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-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cc(Cl)cc(Br)c1[O-] ZINC000108423156 1069718406 /nfs/dbraw/zinc/71/84/06/1069718406.db2.gz HMIJORFPVLFJDF-UHFFFAOYSA-N -3 3 565.855 6.388 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Br)cc1 ZINC000408914682 1071011277 /nfs/dbraw/zinc/01/12/77/1071011277.db2.gz XCTIYGKSOACCLW-UHFFFAOYSA-N -2 3 569.808 5.723 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408705940 1071433895 /nfs/dbraw/zinc/43/38/95/1071433895.db2.gz QSAMHRKHOCYQTA-UHFFFAOYSA-N -2 3 611.664 5.188 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715057 1071472596 /nfs/dbraw/zinc/47/25/96/1071472596.db2.gz ZJRBICFXOXVGEO-UHFFFAOYSA-N -2 3 594.180 5.680 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714827 1071473484 /nfs/dbraw/zinc/47/34/84/1071473484.db2.gz PQMSWNICEAGGNR-UHFFFAOYSA-N -2 3 587.789 5.643 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)cc2)c1 ZINC000408714570 1071476048 /nfs/dbraw/zinc/47/60/48/1071476048.db2.gz FRANPWOFYFFQJQ-UHFFFAOYSA-N -2 3 619.787 5.044 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714606 1071476237 /nfs/dbraw/zinc/47/62/37/1071476237.db2.gz JWTKSOMLTNXGSV-UHFFFAOYSA-N -2 3 577.725 5.021 40 0 KKABHL O=c1[n-]c(-c2cc(I)cc(I)c2[O-])nc2sc3c(c21)CCCCCC3 ZINC000408994037 1071561610 /nfs/dbraw/zinc/56/16/10/1071561610.db2.gz YDAHIYXGQPRCTP-UHFFFAOYSA-N -2 3 578.213 5.638 40 0 KKABHL O=c1[n-]c(-c2cc(I)c([O-])c(I)c2)nc2sc3c(c21)CCCCC3 ZINC000408993192 1071568264 /nfs/dbraw/zinc/56/82/64/1071568264.db2.gz VQCIYQVNCAXFFH-UHFFFAOYSA-N -2 3 564.186 5.248 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409407265 1072754380 /nfs/dbraw/zinc/75/43/80/1072754380.db2.gz DYWXXAPKLAIQPE-UHFFFAOYSA-N -2 3 575.590 5.559 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2Cl)c1 ZINC000409412156 1072790576 /nfs/dbraw/zinc/79/05/76/1072790576.db2.gz SGHIUIFVJDWEMW-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2Cl)c1 ZINC000409411897 1072792865 /nfs/dbraw/zinc/79/28/65/1072792865.db2.gz NCGMPCICFHFRNE-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2Cl)cc1 ZINC000409410883 1072801556 /nfs/dbraw/zinc/80/15/56/1072801556.db2.gz RVWIWLFQWJTLEL-UHFFFAOYSA-N -2 3 574.055 5.641 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1I ZINC000409410452 1072805217 /nfs/dbraw/zinc/80/52/17/1072805217.db2.gz MYYDESUKLLUDSE-UHFFFAOYSA-N -2 3 646.834 5.574 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2Cl)cc1 ZINC000409409881 1072809224 /nfs/dbraw/zinc/80/92/24/1072809224.db2.gz JUDHHTYZUQBVMO-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c(C)c1 ZINC000409409554 1072810618 /nfs/dbraw/zinc/81/06/18/1072810618.db2.gz HYGRNOFWWBZPGB-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL CCOC(=O)c1c(C)[nH]c2c1c1c([O-])c3c([O-])c(C)c4c(c23)C(=O)[C@](C)(O4)OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N1 ZINC001260493780 1072918368 /nfs/dbraw/zinc/91/83/68/1072918368.db2.gz QHJZCLDQJWBCOB-ZRQAJHGPSA-N -2 3 806.906 6.015 40 0 KKABHL O=C1OC(c2ccc([O-])c(Cl)c2)(c2ccc([O-])c(Cl)c2)c2c1c(Cl)c(Cl)c(Cl)c2Cl ZINC000005049600 552493030 /nfs/dbraw/zinc/49/30/30/552493030.db2.gz XFWSRGZAWSMXDF-UHFFFAOYSA-N -2 3 524.998 7.481 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000020107751 553690547 /nfs/dbraw/zinc/69/05/47/553690547.db2.gz DHXFSZUDUQZILQ-UHFFFAOYSA-N -2 3 510.593 5.089 40 0 KKABHL [O-]c1c(Br)cc(Br)cc1Oc1c([O-])c(Br)c(Br)c(Br)c1Br ZINC000027558934 553834900 /nfs/dbraw/zinc/83/49/00/553834900.db2.gz OMYZFHYKAPRFFQ-UHFFFAOYSA-N -2 3 675.585 7.465 40 0 KKABHL CN(C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc21)P(=O)([O-])[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000027872331 553836806 /nfs/dbraw/zinc/83/68/06/553836806.db2.gz GNOZQRKYZJSIPZ-UUWRZZSWSA-N -2 3 620.642 6.472 40 0 in-vitro KKABHL O=C1[C@H]2[C@H](C(=O)N1c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C1C=CC2[C@H]2C(=O)N(c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)C(=O)[C@@H]21 ZINC000097976834 553973096 /nfs/dbraw/zinc/97/30/96/553973096.db2.gz UWODHPLZLZIJFE-JMCFDMAJSA-N -2 3 777.664 5.322 40 0 KKABHL CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000038491911 554274682 /nfs/dbraw/zinc/27/46/82/554274682.db2.gz FJAQNRBDVKIIKK-XGFBUNCHSA-N -2 3 697.137 5.370 40 0 KKABHL O=C(c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccc2ccccc2c1 ZINC000100351391 554331067 /nfs/dbraw/zinc/33/10/67/554331067.db2.gz UUUPUHLWKDQKOO-ILBGXUMGSA-N -2 3 558.819 5.873 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)cc2)cc1 ZINC000059922915 554472688 /nfs/dbraw/zinc/47/26/88/554472688.db2.gz DOARRWUFEDHPJW-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2Cl)cc1 ZINC000059923274 554473273 /nfs/dbraw/zinc/47/32/73/554473273.db2.gz UQWVOQCQDUEKOL-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)c(OC)c1 ZINC000059923800 554474003 /nfs/dbraw/zinc/47/40/03/554474003.db2.gz URXPCNTYYGDREV-UHFFFAOYSA-N -2 3 602.090 5.211 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000060018468 554489645 /nfs/dbraw/zinc/48/96/45/554489645.db2.gz JVTCWYJZQQWJBF-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=S(=O)(CCCCCCCCCCCCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-])[N-]c1cc(Cl)ccc1[O-] ZINC000100921924 554521754 /nfs/dbraw/zinc/52/17/54/554521754.db2.gz BSQCBEQLEUEQOY-UHFFFAOYSA-N -4 3 581.584 6.489 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(Nc3ccccc3)[n-]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000100998661 554551562 /nfs/dbraw/zinc/55/15/62/554551562.db2.gz HASRIPWUGSAWNO-WAINPOFTSA-N -2 3 595.663 5.523 40 0 KKABHL Cc1c(C(=O)[O-])c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Cl)cc2n1S(=O)(=O)c1ccc(Cl)cc1 ZINC000102576770 554971831 /nfs/dbraw/zinc/97/18/31/554971831.db2.gz HBVAKLYJMWYTNK-UHFFFAOYSA-N -2 3 573.863 5.646 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(Br)cc1 ZINC000105005385 571389130 /nfs/dbraw/zinc/38/91/30/571389130.db2.gz GWNNRDOZOCOOHH-UHFFFAOYSA-N -2 3 536.256 5.358 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000105551314 571407487 /nfs/dbraw/zinc/40/74/87/571407487.db2.gz VLGWXXZUCAFJCZ-UHFFFAOYSA-N -2 3 589.617 5.868 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000106205609 571411654 /nfs/dbraw/zinc/41/16/54/571411654.db2.gz HHUGYYPYNVQMSX-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2Cl)c(C)c1 ZINC000107759561 571421181 /nfs/dbraw/zinc/42/11/81/571421181.db2.gz XHRHWWJKNGIBFL-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)ccc1C ZINC000107919297 571421685 /nfs/dbraw/zinc/42/16/85/571421685.db2.gz OCAONWIIKWUZIE-UHFFFAOYSA-N -2 3 603.644 6.176 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1 ZINC000108058191 571422131 /nfs/dbraw/zinc/42/21/31/571422131.db2.gz RGLDBJPBAZMGFM-UHFFFAOYSA-N -2 3 593.727 5.864 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)ccc1C ZINC000108254712 571422911 /nfs/dbraw/zinc/42/29/11/571422911.db2.gz AQXVXLAXSOOQKR-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2C)c1C ZINC000108324753 571423340 /nfs/dbraw/zinc/42/33/40/571423340.db2.gz JKPZCAJCZUHAKT-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000109642187 571429735 /nfs/dbraw/zinc/42/97/35/571429735.db2.gz GFYXBQUEUMAQJD-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c(OC)c1 ZINC000109689928 571429800 /nfs/dbraw/zinc/42/98/00/571429800.db2.gz JJHJFWAQHRRRHU-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2)cc1 ZINC000109731383 571430002 /nfs/dbraw/zinc/43/00/02/571430002.db2.gz MHUFIKIDZCAAGW-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000109796744 571430075 /nfs/dbraw/zinc/43/00/75/571430075.db2.gz IVBMBHGAGQZTBU-UHFFFAOYSA-N -2 3 593.727 5.783 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2)cc1 ZINC000110240853 571430856 /nfs/dbraw/zinc/43/08/56/571430856.db2.gz HTZABAIROPPVTR-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2C)cc1 ZINC000113619359 571440876 /nfs/dbraw/zinc/44/08/76/571440876.db2.gz PKNFFTULMLLGPA-UHFFFAOYSA-N -2 3 614.543 5.920 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)c(C)c1 ZINC000113620527 571440997 /nfs/dbraw/zinc/44/09/97/571440997.db2.gz BWFOVRMHJLYKQL-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000139685452 571453411 /nfs/dbraw/zinc/45/34/11/571453411.db2.gz VVLWISGNAUNUDL-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000140109420 571455176 /nfs/dbraw/zinc/45/51/76/571455176.db2.gz DCSKBQOXGZWNDU-UHFFFAOYSA-N -2 3 586.091 5.511 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4Cl)cc3)ccc2Cl)c1 ZINC000150425953 571490224 /nfs/dbraw/zinc/49/02/24/571490224.db2.gz UPDGNWDLUYNLPS-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)cc2Cl)cc1 ZINC000215966777 571589880 /nfs/dbraw/zinc/58/98/80/571589880.db2.gz LWIFRKXGGHWGPE-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)c2)cc1 ZINC000216213484 571593451 /nfs/dbraw/zinc/59/34/51/571593451.db2.gz WBZNMUMFAQFHTR-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)c1 ZINC000408542775 572211130 /nfs/dbraw/zinc/21/11/30/572211130.db2.gz AKGNATZCPPOAQO-UHFFFAOYSA-N -2 3 652.116 7.138 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1I ZINC000408543356 572212671 /nfs/dbraw/zinc/21/26/71/572212671.db2.gz CYRILADRYMUCEJ-UHFFFAOYSA-N -2 3 594.452 5.055 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000408543957 572214095 /nfs/dbraw/zinc/21/40/95/572214095.db2.gz GJPKUBMFHISSLG-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)c1 ZINC000408544237 572214703 /nfs/dbraw/zinc/21/47/03/572214703.db2.gz BNNUPPJHSMKANL-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2Cl)c(C)c1 ZINC000408544354 572215391 /nfs/dbraw/zinc/21/53/91/572215391.db2.gz GYZUACLJSIBHPA-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000408544705 572216310 /nfs/dbraw/zinc/21/63/10/572216310.db2.gz IWHTZQKLZYOJNL-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2C)cc1 ZINC000408545939 572221401 /nfs/dbraw/zinc/22/14/01/572221401.db2.gz CCABNNPEQOEQMO-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)c1 ZINC000408545922 572221411 /nfs/dbraw/zinc/22/14/11/572221411.db2.gz BQMAHSSCQIRUMC-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2Cl)cc1C ZINC000408546776 572223676 /nfs/dbraw/zinc/22/36/76/572223676.db2.gz VSCQWEWIUCCFEY-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)cc2)cc1 ZINC000408546904 572224664 /nfs/dbraw/zinc/22/46/64/572224664.db2.gz WUESLFWSHPLQGD-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL CCc1nc(SC(=Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408630517 572286141 /nfs/dbraw/zinc/28/61/41/572286141.db2.gz AWUIVOMRMKOTOD-YVLHZVERSA-N -2 3 508.369 5.074 40 0 KKABHL O=C([O-])C(=Cc1cc(I)c([O-])c(I)c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000408634780 572291821 /nfs/dbraw/zinc/29/18/21/572291821.db2.gz ULHGLNKOULHYLE-QPEQYQDCSA-N -2 3 625.613 5.258 40 0 KKABHL COc1ccc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc1-c1c(=O)cc([O-])c2c(O)cc(-c3ccc(O)cc3)oc1-2 ZINC000003979028 574410877 /nfs/dbraw/zinc/41/08/77/574410877.db2.gz IWEIJEPIYMAGTH-UHFFFAOYSA-N -3 3 552.491 5.437 40 0 endogenous,in-man KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c(Cl)c1Cl ZINC000409113781 1070539341 /nfs/dbraw/zinc/53/93/41/1070539341.db2.gz NWJCLCYHJZQQMW-UHFFFAOYSA-N -2 3 521.831 5.257 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2Cl)c1 ZINC000409412186 1070925607 /nfs/dbraw/zinc/92/56/07/1070925607.db2.gz SWRTVVNUUOWXBV-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1OCC ZINC000408695573 1071383618 /nfs/dbraw/zinc/38/36/18/1071383618.db2.gz WKNTYASRQVFFGL-UHFFFAOYSA-N -2 3 525.048 5.047 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408693460 1071391594 /nfs/dbraw/zinc/39/15/94/1071391594.db2.gz VOIMIHJACTVOQC-UHFFFAOYSA-N -2 3 598.530 5.230 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693503 1071390950 /nfs/dbraw/zinc/39/09/50/1071390950.db2.gz XQCWCEBMEHQWPO-UHFFFAOYSA-N -2 3 593.727 5.466 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714992 1071470934 /nfs/dbraw/zinc/47/09/34/1071470934.db2.gz UGKJRYYYALSAOZ-UHFFFAOYSA-N -2 3 594.180 5.598 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715060 1071472666 /nfs/dbraw/zinc/47/26/66/1071472666.db2.gz ZOFSWPWDCZNTEB-UHFFFAOYSA-N -2 3 608.207 5.844 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000408711353 1071498154 /nfs/dbraw/zinc/49/81/54/1071498154.db2.gz LJWTXWIVPWUVHI-UHFFFAOYSA-N -2 3 565.673 5.166 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c(Cl)c1Cl ZINC000409119024 1072439059 /nfs/dbraw/zinc/43/90/59/1072439059.db2.gz RSERCUOAYIHEEQ-UHFFFAOYSA-N -2 3 566.282 5.366 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000409411125 1072798333 /nfs/dbraw/zinc/79/83/33/1072798333.db2.gz CSXOZHSXWPWVDF-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cc2)cc1 ZINC000409411164 1072799024 /nfs/dbraw/zinc/79/90/24/1072799024.db2.gz DVGKGEDXBJQGMI-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)cc1C ZINC000409411146 1072799107 /nfs/dbraw/zinc/79/91/07/1072799107.db2.gz DFRHKXBWUKHDMY-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2Cl)c1 ZINC000409410264 1072806583 /nfs/dbraw/zinc/80/65/83/1072806583.db2.gz UOXOZZISFBNHPG-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1Cl ZINC000409409867 1072808699 /nfs/dbraw/zinc/80/86/99/1072808699.db2.gz JRIIUAPCEIFCIN-UHFFFAOYSA-N -2 3 658.507 7.175 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)c1 ZINC000409408417 1072817031 /nfs/dbraw/zinc/81/70/31/1072817031.db2.gz CJUODDFWVWLXHX-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL CCOC(=O)c1c(C)[nH]c2c1c1c([O-])c3c([O-])c(C)c4c(c23)C(=O)[C@](C)(O4)OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=CC=C(C)C(=O)N1 ZINC001260493778 1072918511 /nfs/dbraw/zinc/91/85/11/1072918511.db2.gz QHJZCLDQJWBCOB-HBPRLPMHSA-N -2 3 806.906 6.015 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)cc2)cc1 ZINC000000787688 551542640 /nfs/dbraw/zinc/54/26/40/551542640.db2.gz KRPGIEJQLUHQFP-UHFFFAOYSA-N -2 3 506.649 5.496 40 0 KKABHL COc1ccc([C@@H]2Oc3cc([O-])cc(O)c3C(=O)[C@@H]2[C@H]2C(=O)c3c(O)cc([O-])cc3O[C@H]2c2ccc(OC)cc2)cc1 ZINC000072320087 553647457 /nfs/dbraw/zinc/64/74/57/553647457.db2.gz BTCICADMSGBCKA-KOUWNTBJSA-N -2 3 570.550 5.092 40 0 biogenic,in-vitro KKABHL COc1ccc([C@@H]2Oc3cc([O-])cc(O)c3C(=O)[C@@H]2[C@H]2C(=O)c3c(O)cc([O-])cc3O[C@@H]2c2ccc(OC)cc2)cc1 ZINC000072320086 553647464 /nfs/dbraw/zinc/64/74/64/553647464.db2.gz BTCICADMSGBCKA-IQXRZRKZSA-N -2 3 570.550 5.092 40 0 biogenic,in-vitro KKABHL CN(C(=O)c1cc2ccccc2cc1C(=O)[C@H](c1cccc2ccccc21)P(=O)([O-])[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000027872338 553836757 /nfs/dbraw/zinc/83/67/57/553836757.db2.gz GNOZQRKYZJSIPZ-UMSFTDKQSA-N -2 3 620.642 6.472 40 0 in-vitro KKABHL O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000100096270 554217370 /nfs/dbraw/zinc/21/73/70/554217370.db2.gz DTDUSVNTYFWFPO-UHFFFAOYSA-N -2 3 573.829 6.408 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000044884070 554307643 /nfs/dbraw/zinc/30/76/43/554307643.db2.gz YXAPNTLNIYGMBO-UHFFFAOYSA-N -2 3 515.012 5.734 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(Nc3ccccc3)[n-]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000059662953 554421089 /nfs/dbraw/zinc/42/10/89/554421089.db2.gz HASRIPWUGSAWNO-CMKKOEAFSA-N -2 3 595.663 5.523 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)c1 ZINC000060028746 554494994 /nfs/dbraw/zinc/49/49/94/554494994.db2.gz MRHWNUYCWGWXGR-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCCCCCCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100933401 554528305 /nfs/dbraw/zinc/52/83/05/554528305.db2.gz ZYPSFKRXKMIEEW-HNRBIFIRSA-N -2 3 514.626 5.323 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1 ZINC000105454642 571404966 /nfs/dbraw/zinc/40/49/66/571404966.db2.gz YAXPFZHVKPDEFR-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2C)c1 ZINC000106051955 571411168 /nfs/dbraw/zinc/41/11/68/571411168.db2.gz JHPINGQSCPPZQI-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000107601723 571420375 /nfs/dbraw/zinc/42/03/75/571420375.db2.gz DESYCNUXFDXUOC-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)ccc2Cl)c(C)c1 ZINC000107752794 571420977 /nfs/dbraw/zinc/42/09/77/571420977.db2.gz YBZMVESHZLZFSU-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2C)cc1 ZINC000107759555 571421160 /nfs/dbraw/zinc/42/11/60/571421160.db2.gz HDFFMKFQMFQXBE-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)cc1 ZINC000107815547 571421278 /nfs/dbraw/zinc/42/12/78/571421278.db2.gz RMHFYXOJMBMTRV-UHFFFAOYSA-N -2 3 579.700 5.556 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000107858308 571421439 /nfs/dbraw/zinc/42/14/39/571421439.db2.gz XFCPPSRDKRGWLC-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2C)c1 ZINC000107879510 571421565 /nfs/dbraw/zinc/42/15/65/571421565.db2.gz IBMVQXGONDLQOG-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2C)c1C ZINC000108195743 571422609 /nfs/dbraw/zinc/42/26/09/571422609.db2.gz GDLGTSWADRMGMF-UHFFFAOYSA-N -2 3 617.671 6.485 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2)cc1 ZINC000109060973 571428355 /nfs/dbraw/zinc/42/83/55/571428355.db2.gz DHNOETUHUIZPAN-UHFFFAOYSA-N -2 3 593.727 5.864 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c(C)c1 ZINC000109151568 571428614 /nfs/dbraw/zinc/42/86/14/571428614.db2.gz UHEWASWXRXQNOE-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2Cl)c1 ZINC000109321135 571429037 /nfs/dbraw/zinc/42/90/37/571429037.db2.gz MWMNDJSXBXLGDA-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000109797098 571430099 /nfs/dbraw/zinc/43/00/99/571430099.db2.gz SOKAYQJFFSEMOD-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000112265253 571438280 /nfs/dbraw/zinc/43/82/80/571438280.db2.gz HIAOJKBHWNRNPV-UHFFFAOYSA-N -2 3 580.810 5.187 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000112265729 571438468 /nfs/dbraw/zinc/43/84/68/571438468.db2.gz CEIADIBBMVCYJO-UHFFFAOYSA-N -2 3 610.452 6.077 40 0 KKABHL O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000113516870 571439909 /nfs/dbraw/zinc/43/99/09/571439909.db2.gz ANWULPADYHUIDI-UHFFFAOYSA-N -2 3 539.384 5.755 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)cc4)c3)cc2)cc1 ZINC000113620707 571441189 /nfs/dbraw/zinc/44/11/89/571441189.db2.gz TZAHLURQDXKWQS-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)c2C)cc1 ZINC000113621575 571441201 /nfs/dbraw/zinc/44/12/01/571441201.db2.gz CDOBSQJIRFIONG-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2Cl)cc1 ZINC000139673229 571453424 /nfs/dbraw/zinc/45/34/24/571453424.db2.gz WLMLHAUWTUIKEK-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000139982305 571454337 /nfs/dbraw/zinc/45/43/37/571454337.db2.gz IXEWMRQZRZNGDY-UHFFFAOYSA-N -2 3 610.928 6.501 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)c2)cc1 ZINC000140376086 571455861 /nfs/dbraw/zinc/45/58/61/571455861.db2.gz IKZZVIYXDUSHPK-UHFFFAOYSA-N -2 3 574.055 5.641 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2C)c(C)c1 ZINC000150435370 571495256 /nfs/dbraw/zinc/49/52/56/571495256.db2.gz YZUIZGAXGGILNH-UHFFFAOYSA-N -2 3 628.570 6.228 40 0 KKABHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c(Cl)c1 ZINC000215912143 571587332 /nfs/dbraw/zinc/58/73/32/571587332.db2.gz RJTZCSMPEXITOC-UHFFFAOYSA-N -2 3 582.409 5.437 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000215917529 571587545 /nfs/dbraw/zinc/58/75/45/571587545.db2.gz RHQXBYIKNZDKNY-UHFFFAOYSA-N -2 3 524.620 5.479 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215999282 571591234 /nfs/dbraw/zinc/59/12/34/571591234.db2.gz BGXLSTUECLWGAW-UHFFFAOYSA-N -2 3 560.028 5.333 40 0 KKABHL Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3[O-])nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408542638 572210532 /nfs/dbraw/zinc/21/05/32/572210532.db2.gz KFGJDUNRUQNRJE-UHFFFAOYSA-N -2 3 559.873 6.109 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)ccc1Cl ZINC000408543945 572214044 /nfs/dbraw/zinc/21/40/44/572214044.db2.gz GGAYRWVGLNWNCQ-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000408544309 572215124 /nfs/dbraw/zinc/21/51/24/572215124.db2.gz FZBZHDYJNBKEQC-UHFFFAOYSA-N -2 3 593.727 5.783 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)cc1 ZINC000408546894 572224742 /nfs/dbraw/zinc/22/47/42/572224742.db2.gz HBZZGPZQRCLNCD-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cc2)c1 ZINC000408547311 572225263 /nfs/dbraw/zinc/22/52/63/572225263.db2.gz YRIUZFKJURLVGA-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408547640 572226333 /nfs/dbraw/zinc/22/63/33/572226333.db2.gz KNPOLUAKDOQAAZ-UHFFFAOYSA-N -2 3 503.454 5.317 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1Cl ZINC000408547762 572226821 /nfs/dbraw/zinc/22/68/21/572226821.db2.gz MKVGCOKRZLZLBU-UHFFFAOYSA-N -2 3 555.383 5.622 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)c1 ZINC000408548187 572228297 /nfs/dbraw/zinc/22/82/97/572228297.db2.gz QHKWOWXWLVYZPH-UHFFFAOYSA-N -2 3 599.734 6.619 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2Cl)cc1C ZINC000408548131 572228408 /nfs/dbraw/zinc/22/84/08/572228408.db2.gz PQOLJLJHVUSCDX-UHFFFAOYSA-N -2 3 638.089 6.830 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)cc1 ZINC000408548492 572229554 /nfs/dbraw/zinc/22/95/54/572229554.db2.gz SRIIUTCNLXBIBX-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2)cc1 ZINC000408548808 572229984 /nfs/dbraw/zinc/22/99/84/572229984.db2.gz VONURNTZESXFST-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)ccc2C)c1 ZINC000408548767 572230021 /nfs/dbraw/zinc/23/00/21/572230021.db2.gz UVNCSPXCVQUOBQ-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL CCCc1nc(SC(=Cc2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)C(=O)[O-])n[n-]1 ZINC000408630536 572286289 /nfs/dbraw/zinc/28/62/89/572286289.db2.gz BFBXVIMYJNUBAL-UWVJOHFNSA-N -2 3 573.296 6.632 40 0 KKABHL CCc1nc(SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408631797 572288088 /nfs/dbraw/zinc/28/80/88/572288088.db2.gz LPIAOCGTFKEYQW-IUXPMGMMSA-N -2 3 559.269 6.242 40 0 KKABHL CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(I)c1[O-] ZINC000408633371 572290051 /nfs/dbraw/zinc/29/00/51/572290051.db2.gz KCVASLATUVSVAF-DHDCSXOGSA-N -2 3 544.754 5.317 40 0 KKABHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(C5SCCS5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254112527 572302106 /nfs/dbraw/zinc/30/21/06/572302106.db2.gz GCEUDIONNAAMRI-LIJGADJFSA-N -2 3 801.977 6.233 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1Cl ZINC000409026173 1070410303 /nfs/dbraw/zinc/41/03/03/1070410303.db2.gz HYYALADXIHKJGO-UHFFFAOYSA-N -2 3 505.832 5.557 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c1 ZINC000409408669 1070926470 /nfs/dbraw/zinc/92/64/70/1070926470.db2.gz DHSWJGDXQJTTPH-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C(C)C ZINC000408681878 1071373007 /nfs/dbraw/zinc/37/30/07/1071373007.db2.gz