA-N -1 3 476.005 5.420 40 0 JKABHM Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])nc1 ZINC000224862155 569960668 /nfs/dbraw/zinc/96/06/68/569960668.db2.gz VVKYNRUBZIULJX-XZOQPEGZSA-N -1 3 461.978 5.112 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000224863930 569960704 /nfs/dbraw/zinc/96/07/04/569960704.db2.gz OKEYMPXEYHJSOV-DHIUTWEWSA-N -1 3 481.408 6.062 40 0 JKABHM COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224863679 569960746 /nfs/dbraw/zinc/96/07/46/569960746.db2.gz DROQPNPNOQYWQL-RPWUZVMVSA-N -1 3 476.989 5.417 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1 ZINC000224865548 569960808 /nfs/dbraw/zinc/96/08/08/569960808.db2.gz MOTVIZLFCXWEKW-FGZHOGPDSA-N -1 3 450.951 5.061 40 0 JKABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1C1CCCCC1 ZINC000224867187 569960885 /nfs/dbraw/zinc/96/08/85/569960885.db2.gz PZUIWBOESFAGRZ-DQEYMECFSA-N -1 3 481.065 6.541 40 0 JKABHM Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224876423 569961330 /nfs/dbraw/zinc/96/13/30/569961330.db2.gz YXSDZSHLAJANOK-BJKOFHAPSA-N -1 3 460.990 5.717 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000224877053 569961337 /nfs/dbraw/zinc/96/13/37/569961337.db2.gz YEPNFMQNXPOASS-PKTZIBPZSA-N -1 3 464.953 5.548 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 ZINC000224877301 569961426 /nfs/dbraw/zinc/96/14/26/569961426.db2.gz HLXDEYIVCFHSFW-XZOQPEGZSA-N -1 3 464.953 5.548 40 0 JKABHM COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224878019 569961443 /nfs/dbraw/zinc/96/14/43/569961443.db2.gz SVTYFIYKRFUPJY-BJKOFHAPSA-N -1 3 476.989 5.417 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000224877405 569961458 /nfs/dbraw/zinc/96/14/58/569961458.db2.gz JZGBDZNYRJNNSJ-GOTSBHOMSA-N -1 3 464.953 5.548 40 0 JKABHM Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1C ZINC000224879506 569961535 /nfs/dbraw/zinc/96/15/35/569961535.db2.gz MUFOXYZHKPPQTP-DQEYMECFSA-N -1 3 475.017 6.025 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000224879840 569961569 /nfs/dbraw/zinc/96/15/69/569961569.db2.gz PMBZMJLVECMUMJ-FGZHOGPDSA-N -1 3 482.396 5.457 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000224879941 569961596 /nfs/dbraw/zinc/96/15/96/569961596.db2.gz CYRWJXSENHBJGF-SXOMAYOGSA-N -1 3 497.023 6.562 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000224880377 569961611 /nfs/dbraw/zinc/96/16/11/569961611.db2.gz OLJQXJPLURXMPI-DHIUTWEWSA-N -1 3 480.014 6.362 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000224880798 569961640 /nfs/dbraw/zinc/96/16/40/569961640.db2.gz COLOZKIDERJHGH-PKTZIBPZSA-N -1 3 465.937 6.017 40 0 JKABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 ZINC000224885046 569961833 /nfs/dbraw/zinc/96/18/33/569961833.db2.gz VZXOWPTWGIHRQN-PKTZIBPZSA-N -1 3 453.011 5.924 40 0 JKABHM Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224885996 569961924 /nfs/dbraw/zinc/96/19/24/569961924.db2.gz CCNADLNGJALQDX-IZZNHLLZSA-N -1 3 489.044 6.334 40 0 JKABHM CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408594331 569965367 /nfs/dbraw/zinc/96/53/67/569965367.db2.gz OMYHZXPWPLYGDF-NRFANRHFSA-N -1 3 477.413 5.084 40 0 JKABHM CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408594332 569965381 /nfs/dbraw/zinc/96/53/81/569965381.db2.gz