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378.772 0.599 20 0 GCADLM COc1ccc(S(=O)(=O)Nc2ccnc3ncnn32)c(OC)c1C(=O)[O-] ZINC001599618038 994044060 /nfs/dbraw/zinc/04/40/60/994044060.db2.gz VCWRZSIEGMAKMT-UHFFFAOYSA-N -1 2 379.354 0.641 20 0 GCADLM COC(=O)[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])c1cc(F)ccc1F ZINC001598711000 995348484 /nfs/dbraw/zinc/34/84/84/995348484.db2.gz WUDAVMVELUMPIU-NSHDSACASA-N -1 2 389.336 0.887 20 0 GCADLM COC(=O)[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)c1ccnn1C ZINC001598713320 995374266 /nfs/dbraw/zinc/37/42/66/995374266.db2.gz LSWRXDZATXTYNN-LBPRGKRZSA-N -1 2 389.336 0.589 20 0 GCADLM COC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)[O-] ZINC001599175454 996833987 /nfs/dbraw/zinc/83/39/87/996833987.db2.gz RYVGPYHKINVIDH-NSHDSACASA-N -1 2 385.423 0.773 20 0 GCADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC001599384679 996922333 /nfs/dbraw/zinc/92/23/33/996922333.db2.gz RYKITNLJNKYZAK-UHFFFAOYSA-N -1 2 388.427 0.847 20 0 GCADLM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c1 ZINC001598921832 997580017 /nfs/dbraw/zinc/58/00/17/997580017.db2.gz AQLGGESCHKBGJU-UHFFFAOYSA-N -1 2 380.382 0.900 20 0 GCADLM COCCCNC(=C(F)C(=O)[O-])c1c(O)[nH]c(=S)n(CC(C)C)c1=O ZINC001599225930 997759179 /nfs/dbraw/zinc/75/91/79/997759179.db2.gz XIOGBYPDGLRRIL-SPQRFVMMSA-N -1 2 375.422 0.189 20 0 GCADLM COCCCNC(=C(F)C(=O)[O-])c1c(=O)[nH]c(=S)n(CC(C)C)c1O ZINC001599225930 997759191 /nfs/dbraw/zinc/75/91/91/997759191.db2.gz XIOGBYPDGLRRIL-SPQRFVMMSA-N -1 2 375.422 0.189 20 0 GCADLM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ccncc2C(=O)OC)c1 ZINC001598965554 998411256 /nfs/dbraw/zinc/41/12/56/998411256.db2.gz HGRWCBCTVYSEFQ-UHFFFAOYSA-N -1 2 394.361 0.576 20 0 GCADLM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC001598967800 998455659 /nfs/dbraw/zinc/45/56/59/998455659.db2.gz NGACTFMCRIEFKU-UHFFFAOYSA-N -1 2 380.382 0.900 20 0 GCADLM COCCn1cc(S(=O)(=O)Nc2nc(COC)c(C(=O)[O-])s2)cn1 ZINC001599272957 998568279 /nfs/dbraw/zinc/56/82/79/998568279.db2.gz RTZKMOBWCFMONK-UHFFFAOYSA-N -1 2 376.416 0.631 20 0 GCADLM COc1cc(NS(=O)(=O)C[C@H]2CCCO2)c(C(=O)[O-])cc1S(C)(=O)=O ZINC000414394190 530169418 /nfs/dbraw/zinc/16/94/18/530169418.db2.gz FFTFJRXNOHXACU-SECBINFHSA-N -1 2 393.439 0.718 20 0 GCADLM CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)s2)CC1 ZINC000298861774 530484518 /nfs/dbraw/zinc/48/45/18/530484518.db2.gz QGECFYJGRIYRRN-UHFFFAOYSA-N -1 2 375.472 0.023 20 0 GCADLM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)C[N@H+]1C1CC1 ZINC000573983020 530585714 /nfs/dbraw/zinc/58/57/14/530585714.db2.gz ZHKAHEALIHTNMM-VXGBXAGGSA-N -1 2 391.519 0.086 20 0 GCADLM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476690162 530735506 /nfs/dbraw/zinc/73/55/06/530735506.db2.gz CMEPJACEZJLHQQ-UHFFFAOYSA-N -1 2 380.411 0.698 20 0 GCADLM CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000328153563 531014990 /nfs/dbraw/zinc/01/49/90/531014990.db2.gz ORXISHGBPHDNOC-UHFFFAOYSA-N -1 2 386.407 0.799 20 0 GCADLM NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433502042 531130540 /nfs/dbraw/zinc/13/05/40/531130540.db2.gz NYMQXMOXSHHMEQ-UHFFFAOYSA-N -1 2 390.370 0.678 20 0 GCADLM Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000676212593 531136684 /nfs/dbraw/zinc/13/66/84/531136684.db2.gz DZOGMEYHQVZOFF-VIFPVBQESA-N -1 2 384.439 0.829 20 0 GCADLM O=C([O-])c1ccc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)nn1 ZINC000649398431 531142832 /nfs/dbraw/zinc/14/28/32/531142832.db2.gz GYCDWFUNOURGAB-UHFFFAOYSA-N -1 2 383.352 0.130 20 0 GCADLM O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000823595211 599359439 /nfs/dbraw/zinc/35/94/39/599359439.db2.gz ZKNRCXGTETVDBS-ZDUSSCGKSA-N -1 2 378.458 0.210 20 0 GCADLM O=S(=O)(c1ccc(-c2nn[nH]n2)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000823595210 599359640 /nfs/dbraw/zinc/35/96/40/599359640.db2.gz ZKNRCXGTETVDBS-CYBMUJFWSA-N -1 2 378.458 0.210 20 0 GCADLM O=S(=O)(c1ccc(F)c(-c2nn[nH]n2)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000823600886 599359808 /nfs/dbraw/zinc/35/98/08/599359808.db2.gz 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COc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1C(=O)N(C)C ZINC000738070037 600612611 /nfs/dbraw/zinc/61/26/11/600612611.db2.gz XZCHPKFUDLQDHT-UHFFFAOYSA-N -1 2 382.398 0.479 20 0 GCADLM CS(=O)(=O)Nc1cc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1F ZINC000326772551 600672821 /nfs/dbraw/zinc/67/28/21/600672821.db2.gz MZEWWHKNPGTVEE-UHFFFAOYSA-N -1 2 392.390 0.279 20 0 GCADLM NC(=O)c1ccn(-c2ccccc2NS(=O)(=O)c2cnn(CC(=O)[O-])c2)n1 ZINC000833087470 600682946 /nfs/dbraw/zinc/68/29/46/600682946.db2.gz IUMJQKRTGLIYIJ-UHFFFAOYSA-N -1 2 390.381 0.053 20 0 GCADLM COC(=O)N(C)Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000831199124 600684017 /nfs/dbraw/zinc/68/40/17/600684017.db2.gz YJEVXWRFKXEEBW-UHFFFAOYSA-N -1 2 382.398 0.967 20 0 GCADLM CCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000326902694 600810655 /nfs/dbraw/zinc/81/06/55/600810655.db2.gz LQGCQGOGJQBAEV-UHFFFAOYSA-N -1 2 387.439 0.822 20 0 GCADLM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)C[C@@H]1SC(=N)NC1=O ZINC000828486942 600872398 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