smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C1CC2CCC1N2S(=O)(=O)c1c(Cl)cccc1Br ZINC000261777545 553158973 /nfs/dbraw/zinc/15/89/73/553158973.db2.gz WNYCFHKPDJKFOU-SOCHQFKDSA-N -1 2 394.674 2.729 20 0 GFADLM CC(=O)N(c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1)C1CC1 ZINC000295195065 563234816 /nfs/dbraw/zinc/23/48/16/563234816.db2.gz LVRXXMVVHFLWTK-UHFFFAOYSA-N -1 2 380.447 2.762 20 0 GFADLM CC(C)n1nc2c(cc1=O)C[N@H+](Cc1cc(O)ccc1Br)CC2 ZINC000371333121 563273471 /nfs/dbraw/zinc/27/34/71/563273471.db2.gz CMIDGBFVTQERAA-UHFFFAOYSA-N -1 2 378.270 2.851 20 0 GFADLM CC(C)n1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n1 ZINC000319193525 563444628 /nfs/dbraw/zinc/44/46/28/563444628.db2.gz OYPGCCFDTXOTOK-UHFFFAOYSA-N -1 2 388.243 2.726 20 0 GFADLM C[N@H+]1CC[C@H](NS(=O)(=O)c2cncc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328825940 563466086 /nfs/dbraw/zinc/46/60/86/563466086.db2.gz JDEVRCLGWLREQQ-JKSUJKDBSA-N -1 2 387.839 2.737 20 0 GFADLM CCn1ncc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C(F)(F)F ZINC000410405567 563589913 /nfs/dbraw/zinc/58/99/13/563589913.db2.gz RRZIRABEJPGWDA-UHFFFAOYSA-N -1 2 377.344 2.729 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000436178402 563667135 /nfs/dbraw/zinc/66/71/35/563667135.db2.gz HTBSNQMOHSWCDN-UHFFFAOYSA-N -1 2 387.410 2.790 20 0 GFADLM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000541807812 564289774 /nfs/dbraw/zinc/28/97/74/564289774.db2.gz UCNLGNDARANJLI-JTQLQIEISA-N -1 2 383.447 2.599 20 0 GFADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000476398778 564337770 /nfs/dbraw/zinc/33/77/70/564337770.db2.gz GRKNSNSRINNDMP-UHFFFAOYSA-N -1 2 397.762 2.906 20 0 GFADLM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000567269622 564364270 /nfs/dbraw/zinc/36/42/70/564364270.db2.gz PFVLSBQMWBFLOU-YUMQZZPRSA-N -1 2 376.634 2.991 20 0 GFADLM O=C([O-])c1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000547609976 564502451 /nfs/dbraw/zinc/50/24/51/564502451.db2.gz UFNGZDGWVKWPGE-UHFFFAOYSA-N -1 2 395.176 2.671 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000548032228 564529462 /nfs/dbraw/zinc/52/94/62/564529462.db2.gz HUEYMRQTPKLHQJ-UHFFFAOYSA-N -1 2 383.447 2.959 20 0 GFADLM Cc1nc(-c2ccc(C)c(NS(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n[nH]1 ZINC000484647207 564593856 /nfs/dbraw/zinc/59/38/56/564593856.db2.gz ZCTRVDNVEIGORD-UHFFFAOYSA-N -1 2 378.435 2.649 20 0 GFADLM Cc1noc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486087934 564638611 /nfs/dbraw/zinc/63/86/11/564638611.db2.gz BJQBSBUIXCCIFX-UHFFFAOYSA-N -1 2 380.300 2.689 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)c(Cl)c1 ZINC000573595172 564645608 /nfs/dbraw/zinc/64/56/08/564645608.db2.gz IJWWVNRNPVMDPE-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM COC(=O)C(C)(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000525018924 564692166 /nfs/dbraw/zinc/69/21/66/564692166.db2.gz JBYIIHDXUMSLNF-UHFFFAOYSA-N -1 2 383.447 2.698 20 0 GFADLM CCc1cc(=O)c2cc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2[nH]1 ZINC000537397212 565058213 /nfs/dbraw/zinc/05/82/13/565058213.db2.gz SSLKJKCSDZVCAI-UHFFFAOYSA-N -1 2 378.431 2.651 20 0 GFADLM C[C@@H](Oc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(F)(F)F ZINC000584313525 565076136 /nfs/dbraw/zinc/07/61/36/565076136.db2.gz UVBCTPVZYLYLSK-MRVPVSSYSA-N -1 2 378.328 2.843 20 0 GFADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000588625539 565134369 /nfs/dbraw/zinc/13/43/69/565134369.db2.gz QCCGPJQYTGHVPJ-UHFFFAOYSA-N -1 2 379.419 2.752 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)N(C)C)sc1C(=O)[O-] ZINC000615954192 565181319 /nfs/dbraw/zinc/18/13/19/565181319.db2.gz ZEJSWFLZZXDHBA-UHFFFAOYSA-N -1 2 383.451 2.649 20 0 GFADLM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000590565985 565191877 /nfs/dbraw/zinc/19/18/77/565191877.db2.gz YOVAHVBGWBSGBE-JTQLQIEISA-N -1 2 382.463 2.753 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OCCCCO)s1 ZINC000629328729 565843800 /nfs/dbraw/zinc/84/38/00/565843800.db2.gz PVYAOTBSQRVQMQ-UHFFFAOYSA-N -1 2 385.463 2.707 20 0 GFADLM CCn1c(=O)c2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2[nH]c1=S ZINC000737295209 599769407 /nfs/dbraw/zinc/76/94/07/599769407.db2.gz GGADLZUBATZPDO-UHFFFAOYSA-N -1 2 397.456 2.975 20 0 GFADLM CCOCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1 ZINC000737177708 599815688 /nfs/dbraw/zinc/81/56/88/599815688.db2.gz HUUJTAKVIKDZSD-UHFFFAOYSA-N -1 2 399.446 2.570 20 0 GFADLM COc1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(OC)cc1Cl ZINC000737900069 600092952 /nfs/dbraw/zinc/09/29/52/600092952.db2.gz TXHLGHZEBLNZAH-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c(F)c1 ZINC000738660645 600102377 /nfs/dbraw/zinc/10/23/77/600102377.db2.gz SFEDYXAWJKRKDE-UHFFFAOYSA-N -1 2 381.410 2.946 20 0 GFADLM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)nc2)c1OC ZINC000737869757 600169215 /nfs/dbraw/zinc/16/92/15/600169215.db2.gz AEPXYYWZJPLHLK-UTCJRWHESA-N -1 2 398.824 2.651 20 0 GFADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000115876968 600482691 /nfs/dbraw/zinc/48/26/91/600482691.db2.gz RZFVRBYGXQFAJI-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC000738463229 600629637 /nfs/dbraw/zinc/62/96/37/600629637.db2.gz FMPGLVRPEUDKMY-UHFFFAOYSA-N -1 2 389.408 2.748 20 0 GFADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000327341815 600636178 /nfs/dbraw/zinc/63/61/78/600636178.db2.gz BTXUNJSYSCVMJB-UHFFFAOYSA-N -1 2 386.788 2.937 20 0 GFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2)c1 ZINC000740272522 600896920 /nfs/dbraw/zinc/89/69/20/600896920.db2.gz WSWVLPOPXAZSEY-UHFFFAOYSA-N -1 2 384.504 2.800 20 0 GFADLM COC(=O)C(C)(C)c1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000737561188 600899445 /nfs/dbraw/zinc/89/94/45/600899445.db2.gz DBEFAGSSBAOIPJ-UHFFFAOYSA-N -1 2 395.433 2.846 20 0 GFADLM CC(C)c1ccc(Cn2nccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000827123775 600975875 /nfs/dbraw/zinc/97/58/75/600975875.db2.gz CPJTZGCXHCKKGO-UHFFFAOYSA-N -1 2 388.449 2.882 20 0 GFADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2cc(F)ccc2Cl)s1 ZINC000833232473 602105790 /nfs/dbraw/zinc/10/57/90/602105790.db2.gz VJDMVLCDJJNWKZ-UHFFFAOYSA-N -1 2 379.822 2.539 20 0 GFADLM O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3ccc(O)c(Cl)c3)cc2)[nH]1 ZINC000832730217 603913212 /nfs/dbraw/zinc/91/32/12/603913212.db2.gz OFBWXMRZVZHCSG-UHFFFAOYSA-N -1 2 387.783 2.851 20 0 GFADLM Cc1cc(F)c(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)cc1F ZINC000830054440 604262451 /nfs/dbraw/zinc/26/24/51/604262451.db2.gz AYTKIEBKZCJMNG-UHFFFAOYSA-N -1 2 386.332 2.893 20 0 GFADLM CN(C(=O)c1cc(Cl)cc(Br)c1O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827926786 604923499 /nfs/dbraw/zinc/92/34/99/604923499.db2.gz IJHCNKGJRWAISP-QMMMGPOBSA-N -1 2 377.622 2.632 20 0 GFADLM Cc1cc(Br)c(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)s1 ZINC000268813365 654987844 /nfs/dbraw/zinc/98/78/44/654987844.db2.gz UTXDZANVRDCKSZ-JTQLQIEISA-N -1 2 376.301 2.898 20 0 GFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c1Cl ZINC000780424230 657005418 /nfs/dbraw/zinc/00/54/18/657005418.db2.gz CVHCZAJHJQWHCX-UHFFFAOYSA-N -1 2 397.762 2.900 20 0 GFADLM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000852736337 661873227 /nfs/dbraw/zinc/87/32/27/661873227.db2.gz LUOROPRBDXLPAB-RYUDHWBXSA-N -1 2 382.741 2.575 20 0 GFADLM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1c(F)cccc1Cl ZINC000852736337 661873230 /nfs/dbraw/zinc/87/32/30/661873230.db2.gz LUOROPRBDXLPAB-RYUDHWBXSA-N -1 2 382.741 2.575 20 0 GFADLM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000422534204 563342141 /nfs/dbraw/zinc/34/21/41/563342141.db2.gz AHSBPVFXBQAZNU-ZJUUUORDSA-N -1 2 380.857 2.855 20 0 GFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(C)cc(C)c1C(=O)[O-] ZINC000442815032 563780566 /nfs/dbraw/zinc/78/05/66/563780566.db2.gz IWSSQWPVKSIMDH-UHFFFAOYSA-N -1 2 383.447 2.959 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(F)(F)F)cn1 ZINC000507897085 564247061 /nfs/dbraw/zinc/24/70/61/564247061.db2.gz ZGLOBAKEJVAZAZ-UHFFFAOYSA-N -1 2 376.312 2.788 20 0 GFADLM Cc1ncc(S(=O)(=O)Nc2ccc(Cc3nc(C(=O)[O-])cs3)cc2)s1 ZINC000541307552 564274195 /nfs/dbraw/zinc/27/41/95/564274195.db2.gz NCRMMEUBZLCCKI-UHFFFAOYSA-N -1 2 395.487 2.998 20 0 GFADLM CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000547870949 564513986 /nfs/dbraw/zinc/51/39/86/564513986.db2.gz QABABHONFDLLNQ-UHFFFAOYSA-N -1 2 388.854 2.537 20 0 GFADLM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000526004703 564715182 /nfs/dbraw/zinc/71/51/82/564715182.db2.gz LRIMUPSQHQTOLA-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c1OC ZINC000533691123 564970014 /nfs/dbraw/zinc/97/00/14/564970014.db2.gz PVBRPOIBUXFRDF-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM COC(=O)c1csc(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])c1 ZINC000614326052 565108501 /nfs/dbraw/zinc/10/85/01/565108501.db2.gz QVQYJVIVFGLEEB-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)[O-])c1 ZINC000587994683 565122781 /nfs/dbraw/zinc/12/27/81/565122781.db2.gz SBHFGDICKBVEGB-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM COC(=O)c1c(C)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000589555966 565167071 /nfs/dbraw/zinc/16/70/71/565167071.db2.gz BJDKWBIOQSTPPO-UHFFFAOYSA-N -1 2 387.410 2.790 20 0 GFADLM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)s1 ZINC000603974263 565921203 /nfs/dbraw/zinc/92/12/03/565921203.db2.gz JRYZCSQPJZDKOC-UHFFFAOYSA-N -1 2 387.460 2.756 20 0 GFADLM CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000611444540 566129777 /nfs/dbraw/zinc/12/97/77/566129777.db2.gz YMVJLPQMGYFWTN-UHFFFAOYSA-N -1 2 387.410 2.871 20 0 GFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000737717047 599814509 /nfs/dbraw/zinc/81/45/09/599814509.db2.gz GSRMYGVVSSQHFV-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000737687685 599874425 /nfs/dbraw/zinc/87/44/25/599874425.db2.gz HGQDSVBZUNDJDF-UHFFFAOYSA-N -1 2 386.385 2.520 20 0 GFADLM COc1ccc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2c1 ZINC000738078666 600049740 /nfs/dbraw/zinc/04/97/40/600049740.db2.gz ICKDXMXLZVNODI-UHFFFAOYSA-N -1 2 382.394 2.943 20 0 GFADLM CC1(C)Cc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2C(=O)C1 ZINC000736727507 600051952 /nfs/dbraw/zinc/05/19/52/600051952.db2.gz XMQWAGOSMMISQQ-UHFFFAOYSA-N -1 2 398.437 2.936 20 0 GFADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738799376 600054719 /nfs/dbraw/zinc/05/47/19/600054719.db2.gz VCVOYGMLMSZNPJ-UHFFFAOYSA-N -1 2 395.437 2.939 20 0 GFADLM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)nc2)c1OC ZINC000737869760 600169209 /nfs/dbraw/zinc/16/92/09/600169209.db2.gz AEPXYYWZJPLHLK-ZZXKWVIFSA-N -1 2 398.824 2.651 20 0 GFADLM CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)c1 ZINC000737124093 600233233 /nfs/dbraw/zinc/23/32/33/600233233.db2.gz VUOMYFLOOYOZEY-UHFFFAOYSA-N -1 2 398.387 2.522 20 0 GFADLM COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])cn1 ZINC000484507643 600675783 /nfs/dbraw/zinc/67/57/83/600675783.db2.gz ZJELLANANKXVPF-UHFFFAOYSA-N -1 2 387.417 2.688 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)ccc1C(=O)[O-] ZINC000738478614 600891956 /nfs/dbraw/zinc/89/19/56/600891956.db2.gz YLFUHLQHNDMUOY-UHFFFAOYSA-N -1 2 385.445 2.933 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c[nH]1 ZINC000833306227 600977470 /nfs/dbraw/zinc/97/74/70/600977470.db2.gz KXBCXFUBCZIKPE-UHFFFAOYSA-N -1 2 399.400 2.839 20 0 GFADLM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(Br)cc1O ZINC000740289297 601116895 /nfs/dbraw/zinc/11/68/95/601116895.db2.gz IKWKLHHMLBJLDS-UHFFFAOYSA-N -1 2 378.225 2.715 20 0 GFADLM Cc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000832950166 601484134 /nfs/dbraw/zinc/48/41/34/601484134.db2.gz DVNVYRQIEPTSLH-UHFFFAOYSA-N -1 2 397.478 2.935 20 0 GFADLM O=C([O-])C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccc(F)cc1 ZINC000833199667 601757307 /nfs/dbraw/zinc/75/73/07/601757307.db2.gz AVGXTYFRBBEAGI-OAHLLOKOSA-N -1 2 387.342 2.802 20 0 GFADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000833232410 602107793 /nfs/dbraw/zinc/10/77/93/602107793.db2.gz RJRMPFWOBJVBJR-UHFFFAOYSA-N -1 2 395.384 2.765 20 0 GFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-] ZINC000739722187 602367514 /nfs/dbraw/zinc/36/75/14/602367514.db2.gz HEIKUSWDLUWCLO-DRZSPHRISA-N -1 2 390.465 2.666 20 0 GFADLM O=C([O-])Nc1ccccc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000740714955 602653332 /nfs/dbraw/zinc/65/33/32/602653332.db2.gz DUQLZZNVMQBESF-UHFFFAOYSA-N -1 2 379.369 2.601 20 0 GFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000819089050 660246069 /nfs/dbraw/zinc/24/60/69/660246069.db2.gz JSJVIFMJTPTCTO-YGRLFVJLSA-N -1 2 375.368 2.706 20 0 GFADLM COC(=O)CCc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000786100624 657406981 /nfs/dbraw/zinc/40/69/81/657406981.db2.gz KJXKIICQRRBHFZ-UHFFFAOYSA-N -1 2 383.447 2.661 20 0 GFADLM C[C@H](Sc1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1)C(=O)[O-] ZINC000794767572 658611012 /nfs/dbraw/zinc/61/10/12/658611012.db2.gz OLUWGHYXUYWWCS-NSHDSACASA-N -1 2 381.479 2.659 20 0 GFADLM O=C([O-])c1cccc(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1O ZINC000800840003 659336700 /nfs/dbraw/zinc/33/67/00/659336700.db2.gz VBDPZRBCMQHSGR-UHFFFAOYSA-N -1 2 381.793 2.674 20 0 GFADLM Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(CNC(=O)C(F)(F)F)c2)sn1 ZINC000872373549 662763235 /nfs/dbraw/zinc/76/32/35/662763235.db2.gz JPSABGLTGKJXOU-UHFFFAOYSA-N -1 2 393.412 2.739 20 0 GFADLM Cc1ccc(-c2ncccc2NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000189747429 552478979 /nfs/dbraw/zinc/47/89/79/552478979.db2.gz XRKDTAJMCYBOML-UHFFFAOYSA-N -1 2 377.447 2.956 20 0 GFADLM CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000237134609 553075629 /nfs/dbraw/zinc/07/56/29/553075629.db2.gz IEQPOELFSIOGFE-UHFFFAOYSA-N -1 2 384.251 2.968 20 0 GFADLM Cc1cc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)c2ccccc2Br)on1 ZINC000295322232 563241735 /nfs/dbraw/zinc/24/17/35/563241735.db2.gz MDOXKDAOPFSDAC-RISCZKNCSA-N -1 2 382.258 2.738 20 0 GFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2OCCC3=O)c1 ZINC000371598794 563282613 /nfs/dbraw/zinc/28/26/13/563282613.db2.gz UJEVHLGBOZSKQU-UHFFFAOYSA-N -1 2 381.793 2.804 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c(Br)c1 ZINC000317539654 563443197 /nfs/dbraw/zinc/44/31/97/563443197.db2.gz WGBDDRRBYJKVEM-UHFFFAOYSA-N -1 2 386.223 2.962 20 0 GFADLM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000327641162 563459303 /nfs/dbraw/zinc/45/93/03/563459303.db2.gz BPZWGHHXJWJWMO-UHFFFAOYSA-N -1 2 383.809 2.934 20 0 GFADLM Cc1c(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])cnn1C ZINC000427114114 563459786 /nfs/dbraw/zinc/45/97/86/563459786.db2.gz NCWHHDODHXPWPD-UHFFFAOYSA-N -1 2 