ZYYJMFKJRGZFKJ-UHFFFAOYSA-N -2 3 539.473 5.183 40 0 KKABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1OCC ZINC000408696047 1071381517 /nfs/dbraw/zinc/38/15/17/1071381517.db2.gz ZFGZKFGKNMXBBB-UHFFFAOYSA-N -2 3 526.636 5.239 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408692998 1071393083 /nfs/dbraw/zinc/39/30/83/1071393083.db2.gz AQLSKEPYHYSKQO-UHFFFAOYSA-N -2 3 646.109 5.985 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714837 1071473642 /nfs/dbraw/zinc/47/36/42/1071473642.db2.gz PVIGCFUWNPVTGP-UHFFFAOYSA-N -2 3 614.598 5.943 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)cc2)cc1 ZINC000408714588 1071476290 /nfs/dbraw/zinc/47/62/90/1071476290.db2.gz HRWCLYOIGRDETB-UHFFFAOYSA-N -2 3 603.788 5.425 40 0 KKABHL O=c1[n-]c(-c2cc(Br)cc(I)c2[O-])nc2sc3c(c21)CCCC3 ZINC000408734387 1071565441 /nfs/dbraw/zinc/56/54/41/1071565441.db2.gz GACUFPSNYAXNFF-UHFFFAOYSA-N -2 3 503.159 5.015 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409044543 1071849007 /nfs/dbraw/zinc/84/90/07/1071849007.db2.gz VURNFFQBJIFKQJ-UHFFFAOYSA-N -2 3 582.680 6.098 40 0 KKABHL O=S(=O)([N-]c1ccc(Br)cc1)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409183694 1072782670 /nfs/dbraw/zinc/78/26/70/1072782670.db2.gz SAHOJXULTJVPTR-UHFFFAOYSA-N -2 3 536.256 5.358 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409411441 1072796313 /nfs/dbraw/zinc/79/63/13/1072796313.db2.gz WVWKTXTWKXRQDQ-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)c(OC)c1 ZINC000409411145 1072799049 /nfs/dbraw/zinc/79/90/49/1072799049.db2.gz DENHLJKQXWCOPG-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2Cl)cc1C ZINC000409411167 1072799090 /nfs/dbraw/zinc/79/90/90/1072799090.db2.gz DYNJKEOAGIQHMO-UHFFFAOYSA-N -2 3 672.534 7.483 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2Cl)c1 ZINC000409410432 1072805000 /nfs/dbraw/zinc/80/50/00/1072805000.db2.gz MXFMINOHUFUIIB-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2Cl)c1 ZINC000409409635 1072809353 /nfs/dbraw/zinc/80/93/53/1072809353.db2.gz PPRUWRCJAARLKM-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)ccc2Cl)cc1 ZINC000409409455 1072809787 /nfs/dbraw/zinc/80/97/87/1072809787.db2.gz PBGDNEITYRIVEI-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)c(C)c1 ZINC000409409316 1072810446 /nfs/dbraw/zinc/81/04/46/1072810446.db2.gz HIVWSVUBLICRAD-UHFFFAOYSA-N -2 3 599.734 6.619 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409179082 1072811887 /nfs/dbraw/zinc/81/18/87/1072811887.db2.gz JSZXGNJNSGNKFC-UHFFFAOYSA-N -2 3 568.255 5.998 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000409409290 1072811992 /nfs/dbraw/zinc/81/19/92/1072811992.db2.gz GVZVSBUSIYEAMN-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=S(=O)([N-]c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1 ZINC000008974183 553195792 /nfs/dbraw/zinc/19/57/92/553195792.db2.gz QCWAXGJBDKTFRX-UHFFFAOYSA-N -2 3 516.547 5.359 40 0 KKABHL Cc1cc([N-]S(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2C)cc([N-]S(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2C)c1C ZINC000097996159 554038381 /nfs/dbraw/zinc/03/83/81/554038381.db2.gz KATVVJBBZYOOEK-UHFFFAOYSA-N -2 3 662.746 6.212 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000100091451 554211714 /nfs/dbraw/zinc/21/17/14/554211714.db2.gz JXXFCWWOHMJZQH-UHFFFAOYSA-N -2 3 519.859 5.698 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000100097048 554218650 /nfs/dbraw/zinc/21/86/50/554218650.db2.gz YWOCLFRFEOBFSW-UHFFFAOYSA-N -2 3 582.512 5.909 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1C ZINC000044949729 554310740 /nfs/dbraw/zinc/31/07/40/554310740.db2.gz NLFPSYCRBPBAAP-UHFFFAOYSA-N -2 3 508.621 5.697 40 0 KKABHL CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100353268 554331765 /nfs/dbraw/zinc/33/17/65/554331765.db2.gz RHZKIDADPZWQRJ-LITSAYRRSA-N -2 3 610.070 5.245 40 0 KKABHL CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100353259 554331775 /nfs/dbraw/zinc/33/17/75/554331775.db2.gz RHZKIDADPZWQRJ-GGXMVOPNSA-N -2 3 610.070 5.245 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)cc2)cc1 ZINC000059923821 554473988 /nfs/dbraw/zinc/47/39/88/554473988.db2.gz RUKYMXMAHHDKDY-UHFFFAOYSA-N -2 3 600.118 5.901 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000060028239 554491430 /nfs/dbraw/zinc/49/14/30/554491430.db2.gz OJTNGUDTAWDVHN-UHFFFAOYSA-N -2 3 530.627 6.234 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)c1 ZINC000060060765 554500861 /nfs/dbraw/zinc/50/08/61/554500861.db2.gz MOGMPGKRMLGTCL-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1ccccc1[N-]S(=O)(=O)CCCCCCCCCCCCS(=O)(=O)[N-]c1ccccc1OC ZINC000100921937 554521741 /nfs/dbraw/zinc/52/17/41/554521741.db2.gz GUPXIONCVKUBHS-UHFFFAOYSA-N -2 3 540.748 5.788 40 0 KKABHL CCCCCCc1cc2c([O-])c(C(c3ccccc3)c3c([O-])c4cc(CCCCCC)c([O-])cc4oc3=O)c(=O)oc2cc1[O-] ZINC000104345418 571379333 /nfs/dbraw/zinc/37/93/33/571379333.db2.gz JBLNKXDECGBIDN-UHFFFAOYSA-N -4 3 612.719 8.148 40 0 KKABHL CCCCCCc1cc2c([O-])c(C(c3ccccc3)c3c([O-])c4cc(CCCCCC)c(O)cc4oc3=O)c(=O)oc2cc1[O-] ZINC000104345418 571379334 /nfs/dbraw/zinc/37/93/34/571379334.db2.gz JBLNKXDECGBIDN-UHFFFAOYSA-N -3 3 612.719 8.148 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2Cl)cc1 ZINC000105525054 571407272 /nfs/dbraw/zinc/40/72/72/571407272.db2.gz YLONIEVEDHMIEM-UHFFFAOYSA-N -2 3 606.125 6.656 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000108115175 571422370 /nfs/dbraw/zinc/42/23/70/571422370.db2.gz VANBJQOOEBVDKH-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000108314570 571423087 /nfs/dbraw/zinc/42/30/87/571423087.db2.gz ROAFYGOXSDRSHY-UHFFFAOYSA-N -2 3 560.028 5.333 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000113619688 571440873 /nfs/dbraw/zinc/44/08/73/571440873.db2.gz LDGZROXASYJSKC-UHFFFAOYSA-N -2 3 565.673 5.166 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2C)cc1 ZINC000113620534 571440975 /nfs/dbraw/zinc/44/09/75/571440975.db2.gz KJFJKMZBOUJOJG-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)c(C)c1 ZINC000113620342 571441027 /nfs/dbraw/zinc/44/10/27/571441027.db2.gz OWYGCLGHJLOQCO-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1Cl ZINC000140021486 571454434 /nfs/dbraw/zinc/45/44/34/571454434.db2.gz SODCOAALKDRUCO-UHFFFAOYSA-N -2 3 529.039 6.042 40 0 KKABHL O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2[O-])C3=O)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1[O-])C2=O ZINC000150397947 571477184 /nfs/dbraw/zinc/47/71/84/571477184.db2.gz ZCMIFYPQXUWWOO-UHFFFAOYSA-N -2 3 640.560 5.137 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000197968770 571566215 /nfs/dbraw/zinc/56/62/15/571566215.db2.gz TZPWBCPLGZTRHF-UHFFFAOYSA-N -2 3 620.934 5.956 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)c(Cl)c2)cc1 ZINC000197981325 571566394 /nfs/dbraw/zinc/56/63/94/571566394.db2.gz KZFKBEQZQLDHOT-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)c(Cl)c2)cc1 ZINC000198294002 571566757 /nfs/dbraw/zinc/56/67/57/571566757.db2.gz WJKQJFMBAKUGFD-UHFFFAOYSA-N -2 3 658.507 7.175 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)c2)cc1 ZINC000215905227 571587202 /nfs/dbraw/zinc/58/72/02/571587202.db2.gz BQQAVIKXYNLQOV-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)c2)cc1 ZINC000215905381 571587216 /nfs/dbraw/zinc/58/72/16/571587216.db2.gz CDYFKHCIYVBCRP-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000215942693 571588854 /nfs/dbraw/zinc/58/88/54/571588854.db2.gz RYTBMAZBYVTXQM-UHFFFAOYSA-N -2 3 574.002 5.087 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)c(Cl)c3)cc2)c1 ZINC000215944431 571588872 /nfs/dbraw/zinc/58/88/72/571588872.db2.gz GKOOWRAFLITHJZ-UHFFFAOYSA-N -2 3 616.117 5.520 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000215992803 571591073 /nfs/dbraw/zinc/59/10/73/571591073.db2.gz SMBWUORMUYQAQZ-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])[C@H](C)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000218899641 571604041 /nfs/dbraw/zinc/60/40/41/571604041.db2.gz MOBQPYAZFMYGKM-KBBVOBCMSA-N -2 3 663.822 8.176 40 0 KKABHL CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H](C(=O)[O-])[C@H](C)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000218899641 571604043 /nfs/dbraw/zinc/60/40/43/571604043.db2.gz MOBQPYAZFMYGKM-KBBVOBCMSA-N -2 3 663.822 8.176 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(Nc3ccccc3)[n-]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000221964753 571604521 /nfs/dbraw/zinc/60/45/21/571604521.db2.gz HASRIPWUGSAWNO-WFLWKIQJSA-N -2 3 595.663 5.523 40 0 KKABHL CCn1c(C)c(C(=O)OC)c2c1c1c3c4c(C)c([O-])c1c([O-])c2NC(=O)C(C)=CC=C[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263603234 572129470 /nfs/dbraw/zinc/12/94/70/572129470.db2.gz NGYYYQSYTAPXRX-NCAKHGETSA-N -2 3 820.933 6.118 40 0 KKABHL CCn1c(C)c(C(=O)OC)c2c1c1c3c4c(C)c([O-])c1c([O-])c2NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263603236 572129481 /nfs/dbraw/zinc/12/94/81/572129481.db2.gz NGYYYQSYTAPXRX-YHADPUDCSA-N -2 3 820.933 6.118 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2C)c1 ZINC000408542988 572211473 /nfs/dbraw/zinc/21/14/73/572211473.db2.gz BQGZNTRHVYRTOC-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2C)c(C)c1 ZINC000408545393 572218497 /nfs/dbraw/zinc/21/84/97/572218497.db2.gz LCWCKQRXXFQUCL-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2C)c1 ZINC000408546080 572221605 /nfs/dbraw/zinc/22/16/05/572221605.db2.gz QJAXGIGJXPZURN-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c1 ZINC000408546996 572224495 /nfs/dbraw/zinc/22/44/95/572224495.db2.gz IDZUDQUDDPBVTG-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1 ZINC000408547870 572227373 /nfs/dbraw/zinc/22/73/73/572227373.db2.gz OCGOZXUIKOBSCK-UHFFFAOYSA-N -2 3 600.118 5.901 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1Cl ZINC000408548200 572228479 /nfs/dbraw/zinc/22/84/79/572228479.db2.gz QKEOGZHCIZLAJX-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2C)c1 ZINC000408549059 572231083 /nfs/dbraw/zinc/23/10/83/572231083.db2.gz WGLAKSXSGUJXEB-UHFFFAOYSA-N -2 3 614.543 5.920 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2C)cc1C ZINC000408549359 572231407 /nfs/dbraw/zinc/23/14/07/572231407.db2.gz YGAWKLWMWNCFJJ-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1C ZINC000408549355 572231544 /nfs/dbraw/zinc/23/15/44/572231544.db2.gz YCEXOAKQFAIXMN-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2Cl)cc1 ZINC000408549520 572232037 /nfs/dbraw/zinc/23/20/37/572232037.db2.gz ZJEGLDXRCZXKSD-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL CCCc1nc(SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408632445 572288801 /nfs/dbraw/zinc/28/88/01/572288801.db2.gz QATVGMCRJUSPOH-WQRHYEAKSA-N -2 3 538.851 5.979 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3F)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408633110 572289688 /nfs/dbraw/zinc/28/96/88/572289688.db2.gz VXWZELFJPSAAOH-WQRHYEAKSA-N -2 3 569.396 5.306 40 0 KKABHL CCc1nc(SC(=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)C(=O)[O-])n[n-]1 ZINC000408633452 572290192 /nfs/dbraw/zinc/29/01/92/572290192.db2.gz YOSAPVHDJYAQPV-XHPQRKPJSA-N -2 3 506.631 7.018 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715030 1069727330 /nfs/dbraw/zinc/72/73/30/1069727330.db2.gz XTWYQWPAMFFCMI-UHFFFAOYSA-N -2 3 608.207 5.844 40 0 KKABHL O=c1[n-]c(-c2cc(Br)cc(I)c2[O-])nc2sc3c(c21)CCCCC3 ZINC000408993735 1070369362 /nfs/dbraw/zinc/36/93/62/1070369362.db2.gz XHLMLLKRBPRQLM-UHFFFAOYSA-N -2 3 517.186 5.406 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409364019 1070881086 /nfs/dbraw/zinc/88/10/86/1070881086.db2.gz MVWHWAMJKQKQDY-UHFFFAOYSA-N -2 3 578.261 5.454 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1 ZINC000409409931 1070919617 /nfs/dbraw/zinc/91/96/17/1070919617.db2.gz KBKNWQRBJHEVML-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693429 1071391858 /nfs/dbraw/zinc/39/18/58/1071391858.db2.gz UERDVKHOZCRULH-UHFFFAOYSA-N -2 3 622.563 5.076 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714993 1071470870 /nfs/dbraw/zinc/47/08/70/1071470870.db2.gz UIQMCNNVIQOCFC-UHFFFAOYSA-N -2 3 587.789 5.643 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714984 1071470894 /nfs/dbraw/zinc/47/08/94/1071470894.db2.gz SVEQBHCNVCGERG-UHFFFAOYSA-N -2 3 624.604 5.399 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C(=O)N1CCCCC1 ZINC000408715043 1071471575 /nfs/dbraw/zinc/47/15/75/1071471575.db2.gz YLTUSGUPANSPQL-UHFFFAOYSA-N -2 3 595.768 5.789 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000408715035 1071471907 /nfs/dbraw/zinc/47/19/07/1071471907.db2.gz YBPNNWSVVBZLIE-UHFFFAOYSA-N -2 3 603.788 5.343 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C(=O)N1CCCC1 ZINC000408715004 1071471969 /nfs/dbraw/zinc/47/19/69/1071471969.db2.gz VROZJEBCDZHMQS-UHFFFAOYSA-N -2 3 580.153 5.208 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714849 1071473525 /nfs/dbraw/zinc/47/35/25/1071473525.db2.gz QHXFSYKYLFJEDG-UHFFFAOYSA-N -2 3 573.762 5.191 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714525 1071475431 /nfs/dbraw/zinc/47/54/31/1071475431.db2.gz ANDFDNRQGIORSN-UHFFFAOYSA-N -2 3 580.153 5.290 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCC(C)CC4)c3)cc2)cc1 ZINC000408714605 1071476197 /nfs/dbraw/zinc/47/61/97/1071476197.db2.gz JTGIHKHXZXASGT-UHFFFAOYSA-N -2 3 603.788 5.281 40 0 KKABHL COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)c(Br)c(Br)c1[O-] ZINC000408986731 1071487922 /nfs/dbraw/zinc/48/79/22/1071487922.db2.gz DFXKESYNKDUFHE-UHFFFAOYSA-N -2 3 500.212 5.572 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1Cl ZINC000409024538 1071711772 /nfs/dbraw/zinc/71/17/72/1071711772.db2.gz DADAHJDCDZRWSQ-UHFFFAOYSA-N -2 3 515.838 5.013 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(Cl)c1Cl ZINC000409112683 1072388483 /nfs/dbraw/zinc/38/84/83/1072388483.db2.gz FTYUULPUNOSUBR-UHFFFAOYSA-N -2 3 515.440 5.220 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409366556 1072573976 /nfs/dbraw/zinc/57/39/76/1072573976.db2.gz WCILEPFAGJYENF-UHFFFAOYSA-N -2 3 538.229 5.989 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000409366509 1072574362 /nfs/dbraw/zinc/57/43/62/1072574362.db2.gz VJXLNXWDPBCNPJ-UHFFFAOYSA-N -2 3 592.288 5.844 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c1C ZINC000409410223 1072805809 /nfs/dbraw/zinc/80/58/09/1072805809.db2.gz LNIBYNHOZFGPPI-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL O=c1cc(-c2ccc(Oc3c([O-])cc4oc(-c5ccc(O)cc5)cc(=O)c4c3[O-])cc2)oc2cc([O-])cc([O-])c12 ZINC000004098521 552436679 /nfs/dbraw/zinc/43/66/79/552436679.db2.gz WTDHMFBJQJSTMH-UHFFFAOYSA-N -4 3 538.464 5.554 40 0 biogenic,in-vitro KKABHL CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000004102306 552436949 /nfs/dbraw/zinc/43/69/49/552436949.db2.gz FJAQNRBDVKIIKK-LFLQOBSNSA-N -2 3 697.137 5.370 40 0 in-vivo KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)[N-]c5ccc(C)cc5C)cc4c3c2)c(C)c1 ZINC000005941749 552514016 /nfs/dbraw/zinc/51/40/16/552514016.db2.gz YHMLAFHZNNHMLP-UHFFFAOYSA-N -2 3 534.659 6.421 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)cc2)cc1C ZINC000100096912 554218250 /nfs/dbraw/zinc/21/82/50/554218250.db2.gz UEUWWIDZEPRKCZ-UHFFFAOYSA-N -2 3 541.676 5.219 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)cc2)cc1C ZINC000059922927 554472657 /nfs/dbraw/zinc/47/26/57/554472657.db2.gz XXJDYIDHYNGRLP-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)c2)cc1 ZINC000060018492 554489757 /nfs/dbraw/zinc/48/97/57/554489757.db2.gz YAHQMKXWYXGBDM-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)c(Cl)c2)cc1 ZINC000060060670 554500103 /nfs/dbraw/zinc/50/01/03/554500103.db2.gz JWKATEXTUQPTBP-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2Cl)c1 ZINC000105916042 571409442 /nfs/dbraw/zinc/40/94/42/571409442.db2.gz MSABOHAYAXXCMZ-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)cc1C ZINC000106138476 571411312 /nfs/dbraw/zinc/41/13/12/571411312.db2.gz HNUWHXKXTMOCPX-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)cc1C ZINC000106411598 571412498 /nfs/dbraw/zinc/41/24/98/571412498.db2.gz AMWRFNVKHWGNJS-UHFFFAOYSA-N -2 3 599.734 6.619 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2C)cc1 ZINC000106616162 571413225 /nfs/dbraw/zinc/41/32/25/571413225.db2.gz QQFJWMUACBJVHI-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000106717361 571415565 /nfs/dbraw/zinc/41/55/65/571415565.db2.gz LTBONACHYDEDBF-UHFFFAOYSA-N -2 3 600.516 5.611 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)ccc2Cl)c1 ZINC000107703428 571420854 /nfs/dbraw/zinc/42/08/54/571420854.db2.gz JVKWCEJNCDIBBB-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000107800602 571421194 /nfs/dbraw/zinc/42/11/94/571421194.db2.gz VYKSZGAAMOLXED-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000108190936 571422569 /nfs/dbraw/zinc/42/25/69/571422569.db2.gz UEPHCXHWVGBOEH-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000110225456 571430881 /nfs/dbraw/zinc/43/08/81/571430881.db2.gz CSJVDRUDXAYKLY-UHFFFAOYSA-N -2 3 589.617 5.868 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000112265601 571438373 /nfs/dbraw/zinc/43/83/73/571438373.db2.gz CIQDENPZOVNSFJ-UHFFFAOYSA-N -2 3 594.837 5.577 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000113620013 571440947 /nfs/dbraw/zinc/44/09/47/571440947.db2.gz VRXYDKGUNRVJHE-UHFFFAOYSA-N -2 3 575.590 5.559 40 0 KKABHL Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000113620018 571441011 /nfs/dbraw/zinc/44/10/11/571441011.db2.gz GIZMNVLYXVNLMS-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000113619702 571441058 /nfs/dbraw/zinc/44/10/58/571441058.db2.gz XPLYBVSUFBGJID-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000140099007 571454994 /nfs/dbraw/zinc/45/49/94/571454994.db2.gz BISIVSMSDMJPFP-UHFFFAOYSA-N -2 3 560.028 5.333 40 0 KKABHL CC[C@H](C)Oc1ccc(C(c2c(=O)[n-]c(=S)n(-c3ccc(C)cc3C)c2[O-])c2c(=O)[n-]c(=S)n(-c3ccc(C)cc3C)c2[O-])cc1 ZINC000150348322 571461058 /nfs/dbraw/zinc/46/10/58/571461058.db2.gz NFASIYHGQJSDJJ-FNLNDYFBSA-N -4 3 656.830 5.309 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)c(Cl)c2)cc1 ZINC000216325746 571594858 /nfs/dbraw/zinc/59/48/58/571594858.db2.gz OTDXKDMWMIDKDJ-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216353618 571595196 /nfs/dbraw/zinc/59/51/96/571595196.db2.gz SPHQSQCYUWYTRI-UHFFFAOYSA-N -2 3 610.928 6.501 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(c2c(Nc3ccccc3)[n-]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000221964874 571604576 /nfs/dbraw/zinc/60/45/76/571604576.db2.gz HASRIPWUGSAWNO-AAYZJPSRSA-N -2 3 595.663 5.523 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000408542787 572211033 /nfs/dbraw/zinc/21/10/33/572211033.db2.gz AOXHYEBOIUAEOF-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)cc1 ZINC000408543015 572211650 /nfs/dbraw/zinc/21/16/50/572211650.db2.gz BVZYROFLMHIJPG-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1 ZINC000408545007 572217406 /nfs/dbraw/zinc/21/74/06/572217406.db2.gz LQIZOHBXTWKLFV-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)c1 ZINC000408546568 572223754 /nfs/dbraw/zinc/22/37/54/572223754.db2.gz FKLGQQSBOINSQQ-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2Cl)c1 ZINC000408547734 572226778 /nfs/dbraw/zinc/22/67/78/572226778.db2.gz MBXIICIXCGLJCS-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)cc1 ZINC000408547842 572227246 /nfs/dbraw/zinc/22/72/46/572227246.db2.gz NRWYDNUVFXSXJE-UHFFFAOYSA-N -2 3 614.145 6.209 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)ccc1C ZINC000408548749 572229869 /nfs/dbraw/zinc/22/98/69/572229869.db2.gz UMIGXHOFKLVEIR-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408549364 572231448 /nfs/dbraw/zinc/23/14/48/572231448.db2.gz YHWXZCGNVKJARU-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)ccc1Cl ZINC000408549519 572232006 /nfs/dbraw/zinc/23/20/06/572232006.db2.gz ZHSHSSVQFYXULJ-UHFFFAOYSA-N -2 3 634.961 6.265 40 0 KKABHL COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Br)c([O-])c(OC)c2)C(=O)[O-])o1 ZINC000408633802 572290640 /nfs/dbraw/zinc/29/06/40/572290640.db2.gz PPWMGKSOULDJFP-CHHVJCJISA-N -2 3 513.753 5.093 40 0 KKABHL CCN(CC)C(=O)COc1cc2c([O-])c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N2 ZINC000253740552 572302000 /nfs/dbraw/zinc/30/20/00/572302000.db2.gz VFYNXKZVOUXHDX-UZESDNKDSA-N -2 3 810.938 5.296 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408906879 1070181367 /nfs/dbraw/zinc/18/13/67/1070181367.db2.gz JUMBRCYVAUNNCM-UHFFFAOYSA-N -2 3 515.838 5.013 40 0 KKABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1OCC ZINC000408696057 1071381430 /nfs/dbraw/zinc/38/14/30/1071381430.db2.gz ZGUYINCCFNYMPD-UHFFFAOYSA-N -2 3 579.018 5.758 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C(C)C ZINC000408694164 1071389024 /nfs/dbraw/zinc/38/90/24/1071389024.db2.gz DFPRZPKHRSZPHS-UHFFFAOYSA-N -2 3 509.049 5.382 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693323 1071390831 /nfs/dbraw/zinc/39/08/31/1071390831.db2.gz OENSJIJYTDQKOI-UHFFFAOYSA-N -2 3 592.139 5.275 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715041 1071472021 /nfs/dbraw/zinc/47/20/21/1071472021.db2.gz YKPNQVHMSSMLOP-UHFFFAOYSA-N -2 3 608.207 5.988 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714876 1071473574 /nfs/dbraw/zinc/47/35/74/1071473574.db2.gz RETDBBIMMPJVRG-UHFFFAOYSA-N -2 3 573.762 5.253 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714565 1071475160 /nfs/dbraw/zinc/47/51/60/1071475160.db2.gz FIVDJRLZKIJMKG-UHFFFAOYSA-N -2 3 587.789 5.499 40 0 KKABHL Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712543 1071481772 /nfs/dbraw/zinc/48/17/72/1071481772.db2.gz JCLGELYNDLARHE-UHFFFAOYSA-N -2 3 589.617 5.868 40 0 KKABHL Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712524 1071481828 /nfs/dbraw/zinc/48/18/28/1071481828.db2.gz CHTVMPVZSRFKLE-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000408712421 1071486522 /nfs/dbraw/zinc/48/65/22/1071486522.db2.gz ZVHRHWDZVDJWAC-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)c1 ZINC000408712314 1071483377 /nfs/dbraw/zinc/48/33/77/1071483377.db2.gz LFKNGMZZQVVUQB-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2C)cc1 ZINC000408712339 1071484237 /nfs/dbraw/zinc/48/42/37/1071484237.db2.gz OJARDKPXWVCBGB-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)c2)cc1 ZINC000408711321 1071497136 /nfs/dbraw/zinc/49/71/36/1071497136.db2.gz HYURUNVIVPGFJY-UHFFFAOYSA-N -2 3 571.680 6.002 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000408711400 1071498971 /nfs/dbraw/zinc/49/89/71/1071498971.db2.gz RXYCQAHOMJMYJU-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000409361491 1072600647 /nfs/dbraw/zinc/60/06/47/1072600647.db2.gz HKSHUPWQKMBGEL-UHFFFAOYSA-N -2 3 503.784 5.336 40 0 KKABHL O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000409373811 1072641129 /nfs/dbraw/zinc/64/11/29/1072641129.db2.gz UUMZWBKMOXBWJB-UHFFFAOYSA-N -2 3 506.527 5.460 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)cc1Cl ZINC000409412379 1072787535 /nfs/dbraw/zinc/78/75/35/1072787535.db2.gz VQULRHJFVLWWBV-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c(OC)c1 ZINC000409412116 1072790137 /nfs/dbraw/zinc/79/01/37/1072790137.db2.gz ROUJQZXTHCJDPM-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2Cl)cc1 ZINC000409411645 1072793205 /nfs/dbraw/zinc/79/32/05/1072793205.db2.gz YLANECKMZJANLF-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2Cl)cc1C ZINC000409411685 1072793459 /nfs/dbraw/zinc/79/34/59/1072793459.db2.gz ZECWQZDVOSPAKE-UHFFFAOYSA-N -2 3 648.988 6.573 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000409411289 1072797282 /nfs/dbraw/zinc/79/72/82/1072797282.db2.gz VYFMYYOVBLYRFI-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2)c(OC)c1 ZINC000409411045 1072799948 /nfs/dbraw/zinc/79/99/48/1072799948.db2.gz STOLDWWLADAULA-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000409410358 1072804470 /nfs/dbraw/zinc/80/44/70/1072804470.db2.gz MRDNFERCMHVOEN-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)ccc1Cl ZINC000409408344 1072816337 /nfs/dbraw/zinc/81/63/37/1072816337.db2.gz BYCJQSXJBKWPIC-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc2oc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(Cl)c4)cc3c2c1 ZINC000409227367 1073032485 /nfs/dbraw/zinc/03/24/85/1073032485.db2.gz YCVPQOVCZLSBRR-UHFFFAOYSA-N -2 3 616.331 7.801 40 0 KKABHL O=S(=O)([N-]c1cccc(F)c1)c1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)cc1 ZINC000000820116 551543724 /nfs/dbraw/zinc/54/37/24/551543724.db2.gz XJKDVQWOULADRJ-UHFFFAOYSA-N -2 3 516.547 5.359 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cc([N-]S(=O)(=O)c5ccc(C)cc5)ccc4o3)cc2)cc1 ZINC000000821797 551544074 /nfs/dbraw/zinc/54/40/74/551544074.db2.gz HESGVZKIEKDRPB-UHFFFAOYSA-N -2 3 533.631 5.713 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)[N-]c5ccc(C)c(C)c5)cc4c3c2)cc1C ZINC000005941861 552514125 /nfs/dbraw/zinc/51/41/25/552514125.db2.gz KGDCAKHTNSEXIQ-UHFFFAOYSA-N -2 3 534.659 6.421 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3c2c1 ZINC000005941984 552514429 /nfs/dbraw/zinc/51/44/29/552514429.db2.gz PTUFJHFGUBRRTH-UHFFFAOYSA-N -2 3 534.659 6.421 40 0 KKABHL COc1ccc([C@@H]2Oc3cc([O-])cc(O)c3C(=O)[C@@H]2[C@@H]2C(=O)c3c(O)cc([O-])cc3O[C@@H]2c2ccc(OC)cc2)cc1 ZINC000072320084 553647412 /nfs/dbraw/zinc/64/74/12/553647412.db2.gz BTCICADMSGBCKA-WVKQWSHJSA-N -2 3 570.550 5.092 40 0 biogenic,in-vitro KKABHL COc1ccc([C@@H]2Oc3cc([O-])cc(O)c3C(=O)[C@@H]2[C@@H]2C(=O)c3c(O)cc([O-])cc3O[C@H]2c2ccc(OC)cc2)cc1 ZINC000072320085 553647481 /nfs/dbraw/zinc/64/74/81/553647481.db2.gz BTCICADMSGBCKA-LAMLPGAKSA-N -2 3 570.550 5.092 40 0 biogenic,in-vitro KKABHL O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000100091335 554211452 /nfs/dbraw/zinc/21/14/52/554211452.db2.gz BETHTUAJOUJYEE-UHFFFAOYSA-N -2 3 539.384 5.755 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1 ZINC000059852548 554451778 /nfs/dbraw/zinc/45/17/78/554451778.db2.gz QYEZOPRSMMNJLK-UHFFFAOYSA-N -2 3 572.064 5.203 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)cc2)c1 ZINC000060028346 554492518 /nfs/dbraw/zinc/49/25/18/554492518.db2.gz SLTCKQMETTUCBD-UHFFFAOYSA-N -2 3 616.117 5.520 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)c2)cc1 ZINC000060028780 554495369 /nfs/dbraw/zinc/49/53/69/554495369.db2.gz VPKKJDLOBUUIQY-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000060060846 554501144 /nfs/dbraw/zinc/50/11/44/554501144.db2.gz OWFNWALEGJFEOJ-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2Cl)c1 ZINC000105311275 571396770 /nfs/dbraw/zinc/39/67/70/571396770.db2.gz FKSLQQSYFQEGPE-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000106236010 571411629 /nfs/dbraw/zinc/41/16/29/571411629.db2.gz OLJGWGLAKGSMMV-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1 ZINC000106399232 571412444 /nfs/dbraw/zinc/41/24/44/571412444.db2.gz SCEDGNSKIZYRGK-UHFFFAOYSA-N -2 3 565.673 5.166 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)c1 ZINC000107752616 571421045 /nfs/dbraw/zinc/42/10/45/571421045.db2.gz GTFLJWYMCQDHNW-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2Cl)c1 ZINC000109060879 571428258 /nfs/dbraw/zinc/42/82/58/571428258.db2.gz FRBFORUDEHGBRR-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2Cl)c1 ZINC000110270857 571430993 /nfs/dbraw/zinc/43/09/93/571430993.db2.gz GJWOENKHMUBDIX-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1ccccc1Cl ZINC000112265476 571438409 /nfs/dbraw/zinc/43/84/09/571438409.db2.gz VFJVAONLBYZZMX-UHFFFAOYSA-N -2 3 594.837 5.577 40 0 KKABHL Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000113619676 571440879 /nfs/dbraw/zinc/44/08/79/571440879.db2.gz CGTPQHWSOLWLOK-UHFFFAOYSA-N -2 3 589.617 5.868 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)cc1C ZINC000113619863 571440968 /nfs/dbraw/zinc/44/09/68/571440968.db2.gz BWPWWEYODHNXBS-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)cc1 ZINC000113619867 571441049 /nfs/dbraw/zinc/44/10/49/571441049.db2.gz SLPGXYFBPKKMNK-UHFFFAOYSA-N -2 3 565.673 5.248 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2Cl)c(C)c1 ZINC000150426994 571491322 /nfs/dbraw/zinc/49/13/22/571491322.db2.gz AZSOVDXADPNLBS-UHFFFAOYSA-N -2 3 672.534 7.483 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4Cl)cc3)ccc2Cl)c1 ZINC000150428171 571491923 /nfs/dbraw/zinc/49/19/23/571491923.db2.gz KCGHTFCIFDOJGC-UHFFFAOYSA-N -2 3 638.982 7.118 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2Cl)c1 ZINC000150428849 571492468 /nfs/dbraw/zinc/49/24/68/571492468.db2.gz YRIJQDYDBSPKIO-UHFFFAOYSA-N -2 3 648.988 6.573 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2C)cc1C ZINC000150429008 571492485 /nfs/dbraw/zinc/49/24/85/571492485.db2.gz UYBYKJPFJNMNNR-UHFFFAOYSA-N -2 3 628.570 6.228 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2Cl)c1C ZINC000150434207 571494678 /nfs/dbraw/zinc/49/46/78/571494678.db2.gz RYRJWBBMRXDIOI-UHFFFAOYSA-N -2 3 648.988 6.573 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2Cl)cc1C ZINC000150434316 571494889 /nfs/dbraw/zinc/49/48/89/571494889.db2.gz ZMIORHFHVJSWLG-UHFFFAOYSA-N -2 3 638.982 7.118 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)c2)cc1 ZINC000215960324 571589598 /nfs/dbraw/zinc/58/95/98/571589598.db2.gz UFTHTBCZAROFNO-UHFFFAOYSA-N -2 3 606.125 6.656 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)cc2)cc1Cl ZINC000215961570 571589720 /nfs/dbraw/zinc/58/97/20/571589720.db2.gz RORSXMHHQHIARH-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000215994719 571591091 /nfs/dbraw/zinc/59/10/91/571591091.db2.gz UASYDZOUTWZKDR-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216002782 571591441 /nfs/dbraw/zinc/59/14/41/571591441.db2.gz JADXTLBVRHJANX-UHFFFAOYSA-N -2 3 592.098 6.347 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000216229798 571593654 /nfs/dbraw/zinc/59/36/54/571593654.db2.gz RWTIHBUMCZYTHR-UHFFFAOYSA-N -2 3 620.934 5.956 40 0 KKABHL Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224883706 571626420 /nfs/dbraw/zinc/62/64/20/571626420.db2.gz VGALNHUNEKJFGX-ZEQRLZLVSA-N -2 3 505.983 5.884 40 0 KKABHL O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224884035 571626487 /nfs/dbraw/zinc/62/64/87/571626487.db2.gz PDYMHPQLZUJZSL-XZOQPEGZSA-N -2 3 526.401 6.229 40 0 KKABHL COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)ccc1[N-]S(C)(=O)=O ZINC000225440204 571810317 /nfs/dbraw/zinc/81/03/17/571810317.db2.gz DFGLDJITTVUOQI-DQEYMECFSA-N -2 3 599.090 5.250 40 0 KKABHL COC(OC)c1c([O-])c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263593700 572127308 /nfs/dbraw/zinc/12/73/08/572127308.db2.gz BOWLQQJFDGRYHV-DJDHGDDESA-N -2 3 771.857 5.046 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c(C)c1 ZINC000408543270 572212150 /nfs/dbraw/zinc/21/21/50/572212150.db2.gz CLSBYAZVRKEEAG-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408543487 572212580 /nfs/dbraw/zinc/21/25/80/572212580.db2.gz DSWAPDKEOLROAM-UHFFFAOYSA-N -2 3 586.489 5.303 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2C)c(C)c1 ZINC000408544242 572214761 /nfs/dbraw/zinc/21/47/61/572214761.db2.gz BRBFNLVYMNWSMW-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)c1 ZINC000408544251 572214888 /nfs/dbraw/zinc/21/48/88/572214888.db2.gz BYQMPADXUKMQEZ-UHFFFAOYSA-N -2 3 585.707 6.311 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)cc1 ZINC000408544592 572215995 /nfs/dbraw/zinc/21/59/95/572215995.db2.gz HXKBKBCTTWICBG-UHFFFAOYSA-N -2 3 593.727 5.864 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ccc1Cl ZINC000408545028 572217261 /nfs/dbraw/zinc/21/72/61/572217261.db2.gz NOLWVIAUCZJCGX-UHFFFAOYSA-N -2 3 574.055 5.641 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2Cl)cc1 ZINC000408545794 572221253 /nfs/dbraw/zinc/22/12/53/572221253.db2.gz AELHDSYVRQPTON-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cc2)cc1 ZINC000408546493 572223150 /nfs/dbraw/zinc/22/31/50/572223150.db2.gz DVYIKWRKNCCGOH-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)cc2)cc1 ZINC000408546507 572223275 /nfs/dbraw/zinc/22/32/75/572223275.db2.gz SZMDTWOTDUZQNX-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)c(OC)c1 ZINC000408546744 572223681 /nfs/dbraw/zinc/22/36/81/572223681.db2.gz UULDTAAIIXQRHW-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408547556 572226192 /nfs/dbraw/zinc/22/61/92/572226192.db2.gz ZRVSHCSPCPAISD-UHFFFAOYSA-N -2 3 557.653 5.694 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)cc1 ZINC000408548229 572228318 /nfs/dbraw/zinc/22/83/18/572228318.db2.gz QSDUBOFJVYQORK-UHFFFAOYSA-N -2 3 593.727 5.864 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2C)c1 ZINC000408548466 572228976 /nfs/dbraw/zinc/22/89/76/572228976.db2.gz SDUDITNGSMKXPI-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000408549387 572232072 /nfs/dbraw/zinc/23/20/72/572232072.db2.gz YRZAJCGDOWYWPE-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL CCc1nc(SC(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)[O-])n[n-]1 ZINC000408630806 572286537 /nfs/dbraw/zinc/28/65/37/572286537.db2.gz CUVCENUEDVKJFY-BKUYFWCQSA-N -2 3 510.413 6.080 40 0 KKABHL CCc1nc(SC(=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408630838 572286750 /nfs/dbraw/zinc/28/67/50/572286750.db2.gz DCEYZLIRPFAQLN-YVLHZVERSA-N -2 3 524.824 5.588 40 0 KKABHL CCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408633063 572289675 /nfs/dbraw/zinc/28/96/75/572289675.db2.gz VOPQIWYFLSOSCN-YVLHZVERSA-N -2 3 571.824 5.431 40 0 KKABHL CCCc1nc(SC(=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408633058 572289744 /nfs/dbraw/zinc/28/97/44/572289744.db2.gz VNSZWWDPTBZRIP-UNOMPAQXSA-N -2 3 504.406 5.325 40 0 KKABHL CCN(CC)C(=O)COc1cc2c([O-])c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC=C(C)C(=O)N2 ZINC000253740511 572302032 /nfs/dbraw/zinc/30/20/32/572302032.db2.gz VFYNXKZVOUXHDX-DFEMNKRGSA-N -2 3 810.938 5.296 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c(Cl)c1Cl ZINC000409123750 1070545355 /nfs/dbraw/zinc/54/53/55/1070545355.db2.gz DMWSTDNEXHOHNZ-UHFFFAOYSA-N -2 3 589.828 6.276 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Br)cc1 ZINC000408906874 1070893741 /nfs/dbraw/zinc/89/37/41/1070893741.db2.gz JSDFMIXWLGZRHO-UHFFFAOYSA-N -2 3 535.363 5.070 40 0 KKABHL CCn1c(C)c(C(=O)OC)c2c1c1c3c4c(C)c([O-])c1c([O-])c2NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263603233 1071324343 /nfs/dbraw/zinc/32/43/43/1071324343.db2.gz NGYYYQSYTAPXRX-GVVYGILJSA-N -2 3 820.933 6.118 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715044 1071471654 /nfs/dbraw/zinc/47/16/54/1071471654.db2.gz YOOZKSZHCGBKSV-UHFFFAOYSA-N -2 3 573.762 5.335 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714755 1071474292 /nfs/dbraw/zinc/47/42/92/1071474292.db2.gz NPAGEMQZRINOOF-UHFFFAOYSA-N -2 3 594.180 5.598 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714585 1071476222 /nfs/dbraw/zinc/47/62/22/1071476222.db2.gz HLGPXTWZGFUVIJ-UHFFFAOYSA-N -2 3 638.631 5.789 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)cc1 ZINC000408712535 1071481571 /nfs/dbraw/zinc/48/15/71/1071481571.db2.gz HDTBYDIURRJRJB-UHFFFAOYSA-N -2 3 585.707 6.311 40 0 KKABHL Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712534 1071481753 /nfs/dbraw/zinc/48/17/53/1071481753.db2.gz GZAHBBHHYHVXAM-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711430 1071492494 /nfs/dbraw/zinc/49/24/94/1071492494.db2.gz WMHKURQDGURJRP-UHFFFAOYSA-N -2 3 600.516 5.611 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408711209 1071500878 /nfs/dbraw/zinc/50/08/78/1071500878.db2.gz IFDNEEHMXCLORA-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409028442 1071812379 /nfs/dbraw/zinc/81/23/79/1071812379.db2.gz MNCQTKSPBCWEFF-UHFFFAOYSA-N -2 3 505.832 5.557 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OCc1ccc(Br)cc1 ZINC000409366238 1072574460 /nfs/dbraw/zinc/57/44/60/1072574460.db2.gz SZYVAWXISMXNOA-UHFFFAOYSA-N -2 3 513.392 5.081 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)c(OC)c1 ZINC000409409548 1072809755 /nfs/dbraw/zinc/80/97/55/1072809755.db2.gz HVVPDUBOKFMHNY-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cc2)c(OC)c1 ZINC000409409147 1072813238 /nfs/dbraw/zinc/81/32/38/1072813238.db2.gz NJVIWGPCWGRYNG-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2Cl)cc1C ZINC000409407680 1072820978 /nfs/dbraw/zinc/82/09/78/1072820978.db2.gz GPOFRYRKYMXGSW-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL [O-]c1ccccc1-c1cc(-c2ccccc2)nc(NCCCCNc2nc(-c3ccccc3)cc(-c3ccccc3[O-])n2)n1 ZINC000001578296 551684976 /nfs/dbraw/zinc/68/49/76/551684976.db2.gz YIOBBNGBHDRRLV-UHFFFAOYSA-N -2 3 580.692 7.650 40 0 KKABHL CCc1ccccc1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)[N-]c4ccccc4CC)cc3c2c1 ZINC000005940847 552513635 /nfs/dbraw/zinc/51/36/35/552513635.db2.gz DWRNFTMSCDATBY-UHFFFAOYSA-N -2 3 534.659 6.312 40 0 KKABHL CC(C)(C)c1cc(C(=O)c2ccccc2)cc(Cc2cc(C(=O)c3ccccc3)cc(C(C)(C)C)c2[O-])c1[O-] ZINC000012365004 553359702 /nfs/dbraw/zinc/35/97/02/553359702.db2.gz NUMQHHLIYYKTPM-UHFFFAOYSA-N -2 3 520.669 7.746 40 0 KKABHL O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000014225001 553506454 /nfs/dbraw/zinc/50/64/54/553506454.db2.gz SGLSKCMCKBVBSW-UHFFFAOYSA-N -2 3 507.420 5.748 40 0 KKABHL O=C([N-]C(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)C(Cl)(Cl)Cl ZINC000100310762 554300630 /nfs/dbraw/zinc/30/06/30/554300630.db2.gz VSAOYSGQSNIYAE-UHFFFAOYSA-N -2 3 509.596 5.146 40 0 KKABHL O=S(=O)([N-]c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1 ZINC000059662091 554420400 /nfs/dbraw/zinc/42/04/00/554420400.db2.gz MQNAXDGDCAVZQH-UHFFFAOYSA-N -2 3 565.525 6.746 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059852433 554451200 /nfs/dbraw/zinc/45/12/00/554451200.db2.gz RUAGVGPSOXKCJM-UHFFFAOYSA-N -2 3 549.457 6.387 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000059852453 554451238 /nfs/dbraw/zinc/45/12/38/554451238.db2.gz IHYWYDYTEPIREP-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059853195 554453823 /nfs/dbraw/zinc/45/38/23/554453823.db2.gz BUNFZVBASVJJLJ-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc(Br)c1[O-] ZINC000101620442 554809132 /nfs/dbraw/zinc/80/91/32/554809132.db2.gz IIXABSQWENSRHU-VWLOTQADSA-N -3 3 561.436 5.331 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000105447671 571404989 /nfs/dbraw/zinc/40/49/89/571404989.db2.gz KDPJICIECBDKAN-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)ccc2Cl)c1 ZINC000106081938 571411162 /nfs/dbraw/zinc/41/11/62/571411162.db2.gz DEDXANSYIZFVDC-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)cc1C ZINC000108180181 571422576 /nfs/dbraw/zinc/42/25/76/571422576.db2.gz LATYVJIWMBDXNV-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2C)c1 ZINC000108278177 571423025 /nfs/dbraw/zinc/42/30/25/571423025.db2.gz FBHAVCBUEYHQCJ-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2C)cc1 ZINC000108296470 571423056 /nfs/dbraw/zinc/42/30/56/571423056.db2.gz KBEQHKOTZGVSRH-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000109273853 571428839 /nfs/dbraw/zinc/42/88/39/571428839.db2.gz PVDMPSPTXNLARO-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c1 ZINC000109612831 571429547 /nfs/dbraw/zinc/42/95/47/571429547.db2.gz BXURIYXDFNOGMR-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2Cl)cc1 ZINC000109683747 571429791 /nfs/dbraw/zinc/42/97/91/571429791.db2.gz LAEHJZWYIWUGID-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2C)c(C)c1 ZINC000109769665 571429963 /nfs/dbraw/zinc/42/99/63/571429963.db2.gz UDMFZDHTMBPXPA-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c1 ZINC000110061948 571430636 /nfs/dbraw/zinc/43/06/36/571430636.db2.gz OBRXJSGUPYESJZ-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2Cl)c(C)c1 ZINC000110360923 571431062 /nfs/dbraw/zinc/43/10/62/571431062.db2.gz KLOMABUOJYENEY-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1ccccc1Cl ZINC000112265251 571438274 /nfs/dbraw/zinc/43/82/74/571438274.db2.gz GCLYWMUPHVFUJQ-UHFFFAOYSA-N -2 3 580.810 5.187 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000112265354 571438283 /nfs/dbraw/zinc/43/82/83/571438283.db2.gz FLJVYBPWIKUZQD-UHFFFAOYSA-N -2 3 596.425 5.686 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000113620356 571441008 /nfs/dbraw/zinc/44/10/08/571441008.db2.gz PMRDFQOENZHLBI-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL CC[C@@H](C)Oc1ccc(C(c2c(=O)[n-]c(=S)n(-c3ccc(C)cc3C)c2[O-])c2c(=O)[n-]c(=S)n(-c3ccc(C)cc3C)c2[O-])cc1 ZINC000150348320 571461091 /nfs/dbraw/zinc/46/10/91/571461091.db2.gz NFASIYHGQJSDJJ-PQZDRDKWSA-N -4 3 656.830 5.309 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2Cl)c1 ZINC000150427506 571491612 /nfs/dbraw/zinc/49/16/12/571491612.db2.gz RBXBJRKZKJKVCV-UHFFFAOYSA-N -2 3 672.534 7.483 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2Cl)cc1 ZINC000150434228 571494734 /nfs/dbraw/zinc/49/47/34/571494734.db2.gz PYTGNPAOBVHRIW-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150442074 571498782 /nfs/dbraw/zinc/49/87/82/571498782.db2.gz JDYFLUQEUCZGIE-UHFFFAOYSA-N -2 3 629.282 6.230 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2Cl)cc1 ZINC000198286049 571566771 /nfs/dbraw/zinc/56/67/71/571566771.db2.gz IANDJGZBYFMSKG-UHFFFAOYSA-N -2 3 634.961 6.265 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)c1 ZINC000216356065 571595249 /nfs/dbraw/zinc/59/52/49/571595249.db2.gz PYMMPSYFAZJEOM-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])[C@@H](C)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000218899569 571603920 /nfs/dbraw/zinc/60/39/20/571603920.db2.gz MOBQPYAZFMYGKM-MFIBOOTFSA-N -2 3 663.822 8.176 40 0 KKABHL CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H](C(=O)[O-])[C@@H](C)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000218899569 571603922 /nfs/dbraw/zinc/60/39/22/571603922.db2.gz MOBQPYAZFMYGKM-MFIBOOTFSA-N -2 3 663.822 8.176 40 0 KKABHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224882685 571626306 /nfs/dbraw/zinc/62/63/06/571626306.db2.gz FGBIJCQQAVFCPU-DHIUTWEWSA-N -3 3 535.965 5.274 40 0 KKABHL Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224883588 571626417 /nfs/dbraw/zinc/62/64/17/571626417.db2.gz VGALNHUNEKJFGX-DNQXCXABSA-N -2 3 505.983 5.884 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2Cl)c1C ZINC000408543926 572214283 /nfs/dbraw/zinc/21/42/83/572214283.db2.gz GCLLHMMICRCVRP-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)c1 ZINC000408544214 572214838 /nfs/dbraw/zinc/21/48/38/572214838.db2.gz AIAHXLLNNNDOMP-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1 ZINC000408545733 572220719 /nfs/dbraw/zinc/22/07/19/572220719.db2.gz NLYXYIOPDDQNHC-UHFFFAOYSA-N -2 3 586.091 5.511 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2Cl)c1 ZINC000408545835 572221174 /nfs/dbraw/zinc/22/11/74/572221174.db2.gz ANNNWZOCLZHXNB-UHFFFAOYSA-N -2 3 648.988 6.573 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2Cl)c1 ZINC000408546784 572224020 /nfs/dbraw/zinc/22/40/20/572224020.db2.gz VUQUHWSKURDAEO-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000408546913 572224548 /nfs/dbraw/zinc/22/45/48/572224548.db2.gz HFQDRIYIHNNJGY-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)ccc2Cl)c1C ZINC000408547239 572224625 /nfs/dbraw/zinc/22/46/25/572224625.db2.gz XJQHZFWCLMFKKH-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)c(C)c1 ZINC000408547233 572224735 /nfs/dbraw/zinc/22/47/35/572224735.db2.gz XGIITMJYQYRWEF-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2Cl)c1C ZINC000408547330 572225254 /nfs/dbraw/zinc/22/52/54/572225254.db2.gz YXTZVWKLYRLLML-UHFFFAOYSA-N -2 3 672.534 7.483 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2Cl)c1C ZINC000408547760 572226859 /nfs/dbraw/zinc/22/68/59/572226859.db2.gz MJZMVTZBRUKXOW-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)c1 ZINC000408548760 572229881 /nfs/dbraw/zinc/22/98/81/572229881.db2.gz UQTSPTDZVSDTBJ-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2C)cc1 ZINC000408549528 572231963 /nfs/dbraw/zinc/23/19/63/572231963.db2.gz ZMIZFKVNUDMVPY-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000408549564 572232407 /nfs/dbraw/zinc/23/24/07/572232407.db2.gz ZYJFDIWVAUYGAC-UHFFFAOYSA-N -2 3 593.727 5.783 40 0 KKABHL CCCc1nc(SC(=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408630481 572286163 /nfs/dbraw/zinc/28/61/63/572286163.db2.gz ADWHZQSQENEBIC-WQRHYEAKSA-N -2 3 538.851 5.979 40 0 KKABHL CCc1nc(SC(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)[O-])n[n-]1 ZINC000408630736 572286602 /nfs/dbraw/zinc/28/66/02/572286602.db2.gz CGUSOZJIYZLROE-APSNUPSMSA-N -2 3 702.139 6.680 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)[O-])n[n-]1 ZINC000408632271 572288610 /nfs/dbraw/zinc/28/86/10/572288610.db2.gz PLZOEZYTOQGZEW-IUXPMGMMSA-N -2 3 716.166 7.070 40 0 KKABHL CCCc1nc(SC(=Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408632906 572289426 /nfs/dbraw/zinc/28/94/26/572289426.db2.gz UXHPCMAMRQVOAQ-WQRHYEAKSA-N -2 3 522.396 5.464 40 0 KKABHL CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(=O)[O-])n[n-]1 ZINC000408633198 572289855 /nfs/dbraw/zinc/28/98/55/572289855.db2.gz XAFCIBISZYOJQM-JAIQZWGSSA-N -2 3 508.427 6.260 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409181557 1070599215 /nfs/dbraw/zinc/59/92/15/1070599215.db2.gz CNUQGIVDBWGOST-UHFFFAOYSA-N -2 3 549.425 5.844 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409410252 1070919794 /nfs/dbraw/zinc/91/97/94/1070919794.db2.gz LRZKMDDAIQQUDP-UHFFFAOYSA-N -2 3 610.035 6.213 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCOCC1 ZINC000408715015 1071471607 /nfs/dbraw/zinc/47/16/07/1071471607.db2.gz WDVGKICMNYJLQH-UHFFFAOYSA-N -2 3 650.122 5.155 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408715038 1071471843 /nfs/dbraw/zinc/47/18/43/1071471843.db2.gz