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(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000001738260 194132727 /nfs/dbraw/zinc/13/27/27/194132727.db2.gz LPZAHIALXLLSSL-UHFFFAOYSA-N -1 3 463.773 6.005 40 10 JKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845638 195380663 /nfs/dbraw/zinc/38/06/63/195380663.db2.gz CNFJOQXFQBGRIY-CLCZQPDDSA-N -1 3 460.599 6.101 40 10 JKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058845596 195380794 /nfs/dbraw/zinc/38/07/94/195380794.db2.gz YYGVIABIHVWPFH-YZUZCNPQSA-N -1 3 481.415 6.076 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058845683 195380806 /nfs/dbraw/zinc/38/08/06/195380806.db2.gz XMRVCYHLAVBTBK-CEYNDMKZSA-N -1 3 450.991 6.276 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058845776 195380980 /nfs/dbraw/zinc/38/09/80/195380980.db2.gz HVSDDYGRAWXXKM-VYKTZEHYSA-N -1 3 472.654 6.920 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1 ZINC000058846005 195380991 /nfs/dbraw/zinc/38/09/91/195380991.db2.gz PHAXBRMDBCTVTN-DFIYOIEZSA-N -1 3 461.543 5.531 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058845741 195381025 /nfs/dbraw/zinc/38/10/25/195381025.db2.gz KBZMZQLJISIKTR-FYQCMVGJSA-N -1 3 476.598 5.640 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058845852 195381073 /nfs/dbraw/zinc/38/10/73/195381073.db2.gz UPNBUEZYRMMKIL-XXAUWVGASA-N -1 3 476.598 5.640 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058845984 195381110 /nfs/dbraw/zinc/38/11/10/195381110.db2.gz UNYUIFOFNWYPEQ-OREGWCPLSA-N -1 3 476.598 5.640 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c(C)c1 ZINC000058846207 195381281 /nfs/dbraw/zinc/38/12/81/195381281.db2.gz IZCOKDDCVSBZFF-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058846086 195381342 /nfs/dbraw/zinc/38/13/42/195381342.db2.gz BJABLFHPGONFFN-UNVFRBQDSA-N -1 3 499.463 7.183 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058846080 195381416 /nfs/dbraw/zinc/38/14/16/195381416.db2.gz ONLIGUCVTVDAEY-OUDXUNEISA-N -1 3 499.463 7.183 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1 ZINC000058846008 195381470 /nfs/dbraw/zinc/38/14/70/195381470.db2.gz MWRQHNNDKHQXFR-SGIRGMQISA-N -1 3 461.543 5.531 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2 ZINC000058846105 195381518 /nfs/dbraw/zinc/38/15/18/195381518.db2.gz TXKLPWPMFZOFOZ-ISCCLHIJSA-N -1 3 460.599 5.885 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846453 195381643 /nfs/dbraw/zinc/38/16/43/195381643.db2.gz TVQDDEPZURYDPN-QHWMMSMNSA-N -1 3 460.599 5.939 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058846430 195381699 /nfs/dbraw/zinc/38/16/99/195381699.db2.gz RISXSQWCYXPSGM-OUDXUNEISA-N -1 3 499.463 7.238 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000058846333 195381812 /nfs/dbraw/zinc/38/18/12/195381812.db2.gz RBCQAAKONUAYFD-UNVFRBQDSA-N -1 3 499.463 7.238 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846813 195381957 /nfs/dbraw/zinc/38/19/57/195381957.db2.gz XEPIAJBFRUXWJH-IWVFXYMLSA-N -1 3 488.653 6.836 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1 ZINC000058846754 195382049 /nfs/dbraw/zinc/38/20/49/195382049.db2.gz JUYMTUCFZLFSIJ-XXAUWVGASA-N -1 3 462.590 6.576 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058846650 195382185 /nfs/dbraw/zinc/38/21/85/195382185.db2.gz NYSJQUVPSLHKAY-XXAUWVGASA-N -1 3 