377.447 2.956 20 0 GFADLM CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(Br)cc(Cl)c2O)[N@H+](C)C1 ZINC000284635655 563483534 /nfs/dbraw/zinc/48/35/34/563483534.db2.gz DAVAQOYIKISTFG-QWRGUYRKSA-N -1 2 391.693 2.599 20 0 GFADLM COc1cncc(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])c1 ZINC000410400605 563589938 /nfs/dbraw/zinc/58/99/38/563589938.db2.gz LLMPDFYJUJMFNC-UHFFFAOYSA-N -1 2 382.463 2.766 20 0 GFADLM O=C([O-])c1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1O ZINC000436995288 563687472 /nfs/dbraw/zinc/68/74/72/563687472.db2.gz QLVRJMNGMPYXRI-UHFFFAOYSA-N -1 2 390.186 2.793 20 0 GFADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cncc(Cl)c1 ZINC000507012612 564216438 /nfs/dbraw/zinc/21/64/38/564216438.db2.gz KGLXGSIDBWUNOG-UHFFFAOYSA-N -1 2 377.205 2.896 20 0 GFADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509074969 564280650 /nfs/dbraw/zinc/28/06/50/564280650.db2.gz NEMJKAHNWQTEIE-UHFFFAOYSA-N -1 2 385.781 2.576 20 0 GFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000511088873 564356878 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CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccccc1 ZINC000466475502 564941412 /nfs/dbraw/zinc/94/14/12/564941412.db2.gz ULHLNIHBBINMEX-UHFFFAOYSA-N -1 2 377.447 2.995 20 0 GFADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000533691631 564970231 /nfs/dbraw/zinc/97/02/31/564970231.db2.gz ZLWUMOPJOPNPIC-UHFFFAOYSA-N -1 2 379.287 2.751 20 0 GFADLM CCc1noc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000677234698 565965882 /nfs/dbraw/zinc/96/58/82/565965882.db2.gz DOGCGBSFWXOOLJ-UHFFFAOYSA-N -1 2 389.227 2.807 20 0 GFADLM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2sccc2C)c(OC)c1OC ZINC000607611387 565986414 /nfs/dbraw/zinc/98/64/14/565986414.db2.gz ZITRKWDVXJPRPT-UHFFFAOYSA-N -1 2 387.435 2.581 20 0 GFADLM O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1ccc(-c2nn[nH]n2)o1 ZINC000823368328 599434994 /nfs/dbraw/zinc/43/49/94/599434994.db2.gz UUOMDUUZHYXZLY-GOSISDBHSA-N -1 2 388.431 2.799 20 0 GFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccnn2CCc2ccccc2)c1 ZINC000740144476 600055247 /nfs/dbraw/zinc/05/52/47/600055247.db2.gz QQLYCQDRCJXUQL-UHFFFAOYSA-N -1 2 389.408 2.764 20 0 GFADLM CCCn1nccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000737051777 600057407 /nfs/dbraw/zinc/05/74/07/600057407.db2.gz TUKAQWNBVYVRFA-UHFFFAOYSA-N -1 2 377.344 2.811 20 0 GFADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(F)c(F)c3)nc2n1 ZINC000738345539 600102364 /nfs/dbraw/zinc/10/23/64/600102364.db2.gz GHTCVFFBFSIUFB-UHFFFAOYSA-N -1 2 385.373 2.777 20 0 GFADLM Cc1ccc(F)c(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000738606901 600102522 /nfs/dbraw/zinc/10/25/22/600102522.db2.gz TUADKAZFTCOVMA-UHFFFAOYSA-N -1 2 381.410 2.946 20 0 GFADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000737700401 600483097 /nfs/dbraw/zinc/48/30/97/600483097.db2.gz SXIUAHSDPMBNST-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM Cc1cccc(Oc2ccc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)c1 ZINC000832974784 600671715 /nfs/dbraw/zinc/67/17/15/600671715.db2.gz MNMKSGUTNQXBFZ-UHFFFAOYSA-N -1 2 387.417 2.869 20 0 GFADLM CCCn1cc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cn1 ZINC000743262507 600686244 /nfs/dbraw/zinc/68/62/44/600686244.db2.gz ZAUFRQXLFAFKES-UHFFFAOYSA-N -1 2 388.243 2.555 20 0 GFADLM Cn1cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1C(=O)[O-] ZINC000833055181 600828406 /nfs/dbraw/zinc/82/84/06/600828406.db2.gz BLPLOFHPTARLLO-UHFFFAOYSA-N -1 2 377.447 2.571 20 0 GFADLM COc1cccc(Cc2cnc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)s2)c1 ZINC000832558261 600976652 /nfs/dbraw/zinc/97/66/52/600976652.db2.gz HYFUHTCFTTWQDJ-UHFFFAOYSA-N -1 2 393.446 2.570 20 0 GFADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3cccc(F)c3C)nc2n1 ZINC000832867998 600979202 /nfs/dbraw/zinc/97/92/02/600979202.db2.gz UREASVUDGQCEPV-UHFFFAOYSA-N -1 2 381.410 2.946 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c[nH]1 ZINC000833306006 600981810 /nfs/dbraw/zinc/98/18/10/600981810.db2.gz GXZLLQRYNCWZDE-UHFFFAOYSA-N -1 2 385.401 2.511 20 0 GFADLM Cc1nc(-c2ccc(C)c(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])c2)n[nH]1 ZINC000832991244 601205892 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Cc1ccccc1-n1nccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832976189 601847975 /nfs/dbraw/zinc/84/79/75/601847975.db2.gz IAMAJUNNWAOXMS-UHFFFAOYSA-N -1 2 375.381 2.819 20 0 GFADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000833294684 601848074 /nfs/dbraw/zinc/84/80/74/601848074.db2.gz TVTLGOHSGINWSY-UHFFFAOYSA-N -1 2 393.421 2.767 20 0 GFADLM Cc1cc(Cl)ccc1S(=O)(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000740082850 601977321 /nfs/dbraw/zinc/97/73/21/601977321.db2.gz QEVKZLDDMKTMQD-UHFFFAOYSA-N -1 2 387.870 2.942 20 0 GFADLM CC(C)Cc1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000826912812 602104731 /nfs/dbraw/zinc/10/47/31/602104731.db2.gz HTINCXGYQWLOED-UHFFFAOYSA-N -1 2 383.495 2.945 20 0 GFADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2cccc3c2CCCC3)s1 ZINC000833232331 602105784 /nfs/dbraw/zinc/10/57/84/602105784.db2.gz NGOBNXWCQGPENU-UHFFFAOYSA-N -1 2 381.479 2.625 20 0 GFADLM COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cn1 ZINC000829585751 603398480 /nfs/dbraw/zinc/39/84/80/603398480.db2.gz 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O=C([O-])NC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000832534322 603750335 /nfs/dbraw/zinc/75/03/35/603750335.db2.gz UPTVFBUHLQQMIK-MRVPVSSYSA-N -1 2 391.649 2.928 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccccc2)cc1C(=O)[O-] ZINC000833734438 604757330 /nfs/dbraw/zinc/75/73/30/604757330.db2.gz DWRIPUOUMSQTCY-UHFFFAOYSA-N -1 2 387.417 2.893 20 0 GFADLM CC(C)C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)[O-] ZINC000833481112 604898761 /nfs/dbraw/zinc/89/87/61/604898761.db2.gz SZUWRZGOHPCPHI-CYBMUJFWSA-N -1 2 398.462 2.600 20 0 GFADLM CC(=O)N1c2ccc(S(=O)(=O)Nc3scc(C(=O)[O-])c3C)cc2C[C@H]1C ZINC000833395283 605125912 /nfs/dbraw/zinc/12/59/12/605125912.db2.gz MKEHXYWZYFYGQF-SECBINFHSA-N -1 2 394.474 2.853 20 0 GFADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833715583 605302379 /nfs/dbraw/zinc/30/23/79/605302379.db2.gz FEGBWBNNJKOMBL-UHFFFAOYSA-N -1 2 387.410 2.790 20 0 GFADLM CC(C)(C)n1cnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000833451967 605342632 /nfs/dbraw/zinc/34/26/32/605342632.db2.gz JSEPBHSVCYJIAV-UHFFFAOYSA-N -1 2 392.359 2.551 20 0 GFADLM COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)n1 ZINC000821882989 606223522 /nfs/dbraw/zinc/22/35/22/606223522.db2.gz PGMMYASWHWQSBX-JTQLQIEISA-N -1 2 383.437 2.838 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccc(-n3cncn3)c(Cl)c2)sc1C(=O)[O-] ZINC000749156841 655801243 /nfs/dbraw/zinc/80/12/43/655801243.db2.gz HMZYRANCLLUQBG-UHFFFAOYSA-N -1 2 398.853 2.790 20 0 GFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)c1F ZINC000762452876 656042509 /nfs/dbraw/zinc/04/25/09/656042509.db2.gz HQWSDLHQOYSEGJ-XMMPIXPASA-N -1 2 385.438 2.512 20 0 GFADLM O=C([O-])c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000776437964 656740657 /nfs/dbraw/zinc/74/06/57/656740657.db2.gz PBPVRWWDAMGZOT-UHFFFAOYSA-N -1 2 381.278 2.559 20 0 GFADLM COc1cc(Cl)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1C(=O)[O-] ZINC000790387590 657966275 /nfs/dbraw/zinc/96/62/75/657966275.db2.gz BFPLPEDZHQVOME-UHFFFAOYSA-N -1 2 383.813 2.515 20 0 GFADLM CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000055677166 551174598 /nfs/dbraw/zinc/17/45/98/551174598.db2.gz BPDKFCMWJDIKAT-UHFFFAOYSA-N -1 2 388.854 2.569 20 0 GFADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c(O)c1 ZINC000314733295 563439115 /nfs/dbraw/zinc/43/91/15/563439115.db2.gz NKUANDSLGFBJSU-UHFFFAOYSA-N -1 2 390.186 2.793 20 0 GFADLM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000392262347 563526274 /nfs/dbraw/zinc/52/62/74/563526274.db2.gz AMWKOUHMZRJNLR-UHFFFAOYSA-N -1 2 387.797 2.835 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c(C)c1C(=O)[O-] ZINC000436147049 563665139 /nfs/dbraw/zinc/66/51/39/563665139.db2.gz CIHOOEOVUGIFKR-UHFFFAOYSA-N -1 2 377.344 2.555 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000436168833 563666477 /nfs/dbraw/zinc/66/64/77/563666477.db2.gz GEKKKDJVWRRDSN-UHFFFAOYSA-N -1 2 375.449 2.712 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000436200539 563667933 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COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])s1 ZINC000567968410 564398628 /nfs/dbraw/zinc/39/86/28/564398628.db2.gz GXGXIUXNPICNGI-UHFFFAOYSA-N -1 2 389.838 2.616 20 0 GFADLM N#Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c(Cl)c1 ZINC000547615793 564503221 /nfs/dbraw/zinc/50/32/21/564503221.db2.gz UMTAVHSAUXDXIL-UHFFFAOYSA-N -1 2 381.753 2.619 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000548031217 564529252 /nfs/dbraw/zinc/52/92/52/564529252.db2.gz LERNDVHKVPWWBW-UHFFFAOYSA-N -1 2 375.449 2.712 20 0 GFADLM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)c1 ZINC000530135375 564865697 /nfs/dbraw/zinc/86/56/97/564865697.db2.gz UYZUPUFFMIXQQV-UHFFFAOYSA-N -1 2 377.344 2.555 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2cccnc2OCC(F)F)sc1C(=O)[O-] ZINC000498484274 564899505 /nfs/dbraw/zinc/89/95/05/564899505.db2.gz MPBKCGWQEBDOOS-UHFFFAOYSA-N -1 2 378.378 2.594 20 0 GFADLM O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cccc(Br)c1O ZINC000644693700 565490062 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2.890 20 0 GFADLM Cc1oc(C)c(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)c1C(=O)[O-] ZINC000738970328 600054287 /nfs/dbraw/zinc/05/42/87/600054287.db2.gz VGUNVQRGBOYBTA-UHFFFAOYSA-N -1 2 399.494 2.838 20 0 GFADLM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2nc(C)c(C)s2)c1OC ZINC000737874565 600054426 /nfs/dbraw/zinc/05/44/26/600054426.db2.gz WOVORIFZBJSTQE-WAYWQWQTSA-N -1 2 398.462 2.676 20 0 GFADLM Cc1nc(NS(=O)(=O)c2cccc(Br)c2)sc1C(=O)[O-] ZINC000738364073 600054653 /nfs/dbraw/zinc/05/46/53/600054653.db2.gz UCQKBMRNUDXEBN-UHFFFAOYSA-N -1 2 377.241 2.713 20 0 GFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2ccn(C)c2c1 ZINC000737719385 600243559 /nfs/dbraw/zinc/24/35/59/600243559.db2.gz YRRYHHPDGMYXTQ-UHFFFAOYSA-N -1 2 394.430 2.525 20 0 GFADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(Cl)cn2)c1 ZINC000740068530 600361214 /nfs/dbraw/zinc/36/12/14/600361214.db2.gz KMLAERXGAOSQNM-UHFFFAOYSA-N -1 2 391.630 2.997 20 0 GFADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000740280407 600473598 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CC(C)Oc1ccc(S(=O)(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833506447 605783251 /nfs/dbraw/zinc/78/32/51/605783251.db2.gz BYJOACBVMSZQCA-UHFFFAOYSA-N -1 2 375.406 2.849 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccc(O[C@H]3CCOC3)cc2)sc1C(=O)[O-] ZINC000265724845 655489252 /nfs/dbraw/zinc/48/92/52/655489252.db2.gz ONAPMJRZAWIESB-ZDUSSCGKSA-N -1 2 383.447 2.723 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793406683 658393346 /nfs/dbraw/zinc/39/33/46/658393346.db2.gz DLVIDTWDHIIFQH-UHFFFAOYSA-N -1 2 387.410 2.790 20 0 GFADLM COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(F)cc1Cl ZINC000794756449 658608573 /nfs/dbraw/zinc/60/85/73/658608573.db2.gz BGMXZEVXMVOXQG-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2cccc(-c3noc(C)n3)c2)sc1C(=O)[O-] ZINC000139817124 551392768 /nfs/dbraw/zinc/39/27/68/551392768.db2.gz GACQRYLOYGEVAA-UHFFFAOYSA-N -1 2 379.419 2.914 20 0 GFADLM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000237192496 553075526 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O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)c[nH]1 ZINC000509397105 564296925 /nfs/dbraw/zinc/29/69/25/564296925.db2.gz QNKVALWVSKATTG-UHFFFAOYSA-N -1 2 396.222 2.824 20 0 GFADLM CC(C)(C)n1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cn1 ZINC000476746795 564352953 /nfs/dbraw/zinc/35/29/53/564352953.db2.gz ZWWAPHGXJRYSFU-UHFFFAOYSA-N -1 2 387.845 2.556 20 0 GFADLM O=C([O-])C[C@@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000568002126 564399451 /nfs/dbraw/zinc/39/94/51/564399451.db2.gz RUQZQUBTRUXMLM-YFKPBYRVSA-N -1 2 381.706 2.550 20 0 GFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)cc1C(=O)[O-] ZINC000479240232 564432683 /nfs/dbraw/zinc/43/26/83/564432683.db2.gz JUVDCKBMYKYWHK-UHFFFAOYSA-N -1 2 397.762 2.900 20 0 GFADLM CC(=O)NCc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])s1 ZINC000547549813 564493648 /nfs/dbraw/zinc/49/36/48/564493648.db2.gz TVXNSYBKLCOTRB-UHFFFAOYSA-N -1 2 382.463 2.500 20 0 GFADLM Cc1ncc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C(=O)[O-])s1 ZINC000548526183 564555168 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GFADLM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(Br)c1O ZINC000592870937 565302547 /nfs/dbraw/zinc/30/25/47/565302547.db2.gz AYUIUKPCJSLAMG-UHFFFAOYSA-N -1 2 376.166 2.750 20 0 GFADLM CC(C)n1cc(NS(=O)(=O)c2ccc(Br)cc2C(=O)[O-])cn1 ZINC000736532259 600098742 /nfs/dbraw/zinc/09/87/42/600098742.db2.gz FISPOTKBKIHZSU-UHFFFAOYSA-N -1 2 388.243 2.726 20 0 GFADLM CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2[nH]c1=S ZINC000737295745 600193582 /nfs/dbraw/zinc/19/35/82/600193582.db2.gz PEIIZZYANQCVGJ-INIZCTEOSA-N -1 2 397.456 2.603 20 0 GFADLM CCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737030068 600231712 /nfs/dbraw/zinc/23/17/12/600231712.db2.gz PDMCHKHFMWGZCZ-UHFFFAOYSA-N -1 2 398.387 2.604 20 0 GFADLM CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736163071 600234818 /nfs/dbraw/zinc/23/48/18/600234818.db2.gz ZVEDBNLUQWYRJG-UHFFFAOYSA-N -1 2 384.360 2.731 20 0 GFADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2C)c1C(=O)[O-] ZINC000738968876 600254843 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CCc1cnc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000830299277 600985263 /nfs/dbraw/zinc/98/52/63/600985263.db2.gz NCLNWCMYNFSVIA-UHFFFAOYSA-N -1 2 391.268 2.967 20 0 GFADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000832853471 601502891 /nfs/dbraw/zinc/50/28/91/601502891.db2.gz YLRWQAPANFIVQS-UHFFFAOYSA-N -1 2 389.458 2.936 20 0 GFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000833345981 601767621 /nfs/dbraw/zinc/76/76/21/601767621.db2.gz IUBPTYWMMSPLND-UHFFFAOYSA-N -1 2 381.460 2.689 20 0 GFADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cccc3ncccc32)n1 ZINC000328137236 601770782 /nfs/dbraw/zinc/77/07/82/601770782.db2.gz KRDDOGZCOZMQSV-UHFFFAOYSA-N -1 2 377.447 2.899 20 0 GFADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cnc3ccsc3c2)n1 ZINC000833229897 601771497 /nfs/dbraw/zinc/77/14/97/601771497.db2.gz RBZBAKMYUUDLCF-UHFFFAOYSA-N -1 2 383.476 2.961 20 0 GFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000833345565 601836122 /nfs/dbraw/zinc/83/61/22/601836122.db2.gz 