YITFVXZGTFOELG-UHFFFAOYSA-N -2 3 613.705 5.655 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCC1 ZINC000408714743 1071474422 /nfs/dbraw/zinc/47/44/22/1071474422.db2.gz MVEKXBDQCDIRCH-UHFFFAOYSA-N -2 3 580.153 5.208 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714607 1071476082 /nfs/dbraw/zinc/47/60/82/1071476082.db2.gz JXKWENGCJSADIC-UHFFFAOYSA-N -2 3 648.150 6.308 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)c2C)cc1 ZINC000408712173 1071487027 /nfs/dbraw/zinc/48/70/27/1071487027.db2.gz LZCJBNLNGIKHLL-UHFFFAOYSA-N -2 3 585.707 6.311 40 0 KKABHL Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408711376 1071498992 /nfs/dbraw/zinc/49/89/92/1071498992.db2.gz PFMIPHUKGUZXOE-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409169756 1072747955 /nfs/dbraw/zinc/74/79/55/1072747955.db2.gz ZFNBJGMNMWZVLT-UHFFFAOYSA-N -2 3 559.802 6.267 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409412109 1072789872 /nfs/dbraw/zinc/78/98/72/1072789872.db2.gz RISCTGYGVYXBQE-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cc2)cc1 ZINC000409411902 1072792715 /nfs/dbraw/zinc/79/27/15/1072792715.db2.gz NEJQHGGMUDOTDL-UHFFFAOYSA-N -2 3 586.091 5.511 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2Cl)cc1 ZINC000409410694 1072802923 /nfs/dbraw/zinc/80/29/23/1072802923.db2.gz OMOFAJJMGPEMDK-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2Cl)c(C)c1 ZINC000409410288 1072806398 /nfs/dbraw/zinc/80/63/98/1072806398.db2.gz MDAZEXJXNGNSFW-UHFFFAOYSA-N -2 3 620.152 6.964 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000409408874 1072813276 /nfs/dbraw/zinc/81/32/76/1072813276.db2.gz DUGOGPHOGUMYEQ-UHFFFAOYSA-N -2 3 620.934 5.956 40 0 KKABHL CC(=O)Oc1c(Cc2cc(Cl)cc(C(C)=O)c2[O-])cc(Cl)cc1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000001680972 551688887 /nfs/dbraw/zinc/68/88/87/551688887.db2.gz SGSHUQKNFQYIFL-UHFFFAOYSA-N -2 3 535.807 6.570 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000020461738 553656135 /nfs/dbraw/zinc/65/61/35/553656135.db2.gz PEOPLHZRSUMDGX-UHFFFAOYSA-N -2 3 508.621 5.697 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1Cl ZINC000100093637 554213982 /nfs/dbraw/zinc/21/39/82/554213982.db2.gz WDEBFDMDZSOOJM-UHFFFAOYSA-N -2 3 519.859 5.698 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)cc2)cc1 ZINC000059923062 554472928 /nfs/dbraw/zinc/47/29/28/554472928.db2.gz HJYHGUATKPAZMP-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)c(Cl)c3)cc2)c(OC)c1 ZINC000060042847 554497039 /nfs/dbraw/zinc/49/70/39/554497039.db2.gz UKQQFNGUPKEYNY-UHFFFAOYSA-N -2 3 616.117 5.520 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)cc2)c1 ZINC000060059938 554498134 /nfs/dbraw/zinc/49/81/34/554498134.db2.gz YLFXOVDIPQBKOJ-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)c(Cl)c2)cc1 ZINC000060060951 554501454 /nfs/dbraw/zinc/50/14/54/554501454.db2.gz QFDHUDCLXPCCCA-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1 ZINC000102622885 554987686 /nfs/dbraw/zinc/98/76/86/554987686.db2.gz QHEYVDAKIVPMSO-UHFFFAOYSA-N -2 3 597.523 5.428 40 0 KKABHL COc1ccc(C(=O)[C@@H](CC2=C([O-])C(=C([O-])C(=O)Nc3c(C)cccc3C)C(C)(C)CC2=O)c2ccc(OC)cc2)cc1 ZINC000102946413 555171915 /nfs/dbraw/zinc/17/19/15/555171915.db2.gz NKWMHORWBJWYDH-GKRYNVPLSA-N -2 3 583.681 5.686 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000105820759 571408844 /nfs/dbraw/zinc/40/88/44/571408844.db2.gz BEOHEOFYKUCKRG-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1 ZINC000106063382 571411250 /nfs/dbraw/zinc/41/12/50/571411250.db2.gz BECZEWVOSUJURF-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2C)cc1C ZINC000106189686 571411649 /nfs/dbraw/zinc/41/16/49/571411649.db2.gz IMENSMYVIUCQKI-UHFFFAOYSA-N -2 3 617.671 6.485 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2C)c1 ZINC000106576554 571413049 /nfs/dbraw/zinc/41/30/49/571413049.db2.gz WTHFWIDDSDGCPG-UHFFFAOYSA-N -2 3 567.664 5.605 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000107919868 571421675 /nfs/dbraw/zinc/42/16/75/571421675.db2.gz KEHOLYYAAFWISN-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)cc1 ZINC000108213332 571422683 /nfs/dbraw/zinc/42/26/83/571422683.db2.gz SLFMSMNVCDEZMH-UHFFFAOYSA-N -2 3 585.707 6.311 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)ccc2Cl)cc1C ZINC000109028041 571428090 /nfs/dbraw/zinc/42/80/90/571428090.db2.gz FVDYZYUGPHALNP-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2Cl)c(C)c1 ZINC000109077549 571428394 /nfs/dbraw/zinc/42/83/94/571428394.db2.gz SMRZQBYFIDZVSA-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2Cl)c1 ZINC000110066098 571430620 /nfs/dbraw/zinc/43/06/20/571430620.db2.gz YUSJHMHWLJJDEK-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c1 ZINC000110114393 571430756 /nfs/dbraw/zinc/43/07/56/571430756.db2.gz PIXYSLFRXOBDHK-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2C)c1 ZINC000110131192 571430774 /nfs/dbraw/zinc/43/07/74/571430774.db2.gz WWAGXOVJXKVBPE-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000113619351 571440797 /nfs/dbraw/zinc/44/07/97/571440797.db2.gz MJZFMNCSRYHLOK-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)c2C)cc1 ZINC000113619680 571440817 /nfs/dbraw/zinc/44/08/17/571440817.db2.gz UYSLJXZIQDYDHE-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2C)cc1 ZINC000113620531 571441018 /nfs/dbraw/zinc/44/10/18/571441018.db2.gz VEFLPSYVDOFUNC-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)c2C)cc1 ZINC000113621442 571441173 /nfs/dbraw/zinc/44/11/73/571441173.db2.gz GMZVRGRDZDVXFX-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000113621021 571441239 /nfs/dbraw/zinc/44/12/39/571441239.db2.gz OIPZKVBOGMMIHT-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000139983726 571454351 /nfs/dbraw/zinc/45/43/51/571454351.db2.gz WPNHSEUYYMRRGI-UHFFFAOYSA-N -2 3 600.118 5.819 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000140044798 571454554 /nfs/dbraw/zinc/45/45/54/571454554.db2.gz FXFNNWCLNYIEBE-UHFFFAOYSA-N -2 3 548.564 6.099 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000140053591 571454690 /nfs/dbraw/zinc/45/46/90/571454690.db2.gz DSKFAHILTJETDJ-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)cc2)c1 ZINC000140090251 571454998 /nfs/dbraw/zinc/45/49/98/571454998.db2.gz KDHRAIREIYJHIL-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=C(/C=C/c1ccccc1)Nc1cc(C(c2ccc([O-])c(NC(=O)/C=C/c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)ccc1[O-] ZINC000150383839 571468013 /nfs/dbraw/zinc/46/80/13/571468013.db2.gz AWLYOQYPJYWGLS-JYFOCSDGSA-N -2 3 626.553 7.812 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000150426478 571490771 /nfs/dbraw/zinc/49/07/71/571490771.db2.gz PSUKMIMBYRKROH-UHFFFAOYSA-N -2 3 644.480 6.866 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)c(Cl)c2)cc1 ZINC000197963091 571566243 /nfs/dbraw/zinc/56/62/43/571566243.db2.gz UFYRVGLEFZMTSN-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000198284533 571566788 /nfs/dbraw/zinc/56/67/88/571566788.db2.gz LORUJGVXHZRJNM-UHFFFAOYSA-N -2 3 644.480 6.866 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215909480 571587381 /nfs/dbraw/zinc/58/73/81/571587381.db2.gz QTKAOHIZNYGFDH-UHFFFAOYSA-N -2 3 610.035 6.213 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000215953832 571589122 /nfs/dbraw/zinc/58/91/22/571589122.db2.gz MNPOPEDMEFXBDK-UHFFFAOYSA-N -2 3 592.098 6.347 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2Cl)cc1 ZINC000216008414 571591711 /nfs/dbraw/zinc/59/17/11/571591711.db2.gz SCEMAARBSNPDIL-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1N1CCCC1=O ZINC000216017547 571592085 /nfs/dbraw/zinc/59/20/85/571592085.db2.gz VHNVBDMCBBVQRE-UHFFFAOYSA-N -2 3 588.029 5.396 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)c2)cc1 ZINC000216224672 571593635 /nfs/dbraw/zinc/59/36/35/571593635.db2.gz WLJACAICIJHEJT-UHFFFAOYSA-N -2 3 658.507 7.175 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)c(Cl)c2)cc1 ZINC000216289181 571594293 /nfs/dbraw/zinc/59/42/93/571594293.db2.gz TUEWABLXLUWLSG-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000216327497 571594755 /nfs/dbraw/zinc/59/47/55/571594755.db2.gz ITNUKIPSFRISOT-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408542915 572211647 /nfs/dbraw/zinc/21/16/47/572211647.db2.gz BETUMSALAGJBKZ-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408543349 572212635 /nfs/dbraw/zinc/21/26/35/572212635.db2.gz OGNUHVSUZHRIMU-UHFFFAOYSA-N -2 3 508.987 5.339 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)c(OC)c1 ZINC000408543537 572212803 /nfs/dbraw/zinc/21/28/03/572212803.db2.gz FBTDIAFHGLKLGA-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4Cl)cc3)ccc2Cl)c1 ZINC000408546048 572221651 /nfs/dbraw/zinc/22/16/51/572221651.db2.gz PUWLYXOYEMAQOP-UHFFFAOYSA-N -2 3 638.982 7.118 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2Cl)c(C)c1 ZINC000408546533 572223214 /nfs/dbraw/zinc/22/32/14/572223214.db2.gz FDDJDIXBUPOYHO-UHFFFAOYSA-N -2 3 638.982 7.118 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)ccc2C)cc1 ZINC000408546792 572224262 /nfs/dbraw/zinc/22/42/62/572224262.db2.gz VXARZCFDHHWYEH-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408546828 572224274 /nfs/dbraw/zinc/22/42/74/572224274.db2.gz WJDFZWGCBWGTKC-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1C ZINC000408547272 572225321 /nfs/dbraw/zinc/22/53/21/572225321.db2.gz YCZABIFZIWZBER-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)c(C)c1 ZINC000408547678 572226664 /nfs/dbraw/zinc/22/66/64/572226664.db2.gz LDZBUDMPEPWUGI-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408548112 572227884 /nfs/dbraw/zinc/22/78/84/572227884.db2.gz PIRVGMXZMFPLRS-UHFFFAOYSA-N -2 3 502.561 5.029 40 0 KKABHL CCc1nc(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2F)C(=O)[O-])n[n-]1 ZINC000408630766 572286627 /nfs/dbraw/zinc/28/66/27/572286627.db2.gz CNBRAISQCBUQMR-PXNMLYILSA-N -2 3 651.239 5.512 40 0 KKABHL CCCc1nc(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])n[n-]1 ZINC000408631234 572287108 /nfs/dbraw/zinc/28/71/08/572287108.db2.gz GQKYVRPKTSCLIP-MTJSOVHGSA-N -2 3 501.439 6.593 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408631153 572287150 /nfs/dbraw/zinc/28/71/50/572287150.db2.gz FJAFFQSZWFCFTE-NVMNQCDNSA-N -2 3 620.296 6.474 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cc(Br)cc(Br)c1[O-] ZINC000101114924 1069699691 /nfs/dbraw/zinc/69/96/91/1069699691.db2.gz JPYCGOMDJPNAQP-UHFFFAOYSA-N -3 3 610.306 6.497 40 0 KKABHL O=c1[n-]c(-c2cc(I)c([O-])c(I)c2)nc2sc3c(c21)CCCCCC3 ZINC000408989521 1070353871 /nfs/dbraw/zinc/35/38/71/1070353871.db2.gz KZHUPMGPJJALIR-UHFFFAOYSA-N -2 3 578.213 5.638 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1Br ZINC000409024306 1070407553 /nfs/dbraw/zinc/40/75/53/1070407553.db2.gz JNTZAXGXAUJOKJ-UHFFFAOYSA-N -2 3 566.282 5.366 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(Cl)c1Cl ZINC000409127837 1070554975 /nfs/dbraw/zinc/55/49/75/1070554975.db2.gz RRXXXBWGBRRNPY-UHFFFAOYSA-N -2 3 515.440 5.220 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2Cl)c1C ZINC000409410035 1070919885 /nfs/dbraw/zinc/91/98/85/1070919885.db2.gz KQIFJTZVEOIGSK-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1F ZINC000408696318 1071380989 /nfs/dbraw/zinc/38/09/89/1071380989.db2.gz ZRKWNCWXHAKJNX-UHFFFAOYSA-N -2 3 538.928 5.108 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C(C)C ZINC000408695643 1071383794 /nfs/dbraw/zinc/38/37/94/1071383794.db2.gz XAFUHYJCMPSJCO-UHFFFAOYSA-N -2 3 529.467 5.727 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C(C)C ZINC000408694718 1071386978 /nfs/dbraw/zinc/38/69/78/1071386978.db2.gz LVZRTYRUDCCXSX-UHFFFAOYSA-N -2 3 509.049 5.382 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715033 1071471681 /nfs/dbraw/zinc/47/16/81/1071471681.db2.gz YAEMIVVFGLWHMZ-UHFFFAOYSA-N -2 3 587.789 5.643 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCC4)c3)cc2)cc1 ZINC000408715065 1071472617 /nfs/dbraw/zinc/47/26/17/1071472617.db2.gz ZXIKRWCYZMBSSV-UHFFFAOYSA-N -2 3 589.761 5.035 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714732 1071474243 /nfs/dbraw/zinc/47/42/43/1071474243.db2.gz MFPWUJMFRHOZJF-UHFFFAOYSA-N -2 3 573.762 5.335 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000408714524 1071475218 /nfs/dbraw/zinc/47/52/18/1071475218.db2.gz ADAYVNCQRQREMV-UHFFFAOYSA-N -2 3 603.788 5.199 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)cc4)c3)cc2)c(OC)c1 ZINC000408711341 1071497185 /nfs/dbraw/zinc/49/71/85/1071497185.db2.gz KEQHWUYONHMCRH-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2Cl)c1 ZINC000409412736 1072786500 /nfs/dbraw/zinc/78/65/00/1072786500.db2.gz ZVGRUVLXJWODTO-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2Cl)cc1 ZINC000409411057 1072797629 /nfs/dbraw/zinc/79/76/29/1072797629.db2.gz SWVGQLISLDHRDY-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2Cl)c1 ZINC000409410413 1072805081 /nfs/dbraw/zinc/80/50/81/1072805081.db2.gz WSTDEXKXBSJNHG-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)ccc1Cl ZINC000409410436 1072805279 /nfs/dbraw/zinc/80/52/79/1072805279.db2.gz XDDPJQZSXATPPP-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2Cl)c1 ZINC000409408646 1072814861 /nfs/dbraw/zinc/81/48/61/1072814861.db2.gz KKAUNBKBMFMDQC-UHFFFAOYSA-N -2 3 658.507 7.175 40 0 KKABHL CCOC(=O)c1c(C)[nH]c2c1c1c([O-])c3c([O-])c(C)c4c(c23)C(=O)[C@](C)(O4)OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC=C(C)C(=O)N1 ZINC001260493777 1072918427 /nfs/dbraw/zinc/91/84/27/1072918427.db2.gz QHJZCLDQJWBCOB-AGBGPJNDSA-N -2 3 806.906 6.015 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3c2c1 ZINC000409223639 1072986699 /nfs/dbraw/zinc/98/66/99/1072986699.db2.gz IZTCJZJFQFFSHN-UHFFFAOYSA-N -2 3 575.495 7.111 40 0 KKABHL O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000000826741 551544861 /nfs/dbraw/zinc/54/48/61/551544861.db2.gz KITZQLXVKTXFJM-UHFFFAOYSA-N -2 3 533.458 6.262 40 0 KKABHL O=S(=O)([N-]c1ccc(F)cc1)c1ccc2oc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3c2c1 ZINC000005942051 552514462 /nfs/dbraw/zinc/51/44/62/552514462.db2.gz YZBQFKKYWNLWFO-UHFFFAOYSA-N -2 3 514.531 5.466 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1Cl ZINC000014154209 553503978 /nfs/dbraw/zinc/50/39/78/553503978.db2.gz RFIOVKOWJZVYKS-UHFFFAOYSA-N -2 3 503.001 5.103 40 0 KKABHL COc1cc(C)c2c(c1)O[C@]1(C)Cc3cc4c(c([O-])c3[C@H]2O1)C(=O)c1c([O-])c(Cl)c([O-])c(Cl)c1C4(C)C ZINC000085728085 553686555 /nfs/dbraw/zinc/68/65/55/553686555.db2.gz ZGJMIZXNGYVIRM-XCZPVHLTSA-N -3 3 543.399 6.068 40 0 biogenic,in-vitro KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)cc2)c1 ZINC000100094065 554214374 /nfs/dbraw/zinc/21/43/74/554214374.db2.gz VMCNAHRJZGDXIK-UHFFFAOYSA-N -2 3 541.676 5.219 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000100096121 554217049 /nfs/dbraw/zinc/21/70/49/554217049.db2.gz JISMEGOUXVDMBG-UHFFFAOYSA-N -2 3 541.676 5.219 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059852414 554451294 /nfs/dbraw/zinc/45/12/94/554451294.db2.gz PHFAVGCKRBEUIH-UHFFFAOYSA-N -2 3 560.028 5.333 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059852510 554451576 /nfs/dbraw/zinc/45/15/76/554451576.db2.gz DQLOVWCVCPNVMT-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)c1 ZINC000059852892 554452889 /nfs/dbraw/zinc/45/28/89/554452889.db2.gz SIHZFNNFFQLOSI-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000060028569 554493541 /nfs/dbraw/zinc/49/35/41/554493541.db2.gz JNROVHCCKUZGGK-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)c(Cl)c2)cc1 ZINC000060060547 554499715 /nfs/dbraw/zinc/49/97/15/554499715.db2.gz YSMAZRYUVRWNPV-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000060060848 554501018 /nfs/dbraw/zinc/50/10/18/554501018.db2.gz ALYKENWAKCFVCW-UHFFFAOYSA-N -2 3 610.928 6.501 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)c2)cc1 ZINC000060060958 554501401 /nfs/dbraw/zinc/50/14/01/554501401.db2.gz FOEVKURXCDMHDS-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)c(C)c1 ZINC000060061012 554501604 /nfs/dbraw/zinc/50/16/04/554501604.db2.gz YVOXLKYDWLZHCC-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c(Cl)c1Cl ZINC000101652303 554817204 /nfs/dbraw/zinc/81/72/04/554817204.db2.gz VEBFVBUWFFVBCO-UHFFFAOYSA-N -2 3 535.858 5.565 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c(Cl)c1Cl ZINC000101652309 554817223 /nfs/dbraw/zinc/81/72/23/554817223.db2.gz KNUPAQFEVVMJEJ-UHFFFAOYSA-N -2 3 535.858 5.565 40 0 KKABHL COc1ccc(C(=O)[C@@H](CC2=C([O-])C(=C([O-])C(=O)Nc3ccc(Cl)cc3C)C(C)(C)CC2=O)c2ccc(OC)cc2)cc1 ZINC000104194522 571376549 /nfs/dbraw/zinc/37/65/49/571376549.db2.gz UDASKYXLIKUSHD-QXTIUPHPSA-N -2 3 604.099 6.031 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000105447667 571404941 /nfs/dbraw/zinc/40/49/41/571404941.db2.gz UEFDVJUYRFEIPX-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL O=C1[N-][C@H](c2cc(Br)c([O-])c(Br)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000105563150 571407540 /nfs/dbraw/zinc/40/75/40/571407540.db2.gz ZHJYPGGOKPKIHW-CQSZACIVSA-N -2 3 513.236 5.353 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2C)c1 ZINC000105994391 571410049 /nfs/dbraw/zinc/41/00/49/571410049.db2.gz RJCHIILGMKVCOH-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1C ZINC000106068372 571411205 /nfs/dbraw/zinc/41/12/05/571411205.db2.gz PNWHPNYKFKKGQX-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2C)c(C)c1 ZINC000106350807 571412131 /nfs/dbraw/zinc/41/21/31/571412131.db2.gz NKJDHKKBGVNAFC-UHFFFAOYSA-N -2 3 617.671 6.485 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000107852907 571421375 /nfs/dbraw/zinc/42/13/75/571421375.db2.gz QVRQEJVSDWINNT-UHFFFAOYSA-N -2 3 600.516 5.611 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2C)c1C ZINC000108312266 571422998 /nfs/dbraw/zinc/42/29/98/571422998.db2.gz DFDVAIBPKIERKS-UHFFFAOYSA-N -2 3 567.664 5.605 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2C)cc1 ZINC000109221876 571428692 /nfs/dbraw/zinc/42/86/92/571428692.db2.gz DGOWDBUMWZSJAL-UHFFFAOYSA-N -2 3 614.543 5.920 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)ccc1C ZINC000109652443 571429644 /nfs/dbraw/zinc/42/96/44/571429644.db2.gz UHXSRBYKBOTXTB-UHFFFAOYSA-N -2 3 553.637 5.296 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2Cl)c1 ZINC000109924116 571430231 /nfs/dbraw/zinc/43/02/31/571430231.db2.gz ITMLNBJLYLICKO-UHFFFAOYSA-N -2 3 588.082 5.950 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)ccc2C)cc1 ZINC000113619511 571440810 /nfs/dbraw/zinc/44/08/10/571440810.db2.gz FYIRHITUNVPWEF-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1C ZINC000113619858 571441000 /nfs/dbraw/zinc/44/10/00/571441000.db2.gz SHDGZRNWZFJOLZ-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2C)cc1 ZINC000113619862 571441021 /nfs/dbraw/zinc/44/10/21/571441021.db2.gz SVTTUYZMDWRURP-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(Cl)c1 ZINC000216423383 571595948 /nfs/dbraw/zinc/59/59/48/571595948.db2.gz ADVZOGGXRUEQAM-UHFFFAOYSA-N -2 3 548.857 5.071 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)cc2)cc1 ZINC000216464712 571596626 /nfs/dbraw/zinc/59/66/26/571596626.db2.gz NUQMIJCXTGROET-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224882724 571626336 /nfs/dbraw/zinc/62/63/36/571626336.db2.gz FGBIJCQQAVFCPU-PKTZIBPZSA-N -3 3 535.965 5.274 40 0 KKABHL COC(OC)c1c([O-])c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263593701 572127250 /nfs/dbraw/zinc/12/72/50/572127250.db2.gz BOWLQQJFDGRYHV-NDXGOHHTSA-N -2 3 771.857 5.046 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408544006 572214170 /nfs/dbraw/zinc/21/41/70/572214170.db2.gz GOUHBYSHYFTYMU-UHFFFAOYSA-N -2 3 610.928 6.501 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c(C)c1 ZINC000408544086 572214717 /nfs/dbraw/zinc/21/47/17/572214717.db2.gz HCRWOSKFRDOTJK-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2Cl)c(C)c1 ZINC000408544612 572216290 /nfs/dbraw/zinc/21/62/90/572216290.db2.gz IAZGANGGHOVKRN-UHFFFAOYSA-N -2 3 648.988 6.573 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408544727 572216390 /nfs/dbraw/zinc/21/63/90/572216390.db2.gz JAOXEJODIPQGKC-UHFFFAOYSA-N -2 3 610.035 6.213 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)c(C)c1 ZINC000408544995 572217460 /nfs/dbraw/zinc/21/74/60/572217460.db2.gz KZQJWUSLKDYKAB-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2Cl)c1 ZINC000408545396 572219046 /nfs/dbraw/zinc/21/90/46/572219046.db2.gz LENUTQGUUXOKTD-UHFFFAOYSA-N -2 3 672.534 7.483 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)c1 ZINC000408545669 572220203 /nfs/dbraw/zinc/22/02/03/572220203.db2.gz MCQOCOLPJNESDA-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4Cl)cc3)ccc2Cl)c(C)c1 ZINC000408546823 572224144 /nfs/dbraw/zinc/22/41/44/572224144.db2.gz GQAOAAVVKKZORH-UHFFFAOYSA-N -2 3 638.982 7.118 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1 ZINC000408547802 572227327 /nfs/dbraw/zinc/22/73/27/572227327.db2.gz NDKXCFONIDMLMU-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1Cl ZINC000408547956 572227845 /nfs/dbraw/zinc/22/78/45/572227845.db2.gz PAKRNRJDIAMERK-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408548452 572228958 /nfs/dbraw/zinc/22/89/58/572228958.db2.gz RWRAZLQWZQEWPS-UHFFFAOYSA-N -2 3 610.928 6.501 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)C(=O)[O-])n[n-]1 ZINC000408631217 572287121 /nfs/dbraw/zinc/28/71/21/572287121.db2.gz GHZMDWYKUJCITP-YVLHZVERSA-N -2 3 681.721 6.417 40 0 KKABHL CCCc1nc(SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408631550 572287784 /nfs/dbraw/zinc/28/77/84/572287784.db2.gz KFPFGTAKQIWDAM-NVMNQCDNSA-N -2 3 573.296 6.632 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2F)C(=O)[O-])n[n-]1 ZINC000408632441 572288857 /nfs/dbraw/zinc/28/88/57/572288857.db2.gz QATBEAJUUYTVHI-MFOYZWKCSA-N -2 3 665.266 5.902 40 0 KKABHL CCCc1nc(SC(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408632128 572288422 /nfs/dbraw/zinc/28/84/22/572288422.db2.gz NQFXXFREBKXZJQ-HMAPJEAMSA-N -2 3 554.466 6.478 40 0 KKABHL CCc1nc(SC(=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408632781 572289284 /nfs/dbraw/zinc/28/92/84/572289284.db2.gz SKAFNMMQHOTDIX-YVLHZVERSA-N -2 3 524.824 5.588 40 0 KKABHL CCCOc1c2cccc1Cc1cc(C(=O)P(=O)([O-])[O-])cc(c1[O-])Cc1cccc(c1OCCC)Cc1cc(C(=O)P(=O)([O-])[O-])cc(c1[O-])C2 ZINC000409421880 1069813735 /nfs/dbraw/zinc/81/37/35/1069813735.db2.gz GBJJMLCSNHLVQI-UHFFFAOYSA-N -6 3 724.636 5.988 40 0 KKABHL O=c1[n-]c(-c2cc(I)cc(I)c2[O-])nc2sc3c(c21)CCCCC3 ZINC000408992087 1070359791 /nfs/dbraw/zinc/35/97/91/1070359791.db2.gz RZJCSQIEPFNIBF-UHFFFAOYSA-N -2 3 564.186 5.248 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000409025411 1070408916 /nfs/dbraw/zinc/40/89/16/1070408916.db2.gz UNTSEZAUSBOUKW-UHFFFAOYSA-N -2 3 515.838 5.013 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)c1 ZINC000409410740 1070920713 /nfs/dbraw/zinc/92/07/13/1070920713.db2.gz