OMYHZXPWPLYGDF-OAQYLSRUSA-N -1 3 477.413 5.084 40 0 JKABHM O=C(CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3)Nc1ccc(Br)c(Cl)c1 ZINC000408595546 569966181 /nfs/dbraw/zinc/96/61/81/569966181.db2.gz JUMOJCIVLGGLND-UHFFFAOYSA-N -1 3 484.828 5.422 40 0 JKABHM CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408596249 569966710 /nfs/dbraw/zinc/96/67/10/569966710.db2.gz RVUOWCQRBADSDS-OAQYLSRUSA-N -1 3 491.440 5.393 40 0 JKABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1)C(=O)NC1CCCCC1 ZINC000408596696 569966996 /nfs/dbraw/zinc/96/69/96/569966996.db2.gz XMVHWLNRVBZBBO-AWEZNQCLSA-N -1 3 471.406 5.010 40 0 JKABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408597587 569967484 /nfs/dbraw/zinc/96/74/84/569967484.db2.gz ZMPSFQLSDWMTFX-UHFFFAOYSA-N -1 3 472.994 5.338 40 0 JKABHM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000224986898 569967573 /nfs/dbraw/zinc/96/75/73/569967573.db2.gz VJFIAOAGUYXPIT-UHFFFAOYSA-N -1 3 479.385 5.590 40 0 JKABHM Cc1c(Cl)cccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408597908 569967824 /nfs/dbraw/zinc/96/78/24/569967824.db2.gz WJCLPJLSZPKOQZ-HXUWFJFHSA-N -1 3 497.831 5.484 40 0 JKABHM Cc1cc(C)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000408598285 569967985 /nfs/dbraw/zinc/96/79/85/569967985.db2.gz YTTBJDBWWILZSH-NRFANRHFSA-N -1 3 491.440 5.447 40 0 JKABHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000224998164 569968230 /nfs/dbraw/zinc/96/82/30/569968230.db2.gz LYIBNYMVUYOIDB-UHFFFAOYSA-N -1 3 469.777 6.008 40 0 JKABHM CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408601045 569968945 /nfs/dbraw/zinc/96/89/45/569968945.db2.gz DUTMHAPFMWXZGP-HXUWFJFHSA-N -1 3 495.453 5.244 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cc(Br)ccc1Cl ZINC000225070517 569973301 /nfs/dbraw/zinc/97/33/01/569973301.db2.gz SVHYLZNEHRDWPU-UHFFFAOYSA-N -1 3 483.746 5.295 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)cc1 ZINC000225070980 569973436 /nfs/dbraw/zinc/97/34/36/569973436.db2.gz HXWIEXBAKRQEKB-UHFFFAOYSA-N -1 3 479.783 5.464 40 0 JKABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408618319 569976645 /nfs/dbraw/zinc/97/66/45/569976645.db2.gz FIHUJPAJGQENMB-AWEZNQCLSA-N -1 3 495.384 5.100 40 0 JKABHM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000408620907 569978081 /nfs/dbraw/zinc/97/80/81/569978081.db2.gz KFWRNDMXUPMTSB-UHFFFAOYSA-N -1 3 462.493 5.629 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1cc2ccccc2o1 ZINC000408623816 569979460 /nfs/dbraw/zinc/97/94/60/569979460.db2.gz ZLFKRLOAEXNXCL-UHFFFAOYSA-N -1 3 461.326 5.793 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC)cc3)c(Cl)c2)cc1 ZINC000408625296 569980076 /nfs/dbraw/zinc/98/00/76/569980076.db2.gz RTYWRPPCMXDCEK-UHFFFAOYSA-N -1 3 488.993 5.119 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3CC)c(Cl)c2)cc1 ZINC000408626217 569980523 /nfs/dbraw/zinc/98/05/23/569980523.db2.gz VAHMCOSFJBPTSZ-UHFFFAOYSA-N -1 3 488.993 5.119 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc45)o3)cc2)c(C)c1 ZINC000408628485 569981497 /nfs/dbraw/zinc/98/14/97/569981497.db2.gz YDHLIQRHZZLPDQ-UHFFFAOYSA-N -1 3 470.550 6.256 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000408635911 569986177 /nfs/dbraw/zinc/98/61/77/569986177.db2.gz