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CCOC(=O)c1sc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nc1C ZINC000829895062 601358757 /nfs/dbraw/zinc/35/87/57/601358757.db2.gz DAOXRKXGFSVDGO-UHFFFAOYSA-N -1 2 398.462 2.744 20 0 GFADLM Cn1cc(S(=O)(=O)Nc2cc(CCc3ccccc3)ccn2)cc1C(=O)[O-] ZINC000833055534 601365639 /nfs/dbraw/zinc/36/56/39/601365639.db2.gz QVYUUVKFYAQHSO-UHFFFAOYSA-N -1 2 385.445 2.704 20 0 GFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c1 ZINC000755986449 601491661 /nfs/dbraw/zinc/49/16/61/601491661.db2.gz SJSDKEDNOJQNGE-UHFFFAOYSA-N -1 2 379.344 2.650 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)ccc1F ZINC000833306288 601502771 /nfs/dbraw/zinc/50/27/71/601502771.db2.gz MUUUIBLKMHESSD-UHFFFAOYSA-N -1 2 393.421 2.767 20 0 GFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)c1 ZINC000833318121 601502959 /nfs/dbraw/zinc/50/29/59/601502959.db2.gz GJURNJBPRGOGIN-UHFFFAOYSA-N -1 2 393.421 2.767 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)cs1 ZINC000833306494 601503735 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Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)c1Cl ZINC000811709255 660014621 /nfs/dbraw/zinc/01/46/21/660014621.db2.gz YJDFGFHBVIQTGP-UHFFFAOYSA-N -1 2 382.781 2.994 20 0 GFADLM C[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000856417572 662032635 /nfs/dbraw/zinc/03/26/35/662032635.db2.gz ZOVAFAJZYZEPCO-HQJQHLMTSA-N -1 2 382.741 2.714 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c(Cl)c1 ZINC000130608747 551367224 /nfs/dbraw/zinc/36/72/24/551367224.db2.gz RVPWHSOGHGLOAP-UHFFFAOYSA-N -1 2 383.735 2.598 20 0 GFADLM C[NH+](C)Cc1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000193652660 552999108 /nfs/dbraw/zinc/99/91/08/552999108.db2.gz RJDWXZOTKCRCFA-UHFFFAOYSA-N -1 2 376.375 2.783 20 0 GFADLM COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c(I)c1 ZINC000237170604 553075662 /nfs/dbraw/zinc/07/56/62/553075662.db2.gz VJZQULKQFJNPEO-GFCCVEGCSA-N -1 2 391.205 2.529 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCCC3=O)c(Cl)c1 ZINC000371599602 563282260 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Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000681683059 566121486 /nfs/dbraw/zinc/12/14/86/566121486.db2.gz ZTMTWRJQGIXJLN-UHFFFAOYSA-N -1 2 379.772 2.609 20 0 GFADLM CC1(C)Cc2nc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)sc2C(=O)C1 ZINC000736725961 600051558 /nfs/dbraw/zinc/05/15/58/600051558.db2.gz DPZLXZJEXDWQHM-UHFFFAOYSA-N -1 2 380.447 2.797 20 0 GFADLM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000737689100 600472857 /nfs/dbraw/zinc/47/28/57/600472857.db2.gz SJYSTSYOQCVKTL-UHFFFAOYSA-N -1 2 398.443 2.643 20 0 GFADLM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc3ccsc3s2)c1 ZINC000737654127 600472902 /nfs/dbraw/zinc/47/29/02/600472902.db2.gz MAMFZTFGRSMDQZ-UHFFFAOYSA-N -1 2 398.443 2.643 20 0 GFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1 ZINC000739886697 600629542 /nfs/dbraw/zinc/62/95/42/600629542.db2.gz VMIAAVBRYQLJOL-UHFFFAOYSA-N -1 2 391.836 2.954 20 0 GFADLM COc1cc(F)c(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1OC ZINC000327488972 600637068 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GFADLM CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000364128660 563744059 /nfs/dbraw/zinc/74/40/59/563744059.db2.gz QQNKJTPSXDVHSD-VIFPVBQESA-N -1 2 389.736 2.721 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1C(=O)[O-] ZINC000444420246 563831273 /nfs/dbraw/zinc/83/12/73/563831273.db2.gz QNZHXBFCLCYFMG-UHFFFAOYSA-N -1 2 379.419 2.646 20 0 GFADLM CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Cc1ccc(Br)cc1O ZINC000507388338 564228263 /nfs/dbraw/zinc/22/82/63/564228263.db2.gz WMJGNTADHXFHJF-UHFFFAOYSA-N -1 2 378.270 2.889 20 0 GFADLM COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc2[nH]ccc21 ZINC000566876754 564347948 /nfs/dbraw/zinc/34/79/48/564347948.db2.gz OIXSTBXJBLTESP-UHFFFAOYSA-N -1 2 380.403 2.515 20 0 GFADLM CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000515631394 564484083 /nfs/dbraw/zinc/48/40/83/564484083.db2.gz YEENOITYXONHPB-UHFFFAOYSA-N -1 2 383.451 2.777 20 0 GFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(OC)cc1Cl ZINC000481437460 564512301 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COC(=O)c1csc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1C ZINC000611443694 566130125 /nfs/dbraw/zinc/13/01/25/566130125.db2.gz OVDCYVSZMFPDPL-UHFFFAOYSA-N -1 2 387.410 2.790 20 0 GFADLM CCCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)cc1 ZINC000737051666 599813105 /nfs/dbraw/zinc/81/31/05/599813105.db2.gz YGCJZMDBISTNIH-UHFFFAOYSA-N -1 2 383.447 2.986 20 0 GFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000737717889 599814969 /nfs/dbraw/zinc/81/49/69/599814969.db2.gz PBYRTNMPAFYCPV-UHFFFAOYSA-N -1 2 387.460 2.756 20 0 GFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 ZINC000738688144 600054557 /nfs/dbraw/zinc/05/45/57/600054557.db2.gz GTXQAMBLZQCFJP-UHFFFAOYSA-N -1 2 392.414 2.567 20 0 GFADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000738241332 600055822 /nfs/dbraw/zinc/05/58/22/600055822.db2.gz XHRCNRZQRBBRDM-UHFFFAOYSA-N -1 2 375.381 2.819 20 0 GFADLM COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000737696806 600230620 /nfs/dbraw/zinc/23/06/20/600230620.db2.gz KONGQQUIMIETME-UHFFFAOYSA-N -1 2 385.344 2.559 20 0 GFADLM Cc1noc(COc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000510153782 600412131 /nfs/dbraw/zinc/41/21/31/600412131.db2.gz YIYXFQNCXWSSAM-UHFFFAOYSA-N -1 2 395.418 2.518 20 0 GFADLM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000057178031 600482898 /nfs/dbraw/zinc/48/28/98/600482898.db2.gz WDPNJOSMIYYTTI-UHFFFAOYSA-N -1 2 386.769 2.756 20 0 GFADLM Cn1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)cc1C(=O)[O-] ZINC000833055677 600828502 /nfs/dbraw/zinc/82/85/02/600828502.db2.gz LYLZIKNSPQRABV-UHFFFAOYSA-N -1 2 395.437 2.711 20 0 GFADLM CC(C)n1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cn1 ZINC000827186435 600980841 /nfs/dbraw/zinc/98/08/41/600980841.db2.gz IHYKFDRWRPOKRV-UHFFFAOYSA-N -1 2 378.454 2.563 20 0 GFADLM CCc1cnc(NS(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)s1 ZINC000830299942 600985435 /nfs/dbraw/zinc/98/54/35/600985435.db2.gz ZDUDBNDGAGUYNO-AATRIKPKSA-N -1 2 398.462 2.621 20 0 GFADLM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2nc(C(C)C)cs2)c1 ZINC000831370830 601195950 /nfs/dbraw/zinc/19/59/50/601195950.db2.gz QNDXMTUGEVLLQA-UHFFFAOYSA-N -1 2 384.435 2.552 20 0 GFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000521313168 601203679 /nfs/dbraw/zinc/20/36/79/601203679.db2.gz NRJSYVVVRPUIJR-LSDHHAIUSA-N -1 2 397.474 2.929 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)s1 ZINC000833323572 601204251 /nfs/dbraw/zinc/20/42/51/601204251.db2.gz OIIZPEVFVFLXOE-KBPBESRZSA-N -1 2 397.474 2.929 20 0 GFADLM COCCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000751142520 601234851 /nfs/dbraw/zinc/23/48/51/601234851.db2.gz MEEVRRMKRFSVOG-UHFFFAOYSA-N -1 2 383.397 2.740 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)ccc1F ZINC000048382975 601325424 /nfs/dbraw/zinc/32/54/24/601325424.db2.gz AIDMNFPICWOIQV-UHFFFAOYSA-N -1 2 375.381 2.570 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)c(F)cc1F ZINC000833304102 601361939 /nfs/dbraw/zinc/36/19/39/601361939.db2.gz QHPXMCSIMPBBBN-UHFFFAOYSA-N -1 2 379.344 2.854 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)cs1 ZINC000833306102 601503884 /nfs/dbraw/zinc/50/38/84/601503884.db2.gz DPNZTCKCCKCMDH-UHFFFAOYSA-N -1 2 399.450 2.829 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)s1 ZINC000833324777 601504389 /nfs/dbraw/zinc/50/43/89/601504389.db2.gz ZUCUOVXSONHAEU-UHFFFAOYSA-N -1 2 399.450 2.829 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)cc1C(=O)[O-] ZINC000485879974 601604156 /nfs/dbraw/zinc/60/41/56/601604156.db2.gz GYDZZOHAYVIXKJ-UHFFFAOYSA-N -1 2 387.417 2.893 20 0 GFADLM COc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1OC1CCCC1 ZINC000832419545 601834562 /nfs/dbraw/zinc/83/45/62/601834562.db2.gz LQKLEFKLDXNMDM-UHFFFAOYSA-N -1 2 398.462 2.972 20 0 GFADLM COC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000760364932 602115208 /nfs/dbraw/zinc/11/52/08/602115208.db2.gz POXITFHGZCRIBB-UHFFFAOYSA-N -1 2 375.811 2.687 20 0 GFADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000833317824 602307312 /nfs/dbraw/zinc/30/73/12/602307312.db2.gz JWJHSCDEJVSLCH-UHFFFAOYSA-N -1 2 396.837 2.753 20 0 GFADLM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc(F)cc3Cl)cc2C1 ZINC000834119126 605878096 /nfs/dbraw/zinc/87/80/96/605878096.db2.gz BQGJAPLJEADAKW-UHFFFAOYSA-N -1 2 385.804 2.711 20 0 GFADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000833922630 606077705 /nfs/dbraw/zinc/07/77/05/606077705.db2.gz QCUJHGSGZVBVNM-UHFFFAOYSA-N -1 2 392.481 2.997 20 0 GFADLM Cc1sc(NC(=O)C[N@@H+]2CCS[C@H](C(C)C)C2)c(-c2nn[nH]n2)c1C ZINC000822563459 606116035 /nfs/dbraw/zinc/11/60/35/606116035.db2.gz JYNBHFHTGHZHIM-LBPRGKRZSA-N -1 2 380.543 2.557 20 0 GFADLM COC(=O)c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000055573002 654777610 /nfs/dbraw/zinc/77/76/10/654777610.db2.gz MJBGTLMLWQEKRN-UHFFFAOYSA-N -1 2 381.431 2.522 20 0 GFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cnc1Br ZINC000181177039 655333433 /nfs/dbraw/zinc/33/34/33/655333433.db2.gz JYGFWULIIFTREH-UHFFFAOYSA-N -1 2 377.241 2.713 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000780406852 657004243 /nfs/dbraw/zinc/00/42/43/657004243.db2.gz ZQURGCXMRHDQLG-UHFFFAOYSA-N -1 2 387.410 2.790 20 0 GFADLM COc1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1C(=O)[O-] ZINC000788490143 657729538 /nfs/dbraw/zinc/72/95/38/657729538.db2.gz XHEMLKCDJWCZIW-UHFFFAOYSA-N -1 2 377.205 2.896 20 0 GFADLM COc1cc(Cl)c(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1C(=O)[O-] ZINC000790390078 657967179 /nfs/dbraw/zinc/96/71/79/657967179.db2.gz ATHFHXHSPMLRFB-UHFFFAOYSA-N -1 2 387.845 2.799 20 0 GFADLM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000852736336 661873000 /nfs/dbraw/zinc/87/30/00/661873000.db2.gz LUOROPRBDXLPAB-NWDGAFQWSA-N -1 2 382.741 2.575 20 0 GFADLM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1c(F)cccc1Cl ZINC000852736336 661873001 /nfs/dbraw/zinc/87/30/01/661873001.db2.gz LUOROPRBDXLPAB-NWDGAFQWSA-N -1 2 382.741 2.575 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)sc1C(=O)[O-] ZINC000045774841 551147972 /nfs/dbraw/zinc/14/79/72/551147972.db2.gz FQNQLTKNGYLLGY-UHFFFAOYSA-N -1 2 380.447 2.682 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)sc1C(=O)[O-] ZINC000055644893 551174019 /nfs/dbraw/zinc/17/40/19/551174019.db2.gz QPVNZRMGROKUOK-UHFFFAOYSA-N -1 2 381.410 2.880 20 0 GFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1C ZINC000118301560 551214712 /nfs/dbraw/zinc/21/47/12/551214712.db2.gz XDRMGNGQCJIPIM-UHFFFAOYSA-N -1 2 377.344 2.561 20 0 GFADLM COc1cc(Cl)c(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000280923621 563360945 /nfs/dbraw/zinc/36/09/45/563360945.db2.gz HNPBCKBPBUEUCC-UHFFFAOYSA-N -1 2 387.845 2.705 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)sc1C(=O)[O-] ZINC000298871802 563369735 /nfs/dbraw/zinc/36/97/35/563369735.db2.gz UKNNEQJHGINGJF-UHFFFAOYSA-N -1 2 380.447 2.904 20 0 GFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000326129241 563454243 /nfs/dbraw/zinc/45/42/43/563454243.db2.gz PWEJSHAEDSIUPY-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccccc2-c2noc(C)n2)sc1C(=O)[O-] ZINC000363374149 563721618 /nfs/dbraw/zinc/72/16/18/563721618.db2.gz NQZQHODMGUHHJN-UHFFFAOYSA-N -1 2 379.419 2.914 20 0 GFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000442821458 563780538 /nfs/dbraw/zinc/78/05/38/563780538.db2.gz DUEZDIYNSCCEOK-UHFFFAOYSA-N -1 2 383.447 2.959 20 0 GFADLM COC(=O)Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000547544207 564492612 /nfs/dbraw/zinc/49/26/12/564492612.db2.gz HFINJDDBOLALPD-UHFFFAOYSA-N -1 2 383.447 2.579 20 0 GFADLM O=C([O-])C[C@H]1CCCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000571984181 564575352 /nfs/dbraw/zinc/57/53/52/564575352.db2.gz GHYVSOANLUACSY-SNVBAGLBSA-N -1 2 380.857 2.999 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)sc1C(=O)[O-] ZINC000572373443 564592385 /nfs/dbraw/zinc/59/23/85/564592385.db2.gz NASPXFFPHTZMLJ-LBPRGKRZSA-N -1 2 380.447 2.507 20 0 GFADLM Cc1noc(C)c1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000485006330 564604064 /nfs/dbraw/zinc/60/40/64/564604064.db2.gz SIKSBQOXUGDJNJ-UHFFFAOYSA-N -1 2 393.190 2.692 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2O)c(OC(F)(F)F)c1 ZINC000486098540 564638568 /nfs/dbraw/zinc/63/85/68/564638568.db2.gz HYFYJVGHTKFBDG-UHFFFAOYSA-N -1 2 377.296 2.790 20 0 GFADLM C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C[C@H]1C(=O)[O-] ZINC000575749460 564702960 /nfs/dbraw/zinc/70/29/60/564702960.db2.gz SQWWBHMVFKJWRN-MWLCHTKSSA-N -1 2 380.857 2.855 20 0 GFADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000530135548 564865043 /nfs/dbraw/zinc/86/50/43/564865043.db2.gz WKIBCXBYRJTHKX-UHFFFAOYSA-N -1 2 377.344 2.500 20 0 GFADLM Cc1noc(C)c1S(=O)(=O)Nc1c(C)ccc(Br)c1C(=O)[O-] ZINC000463365669 564877150 /nfs/dbraw/zinc/87/71/50/564877150.db2.gz FMUNMXPIPZGMKP-UHFFFAOYSA-N -1 2 389.227 2.861 20 0 GFADLM COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000533169879 564956414 /nfs/dbraw/zinc/95/64/14/564956414.db2.gz JAWWKCRPVHHYCZ-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM COC(=O)c1csc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000501805282 564986447 /nfs/dbraw/zinc/98/64/47/564986447.db2.gz WQQWXHOJUMMGRJ-UHFFFAOYSA-N -1 2 375.811 2.687 20 0 GFADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c(OC)c1OC ZINC000591684061 565236383 /nfs/dbraw/zinc/23/63/83/565236383.db2.gz HRKWZEFFMDFLDA-UHFFFAOYSA-N -1 2 387.435 2.581 20 0 GFADLM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000619467487 565342063 /nfs/dbraw/zinc/34/20/63/565342063.db2.gz JSPCJOWQQQCISF-UHFFFAOYSA-N -1 2 386.813 2.571 20 0 GFADLM CCOc1cc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)cc(Cl)c1O ZINC000629097032 565823410 /nfs/dbraw/zinc/82/34/10/565823410.db2.gz CRQVDPNYSKAPDY-UHFFFAOYSA-N -1 2 383.857 2.864 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)sc1C(=O)[O-] ZINC000629330196 565843931 /nfs/dbraw/zinc/84/39/31/565843931.db2.gz QYRCLLVNZGLYIS-NSHDSACASA-N -1 2 380.447 2.507 20 0 GFADLM COCCOc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1sc(C)cc1C ZINC000629340252 565846152 /nfs/dbraw/zinc/84/61/52/565846152.db2.gz LLLGNHDSMAOITP-UHFFFAOYSA-N -1 2 385.463 2.889 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000738069538 600102558 /nfs/dbraw/zinc/10/25/58/600102558.db2.gz IKYROVJMJJFQKK-UHFFFAOYSA-N -1 2 379.419 2.507 20 0 GFADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738753605 600244527 /nfs/dbraw/zinc/24/45/27/600244527.db2.gz CIFDKCITGXDYEL-UHFFFAOYSA-N -1 2 393.371 2.958 20 0 GFADLM