PFONIHPITJXXEX-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408923997 1071084411 /nfs/dbraw/zinc/08/44/11/1071084411.db2.gz IXRSUFHGRFLIHX-UHFFFAOYSA-N -2 3 504.939 5.269 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693045 1071392385 /nfs/dbraw/zinc/39/23/85/1071392385.db2.gz CSJXPHYVAILEMB-UHFFFAOYSA-N -2 3 611.664 5.332 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714996 1071470979 /nfs/dbraw/zinc/47/09/79/1071470979.db2.gz UTFZDEXUFVNWDZ-UHFFFAOYSA-N -2 3 627.732 5.901 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714568 1071475134 /nfs/dbraw/zinc/47/51/34/1071475134.db2.gz FMPVOQGULWTUPP-UHFFFAOYSA-N -2 3 577.725 5.165 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408715058 1071472698 /nfs/dbraw/zinc/47/26/98/1071472698.db2.gz ZKPWWWVBULUDJO-UHFFFAOYSA-N -2 3 608.207 5.988 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714724 1071474468 /nfs/dbraw/zinc/47/44/68/1071474468.db2.gz LKUVJEPZDNHKLM-UHFFFAOYSA-N -2 3 587.789 5.643 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3C)cc2)c1 ZINC000408712186 1071487307 /nfs/dbraw/zinc/48/73/07/1071487307.db2.gz NZURCRILTZSYHI-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712270 1071489524 /nfs/dbraw/zinc/48/95/24/1071489524.db2.gz GCZPSNILHPTWFK-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408711545 1071494616 /nfs/dbraw/zinc/49/46/16/1071494616.db2.gz WBLDJEYWCQLKHV-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409049219 1071966195 /nfs/dbraw/zinc/96/61/95/1071966195.db2.gz VRNDHGDAETWKHJ-UHFFFAOYSA-N -2 3 547.837 5.735 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409364745 1072583180 /nfs/dbraw/zinc/58/31/80/1072583180.db2.gz PCQWHAQKWPVDNW-UHFFFAOYSA-N -2 3 503.784 5.336 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)cc1 ZINC000409410864 1072801674 /nfs/dbraw/zinc/80/16/74/1072801674.db2.gz RHMJOWCUNSBXAI-UHFFFAOYSA-N -2 3 614.145 6.209 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000409409092 1072812768 /nfs/dbraw/zinc/81/27/68/1072812768.db2.gz MYKPLUQFGMDDHI-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL CCOC(=O)c1c(C)[nH]c2c1c1c([O-])c3c([O-])c(C)c4c(c23)C(=O)[C@](C)(O4)OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)C=CC=C(C)C(=O)N1 ZINC001260493779 1072918325 /nfs/dbraw/zinc/91/83/25/1072918325.db2.gz QHJZCLDQJWBCOB-RDFWCUOPSA-N -2 3 806.906 6.015 40 0 KKABHL COc1ccc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc1Oc1ccc(-c2cc(=O)c3c([O-])cc([O-])cc3o2)cc1 ZINC000001585286 551685266 /nfs/dbraw/zinc/68/52/66/551685266.db2.gz PRQWQWSKFNQAOG-UHFFFAOYSA-N -4 3 552.491 5.857 40 0 biogenic,in-vitro KKABHL [O-]c1ccccc1-c1cc(-c2ccccc2)nc(NCCCCCCNc2nc(-c3ccccc3)cc(-c3ccccc3[O-])n2)n1 ZINC000005707291 552507442 /nfs/dbraw/zinc/50/74/42/552507442.db2.gz VSICMAFKEOHVJZ-UHFFFAOYSA-N -2 3 608.746 8.430 40 0 KKABHL O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000009694970 553300040 /nfs/dbraw/zinc/30/00/40/553300040.db2.gz RFTGBWGJVTWMSS-UHFFFAOYSA-N -2 3 504.939 5.102 40 0 KKABHL CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(Cc1ccc([O-])c(Cl)c1)Cc1ccc([O-])c(Cl)c1 ZINC000017654248 553599068 /nfs/dbraw/zinc/59/90/68/553599068.db2.gz XRJQDZXKLCOTGV-DOFZRALJSA-N -2 3 584.628 10.079 40 0 in-vitro KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c(C)c1 ZINC000020036021 553667582 /nfs/dbraw/zinc/66/75/82/553667582.db2.gz GPMSOLZPGNDYFL-UHFFFAOYSA-N -2 3 508.621 5.697 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000100092818 554213143 /nfs/dbraw/zinc/21/31/43/554213143.db2.gz NOFVSNCUVXEQFU-UHFFFAOYSA-N -2 3 548.067 5.255 40 0 KKABHL O=C(c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccc2ccccc2c1 ZINC000100351397 554331118 /nfs/dbraw/zinc/33/11/18/554331118.db2.gz UUUPUHLWKDQKOO-UKILVPOCSA-N -2 3 558.819 5.873 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)cc2)c1 ZINC000059852585 554451791 /nfs/dbraw/zinc/45/17/91/554451791.db2.gz FTHKFUAVMVMCOY-UHFFFAOYSA-N -2 3 602.090 5.211 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059924026 554474777 /nfs/dbraw/zinc/47/47/77/554474777.db2.gz PSPBVLRWLOFJOE-UHFFFAOYSA-N -2 3 583.009 6.753 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)c(OC)c1 ZINC000060028258 554491680 /nfs/dbraw/zinc/49/16/80/554491680.db2.gz SEUIKEYTTQWHCO-UHFFFAOYSA-N -2 3 602.090 5.211 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)cc2)c(OC)c1 ZINC000060028613 554494078 /nfs/dbraw/zinc/49/40/78/554494078.db2.gz MCISMVBXRXGLGG-UHFFFAOYSA-N -2 3 602.090 5.211 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)c2)cc1 ZINC000060060931 554501375 /nfs/dbraw/zinc/50/13/75/554501375.db2.gz VZDPRCZBHPOQMT-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1Cl ZINC000105269199 571392501 /nfs/dbraw/zinc/39/25/01/571392501.db2.gz QWKKUDMQMRPDFL-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2C)c1 ZINC000106093006 571411190 /nfs/dbraw/zinc/41/11/90/571411190.db2.gz QBESGCFVJBNVAO-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000107543327 571420097 /nfs/dbraw/zinc/42/00/97/571420097.db2.gz VTGLGKASRFHWNK-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2C)c(C)c1 ZINC000107691162 571420800 /nfs/dbraw/zinc/42/08/00/571420800.db2.gz JRWZHGDHWVJBBU-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000107748388 571421052 /nfs/dbraw/zinc/42/10/52/571421052.db2.gz XOPYXELIIBPLPS-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000107772383 571421123 /nfs/dbraw/zinc/42/11/23/571421123.db2.gz FKUISXKDVMWYNU-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)cc2)cc1 ZINC000113620691 571441106 /nfs/dbraw/zinc/44/11/06/571441106.db2.gz UOSXBKXOLDHWDP-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2Cl)cc1 ZINC000139666889 571453240 /nfs/dbraw/zinc/45/32/40/571453240.db2.gz XVPUKPLOJJYCSJ-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)cc2Cl)cc1 ZINC000139686990 571453301 /nfs/dbraw/zinc/45/33/01/571453301.db2.gz ATTFWEBDZYQECB-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)cc1 ZINC000139734326 571453793 /nfs/dbraw/zinc/45/37/93/571453793.db2.gz VKWUUUHLXBHCCI-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4Cl)cc3)ccc2Cl)c(C)c1 ZINC000150427166 571491325 /nfs/dbraw/zinc/49/13/25/571491325.db2.gz VZIROUUIJXRUOP-UHFFFAOYSA-N -2 3 638.982 7.118 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2Cl)c1 ZINC000150433676 571494507 /nfs/dbraw/zinc/49/45/07/571494507.db2.gz VLJNPMLWMQXHKE-UHFFFAOYSA-N -2 3 638.089 6.830 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000150586855 571522043 /nfs/dbraw/zinc/52/20/43/571522043.db2.gz MSGUMZUXLJIDIY-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000215925696 571587911 /nfs/dbraw/zinc/58/79/11/571587911.db2.gz OMCLQRQBEWKROG-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)cc2)c(OC)c1 ZINC000215969004 571590073 /nfs/dbraw/zinc/59/00/73/571590073.db2.gz NHODEZZZOSQXPB-UHFFFAOYSA-N -2 3 616.117 5.520 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2Cl)cc1 ZINC000215971814 571590087 /nfs/dbraw/zinc/59/00/87/571590087.db2.gz VXTWZIMOFMPSLR-UHFFFAOYSA-N -2 3 606.125 6.656 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)c(Cl)c2)cc1 ZINC000215981467 571590713 /nfs/dbraw/zinc/59/07/13/571590713.db2.gz SFORFGLOOMTNPI-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224884074 571626478 /nfs/dbraw/zinc/62/64/78/571626478.db2.gz PDYMHPQLZUJZSL-GOTSBHOMSA-N -2 3 526.401 6.229 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408543540 572212847 /nfs/dbraw/zinc/21/28/47/572212847.db2.gz FCTZBFRRWARQBV-UHFFFAOYSA-N -2 3 586.489 5.303 40 0 KKABHL Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(=O)[O-])c3)nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408544196 572214881 /nfs/dbraw/zinc/21/48/81/572214881.db2.gz TUNFQOLJCSGNGG-UHFFFAOYSA-N -2 3 553.438 5.448 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2Cl)cc1C ZINC000408544328 572215185 /nfs/dbraw/zinc/21/51/85/572215185.db2.gz GOWZVDQITGKOAA-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)ccc1C ZINC000408544277 572215274 /nfs/dbraw/zinc/21/52/74/572215274.db2.gz DSCWFTXOJUWELN-UHFFFAOYSA-N -2 3 614.543 5.920 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2Cl)c(C)c1 ZINC000408545700 572220552 /nfs/dbraw/zinc/22/05/52/572220552.db2.gz MQVLABAZEOCXOM-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2C)c1 ZINC000408545824 572221117 /nfs/dbraw/zinc/22/11/17/572221117.db2.gz AJJIEPPCHJMBLC-UHFFFAOYSA-N -2 3 553.637 5.296 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1C ZINC000408546072 572221468 /nfs/dbraw/zinc/22/14/68/572221468.db2.gz QFLKUBJGNBYWEB-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)cc2)c(C)c1 ZINC000408546066 572221623 /nfs/dbraw/zinc/22/16/23/572221623.db2.gz QCBMRVOMMCUSIB-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)c1 ZINC000408546225 572222041 /nfs/dbraw/zinc/22/20/41/572222041.db2.gz RPACLLDZBCXVNW-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2Cl)c1 ZINC000408546559 572223256 /nfs/dbraw/zinc/22/32/56/572223256.db2.gz FHWGGUNQEDPGII-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2C)cc1 ZINC000408546971 572224724 /nfs/dbraw/zinc/22/47/24/572224724.db2.gz HYZSMLQXXYKLGG-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1Cl ZINC000408547416 572225810 /nfs/dbraw/zinc/22/58/10/572225810.db2.gz JIKNEBUFEUTZJT-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408547628 572226326 /nfs/dbraw/zinc/22/63/26/572226326.db2.gz KHXPNLNVNTVMOP-UHFFFAOYSA-N -2 3 557.653 5.694 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)c1 ZINC000408547663 572226340 /nfs/dbraw/zinc/22/63/40/572226340.db2.gz KTTOKWGZCKOUBZ-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2C)c1C ZINC000408547650 572226387 /nfs/dbraw/zinc/22/63/87/572226387.db2.gz KQMQSMOEMYIGEU-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)cc1 ZINC000408548453 572228865 /nfs/dbraw/zinc/22/88/65/572228865.db2.gz RWURNJXIKWFOML-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408549066 572230694 /nfs/dbraw/zinc/23/06/94/572230694.db2.gz WJIMNWHSYMBJDO-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2Cl)c1C ZINC000408549073 572230821 /nfs/dbraw/zinc/23/08/21/572230821.db2.gz WNGBNEUKMMWDIV-UHFFFAOYSA-N -2 3 588.082 5.950 40 0 KKABHL CCc1nc(SC(=Cc2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)C(=O)[O-])n[n-]1 ZINC000408631565 572287743 /nfs/dbraw/zinc/28/77/43/572287743.db2.gz KJKGTCZFQSOJPW-WSVATBPTSA-N -2 3 559.269 6.242 40 0 KKABHL CCc1nc(SC(=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408630494 572286139 /nfs/dbraw/zinc/28/61/39/572286139.db2.gz ALSYEWLLMKGQTH-IUXPMGMMSA-N -2 3 606.269 6.084 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)[O-])n[n-]1 ZINC000408630952 572286861 /nfs/dbraw/zinc/28/68/61/572286861.db2.gz DYCXTEHQKRSMRP-BOPFTXTBSA-N -2 3 647.276 5.763 40 0 KKABHL CCCc1nc(SC(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)[O-])n[n-]1 ZINC000408631548 572287707 /nfs/dbraw/zinc/28/77/07/572287707.db2.gz KFMYRSKROZHKEV-HMAPJEAMSA-N -2 3 524.440 6.470 40 0 KKABHL CCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)C(=O)[O-])n[n-]1 ZINC000408631814 572287975 /nfs/dbraw/zinc/28/79/75/572287975.db2.gz LWRBQFYKAHMHEE-SXGWCWSVSA-N -2 3 667.694 6.027 40 0 KKABHL CCCc1nc(SC(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[O-])n[n-]1 ZINC000408633272 572289963 /nfs/dbraw/zinc/28/99/63/572289963.db2.gz XLCFEGXUBPBBJH-QOMWVZHYSA-N -2 3 506.631 7.100 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000409365815 1070882653 /nfs/dbraw/zinc/88/26/53/1070882653.db2.gz SFAOZLRDHXZRTG-UHFFFAOYSA-N -2 3 639.288 5.686 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000409366512 1070887459 /nfs/dbraw/zinc/88/74/59/1070887459.db2.gz VKEVGDSOROKMQC-UHFFFAOYSA-N -2 3 598.295 6.598 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2Cl)cc1C ZINC000409409471 1070927371 /nfs/dbraw/zinc/92/73/71/1070927371.db2.gz PFZRSGGHZQXGIF-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1OCC ZINC000408695923 1071382204 /nfs/dbraw/zinc/38/22/04/1071382204.db2.gz UZVYXFRSENBDJC-UHFFFAOYSA-N -2 3 544.573 5.104 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408692988 1071393225 /nfs/dbraw/zinc/39/32/25/1071393225.db2.gz AJAQTPWLALSFHL-UHFFFAOYSA-N -2 3 592.139 5.275 40 0 KKABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1OCC ZINC000408694188 1071389803 /nfs/dbraw/zinc/38/98/03/1071389803.db2.gz FBQKCKRSKQZKDX-UHFFFAOYSA-N -2 3 525.048 5.047 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408715014 1071471858 /nfs/dbraw/zinc/47/18/58/1071471858.db2.gz WCXGQXPTFOIHAM-UHFFFAOYSA-N -2 3 580.153 5.290 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714796 1071472681 /nfs/dbraw/zinc/47/26/81/1071472681.db2.gz OQDLKLFSNTXLCT-UHFFFAOYSA-N -2 3 587.789 5.499 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714596 1071476256 /nfs/dbraw/zinc/47/62/56/1071476256.db2.gz IPNMTLHHZKQOGV-UHFFFAOYSA-N -2 3 573.762 5.191 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714582 1071476305 /nfs/dbraw/zinc/47/63/05/1071476305.db2.gz HAIWAIHGRIVCDN-UHFFFAOYSA-N -2 3 587.789 5.499 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714615 1071476988 /nfs/dbraw/zinc/47/69/88/1071476988.db2.gz KSWADJXPJJFLDJ-UHFFFAOYSA-N -2 3 609.795 6.180 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711179 1071500267 /nfs/dbraw/zinc/50/02/67/1071500267.db2.gz DAQVKKYMSHMFGI-UHFFFAOYSA-N -2 3 571.680 6.002 40 0 KKABHL COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)c(Br)c(Br)c1[O-] ZINC000408991580 1071581056 /nfs/dbraw/zinc/58/10/56/1071581056.db2.gz QOSCGKJQTNPSPS-UHFFFAOYSA-N -2 3 514.239 5.962 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 ZINC000409053466 1071940389 /nfs/dbraw/zinc/94/03/89/1071940389.db2.gz CVARHRZPSVOBNI-UHFFFAOYSA-N -2 3 721.131 5.892 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409080559 1072121911 /nfs/dbraw/zinc/12/19/11/1072121911.db2.gz IMAWUGJQCAGRLO-UHFFFAOYSA-N -2 3 533.810 5.345 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)cc1Cl ZINC000409112516 1072388815 /nfs/dbraw/zinc/38/88/15/1072388815.db2.gz GPSRKECXBPLTGW-UHFFFAOYSA-N -2 3 521.867 5.074 40 0 KKABHL Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2cc(Br)c([O-])c(Br)c2)cc1 ZINC000409368716 1072661929 /nfs/dbraw/zinc/66/19/29/1072661929.db2.gz JIOQYUNIXAJTAS-UHFFFAOYSA-N -3 3 610.306 6.906 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409172441 1072734061 /nfs/dbraw/zinc/73/40/61/1072734061.db2.gz IDOKWCQSCHDPMO-UHFFFAOYSA-N -2 3 523.804 5.889 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)cc1 ZINC000409412098 1072789970 /nfs/dbraw/zinc/78/99/70/1072789970.db2.gz RCCPILBOMHRARS-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2Cl)c(C)c1 ZINC000409411196 1072798961 /nfs/dbraw/zinc/79/89/61/1072798961.db2.gz UOPCCMSCDNNFLB-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2Cl)c1C ZINC000409410681 1072802261 /nfs/dbraw/zinc/80/22/61/1072802261.db2.gz OITOUSUXNULERO-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2Cl)c1C ZINC000409407851 1072818673 /nfs/dbraw/zinc/81/86/73/1072818673.db2.gz AJQJQSDHJVQJFF-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000000826737 551544822 /nfs/dbraw/zinc/54/48/22/551544822.db2.gz OYJBHLMVDDQTPM-UHFFFAOYSA-N -2 3 561.468 5.826 40 0 KKABHL CCCc1c(C(=O)OCC)[n-]c(-c2ccc(-c3[n-]c(C(=O)OCC)c(CCC)c3C(=O)OCC)s2)c1C(=O)OCC ZINC000005844590 552510900 /nfs/dbraw/zinc/51/09/00/552510900.db2.gz YLZKRVZVFKPNNF-UHFFFAOYSA-N -2 3 586.707 6.350 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000020111668 553694029 /nfs/dbraw/zinc/69/40/29/553694029.db2.gz VIVJXYSIWKPVLF-UHFFFAOYSA-N -2 3 508.621 5.697 40 0 KKABHL O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000100092157 554212607 /nfs/dbraw/zinc/21/26/07/554212607.db2.gz CNQLMCWKHKNLSP-UHFFFAOYSA-N -2 3 540.277 6.043 40 0 KKABHL CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000038491915 554274895 /nfs/dbraw/zinc/27/48/95/554274895.db2.gz FJAQNRBDVKIIKK-WIFIACMTSA-N -2 3 697.137 5.370 40 0 KKABHL CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000038491913 554274924 /nfs/dbraw/zinc/27/49/24/554274924.db2.gz FJAQNRBDVKIIKK-XRPXSZETSA-N -2 3 697.137 5.370 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)cc1 ZINC000059923764 554474070 /nfs/dbraw/zinc/47/40/70/554474070.db2.gz AAHAJGADFPKWDJ-UHFFFAOYSA-N -2 3 586.091 5.593 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1 ZINC000060028164 554490798 /nfs/dbraw/zinc/49/07/98/554490798.db2.gz WPLPYQWDCRDUNZ-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000060060153 554498470 /nfs/dbraw/zinc/49/84/70/554498470.db2.gz RJUATZZWGYHPQW-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)c(Cl)c2)cc1 ZINC000060060655 554500119 /nfs/dbraw/zinc/50/01/19/554500119.db2.gz INBWCBZAFPZNJI-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000105461395 571404963 /nfs/dbraw/zinc/40/49/63/571404963.db2.gz VLLLHJDVFQYWCS-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2Cl)cc1 ZINC000108091746 571422331 /nfs/dbraw/zinc/42/23/31/571422331.db2.gz FJICJUPCRIMROX-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2C)cc1C ZINC000108341157 571423458 /nfs/dbraw/zinc/42/34/58/571423458.db2.gz GTNVXNRXYFQUGZ-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)c1 ZINC000108925146 571427625 /nfs/dbraw/zinc/42/76/25/571427625.db2.gz IIWRJYAXMCIFKM-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000108924811 571427628 /nfs/dbraw/zinc/42/76/28/571427628.db2.gz ZYOKYJBYBNMJPK-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000109747986 571430005 /nfs/dbraw/zinc/43/00/05/571430005.db2.gz SFXOECOXWGUUDH-UHFFFAOYSA-N -2 3 593.727 5.783 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)cc1 ZINC000109840391 571430067 /nfs/dbraw/zinc/43/00/67/571430067.db2.gz ZWCXLNIDYINACI-UHFFFAOYSA-N -2 3 586.091 5.511 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3C)cc2)cc1 ZINC000113619490 571440850 /nfs/dbraw/zinc/44/08/50/571440850.db2.gz HRSFYUPQTJBEOJ-UHFFFAOYSA-N -2 3 579.700 5.556 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)c2C)cc1 ZINC000113619330 571440870 /nfs/dbraw/zinc/44/08/70/571440870.db2.gz RCPIRCHVQYADOI-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2C)cc1 ZINC000113620199 571441005 /nfs/dbraw/zinc/44/10/05/571441005.db2.gz PHHPNGRCJVNROZ-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1 ZINC000113621157 571441151 /nfs/dbraw/zinc/44/11/51/571441151.db2.gz NPWPBLODBPBGST-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2Cl)c1 ZINC000150436515 571496203 /nfs/dbraw/zinc/49/62/03/571496203.db2.gz IOHFGXAYSDKDFC-UHFFFAOYSA-N -2 3 634.961 6.265 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000198279196 571566732 /nfs/dbraw/zinc/56/67/32/571566732.db2.gz SOZRJPMDEDZQJJ-UHFFFAOYSA-N -2 3 644.480 6.866 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)c(C)c1 ZINC000215964342 571589533 /nfs/dbraw/zinc/58/95/33/571589533.db2.gz NSEKASADNSWPGA-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216280716 571594085 /nfs/dbraw/zinc/59/40/85/571594085.db2.gz GBCXWAMVRCXWHE-UHFFFAOYSA-N -2 3 620.934 5.956 40 0 KKABHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224882764 571626323 /nfs/dbraw/zinc/62/63/23/571626323.db2.gz FGBIJCQQAVFCPU-XZOQPEGZSA-N -3 3 535.965 5.274 40 0 KKABHL Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224883622 571626444 /nfs/dbraw/zinc/62/64/44/571626444.db2.gz VGALNHUNEKJFGX-RPWUZVMVSA-N -2 3 505.983 5.884 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)ccc1Cl ZINC000408543885 572213811 /nfs/dbraw/zinc/21/38/11/572213811.db2.gz FUYAOQBYHLYLLI-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2Cl)c1 ZINC000408544045 572214201 /nfs/dbraw/zinc/21/42/01/572214201.db2.gz GRZIBSCYWJIJHH-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000408544607 572216372 /nfs/dbraw/zinc/21/63/72/572216372.db2.gz VVQBIBQHMWSIDP-UHFFFAOYSA-N -2 3 531.819 5.492 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)c1 ZINC000408544953 572216780 /nfs/dbraw/zinc/21/67/80/572216780.db2.gz JTMBRMFSRUTTLS-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000408545683 572220231 /nfs/dbraw/zinc/22/02/31/572220231.db2.gz MHRCEVIFBTUOFX-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)ccc2Cl)c1 ZINC000408545790 572220622 /nfs/dbraw/zinc/22/06/22/572220622.db2.gz OHRSEYMNOGRSFS-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2Cl)cc1 ZINC000408545937 572221581 /nfs/dbraw/zinc/22/15/81/572221581.db2.gz CBJAESBEMRRJRL-UHFFFAOYSA-N -2 3 658.507 7.175 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2Cl)c1 ZINC000408546807 572224172 /nfs/dbraw/zinc/22/41/72/572224172.db2.gz WEPDDHMJXUBJFU-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)ccc2Cl)cc1 ZINC000408547759 572226802 /nfs/dbraw/zinc/22/68/02/572226802.db2.gz MJIOOOGWVVNIEF-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000408548174 572228411 /nfs/dbraw/zinc/22/84/11/572228411.db2.gz QDUXVLHKVRFGFR-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2Cl)c1 ZINC000408548409 572229003 /nfs/dbraw/zinc/22/90/03/572229003.db2.gz QZIDZMMQTKRZOZ-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2C)c1 ZINC000408548731 572229854 /nfs/dbraw/zinc/22/98/54/572229854.db2.gz UDCSGXLNJORSIR-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL CCCc1nc(SC(=Cc2ccc(-c3cc(Br)ccc3Br)o2)C(=O)[O-])n[n-]1 ZINC000408631876 572288134 /nfs/dbraw/zinc/28/81/34/572288134.db2.gz MSPKQCLOKRXBSD-OQLLNIDSSA-N -2 3 513.211 5.760 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408633518 572290254 /nfs/dbraw/zinc/29/02/54/572290254.db2.gz ZDZBWJUBXSKYGG-PDGQHHTCSA-N -2 3 551.406 5.167 40 0 KKABHL CCCc1nc(SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)[O-])n[n-]1 ZINC000408633480 572290270 /nfs/dbraw/zinc/29/02/70/572290270.db2.gz YWWNZHBDAWQSAF-WQRHYEAKSA-N -3 3 518.389 5.015 40 0 KKABHL CCn1c(S/C(=C\c2cc(Br)c([O-])c(OC)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408635169 572292291 /nfs/dbraw/zinc/29/22/91/572292291.db2.gz XMVJCSGPBUYGOX-YBEGLDIGSA-N -2 3 510.797 5.313 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3Cl)c2)o1)c1c(C)[n-][nH]c1=O ZINC000108423479 1069722072 /nfs/dbraw/zinc/72/20/72/1069722072.db2.gz QJPHKNCYNZPRNP-UHFFFAOYSA-N -2 3 553.402 6.265 40 0 KKABHL CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(Br)c(Br)c1[O-] ZINC000409255803 1070674670 /nfs/dbraw/zinc/67/46/70/1070674670.db2.gz IXAHXBZAARUMQD-UHFFFAOYSA-N -2 3 500.212 5.572 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ccc1Cl ZINC000409411621 1070921608 /nfs/dbraw/zinc/92/16/08/1070921608.db2.gz YBCFUZNVOGDUOC-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(C)C ZINC000408695718 1071383078 /nfs/dbraw/zinc/38/30/78/1071383078.db2.gz UGCAVXOUPCLQEI-UHFFFAOYSA-N -2 3 563.019 6.092 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C(C)C ZINC000408694101 1071389203 /nfs/dbraw/zinc/38/92/03/1071389203.db2.gz BJEWKOPRVUKLSU-UHFFFAOYSA-N -2 3 509.049 5.382 