JMUJSTGOTZCEJT-UHFFFAOYSA-N -1 3 496.972 5.320 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408674611 570009214 /nfs/dbraw/zinc/00/92/14/570009214.db2.gz ANIYXCSPVLMJNG-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000408674572 570009267 /nfs/dbraw/zinc/00/92/67/570009267.db2.gz AFQOQWARANVGBE-UHFFFAOYSA-N -1 3 452.576 5.245 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(C)c2)cc1 ZINC000408674907 570009703 /nfs/dbraw/zinc/00/97/03/570009703.db2.gz MEEUFAFRMBUSLP-UHFFFAOYSA-N -1 3 482.602 5.137 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3CC)c(C)c2)cc1 ZINC000408674877 570009736 /nfs/dbraw/zinc/00/97/36/570009736.db2.gz LJVRXWMSXWZPJA-UHFFFAOYSA-N -1 3 482.602 5.083 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(C)c2)cc1C ZINC000408675037 570009878 /nfs/dbraw/zinc/00/98/78/570009878.db2.gz PMTPFHWVEWITOA-UHFFFAOYSA-N -1 3 458.967 5.084 40 0 JKABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408675806 570010427 /nfs/dbraw/zinc/01/04/27/570010427.db2.gz KQNDJROOFPVHJF-UHFFFAOYSA-N -1 3 488.565 5.606 40 0 JKABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000408676437 570010625 /nfs/dbraw/zinc/01/06/25/570010625.db2.gz NZLMGYZQOFEUNZ-UHFFFAOYSA-N -1 3 458.967 5.029 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)cc1 ZINC000408677098 570010854 /nfs/dbraw/zinc/01/08/54/570010854.db2.gz ALRGUCCMMCXMQA-UHFFFAOYSA-N -1 3 456.589 5.249 40 0 JKABHM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1C ZINC000408678905 570011496 /nfs/dbraw/zinc/01/14/96/570011496.db2.gz JPPJFCIXUXJRBG-QGZVFWFLSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Cl)cc2Cl)=C([O-])c2ccccc2)cc1 ZINC000408680025 570011950 /nfs/dbraw/zinc/01/19/50/570011950.db2.gz FVBLQCIIENQQEQ-JOCHJYFZSA-N -1 3 461.366 5.600 40 0 JKABHM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c(C)c1 ZINC000408680554 570012300 /nfs/dbraw/zinc/01/23/00/570012300.db2.gz NJXCMFMKBSBOBA-KRWDZBQOSA-N -1 3 458.967 5.164 40 0 JKABHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)=C([O-])c2ccc(Br)cc2)cc1 ZINC000408681648 570012584 /nfs/dbraw/zinc/01/25/84/570012584.db2.gz HYQKVZRSOVFDTJ-JOCHJYFZSA-N -1 3 471.372 5.056 40 0 JKABHM COc1cccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408683167 570013185 /nfs/dbraw/zinc/01/31/85/570013185.db2.gz KPIXEAKOXKEKIQ-QHCPKHFHSA-N -1 3 491.392 5.609 40 0 JKABHM Cc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408683655 570013264 /nfs/dbraw/zinc/01/32/64/570013264.db2.gz LWUMUNANGPZOGG-HSZRJFAPSA-N -1 3 475.393 5.908 40 0 JKABHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Br)cc2)=C([O-])c2ccccc2)cc1 ZINC000408686555 570014109 /nfs/dbraw/zinc/01/41/09/570014109.db2.gz RVLFZVVDMHISNN-QFIPXVFZSA-N -1 3 471.372 5.056 40 0 JKABHM Cc1ccc(C(=O)CC(=C([O-])c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408688693 570014703 /nfs/dbraw/zinc/01/47/03/570014703.db2.gz WTHTXJFAHRXURW-QHCPKHFHSA-N -1 3 485.399 5.364 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)c(C)c1 ZINC000408694237 570016777 /nfs/dbraw/zinc/01/67/77/570016777.db2.gz GWWUTUPCNNDBHU-UHFFFAOYSA-N -1 3 454.617 5.857 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cc2)c(C)c1 ZINC000408695591 570017982 /nfs/dbraw/zinc/01/79/82/570017982.db2.gz WNXJOLCRFIBTTA-HXUWFJFHSA-N -1 