CCCn1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000829585054 600686784 /nfs/dbraw/zinc/68/67/84/600686784.db2.gz CJIKZAQAUQGZHC-UHFFFAOYSA-N -1 2 377.344 2.811 20 0 GFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cnc(Cl)c(C)c2)c1OC ZINC000737858006 600900070 /nfs/dbraw/zinc/90/00/70/600900070.db2.gz JSLKIZBLUYPHIM-UHFFFAOYSA-N -1 2 386.813 2.560 20 0 GFADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000737695855 600900179 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GFADLM COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c(Cl)cc1F ZINC000831348341 602117044 /nfs/dbraw/zinc/11/70/44/602117044.db2.gz DCXFCAXJROHIOW-UHFFFAOYSA-N -1 2 393.801 2.826 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1Br ZINC000832956725 602155605 /nfs/dbraw/zinc/15/56/05/602155605.db2.gz YCDGMVBKFWQHGB-UHFFFAOYSA-N -1 2 377.241 2.713 20 0 GFADLM Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000832983401 602159543 /nfs/dbraw/zinc/15/95/43/602159543.db2.gz UVWGDPXPSFBYHK-UHFFFAOYSA-N -1 2 392.824 2.728 20 0 GFADLM Cn1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(-c2ccccn2)n1 ZINC000833049915 602307719 /nfs/dbraw/zinc/30/77/19/602307719.db2.gz AUWKXLGLXMSGRK-UHFFFAOYSA-N -1 2 392.824 2.635 20 0 GFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000474299144 602320511 /nfs/dbraw/zinc/32/05/11/602320511.db2.gz XETQCSNVBIUSGS-UHFFFAOYSA-N -1 2 387.360 2.838 20 0 GFADLM CCn1c(=O)c2ccc(C(=O)Oc3cccc(CNC(=O)[O-])c3)cc2[nH]c1=S ZINC000739565735 602566500 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Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)c1F ZINC000749145056 655800937 /nfs/dbraw/zinc/80/09/37/655800937.db2.gz ICVSPUHEYYFLKX-DEOSSOPVSA-N -1 2 385.438 2.512 20 0 GFADLM COCCO[N-]C(=O)C1=NN(c2cc(Cl)c(Cl)cc2Cl)CC1=O ZINC000752820623 655847084 /nfs/dbraw/zinc/84/70/84/655847084.db2.gz MTCRLUCLYPWZNU-UHFFFAOYSA-N -1 2 380.615 2.846 20 0 GFADLM Cc1cc(F)c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)cc1C(=O)[O-] ZINC000762453433 656042796 /nfs/dbraw/zinc/04/27/96/656042796.db2.gz MSSWCWPXKDDQLL-DEOSSOPVSA-N -1 2 385.438 2.512 20 0 GFADLM Cc1cccc(O)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000776748038 656791516 /nfs/dbraw/zinc/79/15/16/656791516.db2.gz SSJSKJZWXXQXOA-UHFFFAOYSA-N -1 2 386.223 2.962 20 0 GFADLM Cc1onc(OC(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000788132791 657655991 /nfs/dbraw/zinc/65/59/91/657655991.db2.gz UDLRQDGGMAIOAW-UHFFFAOYSA-N -1 2 376.337 2.700 20 0 GFADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186990492 552403763 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CC(C)n1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cn1 ZINC000564622886 564242031 /nfs/dbraw/zinc/24/20/31/564242031.db2.gz FIMKRUNSXRSVGM-UHFFFAOYSA-N -1 2 388.243 2.726 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)sc1Cl ZINC000473443457 564246748 /nfs/dbraw/zinc/24/67/48/564246748.db2.gz MMIKTEXHZKVXFX-UHFFFAOYSA-N -1 2 389.838 2.980 20 0 GFADLM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc(Br)cn2)cc1F ZINC000547933681 564522643 /nfs/dbraw/zinc/52/26/43/564522643.db2.gz ZYKAVQZTQXXDID-UHFFFAOYSA-N -1 2 389.202 2.791 20 0 GFADLM CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000520628713 564609551 /nfs/dbraw/zinc/60/95/51/564609551.db2.gz XNGIYXBIRQEZJA-UHFFFAOYSA-N -1 2 386.788 2.937 20 0 GFADLM COc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)c(C(=O)[O-])cc1OC ZINC000556351360 564820664 /nfs/dbraw/zinc/82/06/64/564820664.db2.gz WTLIBTOZAMJQIN-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM CCc1ccc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)cc1C(=O)[O-] ZINC000463433782 564881803 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GFADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(C)c(F)c3)nc2n1 ZINC000738346611 600102322 /nfs/dbraw/zinc/10/23/22/600102322.db2.gz ZDXVTHIGYCGUCO-UHFFFAOYSA-N -1 2 381.410 2.946 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cn2)c(Br)cc1F ZINC000740089212 600104261 /nfs/dbraw/zinc/10/42/61/600104261.db2.gz AWUDOKTUEOSEKL-UHFFFAOYSA-N -1 2 393.165 2.621 20 0 GFADLM CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2[nH]c1=S ZINC000737295753 600193485 /nfs/dbraw/zinc/19/34/85/600193485.db2.gz PEIIZZYANQCVGJ-MRXNPFEDSA-N -1 2 397.456 2.603 20 0 GFADLM Cc1cnn(-c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)cc2F)c1 ZINC000738810652 600636589 /nfs/dbraw/zinc/63/65/89/600636589.db2.gz YWGURLXKEVWZAX-UHFFFAOYSA-N -1 2 381.410 2.880 20 0 GFADLM Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1OCCC(C)C ZINC000832950495 600684311 /nfs/dbraw/zinc/68/43/11/600684311.db2.gz LKXRZIOMCIFJSL-UHFFFAOYSA-N -1 2 381.454 2.502 20 0 GFADLM Cc1ccc(N2CCOC2=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000745979638 600691100 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GFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000833267596 602306637 /nfs/dbraw/zinc/30/66/37/602306637.db2.gz LFTJHAVZOVAWMQ-UHFFFAOYSA-N -1 2 375.431 2.633 20 0 GFADLM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000739925788 602653207 /nfs/dbraw/zinc/65/32/07/602653207.db2.gz VAWRJCWNMNNVSQ-UHFFFAOYSA-N -1 2 379.394 2.544 20 0 GFADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740246784 603151669 /nfs/dbraw/zinc/15/16/69/603151669.db2.gz RAZKXHOZSWSDNF-UHFFFAOYSA-N -1 2 392.359 2.946 20 0 GFADLM Cc1nn2cc(S(=O)(=O)Nc3ccc(NC(=O)[O-])cc3)cnc2c1Cl ZINC000833922017 605332665 /nfs/dbraw/zinc/33/26/65/605332665.db2.gz NADAZCZZVNWWAR-UHFFFAOYSA-N -1 2 381.801 2.582 20 0 GFADLM CS(C)(=O)=NS(=O)(=O)Nc1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000821173686 660317944 /nfs/dbraw/zinc/31/79/44/660317944.db2.gz UYDXSSXTJXALAL-UHFFFAOYSA-N -1 2 384.435 2.561 20 0 GFADLM COc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)c(C(=O)[O-])cc1OC ZINC000013263168 654503627 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O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1F)OCCO2 ZINC000013090240 551108410 /nfs/dbraw/zinc/10/84/10/551108410.db2.gz LBKXWDZZABSEGB-UHFFFAOYSA-N -1 2 387.772 2.749 20 0 GFADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(F)(F)F ZINC000436162249 563665702 /nfs/dbraw/zinc/66/57/02/563665702.db2.gz QYUHDXAPIVJTSX-UHFFFAOYSA-N -1 2 377.344 2.500 20 0 GFADLM CCc1oncc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000509383899 564295395 /nfs/dbraw/zinc/29/53/95/564295395.db2.gz JRRWIVVCKASODB-UHFFFAOYSA-N -1 2 393.190 2.638 20 0 GFADLM CCc1oncc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000509391713 564295486 /nfs/dbraw/zinc/29/54/86/564295486.db2.gz LBPKAJMWPNZUAO-UHFFFAOYSA-N -1 2 380.300 2.635 20 0 GFADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc(Br)cn3)ccc12 ZINC000547553148 564493561 /nfs/dbraw/zinc/49/35/61/564493561.db2.gz CEWVKFUTAMUSDD-UHFFFAOYSA-N -1 2 396.222 2.824 20 0 GFADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000533166368 564956429 /nfs/dbraw/zinc/95/64/29/564956429.db2.gz 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COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000542004863 564298298 /nfs/dbraw/zinc/29/82/98/564298298.db2.gz BJPWEGGCWRAICY-UHFFFAOYSA-N -1 2 376.312 2.608 20 0 GFADLM O=C([O-])C[C@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000568002125 564399380 /nfs/dbraw/zinc/39/93/80/564399380.db2.gz RUQZQUBTRUXMLM-RXMQYKEDSA-N -1 2 381.706 2.550 20 0 GFADLM O=S(=O)(NCC[NH2+]Cc1cccc2[nH+]ccn21)c1cccc(Cl)c1Cl ZINC000512869489 564414650 /nfs/dbraw/zinc/41/46/50/564414650.db2.gz SWONRNUFGWYFRJ-UHFFFAOYSA-N -1 2 399.303 2.709 20 0 GFADLM COC[C@H](C)n1ccc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)n1 ZINC000479230570 564432909 /nfs/dbraw/zinc/43/29/09/564432909.db2.gz FLPNDFURSFNYQY-VIFPVBQESA-N -1 2 387.845 2.551 20 0 GFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000479571549 564443421 /nfs/dbraw/zinc/44/34/21/564443421.db2.gz ZXIMLMCEIXEGQY-UHFFFAOYSA-N -1 2 381.797 2.926 20 0 GFADLM Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)cc1C(=O)[O-] ZINC000546540082 564458103 /nfs/dbraw/zinc/45/81/03/564458103.db2.gz FLRSQAVIQZQLIZ-UHFFFAOYSA-N -1 2 380.756 2.779 20 0 GFADLM COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000547866002 564514071 /nfs/dbraw/zinc/51/40/71/564514071.db2.gz HMRMEAHSOYRKQR-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548241740 564541541 /nfs/dbraw/zinc/54/15/41/564541541.db2.gz DQPUASSRKVOHTA-LHLIQPBNSA-N -1 2 394.198 2.859 20 0 GFADLM O=C([O-])Cc1cccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)c1 ZINC000583210534 564881354 /nfs/dbraw/zinc/88/13/54/564881354.db2.gz BGHURJYTTUWLPX-UHFFFAOYSA-N -1 2 375.431 2.633 20 0 GFADLM Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000498008187 564885206 /nfs/dbraw/zinc/88/52/06/564885206.db2.gz SNIJIKAPPKNBEA-UHFFFAOYSA-N -1 2 386.223 2.962 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)sc1Cl ZINC000530540830 564887396 /nfs/dbraw/zinc/88/73/96/564887396.db2.gz FZXNYRUZZPXAEY-UHFFFAOYSA-N -1 2 389.838 2.980 20 0 GFADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2cnn(C(F)F)c2)c1 ZINC000463794621 564890620 /nfs/dbraw/zinc/89/06/20/564890620.db2.gz ADDQONAEIDHYHK-UHFFFAOYSA-N -1 2 396.169 2.540 20 0 GFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000737717709 599814476 /nfs/dbraw/zinc/81/44/76/599814476.db2.gz NWBZOUVFKLRCFF-UHFFFAOYSA-N -1 2 375.811 2.687 20 0 GFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccnn1Cc1ccccc1F ZINC000740145423 599998592 /nfs/dbraw/zinc/99/85/92/599998592.db2.gz RKVLGCFTHNDQMZ-UHFFFAOYSA-N -1 2 393.371 2.709 20 0 GFADLM Cc1cccc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)c1C(=O)[O-] ZINC000738743369 600055279 /nfs/dbraw/zinc/05/52/79/600055279.db2.gz DLUNFEBKPGUDKA-UHFFFAOYSA-N -1 2 385.445 2.933 20 0 GFADLM CC(=O)c1cccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000736197211 600101767 /nfs/dbraw/zinc/10/17/67/600101767.db2.gz SIAUUVHBLQFDFP-UHFFFAOYSA-N -1 2 391.430 2.701 20 0 GFADLM COC(=O)CCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000737596781 600489291 /nfs/dbraw/zinc/48/92/91/600489291.db2.gz VHQKJFMXWADFFQ-UHFFFAOYSA-N -1 2 399.446 2.579 20 0 GFADLM Cc1ccc(Nc2ccccc2NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000738636539 600673959 /nfs/dbraw/zinc/67/39/59/600673959.db2.gz PYJOBKWIXODOOE-UHFFFAOYSA-N -1 2 386.433 2.821 20 0 GFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000521313164 601203376 /nfs/dbraw/zinc/20/33/76/601203376.db2.gz NRJSYVVVRPUIJR-CABCVRRESA-N -1 2 397.474 2.929 20 0 GFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000046303845 601322935 /nfs/dbraw/zinc/32/29/35/601322935.db2.gz QOZTVAVAMWITRQ-UHFFFAOYSA-N -1 2 390.421 2.520 20 0 GFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000462106712 601332610 /nfs/dbraw/zinc/33/26/10/601332610.db2.gz YPQTYIDIDMCXMG-UHFFFAOYSA-N -1 2 391.323 2.919 20 0 GFADLM COC(=O)c1sc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)nc1C(C)(C)C ZINC000831479197 601362942 /nfs/dbraw/zinc/36/29/42/601362942.db2.gz KCLAAZWOAGAXRY-UHFFFAOYSA-N -1 2 398.462 2.726 20 0 GFADLM O=C([O-])C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1cccs1 ZINC000833200094 601387257 /nfs/dbraw/zinc/38/72/57/601387257.db2.gz INKLAMRKXQTPDW-LBPRGKRZSA-N -1 2 375.381 2.724 20 0 GFADLM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1O ZINC000754825589 601604971 /nfs/dbraw/zinc/60/49/71/601604971.db2.gz BDQZXNXZPIUTRF-UHFFFAOYSA-N -1 2 386.223 2.962 20 0 GFADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)=N1 ZINC000832890105 601741033 /nfs/dbraw/zinc/74/10/33/601741033.db2.gz OPZKEQIDCRHSEZ-MRXNPFEDSA-N -1 2 387.342 2.720 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)ccc1Cl ZINC000118301408 601829621 /nfs/dbraw/zinc/82/96/21/601829621.db2.gz PKBFZVWLZUJURN-UHFFFAOYSA-N -1 2 383.735 2.598 20 0 GFADLM CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3scc(C(=O)[O-])c3C)cc21 ZINC000833393522 605125753 /nfs/dbraw/zinc/12/57/53/605125753.db2.gz MNFUALDQBVZZMX-UHFFFAOYSA-N -1 2 394.474 2.855 20 0 GFADLM O=C([O-])N[C@@H]1CCc2ncc(NS(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000834194439 606080154 /nfs/dbraw/zinc/08/01/54/606080154.db2.gz RQEWLTOMAUWNHS-SECBINFHSA-N -1 2 387.870 2.722 20 0 GFADLM O=C([O-])c1cccc(NS(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC000044318195 654655990 /nfs/dbraw/zinc/65/59/90/654655990.db2.gz OIFQDOZLGJXSHD-UHFFFAOYSA-N -1 2 391.630 2.997 20 0 GFADLM COc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1F ZINC000749144274 655800961 /nfs/dbraw/zinc/80/09/61/655800961.db2.gz VSYBDZDYVUFRNX-UHFFFAOYSA-N -1 2 375.324 2.920 20 0 GFADLM Cc1cc(F)c(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)cc1C(=O)[O-] ZINC000762453434 656042782 /nfs/dbraw/zinc/04/27/82/656042782.db2.gz MSSWCWPXKDDQLL-XMMPIXPASA-N -1 2 385.438 2.512 20 0 GFADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(O)c1 ZINC000785491112 657368997 /nfs/dbraw/zinc/36/89/97/657368997.db2.gz MCYIFSOMHRNACQ-UHFFFAOYSA-N -1 2 375.761 2.692 20 0 GFADLM CC(C)Cc1ncc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000794595329 658574213 /nfs/dbraw/zinc/57/42/13/658574213.db2.gz WVGAXIANDHEKRH-UHFFFAOYSA-N -1 2 387.820 2.967 20 0 GFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000298291392 563350303 /nfs/dbraw/zinc/35/03/03/563350303.db2.gz FQIDUVCZBCUFJD-CQSZACIVSA-N -1 2 383.447 2.805 20 0 GFADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000298836448 563368257 /nfs/dbraw/zinc/36/82/57/563368257.db2.gz CYGDISOZZNRTKM-CQSZACIVSA-N -1 2 383.447 2.805 20 0 GFADLM Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000320630098 563447163 /nfs/dbraw/zinc/44/71/63/563447163.db2.gz BOJUEWZWWLYQEB-UHFFFAOYSA-N -1 2 388.243 2.596 20 0 GFADLM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000327393107 563457946 /nfs/dbraw/zinc/45/79/46/563457946.db2.gz JFNMWUSOIFIIQB-UHFFFAOYSA-N -1 2 387.797 2.835 20 0 GFADLM COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000327468538 563458676 /nfs/dbraw/zinc/45/86/76/563458676.db2.gz YRAQQVPOHWYQRE-UHFFFAOYSA-N -1 2 384.435 2.523 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)(F)F)cn1 ZINC000507903252 564247400 /nfs/dbraw/zinc/24/74/00/564247400.db2.gz PWKDYYDMDBIZES-UHFFFAOYSA-N -1 2 376.312 2.788 20 0 GFADLM Cc1cc(Br)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000486104159 564639170 /nfs/dbraw/zinc/63/91/70/564639170.db2.gz ARDCAQHXEPLTMR-UHFFFAOYSA-N -1 2 386.223 2.962 20 0 GFADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000463792066 564891035 /nfs/dbraw/zinc/89/10/35/564891035.db2.gz XXBOARKWJZXLHQ-UHFFFAOYSA-N -1 2 386.813 2.778 20 0 GFADLM O=S(=O)(CCOCC1CC1)[N-]c1cc(Br)cc(Cl)c1O ZINC000584047525 564917846 /nfs/dbraw/zinc/91/78/46/564917846.db2.gz LUOBJKZQYHSQRV-UHFFFAOYSA-N -1 2 384.679 2.976 20 0 GFADLM O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccc(Br)c1O ZINC000644693701 565489844 /nfs/dbraw/zinc/48/98/44/565489844.db2.gz CMDHRHHGFRYVOZ-CQSZACIVSA-N -1 2 391.265 2.974 20 0 GFADLM