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714798 1071472746 /nfs/dbraw/zinc/47/27/46/1071472746.db2.gz OQRIKVVZXHHIMS-UHFFFAOYSA-N -2 3 573.762 5.335 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714595 1071476179 /nfs/dbraw/zinc/47/61/79/1071476179.db2.gz IMSUBEAMWLZWOG-UHFFFAOYSA-N -2 3 600.571 5.553 40 0 KKABHL Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408712286 1071489392 /nfs/dbraw/zinc/48/93/92/1071489392.db2.gz HMFBYQBBEFGPOO-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000409111380 1072393035 /nfs/dbraw/zinc/39/30/35/1072393035.db2.gz AGSFCGWMPFYJIV-UHFFFAOYSA-N -2 3 534.965 5.359 40 0 KKABHL O=S(=O)([N-]c1ccc(Br)cc1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000409382320 1072707466 /nfs/dbraw/zinc/70/74/66/1072707466.db2.gz RSJJSNHSRRNOMV-UHFFFAOYSA-N -2 3 517.426 5.204 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)cc1 ZINC000409412405 1072787564 /nfs/dbraw/zinc/78/75/64/1072787564.db2.gz WDYWODRTGPBUTM-UHFFFAOYSA-N -2 3 614.145 6.209 40 0 KKABHL CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc(I)c1OCC(=O)[O-] ZINC000409182178 1072791892 /nfs/dbraw/zinc/79/18/92/1072791892.db2.gz IRZSBVYSPDDDNI-UHFFFAOYSA-N -2 3 554.406 5.190 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1 ZINC000409411875 1072792662 /nfs/dbraw/zinc/79/26/62/1072792662.db2.gz MQMYIMWNFDRPBB-UHFFFAOYSA-N -2 3 614.145 6.209 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2Cl)c1 ZINC000409411211 1072796695 /nfs/dbraw/zinc/79/66/95/1072796695.db2.gz UUYLFGALVRISEW-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2Cl)c(C)c1 ZINC000409411319 1072797829 /nfs/dbraw/zinc/79/78/29/1072797829.db2.gz FWSRMEURAPAZFX-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)ccc2Cl)cc1 ZINC000409411160 1072799144 /nfs/dbraw/zinc/79/91/44/1072799144.db2.gz DTHDQPYTWQELHK-UHFFFAOYSA-N -2 3 634.961 6.265 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409410204 1072805980 /nfs/dbraw/zinc/80/59/80/1072805980.db2.gz LGRUUFHTFQNCKR-UHFFFAOYSA-N -2 3 571.680 6.002 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2Cl)c(C)c1 ZINC000409409611 1072809430 /nfs/dbraw/zinc/80/94/30/1072809430.db2.gz IUSQPQMNGXWOKN-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3c2c1 ZINC000409224190 1072984448 /nfs/dbraw/zinc/98/44/48/1072984448.db2.gz JUNZHQSBQVZCOW-UHFFFAOYSA-N -2 3 575.495 7.111 40 0 KKABHL Cc1c([N-]S(=O)(=O)c2ccccc2)c(C)c([N-]S(=O)(=O)c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000001651983 551688004 /nfs/dbraw/zinc/68/80/04/551688004.db2.gz MAHQIWIXOJICLJ-UHFFFAOYSA-N -3 3 585.729 5.014 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)[N-]c5cc(C)ccc5C)cc4c3c2)c1 ZINC000005941765 552514046 /nfs/dbraw/zinc/51/40/46/552514046.db2.gz GFMBSDMDVAMFDH-UHFFFAOYSA-N -2 3 534.659 6.421 40 0 KKABHL O=C(c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccc2ccccc2c1 ZINC000100351395 554331036 /nfs/dbraw/zinc/33/10/36/554331036.db2.gz UUUPUHLWKDQKOO-NOZRDPDXSA-N -2 3 558.819 5.873 40 0 KKABHL COc1ccc(C(=O)[C@@H](CC2=C([O-])C(=C([O-])C(=O)Nc3ccc(Cl)cc3C)C(C)(C)CC2=O)c2ccc(OC)cc2)cc1 ZINC000100742112 554463507 /nfs/dbraw/zinc/46/35/07/554463507.db2.gz UDASKYXLIKUSHD-ZEZDXWPOSA-N -2 3 604.099 6.031 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)c(Cl)c2)cc1 ZINC000059923824 554474026 /nfs/dbraw/zinc/47/40/26/554474026.db2.gz HTKIUKJQSYOOIV-UHFFFAOYSA-N -2 3 606.125 6.656 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)c(Cl)c2)cc1 ZINC000059924669 554475838 /nfs/dbraw/zinc/47/58/38/554475838.db2.gz FOOPGAHLWDOZQM-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1C ZINC000060059968 554498205 /nfs/dbraw/zinc/49/82/05/554498205.db2.gz NDXYHCHGTMFDNY-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)cc2Cl)cc1 ZINC000060060837 554501116 /nfs/dbraw/zinc/50/11/16/554501116.db2.gz AYVQSXHMYLXUEB-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc(Br)c1[O-] ZINC000101620439 554809155 /nfs/dbraw/zinc/80/91/55/554809155.db2.gz IIXABSQWENSRHU-RUZDIDTESA-N -3 3 561.436 5.331 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c1 ZINC000105887127 571409201 /nfs/dbraw/zinc/40/92/01/571409201.db2.gz BUVILXKCCKRYJJ-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2C)cc1 ZINC000106522375 571412765 /nfs/dbraw/zinc/41/27/65/571412765.db2.gz IBEPQERBFUHLRI-UHFFFAOYSA-N -2 3 553.637 5.296 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2C)cc1C ZINC000108243033 571422908 /nfs/dbraw/zinc/42/29/08/571422908.db2.gz SCIPFFRWHFNZAV-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)cc1 ZINC000108989167 571427986 /nfs/dbraw/zinc/42/79/86/571427986.db2.gz JUBFDHUHZJGEKX-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1 ZINC000109060162 571428254 /nfs/dbraw/zinc/42/82/54/571428254.db2.gz KMXQHHVHCOPXHV-UHFFFAOYSA-N -2 3 579.700 5.556 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2C)c1 ZINC000109185580 571428772 /nfs/dbraw/zinc/42/87/72/571428772.db2.gz NKFPTCWBVHOGQE-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2Cl)c(C)c1 ZINC000109645779 571429677 /nfs/dbraw/zinc/42/96/77/571429677.db2.gz YSHJEKBVNBDREP-UHFFFAOYSA-N -2 3 588.082 5.950 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)cc1 ZINC000110282712 571431026 /nfs/dbraw/zinc/43/10/26/571431026.db2.gz MTEVFJYEZUFDKZ-UHFFFAOYSA-N -2 3 600.118 5.819 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2)c1 ZINC000110369465 571431162 /nfs/dbraw/zinc/43/11/62/571431162.db2.gz ZWHUOPANKYJXKX-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)ccc2Cl)c1 ZINC000110385507 571431257 /nfs/dbraw/zinc/43/12/57/571431257.db2.gz MHYZVUJMQMSEFE-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000112256786 571437513 /nfs/dbraw/zinc/43/75/13/571437513.db2.gz XIJGBMDFSLGJKB-UHFFFAOYSA-N -2 3 592.139 5.131 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000112256393 571437587 /nfs/dbraw/zinc/43/75/87/571437587.db2.gz KKIUXCBSKCWUES-UHFFFAOYSA-N -2 3 592.139 5.131 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)c2)cc1 ZINC000113620516 571441030 /nfs/dbraw/zinc/44/10/30/571441030.db2.gz BIRGHHRXWPNVIP-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000140138571 571455276 /nfs/dbraw/zinc/45/52/76/571455276.db2.gz GWEAXYVWAXHZFW-UHFFFAOYSA-N -2 3 610.928 6.501 40 0 KKABHL CCOC(=O)c1c2c(sc1[N-]c1nc3ccccc3nc1[N-]S(=O)(=O)c1cc(Br)ccc1OCC)CCCC2 ZINC000150492201 571517174 /nfs/dbraw/zinc/51/71/74/571517174.db2.gz BLCUWGMCTVDQFE-UHFFFAOYSA-N -2 3 631.574 6.452 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)cc2)cc1 ZINC000215902740 571587022 /nfs/dbraw/zinc/58/70/22/571587022.db2.gz JMPTXMCOBYXJJV-UHFFFAOYSA-N -2 3 600.118 5.901 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215926299 571588027 /nfs/dbraw/zinc/58/80/27/571588027.db2.gz ILIVBRQYTHYTMD-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1N1CCCC1=O ZINC000215992736 571591052 /nfs/dbraw/zinc/59/10/52/571591052.db2.gz BGSXUTHFBVTRKV-UHFFFAOYSA-N -2 3 604.028 5.096 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)c2)cc1 ZINC000216347288 571595007 /nfs/dbraw/zinc/59/50/07/571595007.db2.gz DJHKOBXBZSMAHO-UHFFFAOYSA-N -2 3 634.961 6.265 40 0 KKABHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000216355353 571595236 /nfs/dbraw/zinc/59/52/36/571595236.db2.gz FZDCTPHNQIOALC-UHFFFAOYSA-N -2 3 515.012 5.734 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)c1 ZINC000408544112 572214683 /nfs/dbraw/zinc/21/46/83/572214683.db2.gz HIDQJZRRZSOQFK-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c1 ZINC000408544608 572216162 /nfs/dbraw/zinc/21/61/62/572216162.db2.gz HZYKOAVPSZKISS-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408545872 572221014 /nfs/dbraw/zinc/22/10/14/572221014.db2.gz PBZOJYKGQMGFJI-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2Cl)c1 ZINC000408545808 572221262 /nfs/dbraw/zinc/22/12/62/572221262.db2.gz ONIDZLPTDQWGIF-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)c1C ZINC000408546895 572224526 /nfs/dbraw/zinc/22/45/26/572224526.db2.gz WTEWHNFECJHWDQ-UHFFFAOYSA-N -2 3 599.734 6.619 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1C ZINC000408547710 572226685 /nfs/dbraw/zinc/22/66/85/572226685.db2.gz LRYOBXXIOHXKTF-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408547769 572226898 /nfs/dbraw/zinc/22/68/98/572226898.db2.gz MOPUGGHNILMDEN-UHFFFAOYSA-N -2 3 575.590 5.559 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)cc1 ZINC000408547789 572227258 /nfs/dbraw/zinc/22/72/58/572227258.db2.gz MZOXXQDTNVIYQL-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2C)c(C)c1 ZINC000408549098 572230804 /nfs/dbraw/zinc/23/08/04/572230804.db2.gz WWHINHUHUIXRLE-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2C)c1 ZINC000408549099 572230955 /nfs/dbraw/zinc/23/09/55/572230955.db2.gz WXFYDAVZVKSOOC-UHFFFAOYSA-N -2 3 617.671 6.485 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2Cl)c1C ZINC000408549303 572231550 /nfs/dbraw/zinc/23/15/50/572231550.db2.gz XCOZVCZTVAMIBA-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL CCOc1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc(I)c1[O-] ZINC000408631553 572287768 /nfs/dbraw/zinc/28/77/68/572287768.db2.gz FNINEJMWKVVINL-PXNMLYILSA-N -2 3 574.780 5.325 40 0 KKABHL CCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)[O-])n[n-]1 ZINC000408632252 572288547 /nfs/dbraw/zinc/28/85/47/572288547.db2.gz PJAUZGVDLDEOLC-YBEGLDIGSA-N -2 3 633.249 5.373 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2)C(=O)[O-])n[n-]1 ZINC000408632261 572288603 /nfs/dbraw/zinc/28/86/03/572288603.db2.gz PKRVKUWDLDPXJE-YVLHZVERSA-N -2 3 647.276 5.763 40 0 KKABHL CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)[O-])n[n-]1 ZINC000408632452 572288813 /nfs/dbraw/zinc/28/88/13/572288813.db2.gz QDZHJIBJLNQRMD-NVMNQCDNSA-N -2 3 543.270 6.623 40 0 KKABHL CCCc1nc(SC(=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)C(=O)[O-])n[n-]1 ZINC000408632833 572289389 /nfs/dbraw/zinc/28/93/89/572289389.db2.gz UAHKENJGMZYGNX-OOAXWGSJSA-N -2 3 520.658 7.408 40 0 KKABHL CCc1nc(SC(=Cc2cc(I)cc(I)c2OCc2ccccc2)C(=O)[O-])n[n-]1 ZINC000408633523 572290225 /nfs/dbraw/zinc/29/02/25/572290225.db2.gz ZHARCFUVRHWLNF-SXGWCWSVSA-N -2 3 633.249 5.373 40 0 KKABHL CCN(CC)C(=O)COc1cc2c([O-])c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)C=CC=C(C)C(=O)N2 ZINC000253740539 572301985 /nfs/dbraw/zinc/30/19/85/572301985.db2.gz VFYNXKZVOUXHDX-ITFHRVOPSA-N -2 3 810.938 5.296 40 0 KKABHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(C5SCCS5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000254112517 572302087 /nfs/dbraw/zinc/30/20/87/572302087.db2.gz GCEUDIONNAAMRI-BSCKANFHSA-N -2 3 801.977 6.233 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409175292 1069794936 /nfs/dbraw/zinc/79/49/36/1069794936.db2.gz ZSUFNCITQZGKFR-UHFFFAOYSA-N -2 3 505.832 5.557 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 ZINC000408925104 1070236595 /nfs/dbraw/zinc/23/65/95/1070236595.db2.gz MBYBHAHKXIWPGO-UHFFFAOYSA-N -2 3 525.357 5.614 40 0 KKABHL O=S(=O)([N-]c1nccs1)c1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)[N-]c5ccc(S(=O)(=O)[N-]c6nccs6)cc5)cc4c3c2)cc1 ZINC000409226399 1070643928 /nfs/dbraw/zinc/64/39/28/1070643928.db2.gz VUKCEIXHKXZMKI-UHFFFAOYSA-N -4 3 802.941 5.702 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2)c(C)c1 ZINC000409406308 1070924716 /nfs/dbraw/zinc/92/47/16/1070924716.db2.gz BLRGCFWVHKDZSU-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C(C)C ZINC000408694604 1071387624 /nfs/dbraw/zinc/38/76/24/1071387624.db2.gz KOIYITSEFZZEQD-UHFFFAOYSA-N -2 3 510.637 5.573 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408693386 1071391782 /nfs/dbraw/zinc/39/17/82/1071391782.db2.gz RMRPIBFKJKQXMM-UHFFFAOYSA-N -2 3 618.055 5.205 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408703149 1071445144 /nfs/dbraw/zinc/44/51/44/1071445144.db2.gz NVLBSKIZNADCLU-UHFFFAOYSA-N -2 3 593.727 5.322 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715049 1071472573 /nfs/dbraw/zinc/47/25/73/1071472573.db2.gz YYMXYDISSNYWNF-UHFFFAOYSA-N -2 3 573.762 5.191 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714781 1071472721 /nfs/dbraw/zinc/47/27/21/1071472721.db2.gz OCJPDUWLDIQQSH-UHFFFAOYSA-N -2 3 594.180 5.536 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714879 1071473443 /nfs/dbraw/zinc/47/34/43/1071473443.db2.gz RHWMJHJTPOUCAG-UHFFFAOYSA-N -2 3 634.123 5.918 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714853 1071473602 /nfs/dbraw/zinc/47/36/02/1071473602.db2.gz QSBMNFNZCUPBBO-UHFFFAOYSA-N -2 3 662.177 6.699 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714740 1071474505 /nfs/dbraw/zinc/47/45/05/1071474505.db2.gz MQIFQVMQFSFWIT-UHFFFAOYSA-N -2 3 609.795 6.035 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)cc4)c3)cc2)c1 ZINC000408712272 1071489323 /nfs/dbraw/zinc/48/93/23/1071489323.db2.gz GJBFZYWMJZAZDQ-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)c(C)c3)cc2)c(OC)c1 ZINC000408711173 1071500314 /nfs/dbraw/zinc/50/03/14/1071500314.db2.gz CBJVCJPTCDMGNK-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2cc(I)c([O-])c(I)c2)cc1 ZINC000409372291 1072646016 /nfs/dbraw/zinc/64/60/16/1072646016.db2.gz MKWDUSXPWDARGV-UHFFFAOYSA-N -3 3 704.306 6.590 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000409407766 1072819659 /nfs/dbraw/zinc/81/96/59/1072819659.db2.gz HLKHWSAJIKAIRS-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL O=C1c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc21 ZINC000005344961 1073201697 /nfs/dbraw/zinc/20/16/97/1073201697.db2.gz TWJNEZMDFAPOFY-UHFFFAOYSA-N -2 3 626.556 6.537 40 0 KKABHL O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2oc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3c2c1 ZINC000005942015 552514457 /nfs/dbraw/zinc/51/44/57/552514457.db2.gz QGFJKRCHMGWDPB-UHFFFAOYSA-N -2 3 614.545 7.225 40 0 KKABHL COc1ccc(/C=C/C(c2cc(Cl)c3cccnc3c2[O-])c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000015016929 553526298 /nfs/dbraw/zinc/52/62/98/553526298.db2.gz IYDFRESBWCWNRE-DHZHZOJOSA-N -2 3 503.385 7.355 40 0 KKABHL O=S(=O)([N-]c1ccc(Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1 ZINC000100042446 554192730 /nfs/dbraw/zinc/19/27/30/554192730.db2.gz MUVRTFZVMOQKHL-UHFFFAOYSA-N -2 3 547.485 6.186 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)c(Cl)c2)cc1 ZINC000059922824 554472635 /nfs/dbraw/zinc/47/26/35/554472635.db2.gz NJSXFFHHGYFIDW-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000059924597 554475524 /nfs/dbraw/zinc/47/55/24/554475524.db2.gz LAXXUSGXDPIFEB-UHFFFAOYSA-N -2 3 610.928 6.501 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000059924609 554475847 /nfs/dbraw/zinc/47/58/47/554475847.db2.gz TVWFIVOWHFNFLJ-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000060018423 554489700 /nfs/dbraw/zinc/48/97/00/554489700.db2.gz HHSNSGNYCULRRL-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1Cl ZINC000060028714 554494806 /nfs/dbraw/zinc/49/48/06/554494806.db2.gz PRMSZSIXSGFKIH-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)cc2Cl)cc1 ZINC000060061098 554501893 /nfs/dbraw/zinc/50/18/93/554501893.db2.gz PQZVPENFSZKPOB-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2oc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3c2c1 ZINC000103604532 555454568 /nfs/dbraw/zinc/45/45/68/555454568.db2.gz YRZSSWCTRPXIKA-UHFFFAOYSA-N -2 3 547.441 6.494 40 0 KKABHL C/C(=C\CC/C(C)=C/C[C@]1(O)C(=O)c2c([O-])cc(C)c3c([O-])c(C)c(O)c(c32)C1=O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000072320142 571360909 /nfs/dbraw/zinc/36/09/09/571360909.db2.gz KSZSKZKYKHSXLE-GNXDPCFTSA-N -2 3 594.745 6.385 40 0 biogenic,in-vitro KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2C)c1 ZINC000107724944 571420948 /nfs/dbraw/zinc/42/09/48/571420948.db2.gz JQJHYOQPVPKIMC-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)cc2)cc1 ZINC000107737535 571421010 /nfs/dbraw/zinc/42/10/10/571421010.db2.gz JFPWEEBCBMQFDU-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000107997156 571421942 /nfs/dbraw/zinc/42/19/42/571421942.db2.gz QWKVESBOHCIHQJ-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c1 ZINC000109855067 571430216 /nfs/dbraw/zinc/43/02/16/571430216.db2.gz VHHRXLXUEVQKJK-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000113619848 571440957 /nfs/dbraw/zinc/44/09/57/571440957.db2.gz YRJLQHHBZROBPF-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000113619842 571440960 /nfs/dbraw/zinc/44/09/60/571440960.db2.gz FTSNBXRGEKZBBE-UHFFFAOYSA-N -2 3 586.489 5.303 40 0 KKABHL O=C1[C@H]2[C@H](C(=O)N1c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C1C=CC2[C@@H]2C(=O)N(c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)C(=O)[C@H]21 ZINC000150451078 571502665 /nfs/dbraw/zinc/50/26/65/571502665.db2.gz UWODHPLZLZIJFE-YJOSPCTQSA-N -2 3 777.664 5.322 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cc(Br)cc(I)c1[O-] ZINC000150523016 571520177 /nfs/dbraw/zinc/52/01/77/571520177.db2.gz ZBIXWJZWCVHCLL-DEOSSOPVSA-N -3 3 657.306 5.927 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)cc2Cl)cc1 ZINC000197860827 571565894 /nfs/dbraw/zinc/56/58/94/571565894.db2.gz QHDLACRDBREXAD-UHFFFAOYSA-N -2 3 658.507 7.175 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)cc2Cl)cc1 ZINC000197984674 571566402 /nfs/dbraw/zinc/56/64/02/571566402.db2.gz UJAAVPIBTSBPIL-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000215941410 571588774 /nfs/dbraw/zinc/58/87/74/571588774.db2.gz CXLSDMFBCUHHPB-UHFFFAOYSA-N -2 3 529.039 6.042 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)cc1 ZINC000215954105 571589209 /nfs/dbraw/zinc/58/92/09/571589209.db2.gz VJLMBVXYVMDADI-UHFFFAOYSA-N -2 3 572.064 5.203 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216365502 571595228 /nfs/dbraw/zinc/59/52/28/571595228.db2.gz IHLZZSIDSMNTFT-UHFFFAOYSA-N -2 3 610.035 6.213 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)cc1Cl ZINC000216468196 571596649 /nfs/dbraw/zinc/59/66/49/571596649.db2.gz SHEOAECZNCBOIE-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2)cc1 ZINC000408543916 572214269 /nfs/dbraw/zinc/21/42/69/572214269.db2.gz GAFFWQHDMFFXBJ-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2C)c1 ZINC000408546044 572221407 /nfs/dbraw/zinc/22/14/07/572221407.db2.gz PQRFCFUZFPKRMK-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)c(C)c1 ZINC000408546816 572224106 /nfs/dbraw/zinc/22/41/06/572224106.db2.gz WGFMQNUBORTAOO-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4Cl)cc3)ccc2Cl)cc1C ZINC000408546793 572224179 /nfs/dbraw/zinc/22/41/79/572224179.db2.gz VXHYYRXDMLXVKA-UHFFFAOYSA-N -2 3 638.982 7.118 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)c(C)c1 ZINC000408547329 572225220 /nfs/dbraw/zinc/22/52/20/572225220.db2.gz YXRLVNXMGIOZAY-UHFFFAOYSA-N -2 3 652.116 7.138 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2Cl)c(C)c1 ZINC000408547316 572225311 /nfs/dbraw/zinc/22/53/11/572225311.db2.gz IIHCLJIRWSJIJE-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2Cl)cc1C ZINC000408547381 572225838 /nfs/dbraw/zinc/22/58/38/572225838.db2.gz IZJVQWLNHKNBLD-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)ccc2C)cc1 ZINC000408547887 572227332 /nfs/dbraw/zinc/22/73/32/572227332.db2.gz OHEOINSNTKSTPU-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL CCn1c(S/C(=C\c2cc(I)c([O-])c(OC)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408632918 572289442 /nfs/dbraw/zinc/28/94/42/572289442.db2.gz HNBVFCBUPNXHBB-YBEGLDIGSA-N -2 3 557.797 5.155 40 0 KKABHL CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)[O-])n[n-]1 ZINC000408633482 572290174 /nfs/dbraw/zinc/29/01/74/572290174.db2.gz YXCRSWHHHMOSMY-WQRHYEAKSA-N -2 3 508.825 5.970 40 0 KKABHL CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc(I)c1[O-] ZINC000408634820 572291792 /nfs/dbraw/zinc/29/17/92/572291792.db2.gz VCVSKYNNPDUKKT-BOPFTXTBSA-N -2 3 571.824 5.545 40 0 KKABHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(C5SCCS5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000254112530 572302113 /nfs/dbraw/zinc/30/21/13/572302113.db2.gz GCEUDIONNAAMRI-ORNIIARLSA-N -2 3 801.977 6.233 40 0 KKABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000408926529 1071071967 /nfs/dbraw/zinc/07/19/67/1071071967.db2.gz UKVCPJRCQBKJQY-UHFFFAOYSA-N -2 3 508.902 5.100 40 0 KKABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OCC ZINC000408681752 1071373493 /nfs/dbraw/zinc/37/34/93/1071373493.db2.gz SAKBLCZWXNYAPO-UHFFFAOYSA-N -2 3 545.466 5.392 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C(=O)N1CCCCC1 ZINC000408693537 1071391156 /nfs/dbraw/zinc/39/11/56/1071391156.db2.gz YZPBEJQLIHOWHT-UHFFFAOYSA-N -2 3 579.700 5.076 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693410 1071391567 /nfs/dbraw/zinc/39/15/67/1071391567.db2.gz SJQCTOKBXBPQRT-UHFFFAOYSA-N -2 3 592.139 5.275 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714751 1071474213 /nfs/dbraw/zinc/47/42/13/1071474213.db2.gz NHRRURCTHQPQAE-UHFFFAOYSA-N -2 3 573.762 5.253 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714558 1071475454 /nfs/dbraw/zinc/47/54/54/1071475454.db2.gz DPHBFJPVZQYIPK-UHFFFAOYSA-N -2 3 608.207 5.988 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714586 1071476162 /nfs/dbraw/zinc/47/61/62/1071476162.db2.gz HMBGDRILBUWQLC-UHFFFAOYSA-N -2 3 594.180 5.680 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2C)cc1 ZINC000408712523 1071481798 /nfs/dbraw/zinc/48/17/98/1071481798.db2.gz CCBYUBQYXXAVEB-UHFFFAOYSA-N -2 3 585.707 6.311 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)c1 ZINC000408712323 1071484282 /nfs/dbraw/zinc/48/42/82/1071484282.db2.gz MHPOPOZVDIMQMR-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000408711271 1071503366 /nfs/dbraw/zinc/50/33/66/1071503366.db2.gz BUBVIWFUTRIMEL-UHFFFAOYSA-N -2 3 565.673 5.166 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409050150 1071958447 /nfs/dbraw/zinc/95/84/47/1071958447.db2.gz ZMLLLBVVMLUKRX-UHFFFAOYSA-N -2 3 582.282 6.388 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409049173 1071966246 /nfs/dbraw/zinc/96/62/46/1071966246.db2.gz VGZQVBCJNYWEPB-UHFFFAOYSA-N -2 3 627.131 6.208 40 0 KKABHL CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)cc(Br)c1OCC(=O)[O-] ZINC000409334678 1072344915 /nfs/dbraw/zinc/34/49/15/1072344915.db2.gz IADNLTDDOWQSRE-UHFFFAOYSA-N -2 3 507.406 5.348 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409363491 1072589785 /nfs/dbraw/zinc/58/97/85/1072589785.db2.gz LZYGJMBMFVHPPO-UHFFFAOYSA-N -2 3 617.125 6.752 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000409360780 1072605625 /nfs/dbraw/zinc/60/56/25/1072605625.db2.gz FUNLVLJJNBUVGA-UHFFFAOYSA-N -2 3 548.235 5.445 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)cc1 ZINC000409411805 1072792281 /nfs/dbraw/zinc/79/22/81/1072792281.db2.gz ZVNFQBGGQQPIDF-UHFFFAOYSA-N -2 3 600.118 5.819 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000409410443 1072805327 /nfs/dbraw/zinc/80/53/27/1072805327.db2.gz