3 452.576 5.127 40 0 JKABHM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408695740 570018029 /nfs/dbraw/zinc/01/80/29/570018029.db2.gz YAOSSOXNAHCKAH-QFIPXVFZSA-N -1 3 472.994 5.554 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cc2)c(C)c1 ZINC000408695671 570018121 /nfs/dbraw/zinc/01/81/21/570018121.db2.gz SWLWXDLLCTXEJJ-FQEVSTJZSA-N -1 3 452.576 5.127 40 0 JKABHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408696085 570018321 /nfs/dbraw/zinc/01/83/21/570018321.db2.gz ZVYLIDRTSOWLEH-QFIPXVFZSA-N -1 3 456.539 5.039 40 0 JKABHM O=c1sc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc2n1Cc1ccc(Cl)cc1 ZINC000225783529 570021462 /nfs/dbraw/zinc/02/14/62/570021462.db2.gz TVFSOBCXEPZKHC-UHFFFAOYSA-N -1 3 499.828 5.872 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 ZINC000408702080 570022297 /nfs/dbraw/zinc/02/22/97/570022297.db2.gz BLYAWFUXRSKSQX-KRWDZBQOSA-N -1 3 488.993 5.172 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 ZINC000408705696 570024762 /nfs/dbraw/zinc/02/47/62/570024762.db2.gz LONXMGHJFYNFNH-SFHVURJKSA-N -1 3 472.994 5.472 40 0 JKABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408705912 570024947 /nfs/dbraw/zinc/02/49/47/570024947.db2.gz QFERNWUSLMGBPP-AWEZNQCLSA-N -1 3 495.384 5.209 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000408706036 570024995 /nfs/dbraw/zinc/02/49/95/570024995.db2.gz TZUGWACDBNQAMY-UHFFFAOYSA-N -1 3 472.994 5.555 40 0 JKABHM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc(C)c1Cl ZINC000408706202 570025103 /nfs/dbraw/zinc/02/51/03/570025103.db2.gz XBVGETJEFCXUPH-MRXNPFEDSA-N -1 3 493.412 5.817 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000408706241 570025121 /nfs/dbraw/zinc/02/51/21/570025121.db2.gz YKALMISLYMXTOF-IBGZPJMESA-N -1 3 466.603 5.499 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000408706242 570025136 /nfs/dbraw/zinc/02/51/36/570025136.db2.gz YKALMISLYMXTOF-LJQANCHMSA-N -1 3 466.603 5.499 40 0 JKABHM CC(C)Oc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)c2ccccc12 ZINC000225928765 570028188 /nfs/dbraw/zinc/02/81/88/570028188.db2.gz IPRDIGOCWXPOIB-UHFFFAOYSA-N -1 3 490.984 5.010 40 0 JKABHM Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)c2)cs1 ZINC000226084288 570036674 /nfs/dbraw/zinc/03/66/74/570036674.db2.gz UIFMOLIGKMUMQF-UHFFFAOYSA-N -1 3 497.573 5.076 40 0 JKABHM Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc(Br)c1[O-] ZINC000226243412 570037274 /nfs/dbraw/zinc/03/72/74/570037274.db2.gz BUIGTNVPTUDYQT-QPJJXVBHSA-N -1 3 467.146 6.682 40 0 JKABHM COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc(Cl)c1[O-] ZINC000408810246 570048927 /nfs/dbraw/zinc/04/89/27/570048927.db2.gz ILLOEIGPIGFPHN-GUHZEUAUSA-N -1 3 458.003 6.108 40 0 JKABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@H]1c1c(OC)ccc2ccccc21 ZINC000408869624 570059179 /nfs/dbraw/zinc/05/91/79/570059179.db2.gz SMWBUHIDLINXTE-XMMPIXPASA-N -1 3 490.581 5.317 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(Cl)cc1Cl ZINC000408905980 570070734 /nfs/dbraw/zinc/07/07/34/570070734.db2.gz BPPMFCNONIBMHF-UHFFFAOYSA-N -1 3 490.195 6.353 40 0 JKABHM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)c1 ZINC000408907234 570071140 /nfs/dbraw/zinc/07/11/40/570071140.db2.gz NDYQVYGTKNRNLO-UHFFFAOYSA-N -1 3 451.331 5.055 40 0 JKABHM Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000408920180 570076796 /nfs/dbraw/zinc/07/67/96/570076796.db2.gz AHWZCCFOJXEALH-UHFFFAOYSA-N -1 3 468.644 5.593 40 0 JKABHM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408920975 570077172 /nfs/dbraw/zinc/07/71/72/570077172.db2.gz AFHSYKGKMPGPLG-VZUCSPMQSA-N -1 3 491.352 5.175 40 0 JKABHM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000408921817 570077512 /nfs/dbraw/zinc/07/75/12/570077512.db2.gz XYADAYMEBSUNSK-UHFFFAOYSA-N -1 3 454.617 5.285 40 0 JKABHM O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408923182 570077844 /nfs/dbraw/zinc/07/78/44/570077844.db2.gz UDWPFUMPOQDWAE-UHFFFAOYSA-N -1 3 485.776 5.465 40 0 JKABHM Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000408925124 570078314 /nfs/dbraw/zinc/07/83/14/570078314.db2.gz JVAIZINBGFMDPV-UHFFFAOYSA-N -1 3 454.617 5.285 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Cl)cc3)cc2)cc1C ZINC000408926183 570078651 /nfs/dbraw/zinc/07/86/51/570078651.db2.gz PXAGGZKKMGYMSH-UHFFFAOYSA-N -1 3 475.035 5.630 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000408958559 570085094 /nfs/dbraw/zinc/08/50/94/570085094.db2.gz YYVVXVWNQJXSTO-YKSBVNFPSA-N -1 3 460.496 5.031 40 0 JKABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000408957039 570085148 /nfs/dbraw/zinc/08/51/48/570085148.db2.gz SDGDJHNJXYYJDB-BWKNWUBXSA-N -1 3 474.523 5.421 40 0 JKABHM O=C1[N-][C@@H](c2ccc(OCc3ccccc3Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000408975453 570089691 /nfs/dbraw/zinc/08/96/91/570089691.db2.gz KMZXTNVVUBPRCK-NRFANRHFSA-N -1 3 480.014 6.355 40 0 JKABHM CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc(I)c1O ZINC000409003790 570097084 /nfs/dbraw/zinc/09/70/84/570097084.db2.gz UXFNCKKLQQOCDD-UHFFFAOYSA-N -1 3 482.343 5.042 40 0 JKABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)N2 ZINC000409055320 570111483 /nfs/dbraw/zinc/11/14/83/570111483.db2.gz KVMAYOAHJFAIPR-IUBQTAPSSA-N -1 3 474.523 5.277 40 0 JKABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)N2 ZINC000409055323 570111505 /nfs/dbraw/zinc/11/15/05/570111505.db2.gz KVMAYOAHJFAIPR-SAQVGAHLSA-N -1 3 474.523 5.277 40 0 JKABHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000409096890 570126956 /nfs/dbraw/zinc/12/69/56/570126956.db2.gz FFGITMJJOZETCR-PRCFCKQXSA-N -1 3 454.533 5.409 40 0 JKABHM COc1cccc2c1OC(C)(C)[C@H]1CC[C@H](C3CCN(Cc4ccccc4OCC(=O)[O-])CC3)O[C@H]21 ZINC000257288307 570135146 /nfs/dbraw/zinc/13/51/46/570135146.db2.gz PTRVJMKEAKKNQT-CAKYRVLISA-N -1 3 495.616 5.078 40 0 JKABHM CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000409188418 570161106 /nfs/dbraw/zinc/16/11/06/570161106.db2.gz HKXBTPFTXUXZLF-OQLLNIDSSA-N -1 3 454.729 5.448 40 0 JKABHM O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)S1 ZINC000409131540 570140369 /nfs/dbraw/zinc/14/03/69/570140369.db2.gz JIGNEFHSRQGVKL-NVMNQCDNSA-N -1 3 477.767 5.460 40 0 JKABHM Cc1ccc(OCCn2cc(C=C3SC(=O)[N-]C3=O)c3cc(Br)ccc32)cc1C ZINC000409138918 570143590 /nfs/dbraw/zinc/14/35/90/570143590.db2.gz JWGYPFGWHFNPHT-JMIUGGIZSA-N -1 3 471.376 5.424 40 0 JKABHM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000409168424 570154042 /nfs/dbraw/zinc/15/40/42/570154042.db2.gz REFZWQWDEMPZBX-KGVSQERTSA-N -1 3 481.788 6.100 40 0 JKABHM O=S(=O)([N-]CCSCc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 ZINC000409174942 570156428 /nfs/dbraw/zinc/15/64/28/570156428.db2.gz WDGLQZFUUMIOIY-UHFFFAOYSA-N -1 3 461.255 5.029 40 0 JKABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000409175230 570156641 /nfs/dbraw/zinc/15/66/41/570156641.db2.gz ZEVQNBXNJQYSGF-UHFFFAOYSA-N -1 3 497.403 6.714 40 0 JKABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(C)cc3)cc2)cc1 ZINC000409177115 570157419 /nfs/dbraw/zinc/15/74/19/570157419.db2.gz AUHMHYQORARWFP-SFHVURJKSA-N -1 3 470.616 5.314 40 0 JKABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)[C@]2([O-])C(F)(F)F ZINC000409181638 570159508 /nfs/dbraw/zinc/15/95/08/570159508.db2.gz FGPBTHAYZWSYAP-FTGWLVSGSA-N -1 3 474.523 5.277 40 0 JKABHM C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)c3ccccc3)cc1)[C@]2([O-])C(F)(F)F ZINC000409181640 570159522 /nfs/dbraw/zinc/15/95/22/570159522.db2.gz FGPBTHAYZWSYAP-IUBQTAPSSA-N -1 3 474.523 5.277 40 0 JKABHM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000409184306 570160368 /nfs/dbraw/zinc/16/03/68/570160368.db2.gz XDBUNULLXYIWRI-UHFFFAOYSA-N -1 3 454.617 5.534 40 0 JKABHM CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(Cl)c1[O-] ZINC000409222849 570175050 /nfs/dbraw/zinc/17/50/50/570175050.db2.gz DKJVHEUXEVMSFE-MFOYZWKCSA-N -1 3 496.766 5.126 40 0 JKABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1ccccc1Cl ZINC000409249469 570185446 /nfs/dbraw/zinc/18/54/46/570185446.db2.gz IPTRWIPJRHAPKW-UHFFFAOYSA-N -1 3 466.946 5.824 40 0 JKABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)cc(I)c1OCc1ccccc1 ZINC000409256852 570187054 /nfs/dbraw/zinc/18/70/54/570187054.db2.gz NVFRYMLAKTXSPE-UHFFFAOYSA-N -1 3 484.293 5.195 40 0 JKABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc(Br)c1OCc1ccccn1 ZINC000409267026 570188618 /nfs/dbraw/zinc/18/86/18/570188618.db2.gz RKOGTPQDDFYWOH-UHFFFAOYSA-N -1 3 498.402 5.688 40 0 JKABHM CCn1c(SCC(=O)Nc2ccccc2C(F)F)nnc1-c1cc(Br)ccc1[O-] ZINC000408542800 570191964 /nfs/dbraw/zinc/19/19/64/570191964.db2.gz KXDHJDXYSJIMIR-UHFFFAOYSA-N -1 3 483.338 5.102 40 0 JKABHM Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408545455 570192804 /nfs/dbraw/zinc/19/28/04/570192804.db2.gz QULSOSIGSNFOAY-PXNSSMCTSA-N -1 3 450.608 5.044 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(=O)c1ccccc1F ZINC000408550786 570195021 /nfs/dbraw/zinc/19/50/21/570195021.db2.gz HGFNRTXRMWBYJL-UHFFFAOYSA-N -1 3 469.321 5.194 40 0 JKABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)cc1Cl ZINC000408550867 570195149 /nfs/dbraw/zinc/19/51/49/570195149.db2.gz FWPBTOXYMZZQGI-UHFFFAOYSA-N -1 3 496.972 5.320 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408551431 570195261 /nfs/dbraw/zinc/19/52/61/570195261.db2.gz KTMLMZNPPAMWOG-UHFFFAOYSA-N -1 3 485.776 5.709 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000408554034 570196085 /nfs/dbraw/zinc/19/60/85/570196085.db2.gz BFGSFUIGVLSBDN-UHFFFAOYSA-N -1 3 452.576 5.399 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1NC(=O)c1cccc(Cl)c1 ZINC000408554079 570196116 /nfs/dbraw/zinc/19/61/16/570196116.db2.gz BKUQBOXOQVFAID-UHFFFAOYSA-N -1 3 472.994 5.663 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408554583 