COc1ccc([C@H](NS(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)cc1 ZINC000645988394 565580604 /nfs/dbraw/zinc/58/06/04/565580604.db2.gz AWRDZOSQCPYUMR-AWEZNQCLSA-N -1 2 383.388 2.863 20 0 GFADLM CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000673488011 565837894 /nfs/dbraw/zinc/83/78/94/565837894.db2.gz SODVGKCDVGEYEZ-UHFFFAOYSA-N -1 2 382.463 2.647 20 0 GFADLM COc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)c(Cl)cc1C(=O)[O-] ZINC000675549914 565909296 /nfs/dbraw/zinc/90/92/96/565909296.db2.gz XBAVEUKNGWNHID-UHFFFAOYSA-N -1 2 387.845 2.868 20 0 GFADLM Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000738969634 599801848 /nfs/dbraw/zinc/80/18/48/599801848.db2.gz NTXHODYUCNOKCC-UHFFFAOYSA-N -1 2 391.405 2.595 20 0 GFADLM Cc1nn(C)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1C ZINC000738919355 600126958 /nfs/dbraw/zinc/12/69/58/600126958.db2.gz VVQCBPQFVDAGRR-UHFFFAOYSA-N -1 2 377.344 2.555 20 0 GFADLM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])c(F)cc1F ZINC000732046985 600231688 /nfs/dbraw/zinc/23/16/88/600231688.db2.gz UKKSBNDUENVCRU-UHFFFAOYSA-N -1 2 385.344 2.559 20 0 GFADLM O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]c3ncccc32)c(OC(F)F)c1 ZINC000740155784 600237766 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O=C([O-])c1nscc1S(=O)(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000833345876 601767868 /nfs/dbraw/zinc/76/78/68/601767868.db2.gz HJXYNWXHNCMHJZ-UHFFFAOYSA-N -1 2 399.450 2.829 20 0 GFADLM Cc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)sc1C(=O)[O-] ZINC000832899011 601832573 /nfs/dbraw/zinc/83/25/73/601832573.db2.gz APAAVJHRXKPOOX-UHFFFAOYSA-N -1 2 380.447 2.785 20 0 GFADLM Cc1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])n(Cc2ccccc2)n1 ZINC000832899952 601847597 /nfs/dbraw/zinc/84/75/97/601847597.db2.gz WAUQOMWDYTWZJS-UHFFFAOYSA-N -1 2 389.408 2.878 20 0 GFADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)c1 ZINC000833297672 602307412 /nfs/dbraw/zinc/30/74/12/602307412.db2.gz RCOOULDDYKVCDN-UHFFFAOYSA-N -1 2 396.837 2.753 20 0 GFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(CCc2ccccc2)n[nH]1 ZINC000833318200 602308606 /nfs/dbraw/zinc/30/86/06/602308606.db2.gz JDVUCQKVYOINIM-UHFFFAOYSA-N -1 2 389.408 2.833 20 0 GFADLM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1 ZINC000833239525 602308773 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GFADLM CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000432628784 563589138 /nfs/dbraw/zinc/58/91/38/563589138.db2.gz AVLYKIHQKOQOTC-UHFFFAOYSA-N -1 2 383.451 2.697 20 0 GFADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000471953325 564208279 /nfs/dbraw/zinc/20/82/79/564208279.db2.gz JQUUNLRCWNSHJR-UHFFFAOYSA-N -1 2 389.788 2.621 20 0 GFADLM CC(C)Oc1ncc(Cl)cc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000451096405 564273704 /nfs/dbraw/zinc/27/37/04/564273704.db2.gz NUSKNKFVMXYCIM-UHFFFAOYSA-N -1 2 384.841 2.950 20 0 GFADLM O=S(=O)(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1c[nH]cn1 ZINC000544104710 564375166 /nfs/dbraw/zinc/37/51/66/564375166.db2.gz LFVBADNFLXTCEO-UHFFFAOYSA-N -1 2 389.308 2.659 20 0 GFADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000479205706 564431019 /nfs/dbraw/zinc/43/10/19/564431019.db2.gz NTBDHDWVUHJARG-UHFFFAOYSA-N -1 2 382.266 2.878 20 0 GFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1C(=O)[O-] ZINC000479239049 564432714 /nfs/dbraw/zinc/43/27/14/564432714.db2.gz XGHSIOPNPWKYAL-UHFFFAOYSA-N -1 2 379.772 2.609 20 0 GFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)c1 ZINC000545827128 564433495 /nfs/dbraw/zinc/43/34/95/564433495.db2.gz FTPRVYUUUIXYHL-DEOSSOPVSA-N -1 2 385.438 2.512 20 0 GFADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000479263021 564433787 /nfs/dbraw/zinc/43/37/87/564433787.db2.gz XGULMKJVEXBBPL-UHFFFAOYSA-N -1 2 397.762 2.906 20 0 GFADLM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000548521454 564555564 /nfs/dbraw/zinc/55/55/64/564555564.db2.gz OJEVHCXRNRQXBS-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM COc1cc(NS(=O)(=O)c2cnc(C)s2)c(C(=O)[O-])cc1OC(F)F ZINC000484564245 564591203 /nfs/dbraw/zinc/59/12/03/564591203.db2.gz JLLAZSVLFVFUNK-UHFFFAOYSA-N -1 2 394.377 2.561 20 0 GFADLM COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000551470326 564651041 /nfs/dbraw/zinc/65/10/41/564651041.db2.gz OEVFPNFEZHUUQB-UHFFFAOYSA-N -1 2 383.809 2.934 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2-n2cnnc2)sc1Cl ZINC000530488778 564884824 /nfs/dbraw/zinc/88/48/24/564884824.db2.gz SPWZKTFTILDRPA-UHFFFAOYSA-N -1 2 398.853 2.790 20 0 GFADLM CC[S@](=O)c1ccccc1C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000560735965 564973678 /nfs/dbraw/zinc/97/36/78/564973678.db2.gz WUVQSWBKOGGKAQ-DEOSSOPVSA-N -1 2 381.475 2.566 20 0 GFADLM Cc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Br)c1C ZINC000536080726 565028614 /nfs/dbraw/zinc/02/86/14/565028614.db2.gz URWODHDAPFYWHH-UHFFFAOYSA-N -1 2 375.200 2.553 20 0 GFADLM CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000589433532 565162466 /nfs/dbraw/zinc/16/24/66/565162466.db2.gz ANKBIRJJRPHQIJ-UHFFFAOYSA-N -1 2 389.842 2.562 20 0 GFADLM O=S(=O)(CCOCC1CC1)[N-]c1cc(Cl)cc(Br)c1O ZINC000643623655 565436892 /nfs/dbraw/zinc/43/68/92/565436892.db2.gz OQFKFBYNYCTFEI-UHFFFAOYSA-N -1 2 384.679 2.976 20 0 GFADLM Cc1ccsc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OCCCCO ZINC000629328870 565843727 /nfs/dbraw/zinc/84/37/27/565843727.db2.gz UHDHEXOEQYEVSC-UHFFFAOYSA-N -1 2 385.463 2.707 20 0 GFADLM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])s1 ZINC000604856395 565938489 /nfs/dbraw/zinc/93/84/89/565938489.db2.gz NUAIDOVRHRMIGR-SNVBAGLBSA-N -1 2 382.463 2.753 20 0 GFADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000677804991 565984308 /nfs/dbraw/zinc/98/43/08/565984308.db2.gz NJWOFNZEFQIDRV-UHFFFAOYSA-N -1 2 398.238 2.616 20 0 GFADLM CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000611443947 566129726 /nfs/dbraw/zinc/12/97/26/566129726.db2.gz ADIQVTKZTVAZSL-UHFFFAOYSA-N -1 2 387.410 2.871 20 0 GFADLM COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000682872856 566174521 /nfs/dbraw/zinc/17/45/21/566174521.db2.gz ZUJRWMIHZRXMGS-UHFFFAOYSA-N -1 2 396.368 2.978 20 0 GFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000737716567 599814227 /nfs/dbraw/zinc/81/42/27/599814227.db2.gz BSLKCOMOXAMBGI-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)F)c1 ZINC000737718268 599815995 /nfs/dbraw/zinc/81/59/95/599815995.db2.gz PQVVEFWHEWHTBL-UHFFFAOYSA-N -1 2 391.373 2.971 20 0 GFADLM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737651098 599853366 /nfs/dbraw/zinc/85/33/66/599853366.db2.gz PBLXDXDPSRVAJW-UHFFFAOYSA-N -1 2 381.406 2.501 20 0 GFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1C(=O)NC(C)C ZINC000738463173 599908809 /nfs/dbraw/zinc/90/88/09/599908809.db2.gz AWTAAJSVLCCRHN-UHFFFAOYSA-N -1 2 394.424 2.771 20 0 GFADLM O=C([O-])Nc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1F ZINC000740011970 600101722 /nfs/dbraw/zinc/10/17/22/600101722.db2.gz HNXUCRMXZANZJR-UHFFFAOYSA-N -1 2 397.359 2.740 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)cc1C ZINC000738069555 600102361 /nfs/dbraw/zinc/10/23/61/600102361.db2.gz KORRJKOSGRTOCV-UHFFFAOYSA-N -1 2 393.446 2.816 20 0 GFADLM COC(=O)N(C)Cc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000737631598 600300349 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O=C([O-])Nc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000740039975 601047648 /nfs/dbraw/zinc/04/76/48/601047648.db2.gz BKIYSMVIVLMMGI-UHFFFAOYSA-N -1 2 376.369 2.902 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)ccc1F ZINC000738678929 601359956 /nfs/dbraw/zinc/35/99/56/601359956.db2.gz QMUKEMHFCLWDTH-UHFFFAOYSA-N -1 2 393.371 2.709 20 0 GFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000833318057 601492596 /nfs/dbraw/zinc/49/25/96/601492596.db2.gz DWDPAMZUWOOWMJ-UHFFFAOYSA-N -1 2 379.344 2.650 20 0 GFADLM Cn1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1C(=O)[O-] ZINC000833051240 601784908 /nfs/dbraw/zinc/78/49/08/601784908.db2.gz QMSHXESGCRZORB-UHFFFAOYSA-N -1 2 395.181 2.565 20 0 GFADLM CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000826754459 601833157 /nfs/dbraw/zinc/83/31/57/601833157.db2.gz OFXPZMLBWZTJNR-UHFFFAOYSA-N -1 2 383.451 2.627 20 0 GFADLM Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc2F)n1 ZINC000832881160 601837004 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CC1(C)Cc2nc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)sc2C(=O)C1 ZINC000833555684 605168001 /nfs/dbraw/zinc/16/80/01/605168001.db2.gz FVBWQCQEZKKAIP-UHFFFAOYSA-N -1 2 398.437 2.936 20 0 GFADLM CCc1nc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)sc1C(=O)[O-] ZINC000833675829 605344567 /nfs/dbraw/zinc/34/45/67/605344567.db2.gz UERHAMQHBHDYQE-UHFFFAOYSA-N -1 2 386.499 2.674 20 0 GFADLM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3cc(F)ccc3Cl)cc2C1 ZINC000834122034 605878574 /nfs/dbraw/zinc/87/85/74/605878574.db2.gz XABQHGJVXHGNMR-UHFFFAOYSA-N -1 2 385.804 2.711 20 0 GFADLM C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(-c4nn[nH]n4)s3)c2)C[C@H](C)O1 ZINC000820759946 606567382 /nfs/dbraw/zinc/56/73/82/606567382.db2.gz OFYCSGOBIIQWLI-BETUJISGSA-N -1 2 398.492 2.790 20 0 GFADLM Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000823821766 609357988 /nfs/dbraw/zinc/35/79/88/609357988.db2.gz ZRVLKSXAHKNSMO-GJZGRUSLSA-N -1 2 378.274 2.773 20 0 GFADLM Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000823821766 609357991 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CN(CC(=O)Nc1ccccc1Br)C(=O)CC(C)(C)CC(=O)[O-] ZINC000237120192 553075650 /nfs/dbraw/zinc/07/56/50/553075650.db2.gz MFYUOCCBQFSJBI-UHFFFAOYSA-N -1 2 385.258 2.737 20 0 GFADLM O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(F)cc(Br)c1[O-] ZINC000436864566 563683234 /nfs/dbraw/zinc/68/32/34/563683234.db2.gz OAMKQKHZSGPNLO-UHFFFAOYSA-N -1 2 395.213 2.882 20 0 GFADLM Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1C(=O)[O-] ZINC000568317577 564414025 /nfs/dbraw/zinc/41/40/25/564414025.db2.gz AQNBQSGQHYRUCN-UHFFFAOYSA-N -1 2 394.783 2.821 20 0 GFADLM COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)n1 ZINC000479230569 564432071 /nfs/dbraw/zinc/43/20/71/564432071.db2.gz FLPNDFURSFNYQY-SECBINFHSA-N -1 2 387.845 2.551 20 0 GFADLM COC(=O)[C@@H](C)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000546072952 564443181 /nfs/dbraw/zinc/44/31/81/564443181.db2.gz BIKKMMYHQSNKDD-JTQLQIEISA-N -1 2 383.447 2.599 20 0 GFADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000547542201 564492808 /nfs/dbraw/zinc/49/28/08/564492808.db2.gz VVSXNXJXBDALGM-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM COc1cc(S(=O)(=O)Nc2ccc(F)cc2O)c(Cl)cc1C(=O)[O-] ZINC000481614988 564517868 /nfs/dbraw/zinc/51/78/68/564517868.db2.gz MKVQMYHMDBDUFL-UHFFFAOYSA-N -1 2 375.761 2.692 20 0 GFADLM COC(=O)c1csc(S(=O)(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000520333815 564601702 /nfs/dbraw/zinc/60/17/02/564601702.db2.gz DPZOZCCHHUGRAV-UHFFFAOYSA-N -1 2 380.403 2.515 20 0 GFADLM COC(=O)c1csc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000526042696 564717121 /nfs/dbraw/zinc/71/71/21/564717121.db2.gz VAOGIKXUTBSVPY-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM CCn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1C(=O)[O-] ZINC000554831340 564774537 /nfs/dbraw/zinc/77/45/37/564774537.db2.gz JJZZWZYJIOMYNF-UHFFFAOYSA-N -1 2 378.328 2.731 20 0 GFADLM O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc(Br)ccc1O ZINC000629100776 565823509 /nfs/dbraw/zinc/82/35/09/565823509.db2.gz PQGCZQQQPTVEMD-UHFFFAOYSA-N -1 2 384.255 2.574 20 0 GFADLM COc1ncccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000677233619 565965310 /nfs/dbraw/zinc/96/53/10/565965310.db2.gz JMLAPNGQFLQGOX-UHFFFAOYSA-N -1 2 376.312 2.608 20 0 GFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2scnc2c1 ZINC000737718402 599816059 /nfs/dbraw/zinc/81/60/59/599816059.db2.gz RLUWGHUQCWBXHD-UHFFFAOYSA-N -1 2 398.443 2.643 20 0 GFADLM CCCn1nccc1NS(=O)(=O)c1ccc(Br)cc1C(=O)[O-] ZINC000737052114 600056002 /nfs/dbraw/zinc/05/60/02/600056002.db2.gz WXTGWEWMJFANKR-UHFFFAOYSA-N -1 2 388.243 2.555 20 0 GFADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(F)c(C)c3)nc2n1 ZINC000738346398 600102538 /nfs/dbraw/zinc/10/25/38/600102538.db2.gz TWXVEFJMWVFNNA-UHFFFAOYSA-N -1 2 381.410 2.946 20 0 GFADLM Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000738292066 600254921 /nfs/dbraw/zinc/25/49/21/600254921.db2.gz YGUCEUDDZOQUBN-DEOSSOPVSA-N -1 2 385.438 2.512 20 0 GFADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000174995124 600625680 /nfs/dbraw/zinc/62/56/80/600625680.db2.gz OCBRAOXGXLKFMU-UHFFFAOYSA-N -1 2 385.445 2.917 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1C(=O)[O-] ZINC000738064128 600659540 /nfs/dbraw/zinc/65/95/40/600659540.db2.gz SYADKQZEVGLRPK-UHFFFAOYSA-N -1 2 387.417 2.688 20 0 GFADLM CCCn1cc(NS(=O)(=O)c2ccc(Br)cc2C(=O)[O-])cn1 ZINC000829585033 600686845 /nfs/dbraw/zinc/68/68/45/600686845.db2.gz BFHCQLSAZCJJSJ-UHFFFAOYSA-N -1 2 388.243 2.555 20 0 GFADLM CCC[C@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)sc2C1 ZINC000829265775 600827809 /nfs/dbraw/zinc/82/78/09/600827809.db2.gz AEYUTEWWRUTGNT-JTQLQIEISA-N -1 2 383.495 2.886 20 0 GFADLM Cc1c(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cccc1C(=O)[O-] ZINC000460822591 601047032 /nfs/dbraw/zinc/04/70/32/601047032.db2.gz GUIHGCRNLPDZQR-UHFFFAOYSA-N -1 2 375.381 2.819 20 0 GFADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)o1 ZINC000832935235 601360392 /nfs/dbraw/zinc/36/03/92/601360392.db2.gz CZGDHRLUPQAVRF-WEVVVXLNSA-N -1 2 387.417 2.731 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)ccc1F ZINC000833306080 601362136 /nfs/dbraw/zinc/36/21/36/601362136.db2.gz BVPSLICLKPJUKX-UHFFFAOYSA-N -1 2 379.394 2.843 20 0 GFADLM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000833345330 601385270 /nfs/dbraw/zinc/38/52/70/601385270.db2.gz VHSMPIHAMWEMAQ-UHFFFAOYSA-N -1 2 378.740 2.835 20 0 GFADLM CCc1ccccc1N1CC(=O)C(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)=N1 ZINC000830270351 601756730 /nfs/dbraw/zinc/75/67/30/601756730.db2.gz NXHFTIDLNRDPAS-UHFFFAOYSA-N -1 2 377.400 2.995 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccn2)ccc1Br ZINC000236458718 601769189 /nfs/dbraw/zinc/76/91/89/601769189.db2.gz NIXFKOXGUNEMEO-UHFFFAOYSA-N -1 2 391.630 2.997 20 0 GFADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000833347019 601832912 /nfs/dbraw/zinc/83/29/12/601832912.db2.gz ZPLSNYVTYJEVKI-UHFFFAOYSA-N -1 2 382.341 2.583 20 0 GFADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832984484 601847690 /nfs/dbraw/zinc/84/76/90/601847690.db2.gz SVOBAMFPGACQHS-UHFFFAOYSA-N -1 2 395.437 2.939 20 0 GFADLM Cc1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])ncc1Br ZINC000832899057 601847899 /nfs/dbraw/zinc/84/78/99/601847899.db2.gz BYXHRFVNQIVZPO-UHFFFAOYSA-N -1 2 389.202 2.791 20 0 GFADLM CCCOc1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000829537711 602104695 /nfs/dbraw/zinc/10/46/95/602104695.db2.gz ASRAULYWBBNAID-UHFFFAOYSA-N -1 2 385.467 2.535 20 0 GFADLM CN(Cc1ccccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000739715828 602654313 /nfs/dbraw/zinc/65/43/13/602654313.db2.gz RJORMKJFGROVTL-UHFFFAOYSA-N -1 2 386.433 2.783 20 0 GFADLM O=C([O-])N[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)C1 ZINC000740594691 604431272 /nfs/dbraw/zinc/43/12/72/604431272.db2.gz AFTMMAONZDDELI-GFCCVEGCSA-N -1 2 388.424 2.633 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)c(Cl)c1Cl ZINC000832468991 604708869 /nfs/dbraw/zinc/70/88/69/604708869.db2.gz ZDJJJGTWFCXYOW-UHFFFAOYSA-N -1 2 377.205 2.896 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c(C(=O)[O-])c1 ZINC000833751282 605189225 /nfs/dbraw/zinc/18/92/25/605189225.db2.gz SNTLBKGCJLXANU-UHFFFAOYSA-N -1 2 375.381 2.819 20 0 GFADLM FC(F)(F)CCCCN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826367717 607743179 /nfs/dbraw/zinc/74/31/79/607743179.db2.gz LGGZSVDWLHPBRY-UHFFFAOYSA-N -1 2 385.394 2.587 20 0 GFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000828420380 605573540 /nfs/dbraw/zinc/57/35/40/605573540.db2.gz GOJWQSSXYHQPJQ-ZDUSSCGKSA-N -1 2 386.433 2.754 20 0 GFADLM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000042792641 654644844 /nfs/dbraw/zinc/64/48/44/654644844.db2.gz QEKBYHCAKCIRNO-UHFFFAOYSA-N -1 2 383.809 2.934 20 0 GFADLM CCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042792151 654644880 /nfs/dbraw/zinc/64/48/80/654644880.db2.gz AQMJULUQECHVGS-UHFFFAOYSA-N -1 2 382.463 2.695 20 0 GFADLM O=C([O-])c1ccccc1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000048443353 654707012 /nfs/dbraw/zinc/70/70/12/654707012.db2.gz BRMAEALICJBWCY-UHFFFAOYSA-N -1 2 391.630 2.997 20 0 GFADLM CCn1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000269994103 655030463 /nfs/dbraw/zinc/03/04/63/655030463.db2.gz KBCTYOHOCSSTDQ-UHFFFAOYSA-N -1 2 388.829 2.678 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000780404585 657003820 /nfs/dbraw/zinc/00/38/20/657003820.db2.gz IDGHSXNSOVFNCI-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000852734789 661872628 /nfs/dbraw/zinc/87/26/28/661872628.db2.gz DFFAMRDXRHBLOH-NWDGAFQWSA-N -1 2 382.741 2.575 20 0 GFADLM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000852734789 661872630 /nfs/dbraw/zinc/87/26/30/661872630.db2.gz DFFAMRDXRHBLOH-NWDGAFQWSA-N -1 2 382.741 2.575 20 0 GFADLM Cc1ncc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000229619512 553064359 /nfs/dbraw/zinc/06/43/59/553064359.db2.gz BHGKRKAQGYNUGP-UHFFFAOYSA-N -1 2 377.241 2.713 20 0 GFADLM O=C1NC(=O)N2CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]12 ZINC000329425833 563479724 /nfs/dbraw/zinc/47/97/24/563479724.db2.gz IPPNVPWWBAFGMZ-LBPRGKRZSA-N -1 2 391.225 2.680 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000436155328 563665597 /nfs/dbraw/zinc/66/55/97/563665597.db2.gz PRVAGNPTHYHCCT-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000436164850 563665887 /nfs/dbraw/zinc/66/58/87/563665887.db2.gz LSUWBUSBISVIHX-UHFFFAOYSA-N -1 2 383.447 2.661 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2cccc(-c3nccn3CC(=O)[O-])c2)s1 ZINC000364059382 563741788 /nfs/dbraw/zinc/74/17/88/563741788.db2.gz RRYPKWIXYVRFAE-UHFFFAOYSA-N -1 2 377.447 2.805 20 0 GFADLM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000444420545 563830764 /nfs/dbraw/zinc/83/07/64/563830764.db2.gz DPNHLZFIGVUAPA-UHFFFAOYSA-N -1 2 379.419 2.651 20 0 GFADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1 ZINC000444425884 563831855 /nfs/dbraw/zinc/83/18/55/563831855.db2.gz XUIMKBKWWOJOSB-UHFFFAOYSA-N -1 2 377.447 2.956 20 0 GFADLM CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccnc(Br)c3)CC2)n1 ZINC000294214788 563834361 /nfs/dbraw/zinc/83/43/61/563834361.db2.gz RZIIQHQSLWCHOI-UHFFFAOYSA-N -1 2 394.273 2.519 20 0 GFADLM COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000507908990 564247955 /nfs/dbraw/zinc/24/79/55/564247955.db2.gz OXZFQBQFDQXWOZ-GFCCVEGCSA-N -1 2 387.816 2.883 20 0 GFADLM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2cc(C)cs2)c(OC)c1OC ZINC000450970016 564257722 /nfs/dbraw/zinc/25/77/22/564257722.db2.gz MTQHEEUPSZTWRN-UHFFFAOYSA-N -1 2 387.435 2.581 20 0 GFADLM COC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479272267 564434641 /nfs/dbraw/zinc/43/46/41/564434641.db2.gz QVZHSAZXFGNSQF-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548592243 564565266 /nfs/dbraw/zinc/56/52/66/564565266.db2.gz AWIFGEOXZHIQIX-MLUIRONXSA-N -1 2 380.171 2.989 20 0 GFADLM COc1cc(S(=O)(=O)Nc2cc(C)cnc2OC)c(Cl)cc1C(=O)[O-] ZINC000485266871 564611665 /nfs/dbraw/zinc/61/16/65/564611665.db2.gz DYAKGZKIVKGVIL-UHFFFAOYSA-N -1 2 386.813 2.560 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccnc2OCC(F)F)cc1Cl ZINC000498488006 564900305 /nfs/dbraw/zinc/90/03/05/564900305.db2.gz OTQYYJBGCUEWTQ-UHFFFAOYSA-N -1 2 392.767 2.878 20 0 GFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cccc(Cl)c2F)c1OC ZINC000467329767 564960883 /nfs/dbraw/zinc/96/08/83/564960883.db2.gz LSDZBRGPNNZALQ-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM CC[S@@](=O)c1ccccc1C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000560735966 564974115 /nfs/dbraw/zinc/97/41/15/564974115.db2.gz WUVQSWBKOGGKAQ-XMMPIXPASA-N -1 2 381.475 2.566 20 0 GFADLM COc1ccc([C@@H](NS(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F)cc1 ZINC000645988395 565580674 /nfs/dbraw/zinc/58/06/74/565580674.db2.gz AWRDZOSQCPYUMR-CQSZACIVSA-N -1 2 383.388 2.863 20 0 GFADLM COCCOCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000629328244 565843913 /nfs/dbraw/zinc/84/39/13/565843913.db2.gz RVIMKDCCTSMMGJ-UHFFFAOYSA-N -1 2 385.463 2.719 20 0 GFADLM 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Cc1ccc(Cn2nccc2NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)o1 ZINC000832935769 601360618 /nfs/dbraw/zinc/36/06/18/601360618.db2.gz MYBNXIUQHDLGTA-UHFFFAOYSA-N -1 2 389.433 2.949 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc(F)c1F ZINC000751146405 601838761 /nfs/dbraw/zinc/83/87/61/601838761.db2.gz RSFIEPKSVANWNQ-UHFFFAOYSA-N -1 2 379.344 2.650 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OCCF)c2)c(F)cc1F ZINC000833306014 601856283 /nfs/dbraw/zinc/85/62/83/601856283.db2.gz IIGARIGHGARPTD-UHFFFAOYSA-N -1 2 375.324 2.812 20 0 GFADLM Cc1cc(C)c(C)c(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)c1C ZINC000832872162 602105087 /nfs/dbraw/zinc/10/50/87/602105087.db2.gz KJMKEPLLJGYVFE-UHFFFAOYSA-N -1 2 383.495 2.980 20 0 GFADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000833232328 602105931 /nfs/dbraw/zinc/10/59/31/602105931.db2.gz NCJNWQNPZIZFKX-UHFFFAOYSA-N -1 2 377.447 2.899 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)nc2)c(F)cc1F ZINC000833305904 602157683 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Cc1ccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c(C)c1C(=O)[O-] ZINC000156370416 551521266 /nfs/dbraw/zinc/52/12/66/551521266.db2.gz BGSKPFAZHOAJMH-UHFFFAOYSA-N -1 2 377.344 2.561 20 0 GFADLM COC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000237190927 553075522 /nfs/dbraw/zinc/07/55/22/553075522.db2.gz PQNCDNLAOYYLJZ-MGPLVRAMSA-N -1 2 390.249 2.763 20 0 GFADLM COC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC000327318091 563458006 /nfs/dbraw/zinc/45/80/06/563458006.db2.gz JHORCZODXLUVSC-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM Cc1cc(Br)c(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)s1 ZINC000333128378 563621361 /nfs/dbraw/zinc/62/13/61/563621361.db2.gz WLLIJZZKFQZYSS-OIBJUYFYSA-N -1 2 376.301 3.000 20 0 GFADLM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(F)(F)F ZINC000436167874 563666433 /nfs/dbraw/zinc/66/64/33/563666433.db2.gz WJWZHNDWPIMLFL-UHFFFAOYSA-N -1 2 383.735 2.591 20 0 GFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC000436995149 563687801 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COc1cc(NS(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])cc1OC ZINC000463527916 564884338 /nfs/dbraw/zinc/88/43/38/564884338.db2.gz VACPDNMQIQTOHA-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000590565987 565191914 /nfs/dbraw/zinc/19/19/14/565191914.db2.gz YOVAHVBGWBSGBE-SNVBAGLBSA-N -1 2 382.463 2.753 20 0 GFADLM COC(=O)c1sccc1S(=O)(=O)Nc1c(C)c(Cl)ccc1C(=O)[O-] ZINC000612648596 566168782 /nfs/dbraw/zinc/16/87/82/566168782.db2.gz LQRHAMCCPNPKGE-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM Cn1ccnc1-c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000739043715 599886057 /nfs/dbraw/zinc/88/60/57/599886057.db2.gz UFSLBGYUACXYGR-UHFFFAOYSA-N -1 2 375.381 2.725 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c(F)cc1F ZINC000740089615 600232771 /nfs/dbraw/zinc/23/27/71/600232771.db2.gz GWPWKPFQWKHKIF-UHFFFAOYSA-N -1 2 379.344 2.650 20 0 GFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1 ZINC000739886667 600244410 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O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000833294458 601848208 /nfs/dbraw/zinc/84/82/08/601848208.db2.gz QVMJBMSXSIRYIW-UHFFFAOYSA-N -1 2 379.394 2.843 20 0 GFADLM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000833344706 601856353 /nfs/dbraw/zinc/85/63/53/601856353.db2.gz GQIWAMVSTIJTDT-UHFFFAOYSA-N -1 2 396.730 2.975 20 0 GFADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000833295107 601864787 /nfs/dbraw/zinc/86/47/87/601864787.db2.gz ZZIWDKUBKOYZOI-UHFFFAOYSA-N -1 2 379.344 2.650 20 0 GFADLM Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000763303450 601989001 /nfs/dbraw/zinc/98/90/01/601989001.db2.gz NRMKNXLQLFGZQG-UHFFFAOYSA-N -1 2 390.396 2.522 20 0 GFADLM Cc1ccnc(-n2nccc2NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000832982990 602158958 /nfs/dbraw/zinc/15/89/58/602158958.db2.gz AWABLZRDTVMCMG-UHFFFAOYSA-N -1 2 386.433 2.692 20 0 GFADLM O=C([O-])NCCOc1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000832672622 603399518 /nfs/dbraw/zinc/39/95/18/603399518.db2.gz SACSTAORHFLLBK-UHFFFAOYSA-N -1 2 390.339 2.551 20 0 GFADLM C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CC[C@@H]1NC(=O)[O-] ZINC000826034575 603838857 /nfs/dbraw/zinc/83/88/57/603838857.db2.gz KSLJVOGGKFPATL-CPCISQLKSA-N -1 2 391.649 2.926 20 0 GFADLM CCC(=O)c1cccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000828580284 604775653 /nfs/dbraw/zinc/77/56/53/604775653.db2.gz FZYUWKFEIPPROW-UHFFFAOYSA-N -1 2 382.463 2.944 20 0 GFADLM CC(C)Oc1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000833506670 605012060 /nfs/dbraw/zinc/01/20/60/605012060.db2.gz KMQOGHDYMWVUJF-UHFFFAOYSA-N -1 2 385.467 2.533 20 0 GFADLM Cc1nc(NS(=O)(=O)c2cc(F)ccc2Br)sc1C(=O)[O-] ZINC000833002559 605013559 /nfs/dbraw/zinc/01/35/59/605013559.db2.gz CAGXERDNPIZXFU-UHFFFAOYSA-N -1 2 395.231 2.852 20 0 GFADLM C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833515386 605124041 /nfs/dbraw/zinc/12/40/41/605124041.db2.gz GNVIKHIBPFNPJX-GFCCVEGCSA-N -1 2 375.450 2.771 20 0 GFADLM C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833516306 605151338 /nfs/dbraw/zinc/15/13/38/605151338.db2.gz VMSOVUAZTKXJBZ-LLVKDONJSA-N -1 2 386.433 2.901 20 0 GFADLM O=C([O-])N[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)C1 ZINC000740594693 605936926 /nfs/dbraw/zinc/93/69/26/605936926.db2.gz AFTMMAONZDDELI-LBPRGKRZSA-N -1 2 388.424 2.633 20 0 GFADLM C[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C[C@H]1C(=O)[O-] ZINC000566068972 655424663 /nfs/dbraw/zinc/42/46/63/655424663.db2.gz NJZRHIOZOJLILJ-BXKDBHETSA-N -1 2 380.857 2.855 20 0 GFADLM C[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C[C@@H]1C(=O)[O-] ZINC000566068975 655424667 /nfs/dbraw/zinc/42/46/67/655424667.db2.gz NJZRHIOZOJLILJ-SKDRFNHKSA-N -1 2 380.857 2.855 20 0 GFADLM CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000737153850 655669307 /nfs/dbraw/zinc/66/93/07/655669307.db2.gz HWEVFVKOPUZXSG-UHFFFAOYSA-N -1 2 387.410 2.871 20 0 GFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2C[S@](C)=O)c1F ZINC000762452875 656042492 /nfs/dbraw/zinc/04/24/92/656042492.db2.gz HQWSDLHQOYSEGJ-DEOSSOPVSA-N -1 2 385.438 2.512 20 0 GFADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(Cl)nc2C)c1OC ZINC000806634599 659838194 /nfs/dbraw/zinc/83/81/94/659838194.db2.gz ISJUKPTXDYFDSL-UHFFFAOYSA-N -1 2 386.813 2.560 20 0 GFADLM Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000021867506 551116740 /nfs/dbraw/zinc/11/67/40/551116740.db2.gz MURRHAQVORABIK-UHFFFAOYSA-N -1 2 396.475 2.527 20 0 GFADLM O=C([O-])c1cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)ccc1Cl ZINC000186973337 552403234 /nfs/dbraw/zinc/40/32/34/552403234.db2.gz GDGCRADEJHKMPK-UHFFFAOYSA-N -1 2 383.735 2.598 20 0 GFADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000187017633 552404236 /nfs/dbraw/zinc/40/42/36/552404236.db2.gz WTPHERAIHJXIOY-UHFFFAOYSA-N -1 2 397.762 2.906 20 0 GFADLM COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1C(=O)[O-] ZINC000432782263 563593043 /nfs/dbraw/zinc/59/30/43/563593043.db2.gz SCBYAUUGDIBIDU-UHFFFAOYSA-N -1 2 376.312 2.608 20 0 GFADLM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(F)cc(Br)c1O ZINC000436854957 563682629 /nfs/dbraw/zinc/68/26/29/563682629.db2.gz GVXRLHHMOUHWRM-UHFFFAOYSA-N -1 2 394.156 2.889 20 0 GFADLM Cc1ccc(Br)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436993690 563687647 /nfs/dbraw/zinc/68/76/47/563687647.db2.gz FYCSPHQLYQNUMY-UHFFFAOYSA-N -1 2 386.223 2.962 20 0 GFADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000442816669 563780521 /nfs/dbraw/zinc/78/05/21/563780521.db2.gz LEKLARGGVVHJQS-UHFFFAOYSA-N -1 2 389.838 2.996 20 0 GFADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548241741 564541429 /nfs/dbraw/zinc/54/14/29/564541429.db2.gz DQPUASSRKVOHTA-QUBYGPBYSA-N -1 2 394.198 2.859 20 0 GFADLM COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)n1 ZINC000489038941 564727164 /nfs/dbraw/zinc/72/71/64/564727164.db2.gz JFYNVYZOJSWKRF-SECBINFHSA-N -1 2 387.845 2.551 20 0 GFADLM COc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000489286695 564735101 /nfs/dbraw/zinc/73/51/01/564735101.db2.gz KFVNHYCHUAGMHR-UHFFFAOYSA-N -1 2 376.312 2.608 20 0 GFADLM CCc1onc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000536101853 565029930 /nfs/dbraw/zinc/02/99/30/565029930.db2.gz AMRIGAYDHIQQDO-UHFFFAOYSA-N -1 2 389.227 2.807 20 0 GFADLM O=C([O-])CC[C@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)(F)F ZINC000663293309 565408072 /nfs/dbraw/zinc/40/80/72/565408072.db2.gz DKTODQDKWDHDFU-ZCFIWIBFSA-N -1 2 395.733 2.940 20 0 GFADLM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000677234772 565965186 /nfs/dbraw/zinc/96/51/86/565965186.db2.gz JTYPSBBLWZVCPP-QMMMGPOBSA-N -1 2 386.426 2.583 20 0 GFADLM O=C([O-])CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000656231848 566114276 /nfs/dbraw/zinc/11/42/76/566114276.db2.gz PWICWBLNJWLUKJ-UHFFFAOYSA-N -1 