460.599 5.939 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1C ZINC000058846571 195382212 /nfs/dbraw/zinc/38/22/12/195382212.db2.gz QURFUPZZJBIMHS-PPJWLVRDSA-N -1 3 475.570 5.839 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058846984 195382489 /nfs/dbraw/zinc/38/24/89/195382489.db2.gz HNZFCGYVWNYXPO-DXMSMQRWSA-N -1 3 489.399 6.760 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846993 195382575 /nfs/dbraw/zinc/38/25/75/195382575.db2.gz REHNOGJKJBJUDB-WZOHSFFVSA-N -1 3 450.535 5.462 40 10 JKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847450 195382684 /nfs/dbraw/zinc/38/26/84/195382684.db2.gz KRBJKBIHBAWACA-YZUZCNPQSA-N -1 3 481.961 5.876 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847362 195382765 /nfs/dbraw/zinc/38/27/65/195382765.db2.gz BQLMUWUWQNNKNA-VRUMLPLGSA-N -1 3 465.018 6.584 40 10 JKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847175 195382788 /nfs/dbraw/zinc/38/27/88/195382788.db2.gz RPYYAPSOQTVNLS-CLCZQPDDSA-N -1 3 476.617 6.751 40 10 JKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058847584 195382956 /nfs/dbraw/zinc/38/29/56/195382956.db2.gz FILPWXGOMZARBR-GLDPYIMESA-N -1 3 481.961 5.876 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847559 195382970 /nfs/dbraw/zinc/38/29/70/195382970.db2.gz IHQDGMFINZLKQI-UZINWLIJSA-N -1 3 497.016 5.985 40 10 JKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058847502 195382997 /nfs/dbraw/zinc/38/29/97/195382997.db2.gz NTDAMZNYCJGAIG-GLDPYIMESA-N -1 3 454.954 6.106 40 10 JKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847604 195383089 /nfs/dbraw/zinc/38/30/89/195383089.db2.gz ZIBMUOFJBIPTHM-WZOHSFFVSA-N -1 3 480.973 5.696 40 10 JKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058847828 195383227 /nfs/dbraw/zinc/38/32/27/195383227.db2.gz BEFVCCAIKZAYRM-YZUZCNPQSA-N -1 3 489.399 6.760 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058848020 195383252 /nfs/dbraw/zinc/38/32/52/195383252.db2.gz SXYSDKGNWNVBLJ-BPYKYCOYSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058848132 195383284 /nfs/dbraw/zinc/38/32/84/195383284.db2.gz RVKJLWWSWFWLAE-BPYKYCOYSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847980 195383477 /nfs/dbraw/zinc/38/34/77/195383477.db2.gz JGXRLTUZHPWEIO-GNBJCERTSA-N -1 3 495.000 6.004 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1Cl ZINC000058848214 195383583 /nfs/dbraw/zinc/38/35/83/195383583.db2.gz RYMSJRDWMGKVHN-BPYKYCOYSA-N -1 3 485.436 6.929 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1 ZINC000058848496 195383607 /nfs/dbraw/zinc/38/36/07/195383607.db2.gz LWYNCBMWNPOOMZ-DFIYOIEZSA-N -1 3 477.542 5.231 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1 ZINC000058848430 195383616 /nfs/dbraw/zinc/38/36/16/195383616.db2.gz QQCHWTOBHPSKEC-DFIYOIEZSA-N -1 3 450.535 5.462 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1Cl ZINC000058848210 195383697 /nfs/dbraw/zinc/38/36/97/195383697.db2.gz GBFFVLLASNWJBB-BPYKYCOYSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848364 195383756 /nfs/dbraw/zinc/38/37/56/195383756.db2.gz VYWBGEWORGTBRY-SGIRGMQISA-N -1 3 484.543 6.641 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)c1 ZINC000058848811 195383959 /nfs/dbraw/zinc/38/39/59/195383959.db2.gz AWWZUCNUPKDXDF-UZINWLIJSA-N -1 3 492.597 5.340 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1 