570196358 /nfs/dbraw/zinc/19/63/58/570196358.db2.gz CKPKMIFCBJIPOI-UHFFFAOYSA-N -1 3 458.967 5.409 40 0 JKABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408556329 570197359 /nfs/dbraw/zinc/19/73/59/570197359.db2.gz HTLJEVMMGKDWFG-UHFFFAOYSA-N -1 3 499.803 6.017 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1 ZINC000408556617 570197562 /nfs/dbraw/zinc/19/75/62/570197562.db2.gz ITWLXJIDJYYMAY-UHFFFAOYSA-N -1 3 465.358 5.445 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557149 570198064 /nfs/dbraw/zinc/19/80/64/570198064.db2.gz LKPXFBLSQYYDBN-UHFFFAOYSA-N -1 3 479.385 5.754 40 0 JKABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)NC1CCCCC1 ZINC000408557880 570198604 /nfs/dbraw/zinc/19/86/04/570198604.db2.gz OKVLKZLAQNAPDH-UHFFFAOYSA-N -1 3 464.587 5.651 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557902 570198614 /nfs/dbraw/zinc/19/86/14/570198614.db2.gz OQSWSIYNRFYHRQ-UHFFFAOYSA-N -1 3 458.967 5.354 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558293 570198809 /nfs/dbraw/zinc/19/88/09/570198809.db2.gz QFVWGNRHDSYNKT-UHFFFAOYSA-N -1 3 458.967 5.354 40 0 JKABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000408559415 570199777 /nfs/dbraw/zinc/19/97/77/570199777.db2.gz WXHWQEKDZZNXMT-UHFFFAOYSA-N -1 3 487.021 6.134 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559772 570200047 /nfs/dbraw/zinc/20/00/47/570200047.db2.gz YSQVTRBWIGPOMX-UHFFFAOYSA-N -1 3 479.385 5.754 40 0 JKABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccccc1 ZINC000408561644 570201149 /nfs/dbraw/zinc/20/11/49/570201149.db2.gz UNLQZIJFNAHXSA-UHFFFAOYSA-N -1 3 488.565 5.931 40 0 JKABHM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408562179 570201609 /nfs/dbraw/zinc/20/16/09/570201609.db2.gz NWSDHHHLWQVSSH-UHFFFAOYSA-N -1 3 483.348 5.259 40 0 JKABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1cccc2ccccc21 ZINC000408562519 570201880 /nfs/dbraw/zinc/20/18/80/570201880.db2.gz QNNGEEKAKFPPPB-UHFFFAOYSA-N -1 3 484.936 5.451 40 0 JKABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000408583534 570207344 /nfs/dbraw/zinc/20/73/44/570207344.db2.gz ICRLOAVSLDPBHT-UHFFFAOYSA-N -1 3 486.593 5.080 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 ZINC000408584281 570207504 /nfs/dbraw/zinc/20/75/04/570207504.db2.gz NTWCEELLZMFTSB-UHFFFAOYSA-N -1 3 479.385 5.429 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000408584495 570207587 /nfs/dbraw/zinc/20/75/87/570207587.db2.gz QNOMWWVCAXHLHD-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM O=C(Nc1ccc(Cl)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408586502 570208179 /nfs/dbraw/zinc/20/81/79/570208179.db2.gz AKZFIDFPIBYBQM-IBGZPJMESA-N -1 3 483.804 5.175 40 0 JKABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1Cl ZINC000408588326 570208521 /nfs/dbraw/zinc/20/85/21/570208521.db2.gz FORQYJXUITUMBP-UHFFFAOYSA-N -1 3 499.803 5.774 40 0 JKABHM Cc1cc(Cl)ccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408589744 570208857 /nfs/dbraw/zinc/20/88/57/570208857.db2.gz FHVVMYDOERAFMR-FQEVSTJZSA-N -1 3 497.831 5.484 40 0 JKABHM O=C(Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408589768 570208859 /nfs/dbraw/zinc/20/88/59/570208859.db2.gz FLFLHBYDHFUPQL-LJQANCHMSA-N -1 3 483.804 5.175 40 0 JKABHM