2 383.451 2.527 20 0 GFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cncc(F)c2)c(OCC(F)(F)F)c1 ZINC000740155864 599802226 /nfs/dbraw/zinc/80/22/26/599802226.db2.gz ZACMREHNEJSIDU-UHFFFAOYSA-N -1 2 394.302 2.661 20 0 GFADLM Cc1ccnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)c1 ZINC000738797599 599883124 /nfs/dbraw/zinc/88/31/24/599883124.db2.gz FATYIOBLDPYNQC-UHFFFAOYSA-N -1 2 389.202 2.791 20 0 GFADLM O=C([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000740067005 599924365 /nfs/dbraw/zinc/92/43/65/599924365.db2.gz AGWBWQMIWZUKSI-UHFFFAOYSA-N -1 2 398.238 2.616 20 0 GFADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000737716566 599926748 /nfs/dbraw/zinc/92/67/48/599926748.db2.gz BRTHLCUQBKYKCR-UHFFFAOYSA-N -1 2 380.403 2.515 20 0 GFADLM Cc1nc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)sc1C(=O)[O-] ZINC000738364793 600054672 /nfs/dbraw/zinc/05/46/72/600054672.db2.gz WSMLPHUQYZJXLB-UHFFFAOYSA-N -1 2 389.414 2.669 20 0 GFADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738914485 600057715 /nfs/dbraw/zinc/05/77/15/600057715.db2.gz FOWQPMHVTRIGJF-UHFFFAOYSA-N -1 2 377.344 2.555 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nccs2)c(F)cc1Br ZINC000740090612 600204522 /nfs/dbraw/zinc/20/45/22/600204522.db2.gz ZYEMPZLOVIWYHQ-UHFFFAOYSA-N -1 2 381.204 2.544 20 0 GFADLM CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737155501 600228879 /nfs/dbraw/zinc/22/88/79/600228879.db2.gz QWDFWJPRXSYZQZ-UHFFFAOYSA-N -1 2 385.344 2.641 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c(F)cc1F ZINC000740089255 600231675 /nfs/dbraw/zinc/23/16/75/600231675.db2.gz CGSVQUFHEXIKJO-UHFFFAOYSA-N -1 2 396.371 2.591 20 0 GFADLM COc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1F ZINC000737839011 600233830 /nfs/dbraw/zinc/23/38/30/600233830.db2.gz ASNHNOLBWKLGFQ-UHFFFAOYSA-N -1 2 379.287 2.751 20 0 GFADLM CC(C)COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000736448170 600253959 /nfs/dbraw/zinc/25/39/59/600253959.db2.gz IHBOCPLCVDVURO-UHFFFAOYSA-N -1 2 386.376 2.894 20 0 GFADLM Cc1cc(SC(C)(C)C)ccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832904963 600679948 /nfs/dbraw/zinc/67/99/48/600679948.db2.gz KJDCSXDGZVLCGX-UHFFFAOYSA-N -1 2 383.495 2.968 20 0 GFADLM CCn1nc(C)c(S(=O)(=O)Nc2cccc(CSCC(=O)[O-])c2)c1C ZINC000737312057 600893325 /nfs/dbraw/zinc/89/33/25/600893325.db2.gz KRVZQXGAFASDBF-UHFFFAOYSA-N -1 2 383.495 2.638 20 0 GFADLM Cc1nc(-c2ccc(C)c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)n[nH]1 ZINC000749013213 601205519 /nfs/dbraw/zinc/20/55/19/601205519.db2.gz ZSFPCWRNPCVTNZ-UHFFFAOYSA-N -1 2 390.396 2.727 20 0 GFADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCCc2ccc(C(=O)[O-])cc2)=N1 ZINC000832890113 601272463 /nfs/dbraw/zinc/27/24/63/601272463.db2.gz OYKIGDRDOQWPQP-UHFFFAOYSA-N -1 2 383.379 2.696 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)sc1Br ZINC000123548266 601338129 /nfs/dbraw/zinc/33/81/29/601338129.db2.gz LKXDOLJBCASFOV-UHFFFAOYSA-N -1 2 397.297 2.703 20 0 GFADLM Cc1nn(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C ZINC000833013677 601360467 /nfs/dbraw/zinc/36/04/67/601360467.db2.gz CPWBTJKLZSAZOH-UHFFFAOYSA-N -1 2 378.237 2.843 20 0 GFADLM CC(C)(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000826528374 601502755 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Cc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000832935196 602104976 /nfs/dbraw/zinc/10/49/76/602104976.db2.gz BRVDECQLHSODAK-UHFFFAOYSA-N -1 2 375.859 2.708 20 0 GFADLM CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc(C(=O)[O-])cs3)ccc21 ZINC000825833778 602117298 /nfs/dbraw/zinc/11/72/98/602117298.db2.gz GBVREDRMNNEESU-UHFFFAOYSA-N -1 2 380.447 2.546 20 0 GFADLM O=C([O-])c1nscc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000833346627 602156518 /nfs/dbraw/zinc/15/65/18/602156518.db2.gz MHGFGLOGGGZDFX-UHFFFAOYSA-N -1 2 381.204 2.544 20 0 GFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)nc2)c1 ZINC000222059780 602156565 /nfs/dbraw/zinc/15/65/65/602156565.db2.gz XJTBUAARHMJUJD-UHFFFAOYSA-N -1 2 391.630 2.997 20 0 GFADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)cc1 ZINC000833259501 602308613 /nfs/dbraw/zinc/30/86/13/602308613.db2.gz RSVWNXUOWSYYOF-UHFFFAOYSA-N -1 2 379.438 2.722 20 0 GFADLM CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042796186 654645115 /nfs/dbraw/zinc/64/51/15/654645115.db2.gz BZANIYVRIMIFLX-UHFFFAOYSA-N -1 2 382.463 2.614 20 0 GFADLM O=c1[nH]nc(-c2cc([N-]S(=O)(=O)c3cccs3)cc(C(F)(F)F)c2)[nH]1 ZINC000057783983 654810273 /nfs/dbraw/zinc/81/02/73/654810273.db2.gz BWFMIKLDWKYDHS-UHFFFAOYSA-N -1 2 390.368 2.646 20 0 GFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(Br)c(C)c1 ZINC000181176053 655333417 /nfs/dbraw/zinc/33/34/17/655333417.db2.gz MRVZWWIMMHPHOU-UHFFFAOYSA-N -1 2 375.200 2.553 20 0 GFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnc1Br ZINC000318406728 655381033 /nfs/dbraw/zinc/38/10/33/655381033.db2.gz QBMQMHAAIMMNDV-UHFFFAOYSA-N -1 2 389.202 2.791 20 0 GFADLM CC(C)n1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000266066322 655496192 /nfs/dbraw/zinc/49/61/92/655496192.db2.gz JVVCLZMRGCHPAU-UHFFFAOYSA-N -1 2 377.344 2.982 20 0 GFADLM Cc1noc2ncc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3Cl)cc12 ZINC000753781245 655858642 /nfs/dbraw/zinc/85/86/42/655858642.db2.gz XFJVGPGKTYYYIQ-UHFFFAOYSA-N -1 2 381.797 2.992 20 0 GFADLM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753781432 655858660 /nfs/dbraw/zinc/85/86/60/655858660.db2.gz AKCXJQBLVNORFP-UHFFFAOYSA-N -1 2 388.854 2.616 20 0 GFADLM COc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790383813 657965434 /nfs/dbraw/zinc/96/54/34/657965434.db2.gz LFMQPLPDHZLNJC-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000799744502 659220890 /nfs/dbraw/zinc/22/08/90/659220890.db2.gz DSXVNSGRENNUTO-LDWIPMOCSA-N -1 2 394.198 2.859 20 0 GFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)c1F ZINC000802722591 659495827 /nfs/dbraw/zinc/49/58/27/659495827.db2.gz CGVITFKTLVJWDZ-UHFFFAOYSA-N -1 2 376.312 2.630 20 0 GFADLM CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237122065 553075576 /nfs/dbraw/zinc/07/55/76/553075576.db2.gz WNTXPJBPCRQDTP-UHFFFAOYSA-N -1 2 391.221 2.858 20 0 GFADLM COCCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000237177106 553075657 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GFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(OC)c(C)c1OC ZINC000478696426 564411818 /nfs/dbraw/zinc/41/18/18/564411818.db2.gz FJACBOGXTKHQLW-UHFFFAOYSA-N -1 2 387.435 2.581 20 0 GFADLM COC(=O)Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])s1 ZINC000548193461 564534713 /nfs/dbraw/zinc/53/47/13/564534713.db2.gz AYCKTOXRLFOCQE-UHFFFAOYSA-N -1 2 389.838 2.616 20 0 GFADLM CC[C@](C)(NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000485379458 564613172 /nfs/dbraw/zinc/61/31/72/564613172.db2.gz ZWGXURSSSWCQDW-INIZCTEOSA-N -1 2 382.463 2.532 20 0 GFADLM CCn1cnnc1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000521105404 564619182 /nfs/dbraw/zinc/61/91/82/564619182.db2.gz ODGDUOVSTLKPDR-UHFFFAOYSA-N -1 2 378.435 2.526 20 0 GFADLM C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C[C@H]1C(=O)[O-] ZINC000575749456 564702873 /nfs/dbraw/zinc/70/28/73/564702873.db2.gz SQWWBHMVFKJWRN-GXSJLCMTSA-N -1 2 380.857 2.855 20 0 GFADLM Cc1cc(C)nc(N2CC[NH+](Cc3cccc(O)c3Br)CC2)n1 ZINC000459489813 564747070 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C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653542115 565971551 /nfs/dbraw/zinc/97/15/51/565971551.db2.gz GUVWDSBCFYWWRK-DVVUODLYSA-N -1 2 380.495 2.945 20 0 GFADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn(C)c1C(F)F ZINC000677849212 565985330 /nfs/dbraw/zinc/98/53/30/565985330.db2.gz ZYXFXMBDRBNUJZ-UHFFFAOYSA-N -1 2 379.772 2.819 20 0 GFADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000656621083 566148061 /nfs/dbraw/zinc/14/80/61/566148061.db2.gz MFQBCNJQPDDRBH-CYBMUJFWSA-N -1 2 391.873 2.994 20 0 GFADLM O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)n1 ZINC000739920898 599739892 /nfs/dbraw/zinc/73/98/92/599739892.db2.gz UHERAWJPGJMSFY-UHFFFAOYSA-N -1 2 393.465 2.728 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1NC(C)=O ZINC000326655748 599876167 /nfs/dbraw/zinc/87/61/67/599876167.db2.gz CHBXAEYCSKMHQO-UHFFFAOYSA-N -1 2 384.435 2.523 20 0 GFADLM COc1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)c(C(=O)[O-])cc1OC ZINC000547560562 599885540 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GFADLM Cc1csc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000738822015 600360921 /nfs/dbraw/zinc/36/09/21/600360921.db2.gz WJHWXAIBPUGAHI-UHFFFAOYSA-N -1 2 377.241 2.713 20 0 GFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000115876969 600482880 /nfs/dbraw/zinc/48/28/80/600482880.db2.gz GSFQTYVFIGJVBO-UHFFFAOYSA-N -1 2 398.799 2.863 20 0 GFADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000738798913 600629708 /nfs/dbraw/zinc/62/97/08/600629708.db2.gz UFGDCPXEURQYPE-UHFFFAOYSA-N -1 2 391.474 2.729 20 0 GFADLM CCc1nnc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)o1 ZINC000745978939 600690742 /nfs/dbraw/zinc/69/07/42/600690742.db2.gz DXVUJSXTOMIXQE-UHFFFAOYSA-N -1 2 391.380 2.937 20 0 GFADLM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c1 ZINC000831370456 600985835 /nfs/dbraw/zinc/98/58/35/600985835.db2.gz OGLYPWLHYXYJRO-UHFFFAOYSA-N -1 2 398.462 2.726 20 0 GFADLM COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000831124081 601320235 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COc1ccc([C@H](CC(=O)[O-])NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1 ZINC000832241558 601755906 /nfs/dbraw/zinc/75/59/06/601755906.db2.gz SVFGVVPKUIIPRQ-INIZCTEOSA-N -1 2 399.378 2.671 20 0 GFADLM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000831226822 601862979 /nfs/dbraw/zinc/86/29/79/601862979.db2.gz SNKOZFWGRAYZKM-UHFFFAOYSA-N -1 2 396.396 2.523 20 0 GFADLM CCCc1cc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)[nH]n1 ZINC000317662325 602305699 /nfs/dbraw/zinc/30/56/99/602305699.db2.gz UMEPEAKFLXCQIF-UHFFFAOYSA-N -1 2 388.243 2.624 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c(Cl)cc1Cl ZINC000755255472 602318454 /nfs/dbraw/zinc/31/84/54/602318454.db2.gz DTKKYWPPESNLPV-UHFFFAOYSA-N -1 2 387.204 2.764 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c(Cl)cc1Cl ZINC000755255472 602318458 /nfs/dbraw/zinc/31/84/58/602318458.db2.gz DTKKYWPPESNLPV-UHFFFAOYSA-N -1 2 387.204 2.764 20 0 GFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740244693 603421207 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C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CC[C@H]1NC(=O)[O-] ZINC000826034578 603838995 /nfs/dbraw/zinc/83/89/95/603838995.db2.gz KSLJVOGGKFPATL-WRWORJQWSA-N -1 2 391.649 2.926 20 0 GFADLM CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC000833661023 604861181 /nfs/dbraw/zinc/86/11/81/604861181.db2.gz XWFRWZKVGBQHIZ-UHFFFAOYSA-N -1 2 399.396 2.741 20 0 GFADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000833741716 605127322 /nfs/dbraw/zinc/12/73/22/605127322.db2.gz VRPYZXQLGOIXDR-UHFFFAOYSA-N -1 2 380.447 2.785 20 0 GFADLM COCCOCc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000048382595 654705717 /nfs/dbraw/zinc/70/57/17/654705717.db2.gz BVTMYCAQMPNAEA-UHFFFAOYSA-N -1 2 385.463 2.719 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)sc1C(=O)[O-] ZINC000048382553 654705794 /nfs/dbraw/zinc/70/57/94/654705794.db2.gz XVZVEYAZMCGTKI-UHFFFAOYSA-N -1 2 377.447 2.800 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)sc1C(=O)[O-] ZINC000267494268 654931285 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Cc1ccc(NC(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000435491567 563652988 /nfs/dbraw/zinc/65/29/88/563652988.db2.gz TWTSZRFYMWBQNW-UHFFFAOYSA-N -1 2 383.451 2.649 20 0 GFADLM O=C([O-])c1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cccs1 ZINC000508036253 564250791 /nfs/dbraw/zinc/25/07/91/564250791.db2.gz QJZXLFTZKXHYBY-UHFFFAOYSA-N -1 2 384.504 2.800 20 0 GFADLM CCc1oncc1NS(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000509376964 564294706 /nfs/dbraw/zinc/29/47/06/564294706.db2.gz VGFMXEVXDPJKDL-UHFFFAOYSA-N -1 2 389.227 2.807 20 0 GFADLM Cc1c(NC(=O)N(C)C)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000475827432 564322313 /nfs/dbraw/zinc/32/23/13/564322313.db2.gz COTLMAHEAPPKOZ-UHFFFAOYSA-N -1 2 383.451 2.649 20 0 GFADLM COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000544629086 564390809 /nfs/dbraw/zinc/39/08/09/564390809.db2.gz FULHCBMNXXEMLT-SNVBAGLBSA-N -1 2 383.447 2.599 20 0 GFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000479180976 564430278 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COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1C(=O)[O-] ZINC000831326841 600689057 /nfs/dbraw/zinc/68/90/57/600689057.db2.gz BEYRWHXFVZYJQW-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM Cn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1C(=O)[O-] ZINC000833055509 600815621 /nfs/dbraw/zinc/81/56/21/600815621.db2.gz KLFPCTDQYLBJEC-UHFFFAOYSA-N -1 2 382.486 2.773 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)s1 ZINC000833323915 601502788 /nfs/dbraw/zinc/50/27/88/601502788.db2.gz BPJJEQIDGCCDBU-UHFFFAOYSA-N -1 2 381.460 2.689 20 0 GFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000832869146 601502792 /nfs/dbraw/zinc/50/27/92/601502792.db2.gz ZUITWYAGQZWFNN-UHFFFAOYSA-N -1 2 389.458 2.936 20 0 GFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)cc1 ZINC000833267604 601502814 /nfs/dbraw/zinc/50/28/14/601502814.db2.gz NWIVATAQEIROPA-UHFFFAOYSA-N -1 2 389.458 2.557 20 0 GFADLM CC[C@@H](c1nnc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1)c1ccccc1 ZINC000829033886 602102580 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COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000682872022 566174935 /nfs/dbraw/zinc/17/49/35/566174935.db2.gz KVOMBOFVINXXFC-UHFFFAOYSA-N -1 2 396.368 2.978 20 0 GFADLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)Cc3ccc(F)cc3)n2)c[nH]1 ZINC000740068259 600055330 /nfs/dbraw/zinc/05/53/30/600055330.db2.gz CDYUWHKAMIQCHW-UHFFFAOYSA-N -1 2 381.410 2.917 20 0 GFADLM O=C([O-])Nc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1F ZINC000740013385 600101604 /nfs/dbraw/zinc/10/16/04/600101604.db2.gz HMLWOOUQSTYYND-UHFFFAOYSA-N -1 2 376.369 2.902 20 0 GFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000738347709 600247386 /nfs/dbraw/zinc/24/73/86/600247386.db2.gz SHJDPFPGNCQMAW-UHFFFAOYSA-N -1 2 375.450 2.879 20 0 GFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738901161 600301529 /nfs/dbraw/zinc/30/15/29/600301529.db2.gz QKRRGUBHTSVMFS-UHFFFAOYSA-N -1 2 380.470 2.991 20 0 GFADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cn1 ZINC000833273683 600672944 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O=C([O-])C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1cccs1 