XFGYSQNKMRTZPE-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)ccc2Cl)cc1 ZINC000409409323 1072810950 /nfs/dbraw/zinc/81/09/50/1072810950.db2.gz HLXXKKOQNVNPNV-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409409422 1072811324 /nfs/dbraw/zinc/81/13/24/1072811324.db2.gz OUTHOLNSMFJAIU-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=c1cc(-c2ccc(O)cc2)oc2cc([O-])c(-c3c(O)cc4oc(-c5ccc(O)cc5)cc([O-])c-4c3=O)c([O-])c12 ZINC000067911347 1072900861 /nfs/dbraw/zinc/90/08/61/1072900861.db2.gz KNOJWNDGCRZBBA-UHFFFAOYSA-N -3 3 538.464 5.134 40 0 biogenic,in-vitro KKABHL [O-]c1ccccc1-c1cc(-c2ccccc2)nc(NCCCNc2nc(-c3ccccc3)cc(-c3ccccc3[O-])n2)n1 ZINC000001578292 551684929 /nfs/dbraw/zinc/68/49/29/551684929.db2.gz ZJRJQERZZYZPMO-UHFFFAOYSA-N -2 3 566.665 7.260 40 0 KKABHL O=C(c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccc2ccccc2c1 ZINC000004293490 552457284 /nfs/dbraw/zinc/45/72/84/552457284.db2.gz UUUPUHLWKDQKOO-ZCYQVOJMSA-N -2 3 558.819 5.873 40 0 KKABHL O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000100097079 554218587 /nfs/dbraw/zinc/21/85/87/554218587.db2.gz PWPUEAUEXAXVSG-UHFFFAOYSA-N -2 3 550.283 5.499 40 0 KKABHL CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100353265 554331863 /nfs/dbraw/zinc/33/18/63/554331863.db2.gz RHZKIDADPZWQRJ-UHSQPCAPSA-N -2 3 610.070 5.245 40 0 KKABHL COc1ccc(C(=O)[C@@H](CC2=C([O-])C(=C([O-])C(=O)Nc3ccc(Cl)cc3C)C(C)(C)CC2=O)c2ccc(OC)cc2)cc1 ZINC000100742109 554463191 /nfs/dbraw/zinc/46/31/91/554463191.db2.gz UDASKYXLIKUSHD-HFASVGIHSA-N -2 3 604.099 6.031 40 0 KKABHL O=S(=O)([N-]c1ccc(Br)cc1)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000060028169 554490910 /nfs/dbraw/zinc/49/09/10/554490910.db2.gz XYFOPBVXEZUPHA-UHFFFAOYSA-N -2 3 559.463 5.843 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)cc2Cl)cc1 ZINC000060028210 554491078 /nfs/dbraw/zinc/49/10/78/554491078.db2.gz ZNCIHJMCAWFGIW-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)c(Cl)c2)cc1 ZINC000060028808 554495593 /nfs/dbraw/zinc/49/55/93/554495593.db2.gz KXKLCRANQVXQKE-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccc([N-]S(=O)(=O)c4ccc(CC)cc4)cc3)cc2)cc1 ZINC000100959902 554542104 /nfs/dbraw/zinc/54/21/04/554542104.db2.gz KHDYRSCGMZCCKN-UHFFFAOYSA-N -2 3 534.703 6.004 40 0 KKABHL CCc1ccc(CC)c(S(=O)(=O)[N-]c2ccc(-c3ccc([N-]S(=O)(=O)c4cc(CC)ccc4CC)cc3)cc2)c1 ZINC000102358645 554915720 /nfs/dbraw/zinc/91/57/20/554915720.db2.gz INPRLANOTZPUOS-UHFFFAOYSA-N -2 3 576.784 7.205 40 0 KKABHL COc1ccc(C(=O)[C@@H](CC2=C([O-])C(=C([O-])C(=O)Nc3ccc(Cl)cc3C)C(C)(C)CC2=O)c2ccc(OC)cc2)cc1 ZINC000104194517 571376567 /nfs/dbraw/zinc/37/65/67/571376567.db2.gz UDASKYXLIKUSHD-IWVFXYMLSA-N -2 3 604.099 6.031 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)c(C)c1 ZINC000105553576 571407522 /nfs/dbraw/zinc/40/75/22/571407522.db2.gz HPLJORZOEPIQGL-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2Cl)c1 ZINC000106358889 571412185 /nfs/dbraw/zinc/41/21/85/571412185.db2.gz DNNUFNFQDSZZFG-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000106444289 571412623 /nfs/dbraw/zinc/41/26/23/571412623.db2.gz DGXPPJCGNCFUIB-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)cc2)cc1 ZINC000106496284 571412816 /nfs/dbraw/zinc/41/28/16/571412816.db2.gz MIFHSEBOQZVCID-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000107677487 571420784 /nfs/dbraw/zinc/42/07/84/571420784.db2.gz DQTXVHCQZKGMKE-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000108026182 571422051 /nfs/dbraw/zinc/42/20/51/571422051.db2.gz NXMSZQGLIZYGIM-UHFFFAOYSA-N -2 3 565.673 5.248 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000109060166 571428271 /nfs/dbraw/zinc/42/82/71/571428271.db2.gz FOAOSOMFXSRXIM-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1 ZINC000110193788 571430899 /nfs/dbraw/zinc/43/08/99/571430899.db2.gz LJWPLRNWJHIVBE-UHFFFAOYSA-N -2 3 565.673 5.248 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cc2)cc1 ZINC000110261107 571430960 /nfs/dbraw/zinc/43/09/60/571430960.db2.gz VMKRKNPHZYCZQV-UHFFFAOYSA-N -2 3 600.118 5.901 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)c1 ZINC000110413625 571431206 /nfs/dbraw/zinc/43/12/06/571431206.db2.gz CXGDPCOTGAXTBT-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000112256886 571437561 /nfs/dbraw/zinc/43/75/61/571437561.db2.gz GBFYHMXYWUPLGI-UHFFFAOYSA-N -2 3 592.139 5.131 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)c2C)cc1 ZINC000113619184 571440845 /nfs/dbraw/zinc/44/08/45/571440845.db2.gz PLMWTPBNDGUILP-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)cc2)cc1Cl ZINC000113620511 571440985 /nfs/dbraw/zinc/44/09/85/571440985.db2.gz NMHXKTKUJAEJRB-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000140359616 571455664 /nfs/dbraw/zinc/45/56/64/571455664.db2.gz SYJADBHHIVWXIV-UHFFFAOYSA-N -2 3 529.039 6.042 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4Cl)cc3)ccc2Cl)cc1 ZINC000150435551 571495421 /nfs/dbraw/zinc/49/54/21/571495421.db2.gz FFMYCCZQPARZHP-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)ccc1Cl ZINC000150435888 571496106 /nfs/dbraw/zinc/49/61/06/571496106.db2.gz FYUNQVJBZLTZDX-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL O=C1[C@H]2[C@H](C(=O)N1c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C1C=CC2[C@H]2C(=O)N(c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)C(=O)[C@H]21 ZINC000150451074 571502790 /nfs/dbraw/zinc/50/27/90/571502790.db2.gz UWODHPLZLZIJFE-QXKMNEKXSA-N -2 3 777.664 5.322 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000215929449 571588227 /nfs/dbraw/zinc/58/82/27/571588227.db2.gz YFEVYMXDLDRSEZ-UHFFFAOYSA-N -2 3 610.035 6.213 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000215955982 571589392 /nfs/dbraw/zinc/58/93/92/571589392.db2.gz RRVZWXVVNAKKGJ-UHFFFAOYSA-N -2 3 524.620 5.398 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000215975438 571590263 /nfs/dbraw/zinc/59/02/63/571590263.db2.gz JPKVOBYQHHNHJI-UHFFFAOYSA-N -2 3 542.038 5.194 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)cc2)cc1C ZINC000216132471 571593255 /nfs/dbraw/zinc/59/32/55/571593255.db2.gz MTFLRIIEJKFXRP-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224882802 571626338 /nfs/dbraw/zinc/62/63/38/571626338.db2.gz FGBIJCQQAVFCPU-GOTSBHOMSA-N -3 3 535.965 5.274 40 0 KKABHL COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)ccc1[N-]S(C)(=O)=O ZINC000225440316 571810158 /nfs/dbraw/zinc/81/01/58/571810158.db2.gz DFGLDJITTVUOQI-JWQCQUIFSA-N -2 3 599.090 5.250 40 0 KKABHL COC(OC)c1c([O-])c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263593703 572127263 /nfs/dbraw/zinc/12/72/63/572127263.db2.gz BOWLQQJFDGRYHV-XQEKKIFESA-N -2 3 771.857 5.046 40 0 KKABHL Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408544614 572216157 /nfs/dbraw/zinc/21/61/57/572216157.db2.gz VXAZHCPTVVKRIX-UHFFFAOYSA-N -2 3 587.883 6.102 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)ccc2C)cc1 ZINC000408544734 572216799 /nfs/dbraw/zinc/21/67/99/572216799.db2.gz JBPFZAPYMMIUAW-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c1 ZINC000408545846 572220992 /nfs/dbraw/zinc/22/09/92/572220992.db2.gz AQPNKFMVBPOSFI-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2)cc1 ZINC000408546096 572222212 /nfs/dbraw/zinc/22/22/12/572222212.db2.gz CFACBRQQLSLYAP-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2Cl)c1 ZINC000408546826 572224213 /nfs/dbraw/zinc/22/42/13/572224213.db2.gz WJBBTAOMOKCCIG-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)cc1Cl ZINC000408546896 572224508 /nfs/dbraw/zinc/22/45/08/572224508.db2.gz HDCSNSVAVODWAG-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c1 ZINC000408548473 572229426 /nfs/dbraw/zinc/22/94/26/572229426.db2.gz SKMBJPXGENMSNS-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1C ZINC000408548764 572230016 /nfs/dbraw/zinc/23/00/16/572230016.db2.gz UTKMXWRJNMEBCN-UHFFFAOYSA-N -2 3 638.089 6.830 40 0 KKABHL CCCc1nc(SC(=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n[n-]1 ZINC000408632125 572288455 /nfs/dbraw/zinc/28/84/55/572288455.db2.gz NPOIYIOZVXXXED-BKUYFWCQSA-N -2 3 511.445 6.049 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408714999 1069735738 /nfs/dbraw/zinc/73/57/38/1069735738.db2.gz UWGVNBKHIANITF-UHFFFAOYSA-N -2 3 599.678 5.265 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409360253 1070888028 /nfs/dbraw/zinc/88/80/28/1070888028.db2.gz DLFYLXUDZBFLBS-UHFFFAOYSA-N -2 3 548.235 5.445 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000409360253 1070888057 /nfs/dbraw/zinc/88/80/57/1070888057.db2.gz DLFYLXUDZBFLBS-UHFFFAOYSA-N -2 3 548.235 5.445 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1Br ZINC000408921150 1071096398 /nfs/dbraw/zinc/09/63/98/1071096398.db2.gz FIRHSVBITVQTME-UHFFFAOYSA-N -2 3 565.389 5.078 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408693355 1071391894 /nfs/dbraw/zinc/39/18/94/1071391894.db2.gz PTUBQMJSPWUMTB-UHFFFAOYSA-N -2 3 632.082 5.595 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693003 1071393447 /nfs/dbraw/zinc/39/34/47/1071393447.db2.gz ATEAFMYQCTZFJQ-UHFFFAOYSA-N -2 3 612.557 5.620 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408705270 1071435440 /nfs/dbraw/zinc/43/54/40/1071435440.db2.gz AVAYFSIBOMKSIR-UHFFFAOYSA-N -2 3 612.557 5.476 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715037 1071471722 /nfs/dbraw/zinc/47/17/22/1071471722.db2.gz YGZZLAPLQPIHAT-UHFFFAOYSA-N -2 3 638.631 5.645 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714783 1071472552 /nfs/dbraw/zinc/47/25/52/1071472552.db2.gz ODHGKMCXNMRKEM-UHFFFAOYSA-N -2 3 559.735 5.026 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)cc2)cc1 ZINC000408714884 1071473458 /nfs/dbraw/zinc/47/34/58/1071473458.db2.gz ROWDRWZUNICQDM-UHFFFAOYSA-N -2 3 589.761 5.035 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCCCCC4)c3)cc2)c(OC)c1 ZINC000408714830 1071473650 /nfs/dbraw/zinc/47/36/50/1071473650.db2.gz PSXOGNQQNSIZNO-UHFFFAOYSA-N -2 3 619.787 5.044 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1C(=O)N1CCCCC1 ZINC000408714584 1071476145 /nfs/dbraw/zinc/47/61/45/1071476145.db2.gz HENHTEBYHOWQKB-UHFFFAOYSA-N -2 3 573.762 5.253 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(I)c(OCc2cccc3ccccc32)c(I)c1 ZINC000409046814 1071828053 /nfs/dbraw/zinc/82/80/53/1071828053.db2.gz MMYFJLRZYQTDRV-UHFFFAOYSA-N -2 3 692.295 6.282 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 ZINC000409059751 1072038914 /nfs/dbraw/zinc/03/89/14/1072038914.db2.gz XKOLZWFVCSHTGH-UHFFFAOYSA-N -2 3 711.125 6.436 40 0 KKABHL Cc1ccc(-c2[n-][nH]c(=O)c2C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2ccc(O)c(Br)c2)cc1 ZINC000409371182 1072651288 /nfs/dbraw/zinc/65/12/88/1072651288.db2.gz GTIUUHPFBPKROO-UHFFFAOYSA-N -2 3 531.410 6.143 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409176413 1072707563 /nfs/dbraw/zinc/70/75/63/1072707563.db2.gz MURLLDQZYKSOLN-UHFFFAOYSA-N -2 3 503.386 5.626 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc2C)c1 ZINC000409406801 1072757193 /nfs/dbraw/zinc/75/71/93/1072757193.db2.gz CQSTUPJYKGEIHF-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000409167438 1072760185 /nfs/dbraw/zinc/76/01/85/1072760185.db2.gz LAADDFSQZAVGEM-UHFFFAOYSA-N -2 3 548.235 5.445 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1I ZINC000409412726 1072786563 /nfs/dbraw/zinc/78/65/63/1072786563.db2.gz ZOCYCJXGADTTIM-UHFFFAOYSA-N -2 3 613.282 5.208 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2Cl)cc1C ZINC000409412073 1072791745 /nfs/dbraw/zinc/79/17/45/1072791745.db2.gz QTVLLXQIXYHNRA-UHFFFAOYSA-N -2 3 588.082 5.950 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2Cl)cc1C ZINC000409411463 1072796213 /nfs/dbraw/zinc/79/62/13/1072796213.db2.gz XEYOCRUGYHIHMA-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2Cl)c1 ZINC000409411336 1072797703 /nfs/dbraw/zinc/79/77/03/1072797703.db2.gz GJLVIUQWWYLPHT-UHFFFAOYSA-N -2 3 574.055 5.641 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2Cl)cc1C ZINC000409411106 1072798232 /nfs/dbraw/zinc/79/82/32/1072798232.db2.gz CEBWWZCFKGZCKX-UHFFFAOYSA-N -2 3 620.152 6.964 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2)cc1 ZINC000409410841 1072801480 /nfs/dbraw/zinc/80/14/80/1072801480.db2.gz RAJXGHOLKUBGQS-UHFFFAOYSA-N -2 3 614.145 6.209 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)[N-]c5ccc(C)c(Cl)c5)cc4c3c2)cc1Cl ZINC000409223024 1072989738 /nfs/dbraw/zinc/98/97/38/1072989738.db2.gz FBEACUWKODLYFF-UHFFFAOYSA-N -2 3 575.495 7.111 40 0 KKABHL CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Br)c1OCc1ccccc1 ZINC000096193436 553727483 /nfs/dbraw/zinc/72/74/83/553727483.db2.gz KTONYKJPEXJBRG-UHFFFAOYSA-N -2 3 513.392 5.081 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(c2c(Nc3ccccc3)[n-]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000059662944 554420998 /nfs/dbraw/zinc/42/09/98/554420998.db2.gz HASRIPWUGSAWNO-KQDQWFAOSA-N -2 3 595.663 5.523 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000059852537 554451549 /nfs/dbraw/zinc/45/15/49/554451549.db2.gz YFJHGWSCKNUJGU-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)c2)cc1 ZINC000059852632 554452189 /nfs/dbraw/zinc/45/21/89/554452189.db2.gz WFULJSSUNAVJCM-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)c2)cc1 ZINC000059923091 554472919 /nfs/dbraw/zinc/47/29/19/554472919.db2.gz ULCLKELZARYMHS-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000059924358 554475257 /nfs/dbraw/zinc/47/52/57/554475257.db2.gz STRBBENSTGYKRC-UHFFFAOYSA-N -2 3 540.619 5.098 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)cc2)c(OC)c1 ZINC000060028144 554490516 /nfs/dbraw/zinc/49/05/16/554490516.db2.gz NPQJBZBRRGYMAO-UHFFFAOYSA-N -2 3 616.117 5.520 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)c(OC)c1 ZINC000060028334 554492246 /nfs/dbraw/zinc/49/22/46/554492246.db2.gz RDKHPHJTXYCRJB-UHFFFAOYSA-N -2 3 540.619 5.098 40 0 KKABHL COc1ccc(C(=O)[C@@H](CC2=C([O-])C(=C([O-])C(=O)Nc3c(C)cccc3C)C(C)(C)CC2=O)c2ccc(OC)cc2)cc1 ZINC000102946424 555171946 /nfs/dbraw/zinc/17/19/46/555171946.db2.gz NKWMHORWBJWYDH-HPUNYJORSA-N -2 3 583.681 5.686 40 0 KKABHL Cc1cc2c(c(I)c1[O-])Oc1c(I)c([O-])c(C)cc1C21OC(=O)c2ccccc21 ZINC000103666390 555461936 /nfs/dbraw/zinc/46/19/36/555461936.db2.gz RPSDBCNTVXHSII-UHFFFAOYSA-N -2 3 612.157 5.492 40 0 KKABHL C/C(=C\CC/C(C)=C/C[C@@]1(O)C(=O)c2c([O-])cc(C)c3c([O-])c(C)c(O)c(c32)C1=O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000072320143 571360914 /nfs/dbraw/zinc/36/09/14/571360914.db2.gz KSZSKZKYKHSXLE-HNEZQIKASA-N -2 3 594.745 6.385 40 0 biogenic,in-vitro KKABHL O=C(Nc1ccc(-c2ccc(NC(=O)c3cc4ccccc4cc3[O-])cc2)cc1)c1cc2ccccc2cc1[O-] ZINC000104823492 571386657 /nfs/dbraw/zinc/38/66/57/571386657.db2.gz ZZLKJQVILQJBIC-UHFFFAOYSA-N -2 3 524.576 7.576 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1 ZINC000105260269 571392450 /nfs/dbraw/zinc/39/24/50/571392450.db2.gz BSYGFUDYDYEBQK-UHFFFAOYSA-N -2 3 571.680 6.002 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)cc1 ZINC000107543215 571420143 /nfs/dbraw/zinc/42/01/43/571420143.db2.gz VODMGZMZDAKIPO-UHFFFAOYSA-N -2 3 600.118 5.901 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)cc2)cc1 ZINC000107603758 571420442 /nfs/dbraw/zinc/42/04/42/571420442.db2.gz PYUHETDXWRSXKZ-UHFFFAOYSA-N -2 3 571.680 6.002 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2C)c(C)c1 ZINC000107679869 571420761 /nfs/dbraw/zinc/42/07/61/571420761.db2.gz NUWDFPVCXDSSOS-UHFFFAOYSA-N -2 3 567.664 5.605 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)ccc1Cl ZINC000108047318 571422046 /nfs/dbraw/zinc/42/20/46/571422046.db2.gz HIPLVUPZNAYTCB-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2C)c1 ZINC000108329664 571423441 /nfs/dbraw/zinc/42/34/41/571423441.db2.gz WMDPAQPXIKZUPO-UHFFFAOYSA-N -2 3 617.671 6.485 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2C)c1 ZINC000108343496 571423522 /nfs/dbraw/zinc/42/35/22/571423522.db2.gz SUNFABPAPIYLIX-UHFFFAOYSA-N -2 3 567.664 5.605 40 0 KKABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000109028042 571428041 /nfs/dbraw/zinc/42/80/41/571428041.db2.gz AXCVPOUXEHLJJH-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)cc1 ZINC000109058282 571428341 /nfs/dbraw/zinc/42/83/41/571428341.db2.gz PRYVTDGOJUCDFD-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2C)c(C)c1 ZINC000109221871 571428741 /nfs/dbraw/zinc/42/87/41/571428741.db2.gz NDILOGWUQQPGGW-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1 ZINC000109342214 571428967 /nfs/dbraw/zinc/42/89/67/571428967.db2.gz WIBILDRZFSGASR-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000109606973 571429503 /nfs/dbraw/zinc/42/95/03/571429503.db2.gz OCRZDTRVJUBPPH-UHFFFAOYSA-N -2 3 565.673 5.248 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)cc2)c(C)c1 ZINC000110037832 571430506 /nfs/dbraw/zinc/43/05/06/571430506.db2.gz MGBZWLDOBNPKFZ-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000113620195 571440941 /nfs/dbraw/zinc/44/09/41/571440941.db2.gz BZDLWMPWYZNQKH-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)c2)cc1 ZINC000140063408 571454768 /nfs/dbraw/zinc/45/47/68/571454768.db2.gz ZKWOENCODICLJA-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(Br)c([O-])c(Br)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000150360224 571463752 /nfs/dbraw/zinc/46/37/52/571463752.db2.gz UCFVVJANJWYPSF-UHFFFAOYSA-N -2 3 654.359 5.399 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)c1C ZINC000150434382 571494920 /nfs/dbraw/zinc/49/49/20/571494920.db2.gz VQKVHHZPKKDEDU-UHFFFAOYSA-N -2 3 652.116 7.138 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4Cl)cc3)ccc2Cl)cc1 ZINC000150435230 571495269 /nfs/dbraw/zinc/49/52/69/571495269.db2.gz FFCBXXRIJRUUMU-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL O=S(=O)([N-]c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1)c1ccc(Br)cc1 ZINC000150454696 571504190 /nfs/dbraw/zinc/50/41/90/571504190.db2.gz IHRYNJJGGLMOLA-UHFFFAOYSA-N -2 3 638.359 6.606 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cc(Br)cc(I)c1[O-] ZINC000150523013 571520147 /nfs/dbraw/zinc/52/01/47/571520147.db2.gz ZBIXWJZWCVHCLL-XMMPIXPASA-N -3 3 657.306 5.927 40 0 KKABHL O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(-c4ccc([N-]S(=O)(=O)c5cc6cccc7c6c(c5)C(=O)NC7=O)cc4)cc3)cc3cccc1c32 ZINC000150603512 571522710 /nfs/dbraw/zinc/52/27/10/571522710.db2.gz NWAJXHVJWCNYKY-UHFFFAOYSA-N -2 3 702.726 5.029 40 0 KKABHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1Cl ZINC000216015126 571591903 /nfs/dbraw/zinc/59/19/03/571591903.db2.gz LKKLWXXLJZBGJV-UHFFFAOYSA-N -2 3 548.857 5.071 40 0 KKABHL COC(OC)c1c([O-])c2c3c4c(C)c([O-])c2c(O)c1NC(=O)C(C)=CC=C[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263593702 572127282 /nfs/dbraw/zinc/12/72/82/572127282.db2.gz BOWLQQJFDGRYHV-UXLUXDHPSA-N -2 3 771.857 5.046 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000408543266 572212360 /nfs/dbraw/zinc/21/23/60/572212360.db2.gz CKEXEKQETRXCFV-UHFFFAOYSA-N -2 3 593.727 5.783 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4Cl)cc3)ccc2Cl)c1 ZINC000408544273 572215153 /nfs/dbraw/zinc/21/51/53/572215153.db2.gz DNKKVHUDYLLOHO-UHFFFAOYSA-N -2 3 638.982 7.118 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408545013 572217126 /nfs/dbraw/zinc/21/71/26/572217126.db2.gz LZIUWEZUAMSNHH-UHFFFAOYSA-N -2 3 600.516 5.611 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)cc1 ZINC000408545250 572218513 /nfs/dbraw/zinc/21/85/13/572218513.db2.gz JPLIXACLZDLKJA-UHFFFAOYSA-N -2 3 600.118 5.819 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)c1 ZINC000408545862 572221208 /nfs/dbraw/zinc/22/12/08/572221208.db2.gz PAZCRWSGPRGKDD-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)ccc2Cl)c(C)c1 ZINC000408546171 572221918 /nfs/dbraw/zinc/22/19/18/572221918.db2.gz REVAODWNMTUEBV-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)c1 ZINC000408546418 572222536 /nfs/dbraw/zinc/22/25/36/572222536.db2.gz SHJXHOIKIFPCAV-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)c1 ZINC000408547285 572225093 /nfs/dbraw/zinc/22/50/93/572225093.db2.gz YJAWPZUHLQUQPQ-UHFFFAOYSA-N -2 3 652.116 7.138 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1 ZINC000408547338 572225105 /nfs/dbraw/zinc/22/51/05/572225105.db2.gz INYZDNBZDQQEOO-UHFFFAOYSA-N -2 3 600.118 5.819 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)ccc1C ZINC000408547427 572225555 /nfs/dbraw/zinc/22/55/55/572225555.db2.gz JJSSEUKJDYMCNG-UHFFFAOYSA-N -2 3 585.707 6.311 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000408547539 572226305 /nfs/dbraw/zinc/22/63/05/572226305.db2.gz ZMMODLRRBMQAJK-UHFFFAOYSA-N -2 3 610.035 6.213 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)cc1 ZINC000408547841 572227343 /nfs/dbraw/zinc/22/73/43/572227343.db2.gz NRUJNUSRNKBESX-UHFFFAOYSA-N -2 3 586.091 5.593 40 0 KKABHL Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408549069 572230986 /nfs/dbraw/zinc/23/09/86/572230986.db2.gz WKVGZTCMJFFLBJ-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2Cl)cc1 ZINC000408549070 572231094 /nfs/dbraw/zinc/23/10/94/572231094.db2.gz WLLCMWJVXBGLSH-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL CCCc1nc(SC(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)[O-])n[n-]1 ZINC000408630551 572286346 /nfs/dbraw/zinc/28/63/46/572286346.db2.gz BNIVIGQFOYUSJP-WQRHYEAKSA-N -2 3 508.825 5.970 40 0 KKABHL CCCc1nc(SC(=Cc2cc(OC)c(OCc3ccccc3)cc2Br)C(=O)[O-])n[n-]1 ZINC000408630569 572286349 /nfs/dbraw/zinc/28/63/49/572286349.db2.gz BXCQEWHNYWEYMX-ODLFYWEKSA-N -2 3 504.406 5.325 40 0 KKABHL CCCc1nc(SC(=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408633537 572290273 /nfs/dbraw/zinc/29/02/73/572290273.db2.gz ZRLQSRLFVLPGED-WQRHYEAKSA-N -2 3 585.851 5.821 40 0 KKABHL CCN(CC)C(=O)COc1cc2c([O-])c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=CC=C(C)C(=O)N2 ZINC000253740525 572301957 /nfs/dbraw/zinc/30/19/57/572301957.db2.gz VFYNXKZVOUXHDX-DUSPKOIISA-N -2 3 810.938 5.296 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1C(=O)N1CCCC1 ZINC000408714746 1069735494 /nfs/dbraw/zinc/73/54/94/1069735494.db2.gz MWVRZFUDGIMLNB-UHFFFAOYSA-N -2 3 581.741 5.399 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714998 1071470942 /nfs/dbraw/zinc/47/09/42/1071470942.db2.gz UVZVLZKWJKIJEP-UHFFFAOYSA-N -2 3 608.207 5.844 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408715011 1071471797 /nfs/dbraw/zinc/47/17/97/1071471797.db2.gz WBSCUXRHTWMTKB-UHFFFAOYSA-N -2 3 662.177 6.554 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408715022 1071471945 /nfs/dbraw/zinc/47/19/45/1071471945.db2.gz WNGBHHJNJVAUAE-UHFFFAOYSA-N -2 3 580.153 5.208 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714789 1071472544 /nfs/dbraw/zinc/47/25/44/1071472544.db2.gz OJVIHBZSQCNIAD-UHFFFAOYSA-N -2 3 587.789 5.499 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714733 1071474308 /nfs/dbraw/zinc/47/43/08/1071474308.db2.gz