ZINC000833200093 601387026 /nfs/dbraw/zinc/38/70/26/601387026.db2.gz INKLAMRKXQTPDW-GFCCVEGCSA-N -1 2 375.381 2.724 20 0 GFADLM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1OC(F)F ZINC000833344712 601485472 /nfs/dbraw/zinc/48/54/72/601485472.db2.gz GULMAGJDEGJYIH-UHFFFAOYSA-N -1 2 396.730 2.975 20 0 GFADLM CC(C)Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000826913489 601501731 /nfs/dbraw/zinc/50/17/31/601501731.db2.gz XFDLOAOEROHDKT-UHFFFAOYSA-N -1 2 377.394 2.514 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)s1 ZINC000833324249 601504382 /nfs/dbraw/zinc/50/43/82/601504382.db2.gz QHMARWLOGSYSDW-UHFFFAOYSA-N -1 2 399.450 2.829 20 0 GFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000833013164 601772564 /nfs/dbraw/zinc/77/25/64/601772564.db2.gz VCNMKGAYRYOTQD-UHFFFAOYSA-N -1 2 386.499 2.745 20 0 GFADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c1 ZINC000833297991 602101822 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Cc1ccc(-c2nnc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)s2)c(C)c1 ZINC000832908497 604402486 /nfs/dbraw/zinc/40/24/86/604402486.db2.gz ZQUODSATKKZVKD-UHFFFAOYSA-N -1 2 392.462 2.659 20 0 GFADLM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1 ZINC000833775020 605202954 /nfs/dbraw/zinc/20/29/54/605202954.db2.gz SCAZSCFAGMXEOZ-UHFFFAOYSA-N -1 2 388.401 2.996 20 0 GFADLM Cc1sc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(C(=O)[O-])c1C ZINC000833757880 605303235 /nfs/dbraw/zinc/30/32/35/605303235.db2.gz ALSZNCWNXUGJME-UHFFFAOYSA-N -1 2 382.463 2.566 20 0 GFADLM O=C([O-])N[C@@H]1CCc2ncc(NS(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000834193332 606079841 /nfs/dbraw/zinc/07/98/41/606079841.db2.gz JSZWXQBXADGDFJ-LLVKDONJSA-N -1 2 381.841 2.661 20 0 GFADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000047318193 654693019 /nfs/dbraw/zinc/69/30/19/654693019.db2.gz PIMIFNBGXBASBQ-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM COCCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F ZINC000057124164 654801477 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Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000284967449 563497488 /nfs/dbraw/zinc/49/74/88/563497488.db2.gz FFEKXSLHGWPMSD-VIFPVBQESA-N -1 2 389.886 2.748 20 0 GFADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000392919605 563527661 /nfs/dbraw/zinc/52/76/61/563527661.db2.gz XLPNSCVAEKHRHO-UHFFFAOYSA-N -1 2 386.769 2.756 20 0 GFADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000436652869 563676100 /nfs/dbraw/zinc/67/61/00/563676100.db2.gz AYPHSDDAEZMMOU-UHFFFAOYSA-N -1 2 376.312 2.613 20 0 GFADLM Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1-c1ccccc1Cl ZINC000538497434 564192739 /nfs/dbraw/zinc/19/27/39/564192739.db2.gz UMBXKGHMDMNPJA-UHFFFAOYSA-N -1 2 380.813 2.661 20 0 GFADLM COc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(OC)c(C)c1OC ZINC000478707735 564412991 /nfs/dbraw/zinc/41/29/91/564412991.db2.gz YREYSBDIOXXKMR-UHFFFAOYSA-N -1 2 387.435 2.581 20 0 GFADLM Cn1cc(S(=O)(=O)Nc2cccc(Cl)c2OCC(F)F)cc1C(=O)[O-] ZINC000568436701 564418244 /nfs/dbraw/zinc/41/82/44/564418244.db2.gz ZHPVQLVBMCAMRA-UHFFFAOYSA-N -1 2 394.783 2.821 20 0 GFADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000547547032 564492475 /nfs/dbraw/zinc/49/24/75/564492475.db2.gz KSNSALFMQIOATQ-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000516617860 564507297 /nfs/dbraw/zinc/50/72/97/564507297.db2.gz BVEHJYUEENMHLD-UHFFFAOYSA-N -1 2 384.435 2.523 20 0 GFADLM COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000548193605 564534749 /nfs/dbraw/zinc/53/47/49/564534749.db2.gz ZUHPOJMFFKBDFE-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)Cc1c(F)cccc1F ZINC000548261207 564544379 /nfs/dbraw/zinc/54/43/79/564544379.db2.gz IYYCQITYPVVTTM-UHFFFAOYSA-N -1 2 375.324 2.753 20 0 GFADLM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000571680370 564561373 /nfs/dbraw/zinc/56/13/73/564561373.db2.gz VIQTWYDXEWARGA-SFYZADRCSA-N -1 2 376.634 2.991 20 0 GFADLM 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CCn1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c1C ZINC000830441062 600980786 /nfs/dbraw/zinc/98/07/86/600980786.db2.gz RYMSLWLXAYXZDH-UHFFFAOYSA-N -1 2 392.481 2.619 20 0 GFADLM Cc1nc(-c2ccc(C)c(NS(=O)(=O)c3ccc(C(=O)[O-])s3)c2)n[nH]1 ZINC000832990439 601205805 /nfs/dbraw/zinc/20/58/05/601205805.db2.gz BJMGMQQBFZLWQH-UHFFFAOYSA-N -1 2 378.435 2.649 20 0 GFADLM CCn1c(=O)c2ccc(C(=O)OCc3cc(C)c(C(=O)[O-])o3)cc2[nH]c1=S ZINC000830411741 601303196 /nfs/dbraw/zinc/30/31/96/601303196.db2.gz ICBLBTHIPXLLBR-UHFFFAOYSA-N -1 2 388.401 2.662 20 0 GFADLM CCn1nc(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1C ZINC000830440996 601362523 /nfs/dbraw/zinc/36/25/23/601362523.db2.gz NTGZXDPJOGZYSZ-UHFFFAOYSA-N -1 2 386.499 2.773 20 0 GFADLM O=C([O-])c1sccc1S(=O)(=O)Nc1cc(Br)ccc1O ZINC000833348369 601383485 /nfs/dbraw/zinc/38/34/85/601383485.db2.gz UDPBNHWQTPOKSC-UHFFFAOYSA-N -1 2 378.225 2.715 20 0 GFADLM Cc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000393077525 601770921 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O=C([O-])N1CCc2nc(NS(=O)(=O)c3cccc4cccnc43)sc2C1 ZINC000740528755 603152387 /nfs/dbraw/zinc/15/23/87/603152387.db2.gz ARVAYEGDDJSWQQ-UHFFFAOYSA-N -1 2 390.446 2.528 20 0 GFADLM Cc1ccc2c(=O)c(C(=O)N3CCC(N(CC4CC4)C(=O)[O-])CC3)c[nH]c2n1 ZINC000830438734 603475583 /nfs/dbraw/zinc/47/55/83/603475583.db2.gz LEPOLNQTJSVQAV-UHFFFAOYSA-N -1 2 384.436 2.638 20 0 GFADLM O=C([O-])NC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000832588453 603839753 /nfs/dbraw/zinc/83/97/53/603839753.db2.gz AMXPNVQGZUPIGN-ZETCQYMHSA-N -1 2 377.622 2.538 20 0 GFADLM CN(C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1)C(=O)[O-] ZINC000828253495 603840068 /nfs/dbraw/zinc/84/00/68/603840068.db2.gz NVAHNUOPJNEPHS-QMMMGPOBSA-N -1 2 391.649 2.880 20 0 GFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c1 ZINC000833317597 604403639 /nfs/dbraw/zinc/40/36/39/604403639.db2.gz XMACMXIMUVOJJB-UHFFFAOYSA-N -1 2 387.748 2.709 20 0 GFADLM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000826669714 604624090 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COC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000831434823 600689603 /nfs/dbraw/zinc/68/96/03/600689603.db2.gz FRNZJRWBKTVOCW-UHFFFAOYSA-N -1 2 387.772 2.765 20 0 GFADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000740076296 600894784 /nfs/dbraw/zinc/89/47/84/600894784.db2.gz VPSHJFXTYJIGLR-UHFFFAOYSA-N -1 2 383.735 2.598 20 0 GFADLM Cc1cc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)ccc1C(=O)[O-] ZINC000832904647 600976728 /nfs/dbraw/zinc/97/67/28/600976728.db2.gz WRDFUQVBTKKRBK-UHFFFAOYSA-N -1 2 395.506 2.936 20 0 GFADLM O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)C(F)(F)F ZINC000833164694 601442836 /nfs/dbraw/zinc/44/28/36/601442836.db2.gz VLIKCGHJXLDHFY-SNVBAGLBSA-N -1 2 379.132 2.605 20 0 GFADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000266618105 601484804 /nfs/dbraw/zinc/48/48/04/601484804.db2.gz SOFUQHAFNUVZBT-UHFFFAOYSA-N -1 2 375.809 2.831 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cs1 ZINC000833306140 601503967 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COc1ccc(S(=O)(=O)Nc2cc(F)ccc2C(C)=O)c(OC)c1C(=O)[O-] ZINC000833734824 605334329 /nfs/dbraw/zinc/33/43/29/605334329.db2.gz ZPEXEYQRSZQDJU-UHFFFAOYSA-N -1 2 397.380 2.545 20 0 GFADLM CCc1nc(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)n[nH]1 ZINC000833676415 605420950 /nfs/dbraw/zinc/42/09/50/605420950.db2.gz KPGUKQVBXRDOQV-UHFFFAOYSA-N -1 2 390.421 2.689 20 0 GFADLM Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)s1 ZINC000268813366 654987874 /nfs/dbraw/zinc/98/78/74/654987874.db2.gz UTXDZANVRDCKSZ-SNVBAGLBSA-N -1 2 376.301 2.898 20 0 GFADLM Cc1nc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000318818351 655381237 /nfs/dbraw/zinc/38/12/37/655381237.db2.gz DQIQNYRPGWQWHF-UHFFFAOYSA-N -1 2 389.202 2.791 20 0 GFADLM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1O)C1CC1 ZINC000576040669 655442376 /nfs/dbraw/zinc/44/23/76/655442376.db2.gz NUGTZZUIQYFZFN-NSHDSACASA-N -1 2 384.679 2.975 20 0 GFADLM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)cnc1Cl ZINC000767441490 656203037 /nfs/dbraw/zinc/20/30/37/656203037.db2.gz 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375.381 2.819 20 0 GFADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)cc1 ZINC000739890249 600245101 /nfs/dbraw/zinc/24/51/01/600245101.db2.gz XXLAJDHQJYFCPU-UHFFFAOYSA-N -1 2 395.506 2.557 20 0 GFADLM COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cn1 ZINC000832582792 600676941 /nfs/dbraw/zinc/67/69/41/600676941.db2.gz IZAGBBFJTXJDNV-UHFFFAOYSA-N -1 2 388.405 2.772 20 0 GFADLM CCCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cn1 ZINC000743261373 600686426 /nfs/dbraw/zinc/68/64/26/600686426.db2.gz BTWXYSYAYGNMRL-UHFFFAOYSA-N -1 2 388.243 2.555 20 0 GFADLM CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)sc2C1 ZINC000829265778 600827643 /nfs/dbraw/zinc/82/76/43/600827643.db2.gz AEYUTEWWRUTGNT-SNVBAGLBSA-N -1 2 383.495 2.886 20 0 GFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c[nH]1 ZINC000833306185 600979631 /nfs/dbraw/zinc/97/96/31/600979631.db2.gz CSXYXNAFYFGFQT-UHFFFAOYSA-N -1 2 398.803 2.551 20 0 GFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)c1C ZINC000832868285 601402548 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GFADLM COC(=O)c1sccc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000270438395 655044797 /nfs/dbraw/zinc/04/47/97/655044797.db2.gz QNUDLAHVGGVFMX-UHFFFAOYSA-N -1 2 383.447 2.743 20 0 GFADLM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000728509443 655556119 /nfs/dbraw/zinc/55/61/19/655556119.db2.gz NVGDSLBLNRNLBK-UHFFFAOYSA-N -1 2 398.238 2.616 20 0 GFADLM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000852736335 661873029 /nfs/dbraw/zinc/87/30/29/661873029.db2.gz LUOROPRBDXLPAB-NEPJUHHUSA-N -1 2 382.741 2.575 20 0 GFADLM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1c(F)cccc1Cl ZINC000852736335 661873030 /nfs/dbraw/zinc/87/30/30/661873030.db2.gz LUOROPRBDXLPAB-NEPJUHHUSA-N -1 2 382.741 2.575 20 0 GFADLM C[C@H](CCC(=O)[O-])NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000262162936 553166893 /nfs/dbraw/zinc/16/68/93/553166893.db2.gz PIEYSHYSKSGSHU-LLVKDONJSA-N -1 2 382.463 2.532 20 0 GFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc[nH]2)cc1Cl ZINC000371369312 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COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000484798443 600680358 /nfs/dbraw/zinc/68/03/58/600680358.db2.gz VUVLGCABOSBFMB-UHFFFAOYSA-N -1 2 387.417 2.688 20 0 GFADLM Cc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(-c2ccccn2)n1 ZINC000832898523 600974924 /nfs/dbraw/zinc/97/49/24/600974924.db2.gz NRDKXZQDVAHIPX-UHFFFAOYSA-N -1 2 392.824 2.728 20 0 GFADLM Cc1nc(C)c(CS(=O)(=O)[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)s1 ZINC000832995459 600975377 /nfs/dbraw/zinc/97/53/77/600975377.db2.gz ZYTWBKAATLPRSV-SNVBAGLBSA-N -1 2 384.479 2.589 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c(Cl)c1Cl ZINC000832468768 600984286 /nfs/dbraw/zinc/98/42/86/600984286.db2.gz OHLAWXONOCHZMQ-UHFFFAOYSA-N -1 2 377.205 2.896 20 0 GFADLM CCc1cnc(NS(=O)(=O)c2cc(/C=C\C(=O)[O-])cc(OC)c2OC)s1 ZINC000830299945 600985497 /nfs/dbraw/zinc/98/54/97/600985497.db2.gz ZDUDBNDGAGUYNO-WAYWQWQTSA-N -1 2 398.462 2.621 20 0 GFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000460826737 601048136 /nfs/dbraw/zinc/04/81/36/601048136.db2.gz IROIUBSRBMEQDF-UHFFFAOYSA-N -1 2 391.380 2.519 20 0 GFADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)[nH]n1 ZINC000444422158 601241021 /nfs/dbraw/zinc/24/10/21/601241021.db2.gz KIOMKEMWOXIDDU-UHFFFAOYSA-N -1 2 387.417 2.649 20 0 GFADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(OC)c1 ZINC000109417806 601830898 /nfs/dbraw/zinc/83/08/98/601830898.db2.gz DGKVYPNKHXKHGV-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM CC(C)(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000063878004 601838179 /nfs/dbraw/zinc/83/81/79/601838179.db2.gz OECHHJKZQBPSNG-UHFFFAOYSA-N -1 2 375.809 2.930 20 0 GFADLM C[C@@H](c1ccccc1)n1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC000827951273 601855670 /nfs/dbraw/zinc/85/56/70/601855670.db2.gz WRFOXOZOSFMIAZ-LBPRGKRZSA-N -1 2 387.417 2.697 20 0 GFADLM CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)[nH]n1 ZINC000829216512 602102197 /nfs/dbraw/zinc/10/21/97/602102197.db2.gz NLPAKQFIAIRVLI-GFCCVEGCSA-N -1 2 381.454 2.968 20 0 GFADLM Cc1c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccn1 ZINC000481577486 602199882 /nfs/dbraw/zinc/19/98/82/602199882.db2.gz YXWQNROZYJYUKD-UHFFFAOYSA-N -1 2 392.824 2.728 20 0 GFADLM COc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)cc1C(=O)[O-] ZINC000832468515 602307883 /nfs/dbraw/zinc/30/78/83/602307883.db2.gz GGEWWWOWAHZKPM-UHFFFAOYSA-N -1 2 379.438 2.965 20 0 GFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740241925 602869340 /nfs/dbraw/zinc/86/93/40/602869340.db2.gz GNFAZNBTJSWHGW-UHFFFAOYSA-N -1 2 380.470 2.991 20 0 GFADLM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)cc1 ZINC000827914213 603042801 /nfs/dbraw/zinc/04/28/01/603042801.db2.gz IAFUIDAOORFCLM-UHFFFAOYSA-N -1 2 385.401 2.556 20 0 GFADLM O=C([O-])N1CCc2nc(NS(=O)(=O)/C=C/c3ccc(F)cc3)sc2C1 ZINC000832095092 603632301 /nfs/dbraw/zinc/63/23/01/603632301.db2.gz ZHNZTSAZCPJJNT-SOFGYWHQSA-N -1 2 383.426 2.731 20 0 GFADLM Cc1cc(Br)ncc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000832858335 660803371 /nfs/dbraw/zinc/80/33/71/660803371.db2.gz CIKIUGFFCUECBS-UHFFFAOYSA-N -1 2 377.241 2.713 20 0 GFADLM CCc1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000271336592 655076420 /nfs/dbraw/zinc/07/64/20/655076420.db2.gz BXNQKVLLYGGCLJ-UHFFFAOYSA-N -1 2 377.344 2.500 20 0 GFADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000275662966 655245973 /nfs/dbraw/zinc/24/59/73/655245973.db2.gz LZVAASBOLRSUNX-UHFFFAOYSA-N -1 2 383.447 2.959 20 0 GFADLM COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000276078491 655261060 /nfs/dbraw/zinc/26/10/60/655261060.db2.gz NZIQBYHZDLMFSZ-VIFPVBQESA-N -1 2 388.829 2.581 20 0 GFADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)c1 ZINC000745978366 655757175 /nfs/dbraw/zinc/75/71/75/655757175.db2.gz UIUXKYDJZBVACM-UHFFFAOYSA-N -1 2 379.394 2.843 20 0 GFADLM Cn1ncc(NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1C(=O)[O-] ZINC000774621933 656542090 /nfs/dbraw/zinc/54/20/90/656542090.db2.gz OLSKRIALQVSKOJ-UHFFFAOYSA-N -1 2 381.357 2.531 20 0 GFADLM COc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790402170 657968821 /nfs/dbraw/zinc/96/88/21/657968821.db2.gz CLWVQXIOBYSACP-UHFFFAOYSA-N -1 2 389.788 2.995 20 0 GFADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000799744518 659220773 /nfs/dbraw/zinc/22/07/73/659220773.db2.gz DSXVNSGRENNUTO-WKEGUHRASA-N -1 2 394.198 2.859 20 0 GFADLM