MGPPNMWSEACIAO-UHFFFAOYSA-N -2 3 628.625 6.189 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714904 1071474375 /nfs/dbraw/zinc/47/43/75/1071474375.db2.gz SKKHXHUEYPDCBV-UHFFFAOYSA-N -2 3 628.625 6.333 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408714591 1071476274 /nfs/dbraw/zinc/47/62/74/1071476274.db2.gz HZLIWVUULLDEFX-UHFFFAOYSA-N -2 3 594.180 5.598 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714630 1071477080 /nfs/dbraw/zinc/47/70/80/1071477080.db2.gz LAWHNLKWZSRCER-UHFFFAOYSA-N -2 3 594.180 5.536 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000408712407 1071485733 /nfs/dbraw/zinc/48/57/33/1071485733.db2.gz YWOOISNFUOXZMP-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)cc2)cc1Cl ZINC000408711572 1071491701 /nfs/dbraw/zinc/49/17/01/1071491701.db2.gz ZVDODZFXKTZMKS-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3C)cc2)c(OC)c1 ZINC000408711536 1071494782 /nfs/dbraw/zinc/49/47/82/1071494782.db2.gz UZVADKLPXCUXKG-UHFFFAOYSA-N -2 3 595.699 5.175 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000408711180 1071500160 /nfs/dbraw/zinc/50/01/60/1071500160.db2.gz DIMAAYBJYLTJJO-UHFFFAOYSA-N -2 3 557.653 5.694 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(I)c(OCc2ccccc2Cl)c(I)c1 ZINC000409048573 1071969866 /nfs/dbraw/zinc/96/98/66/1071969866.db2.gz SDHBIQXBQGQQQR-UHFFFAOYSA-N -2 3 676.680 5.783 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c(Cl)c1Cl ZINC000409111733 1072391617 /nfs/dbraw/zinc/39/16/17/1072391617.db2.gz DTBRHDPEADDPQY-UHFFFAOYSA-N -2 3 515.440 5.220 40 0 KKABHL O=C([O-])c1cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)ccc1Cl ZINC000409411339 1072797658 /nfs/dbraw/zinc/79/76/58/1072797658.db2.gz GKYGPDZSLMICPV-UHFFFAOYSA-N -2 3 559.829 5.485 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2Cl)c1 ZINC000409410969 1072799639 /nfs/dbraw/zinc/79/96/39/1072799639.db2.gz BOFFVPZFZGLNFS-UHFFFAOYSA-N -2 3 588.082 5.950 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)ccc1C ZINC000409411001 1072800251 /nfs/dbraw/zinc/80/02/51/1072800251.db2.gz SCHIUNHBNHZCGG-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000409410513 1072803225 /nfs/dbraw/zinc/80/32/25/1072803225.db2.gz XSALKDYWBQRADC-UHFFFAOYSA-N -2 3 535.647 5.157 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000409410507 1072803322 /nfs/dbraw/zinc/80/33/22/1072803322.db2.gz NOTFLHRKEIKRQU-UHFFFAOYSA-N -2 3 565.673 5.166 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1Cl ZINC000409410350 1072804862 /nfs/dbraw/zinc/80/48/62/1072804862.db2.gz VNRLGCKSKJJVKD-UHFFFAOYSA-N -2 3 521.831 5.257 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)c1 ZINC000409408965 1072813251 /nfs/dbraw/zinc/81/32/51/1072813251.db2.gz FLTPHAKNCDAEMW-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2Cl)c1 ZINC000409408136 1072816992 /nfs/dbraw/zinc/81/69/92/1072816992.db2.gz IUDKFRIPLUGTMA-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1cc2c(c(Br)c1[O-])Oc1c(Br)c([O-])c(C)cc1C21OC(=O)c2ccccc21 ZINC000004742997 552474893 /nfs/dbraw/zinc/47/48/93/552474893.db2.gz KCHVZEAMZOXQJI-UHFFFAOYSA-N -2 3 518.157 5.808 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)cc2)cc1 ZINC000059852686 554452477 /nfs/dbraw/zinc/45/24/77/554452477.db2.gz GZVMFIFZIJTCAA-UHFFFAOYSA-N -2 3 586.091 5.593 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)c(Cl)c2)cc1 ZINC000059852957 554453251 /nfs/dbraw/zinc/45/32/51/554453251.db2.gz NCTHDLPCUKLANL-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000059923023 554472974 /nfs/dbraw/zinc/47/29/74/554472974.db2.gz IBNASUSYZAUZAE-UHFFFAOYSA-N -2 3 576.483 5.847 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)c(Cl)c2)cc1 ZINC000060060042 554498159 /nfs/dbraw/zinc/49/81/59/554498159.db2.gz RPJJSAAIZPFLMY-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)c(Cl)c2)cc1 ZINC000060060133 554498332 /nfs/dbraw/zinc/49/83/32/554498332.db2.gz FEZJUUNXSFBNGP-UHFFFAOYSA-N -2 3 574.055 5.641 40 0 KKABHL Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(c2c(Nc3ccccc3)[n-]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000100998657 554551516 /nfs/dbraw/zinc/55/15/16/554551516.db2.gz HASRIPWUGSAWNO-USIGKAAMSA-N -2 3 595.663 5.523 40 0 KKABHL COc1ccc(C(=O)[C@@H](CC2=C([O-])C(=C([O-])C(=O)Nc3c(C)cccc3C)C(C)(C)CC2=O)c2ccc(OC)cc2)cc1 ZINC000102946422 555171885 /nfs/dbraw/zinc/17/18/85/555171885.db2.gz NKWMHORWBJWYDH-YCVJPRETSA-N -2 3 583.681 5.686 40 0 KKABHL COc1ccc(C(=O)[C@@H](CC2=C([O-])C(=C([O-])C(=O)Nc3c(C)cccc3C)C(C)(C)CC2=O)c2ccc(OC)cc2)cc1 ZINC000102946418 555171897 /nfs/dbraw/zinc/17/18/97/555171897.db2.gz NKWMHORWBJWYDH-YIKNKFAXSA-N -2 3 583.681 5.686 40 0 KKABHL O=C1[N-][C@@H](c2cc(Br)c([O-])c(Br)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000105563155 571407557 /nfs/dbraw/zinc/40/75/57/571407557.db2.gz ZHJYPGGOKPKIHW-AWEZNQCLSA-N -2 3 513.236 5.353 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2C)c1C ZINC000106244100 571411632 /nfs/dbraw/zinc/41/16/32/571411632.db2.gz KAWYJGGEDBUMQZ-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2Cl)c1 ZINC000106466138 571412589 /nfs/dbraw/zinc/41/25/89/571412589.db2.gz IQQGQKQSBCLCGL-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1Cl ZINC000106614380 571413182 /nfs/dbraw/zinc/41/31/82/571413182.db2.gz YEYBQXBJZRTHDG-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2Cl)c1C ZINC000108915113 571427483 /nfs/dbraw/zinc/42/74/83/571427483.db2.gz QLYUDSUKPCIMML-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)ccc2C)c1 ZINC000109060169 571428289 /nfs/dbraw/zinc/42/82/89/571428289.db2.gz BJIWWFKCIJVZKU-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000109107217 571428462 /nfs/dbraw/zinc/42/84/62/571428462.db2.gz BFPPJGBAFMELIP-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000109107497 571428494 /nfs/dbraw/zinc/42/84/94/571428494.db2.gz GRVWATGVBNHODZ-UHFFFAOYSA-N -2 3 540.972 6.114 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)c(C)c1 ZINC000109663858 571429724 /nfs/dbraw/zinc/42/97/24/571429724.db2.gz UFAZJDJBUOZLKP-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)ccc2C)c1C ZINC000109693281 571429815 /nfs/dbraw/zinc/42/98/15/571429815.db2.gz BQEKKERAABXGRU-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)cc2)cc1 ZINC000109731374 571429905 /nfs/dbraw/zinc/42/99/05/571429905.db2.gz UOCZVUFZOYGYDY-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)cc2)c(C)c1 ZINC000109777234 571430045 /nfs/dbraw/zinc/43/00/45/571430045.db2.gz HSAYLNAPYVEWDA-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000110270033 571431005 /nfs/dbraw/zinc/43/10/05/571431005.db2.gz BHZACALOAIDNJL-UHFFFAOYSA-N -2 3 537.006 5.682 40 0 KKABHL COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000111425309 571432003 /nfs/dbraw/zinc/43/20/03/571432003.db2.gz KPKYHZZXPKPYJX-UHFFFAOYSA-N -2 3 615.255 5.840 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000140346734 571455560 /nfs/dbraw/zinc/45/55/60/571455560.db2.gz RNNMQBNTAWGFHG-UHFFFAOYSA-N -2 3 586.091 5.511 40 0 KKABHL CCCCCC(=O)C(C)(C1=Nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2C1=O)C1=Nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2C1=O ZINC000150409669 571481853 /nfs/dbraw/zinc/48/18/53/571481853.db2.gz TZTYANZUOKSPJD-UHFFFAOYSA-N -2 3 705.523 5.773 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccc2C)c1 ZINC000150426046 571490380 /nfs/dbraw/zinc/49/03/80/571490380.db2.gz OXEUKLZXIXBFNY-UHFFFAOYSA-N -2 3 638.089 6.830 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2Cl)c(C)c1 ZINC000150427812 571491824 /nfs/dbraw/zinc/49/18/24/571491824.db2.gz PIGXEVMOJGMLHW-UHFFFAOYSA-N -2 3 638.089 6.830 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000197850263 571565891 /nfs/dbraw/zinc/56/58/91/571565891.db2.gz ZAXPPQVUKDORIP-UHFFFAOYSA-N -2 3 644.480 6.866 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2Cl)cc1 ZINC000197969703 571566194 /nfs/dbraw/zinc/56/61/94/571566194.db2.gz WPOLFARNBDMFTP-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000215919703 571587854 /nfs/dbraw/zinc/58/78/54/571587854.db2.gz LNNXPLMRJIKJQI-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N-]S(=O)(=O)c4ccc(C)cc4)ccc3Cl)cc2)cc1 ZINC000215926385 571587927 /nfs/dbraw/zinc/58/79/27/571587927.db2.gz NEPMKZWTYJJTFX-UHFFFAOYSA-N -2 3 586.091 5.511 40 0 KKABHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000216017299 571592053 /nfs/dbraw/zinc/59/20/53/571592053.db2.gz RQYRXNUWZQTYBX-UHFFFAOYSA-N -2 3 592.098 6.347 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000216128067 571593064 /nfs/dbraw/zinc/59/30/64/571593064.db2.gz CLKSLEKZPIKSRM-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000216352956 571595189 /nfs/dbraw/zinc/59/51/89/571595189.db2.gz GEBBORRPLSZLMC-UHFFFAOYSA-N -2 3 600.118 5.819 40 0 KKABHL Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224883663 571626413 /nfs/dbraw/zinc/62/64/13/571626413.db2.gz VGALNHUNEKJFGX-BJKOFHAPSA-N -2 3 505.983 5.884 40 0 KKABHL O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224883994 571626498 /nfs/dbraw/zinc/62/64/98/571626498.db2.gz PDYMHPQLZUJZSL-PKTZIBPZSA-N -2 3 526.401 6.229 40 0 KKABHL COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)ccc1[N-]S(C)(=O)=O ZINC000225440280 571810463 /nfs/dbraw/zinc/81/04/63/571810463.db2.gz DFGLDJITTVUOQI-LOSJGSFVSA-N -2 3 599.090 5.250 40 0 KKABHL CCn1c(C)c(C(=O)OC)c2c1c1c3c4c(C)c([O-])c1c([O-])c2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O ZINC000263603235 572129395 /nfs/dbraw/zinc/12/93/95/572129395.db2.gz NGYYYQSYTAPXRX-TXQOMXLRSA-N -2 3 820.933 6.118 40 0 KKABHL Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[O-])nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408541292 572208429 /nfs/dbraw/zinc/20/84/29/572208429.db2.gz AFGXGLREBTXMKM-UHFFFAOYSA-N -2 3 525.428 5.456 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2Cl)cc1C ZINC000408545159 572217796 /nfs/dbraw/zinc/21/77/96/572217796.db2.gz PZWPSQMAJHNRTD-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2C)c1 ZINC000408545750 572220657 /nfs/dbraw/zinc/22/06/57/572220657.db2.gz NVUJZLNUYZWFIS-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2C)cc1C ZINC000408545811 572221219 /nfs/dbraw/zinc/22/12/19/572221219.db2.gz AHDCJSMYEUFEBR-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2C)c1 ZINC000408546208 572222160 /nfs/dbraw/zinc/22/21/60/572222160.db2.gz CUERRIFGCXHPIH-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000408546125 572222226 /nfs/dbraw/zinc/22/22/26/572222226.db2.gz CJBFSKVTZOWTTR-UHFFFAOYSA-N -2 3 565.673 5.166 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2C)c1 ZINC000408546426 572222815 /nfs/dbraw/zinc/22/28/15/572222815.db2.gz SINYXIODWWLDHX-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)cc2)cc1 ZINC000408546551 572223201 /nfs/dbraw/zinc/22/32/01/572223201.db2.gz FFDSMNYLHYUMFQ-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)cc2)c1 ZINC000408547786 572227401 /nfs/dbraw/zinc/22/74/01/572227401.db2.gz MVQCCAXVZUWRAO-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)cc2)cc1 ZINC000408548434 572228895 /nfs/dbraw/zinc/22/88/95/572228895.db2.gz RNYGUKCFRUSDNN-UHFFFAOYSA-N -2 3 579.700 5.556 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)ccc2C)c1C ZINC000408549307 572231327 /nfs/dbraw/zinc/23/13/27/572231327.db2.gz XCYZXIHSDGDNFX-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL CCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)[O-])n[n-]1 ZINC000408630558 572286269 /nfs/dbraw/zinc/28/62/69/572286269.db2.gz BSLKBVIUBRMSHP-IUXPMGMMSA-N -2 3 529.243 6.233 40 0 KKABHL O=c1[n-]c(-c2cc(Br)cc(I)c2[O-])nc2sc3c(c21)CCCCCC3 ZINC000408985171 1070345939 /nfs/dbraw/zinc/34/59/39/1070345939.db2.gz ABSRFCGUYROKSV-UHFFFAOYSA-N -2 3 531.213 5.796 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000409047202 1070457961 /nfs/dbraw/zinc/45/79/61/1070457961.db2.gz NSBJGPJRSMCGNI-UHFFFAOYSA-N -2 3 676.680 5.783 40 0 KKABHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 ZINC000409047202 1070457976 /nfs/dbraw/zinc/45/79/76/1070457976.db2.gz NSBJGPJRSMCGNI-UHFFFAOYSA-N -2 3 676.680 5.783 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1C(=O)N1CCCCC1 ZINC000408715055 1071472640 /nfs/dbraw/zinc/47/26/40/1071472640.db2.gz ZDCQBPRJVMWXLJ-UHFFFAOYSA-N -2 3 573.762 5.253 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408714725 1071474267 /nfs/dbraw/zinc/47/42/67/1071474267.db2.gz LMHLKZCDQKHGID-UHFFFAOYSA-N -2 3 627.732 6.045 40 0 KKABHL CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C(=O)N1CCCC1 ZINC000408714569 1071475345 /nfs/dbraw/zinc/47/53/45/1071475345.db2.gz FOFMGYSUXOXHPK-UHFFFAOYSA-N -2 3 610.577 5.009 40 0 KKABHL Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408711462 1071493306 /nfs/dbraw/zinc/49/33/06/1071493306.db2.gz ZDRKLVZKKMIOOW-UHFFFAOYSA-N -2 3 571.680 6.002 40 0 KKABHL Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408711514 1071494037 /nfs/dbraw/zinc/49/40/37/1071494037.db2.gz RAXUWZNYTZURMH-UHFFFAOYSA-N -2 3 571.680 6.002 40 0 KKABHL O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000409175041 1072718761 /nfs/dbraw/zinc/71/87/61/1072718761.db2.gz YLLJWJMLZXYEJO-UHFFFAOYSA-N -2 3 525.357 5.614 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2)cc1 ZINC000409412377 1072787485 /nfs/dbraw/zinc/78/74/85/1072787485.db2.gz VORPIYQAFIGNLP-UHFFFAOYSA-N -2 3 600.118 5.819 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2Cl)c1 ZINC000409411581 1072795028 /nfs/dbraw/zinc/79/50/28/1072795028.db2.gz JRULUKXSQABKCF-UHFFFAOYSA-N -2 3 638.089 6.830 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000409411207 1072796646 /nfs/dbraw/zinc/79/66/46/1072796646.db2.gz UUEJQBMLVHDKIK-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)cc1 ZINC000409410229 1072805774 /nfs/dbraw/zinc/80/57/74/1072805774.db2.gz LOPGYAXWLGHMTC-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)ccc2Cl)c(C)c1 ZINC000409410085 1072806965 /nfs/dbraw/zinc/80/69/65/1072806965.db2.gz TUYQVRJMNZJWRX-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1Cl ZINC000409409767 1072808270 /nfs/dbraw/zinc/80/82/70/1072808270.db2.gz QXPOTMFVYVRUAV-UHFFFAOYSA-N -2 3 556.065 5.502 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3)ccc2C)c1 ZINC000409408346 1072816296 /nfs/dbraw/zinc/81/62/96/1072816296.db2.gz BYORCSLZBZLVSX-UHFFFAOYSA-N -2 3 599.734 6.619 40 0 KKABHL COc1cc(OC)c2c([O-])c3c(c(-c4c5cc(OC)cc(OC)c5c([O-])c5c4[C@H](O)[C@H](C)OC5)c2c1)[C@H](O)[C@H](C)OC3 ZINC000003925460 291972336 /nfs/dbraw/zinc/97/23/36/291972336.db2.gz AVAQRWVGWWNBIN-CUAUGLLKSA-N -2 3 578.614 5.010 40 0 biogenic,in-vitro KKABHL O=S(=O)([N-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001583239 551685295 /nfs/dbraw/zinc/68/52/95/551685295.db2.gz FBEXNTGJNCCFQP-UHFFFAOYSA-N -2 3 526.250 5.902 40 0 KKABHL CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000004293322 552456985 /nfs/dbraw/zinc/45/69/85/552456985.db2.gz RHZKIDADPZWQRJ-WNJJXGMVSA-N -2 3 610.070 5.245 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)cc1 ZINC000013677150 553483084 /nfs/dbraw/zinc/48/30/84/553483084.db2.gz CNHWKMKYOQLNMA-UHFFFAOYSA-N -2 3 515.440 5.135 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000059662087 554420452 /nfs/dbraw/zinc/42/04/52/554420452.db2.gz FGQFKEPHXURUJT-UHFFFAOYSA-N -2 3 524.689 6.056 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)c2)cc1 ZINC000060028118 554490298 /nfs/dbraw/zinc/49/02/98/554490298.db2.gz POSFDBVMQWYPKA-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3Cl)cc2)cc1 ZINC000060028314 554492224 /nfs/dbraw/zinc/49/22/24/554492224.db2.gz UJVJXORRWVMHBT-UHFFFAOYSA-N -2 3 586.091 5.511 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)c2)cc1 ZINC000060028893 554496694 /nfs/dbraw/zinc/49/66/94/554496694.db2.gz HYSJMDKCERPJCW-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL O=S(=O)([N-]c1cccc2c([N-]S(=O)(=O)c3ccc4ccccc4c3)cccc12)c1ccc2ccccc2c1 ZINC000100959924 554542172 /nfs/dbraw/zinc/54/21/72/554542172.db2.gz VWNBASWBNRRKPW-UHFFFAOYSA-N -2 3 538.650 6.748 40 0 KKABHL CCOc1ccc([N-]S(=O)(=O)c2cc(S(=O)(=O)[N-]c3ccc(OCC)cc3)c3cccc4c3c2SC4=O)cc1 ZINC000102628931 554988742 /nfs/dbraw/zinc/98/87/42/554988742.db2.gz PQAGHHIRWXHUJF-UHFFFAOYSA-N -2 3 584.697 5.485 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc([N-]S(=O)(=O)c5ccc(C)cc5)cc4s3)cc2)cc1 ZINC000103537297 555436719 /nfs/dbraw/zinc/43/67/19/555436719.db2.gz RBOPVZQJTHXXBO-UHFFFAOYSA-N -2 3 549.699 6.182 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)ccc2Cl)cc1 ZINC000105899857 571409360 /nfs/dbraw/zinc/40/93/60/571409360.db2.gz WPGGBAXWFPLWQX-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)ccc2C)c(C)c1 ZINC000108096391 571422320 /nfs/dbraw/zinc/42/23/20/571422320.db2.gz RDTINIVPBOCFFL-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2C)c1C ZINC000108929582 571427633 /nfs/dbraw/zinc/42/76/33/571427633.db2.gz FSGPZXKGVWNJKQ-UHFFFAOYSA-N -2 3 598.146 6.428 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2Cl)c1 ZINC000109284253 571428927 /nfs/dbraw/zinc/42/89/27/571428927.db2.gz CMQNXOWLJZQADS-UHFFFAOYSA-N -2 3 604.537 6.464 40 0 KKABHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)cc2)cc1 ZINC000109764006 571429987 /nfs/dbraw/zinc/42/99/87/571429987.db2.gz KATPDEBWSAXCPI-UHFFFAOYSA-N -2 3 565.673 5.166 40 0 KKABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000113619700 571441014 /nfs/dbraw/zinc/44/10/14/571441014.db2.gz FIEYQXVBVGGWBO-UHFFFAOYSA-N -2 3 549.674 5.466 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000113619695 571441041 /nfs/dbraw/zinc/44/10/41/571441041.db2.gz HHAVOHJZGHUONT-UHFFFAOYSA-N -2 3 579.700 5.474 40 0 KKABHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000113620702 571441125 /nfs/dbraw/zinc/44/11/25/571441125.db2.gz MTUQNMVRDNMTGR-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)c2)cc1 ZINC000139676576 571453368 /nfs/dbraw/zinc/45/33/68/571453368.db2.gz ORVGZTNADLTNDW-UHFFFAOYSA-N -2 3 590.510 6.156 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000150409351 571481491 /nfs/dbraw/zinc/48/14/91/571481491.db2.gz JUFSFWUICALQNS-UHFFFAOYSA-N -2 3 646.109 5.841 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)ccc2Cl)c1C ZINC000150433691 571494461 /nfs/dbraw/zinc/49/44/61/571494461.db2.gz KBUKNCLOAYKPOC-UHFFFAOYSA-N -2 3 638.089 6.830 40 0 KKABHL Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000150586130 571522040 /nfs/dbraw/zinc/52/20/40/571522040.db2.gz SKVUOFODZBTXBS-UHFFFAOYSA-N -2 3 624.062 6.521 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4Cl)cc3)c(Cl)c2)cc1 ZINC000197982117 571566383 /nfs/dbraw/zinc/56/63/83/571566383.db2.gz SBFSIYJGSXLWFW-UHFFFAOYSA-N -2 3 624.955 6.809 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)c2)cc1 ZINC000215957938 571589397 /nfs/dbraw/zinc/58/93/97/571589397.db2.gz WFZBVSOXAGYYFG-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000215959387 571589551 /nfs/dbraw/zinc/58/95/51/571589551.db2.gz SIXCOQPPFYHCHP-UHFFFAOYSA-N -2 3 600.118 5.819 40 0 KKABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)c(Cl)c2)cc1 ZINC000215975165 571590236 /nfs/dbraw/zinc/59/02/36/571590236.db2.gz ZGCWHLCFLRXJCK-UHFFFAOYSA-N -2 3 634.961 6.265 40 0 KKABHL Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)ccc1N1CCCC1=O ZINC000216128585 571593097 /nfs/dbraw/zinc/59/30/97/571593097.db2.gz SMNIKRSGCTXSNR-UHFFFAOYSA-N -2 3 554.477 5.030 40 0 KKABHL O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224883951 571626482 /nfs/dbraw/zinc/62/64/82/571626482.db2.gz PDYMHPQLZUJZSL-DHIUTWEWSA-N -2 3 526.401 6.229 40 0 KKABHL COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)ccc1[N-]S(C)(=O)=O ZINC000225440241 571810372 /nfs/dbraw/zinc/81/03/72/571810372.db2.gz DFGLDJITTVUOQI-RPBOFIJWSA-N -2 3 599.090 5.250 40 0 KKABHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)ccc2C)c1 ZINC000408544373 572215347 /nfs/dbraw/zinc/21/53/47/572215347.db2.gz HJAVNHPJDLGOEF-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)ccc1C ZINC000408545289 572218346 /nfs/dbraw/zinc/21/83/46/572218346.db2.gz JZNYLPHHVRTFOF-UHFFFAOYSA-N -2 3 584.119 6.119 40 0 KKABHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)ccc2C)c1 ZINC000408545743 572220600 /nfs/dbraw/zinc/22/06/00/572220600.db2.gz NRGRDQKCBCYAGW-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2)c(C)c1 ZINC000408545838 572221136 /nfs/dbraw/zinc/22/11/36/572221136.db2.gz OUYQGXIXYXZZJV-UHFFFAOYSA-N -2 3 570.092 5.811 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3)ccc2C)cc1 ZINC000408545909 572221529 /nfs/dbraw/zinc/22/15/29/572221529.db2.gz BIINMSYTRWZKGM-UHFFFAOYSA-N -2 3 563.701 5.774 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3)ccc2C)cc1C ZINC000408546129 572222095 /nfs/dbraw/zinc/22/20/95/572222095.db2.gz QXSNGUROBBKNDC-UHFFFAOYSA-N -2 3 567.664 5.605 40 0 KKABHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3)ccc2Cl)cc1C ZINC000408546288 572222563 /nfs/dbraw/zinc/22/25/63/572222563.db2.gz DKKZTOWGNGHDTE-UHFFFAOYSA-N -2 3 618.564 6.773 40 0 KKABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)c(C)c4)c3)cc2)c1 ZINC000408546279 572222766 /nfs/dbraw/zinc/22/27/66/572222766.db2.gz DIURXDAIZHGMNM-UHFFFAOYSA-N -2 3 577.728 6.083 40 0 KKABHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2)c1 ZINC000408549506 572231919 /nfs/dbraw/zinc/23/19/19/572231919.db2.gz ZAUSNPUWUALPJG-UHFFFAOYSA-N -2 3 609.726 5.483 40 0 KKABHL CCCc1nc(SC(=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408631925 572288143 /nfs/dbraw/zinc/28/81/43/572288143.db2.gz NGNNJSJICRKNQR-PDGQHHTCSA-N -2 3 504.406 5.325 40 0 KKABHL CCc1nc(SC(=Cc2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408632839 572289381 /nfs/dbraw/zinc/28/93/81/572289381.db2.gz UDBCTMHWIZEXPJ-BKUYFWCQSA-N -2 3 540.439 6.088 40 0 KKABHL COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C(=O)[O-])n[n-]1 ZINC000408632852 572289397 /nfs/dbraw/zinc/28/93/97/572289397.db2.gz UGBJTANXFPTGRP-UUASQNMZSA-N -3 3 530.773 5.122 40 0 KKABHL COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)[O-])n[n-]1 ZINC000408634288 572291227 /nfs/dbraw/zinc/29/12/27/572291227.db2.gz TXNRMZUSEUZQPD-GRSHGNNSSA-N -3 3 532.361 5.963 40 0 KKABHL CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(C5SCCS5)c(c(O)c4c([O-])c3C)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000254112521 572302099 /nfs/dbraw/zinc/30/20/99/572302099.db2.gz GCEUDIONNAAMRI-KDVZDXLFSA-N -2 3 801.977 6.233 40 0 KKABHL COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc1F ZINC000408677145 572318969 /nfs/dbraw/zinc/31/89/69/572318969.db2.gz APAGSCIGSOJPHQ-UHFFFAOYSA-N -2 3 538.928 5.108 40 0 KKABHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1OCC ZINC000408679778 572320784 /nfs/dbraw/zinc/32/07/84/572320784.db2.gz LJAXHLRGOHTJFV-UHFFFAOYSA-N -2 3 525.048 5.047 40 0 KKABHL COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1C(C)C ZINC000408680625 572321310 /nfs/dbraw/zinc/32/13/10/572321310.db2.gz OIJATMUVNIRDNJ-UHFFFAOYSA-N -2 3 528.574 5.439 40 0 KKABHL