ZINC000058848867 195383979 /nfs/dbraw/zinc/38/39/79/195383979.db2.gz HLQQXNAZMFRBAM-BXTSTYNKSA-N -1 3 488.653 6.620 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c1 ZINC000058848702 195383997 /nfs/dbraw/zinc/38/39/97/195383997.db2.gz YQARUGNOIWTKBP-OBTVHEKISA-N -1 3 460.599 5.939 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)c1 ZINC000058848781 195384102 /nfs/dbraw/zinc/38/41/02/195384102.db2.gz GEICOGDNZHJQBW-UZINWLIJSA-N -1 3 462.571 5.331 40 10 JKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850107 195384942 /nfs/dbraw/zinc/38/49/42/195384942.db2.gz VXZBEURNDUGGJX-VYKTZEHYSA-N -1 3 497.576 6.375 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850226 195384989 /nfs/dbraw/zinc/38/49/89/195384989.db2.gz LXQAAFOWWPRLLG-DXMSMQRWSA-N -1 3 472.944 6.246 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1 ZINC000058850222 195385157 /nfs/dbraw/zinc/38/51/57/195385157.db2.gz RLUFNKXHVVMJPI-ISCCLHIJSA-N -1 3 497.035 7.230 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850231 195385164 /nfs/dbraw/zinc/38/51/64/195385164.db2.gz CCXPSIXSNWEILE-GLDPYIMESA-N -1 3 499.405 6.216 40 10 JKCBHM O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000002454625 526475409 /nfs/dbraw/zinc/47/54/09/526475409.db2.gz MLINSZHZLQGTFH-SXGWCWSVSA-N -1 3 497.823 5.038 40 10 JKCBHM COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1[O-] ZINC000009233860 555007171 /nfs/dbraw/zinc/00/71/71/555007171.db2.gz DWBHESLUZASRHX-MKMNVTDBSA-N -1 3 491.215 5.876 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000013361788 555387310 /nfs/dbraw/zinc/38/73/10/555387310.db2.gz BENOFBBFLVYEIC-BPYKYCOYSA-N -1 3 450.991 6.276 40 10 JKCBHM COC(=O)C=c1[n-]n(-c2ccc(F)cc2)c(=O)c1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000020287174 555755355 /nfs/dbraw/zinc/75/53/55/555755355.db2.gz BPZSLQQUBKKHLG-ONUIUJJFSA-N -1 3 488.519 5.230 40 10 JKCBHM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(Cl)cc2C)cc1 ZINC000020289135 555759909 /nfs/dbraw/zinc/75/99/09/555759909.db2.gz IGDZXRYAZBOORG-KQWNVCNZSA-N -1 3 476.920 5.702 40 10 JKCBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc2c(Cl)cccc12 ZINC000014274661 555777614 /nfs/dbraw/zinc/77/76/14/555777614.db2.gz JZDOQXRQNJXABX-UHFFFAOYSA-N -1 3 479.388 6.504 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014480436 555814449 /nfs/dbraw/zinc/81/44/49/555814449.db2.gz RDPMYCYOWHTTNY-BXTSTYNKSA-N -1 3 474.626 6.329 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014480638 555814478 /nfs/dbraw/zinc/81/44/78/555814478.db2.gz FIIDROLRDUTNHR-BXTSTYNKSA-N -1 3 474.626 6.329 40 10 JKCBHM CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)N1CCN(C)CC1)c([O-])c1ccccc21 ZINC000023292222 556038335 /nfs/dbraw/zinc/03/83/35/556038335.db2.gz WEMYAQHQZMANBN-RUZDIDTESA-N -1 3 458.558 5.114 40 10 JKCBHM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc([O-])cc3)S2)cc1 ZINC000028295143 556330183 /nfs/dbraw/zinc/33/01/83/556330183.db2.gz QZHPHTHWTODDHF-IBNIFWCESA-N -1 3 455.539 5.222 40 10 JKCBHM CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccc2ccccc2c1)c1ccc2ccccc2c1[O-] ZINC000019144527 556332087 /nfs/dbraw/zinc/33/20/87/556332087.db2.gz LIGJTOORBLXUCK-MHZLTWQESA-N -1 3 463.514 7.852 40 10 JKCBHM COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1c([O-])ccc2ccccc21 ZINC000019326410 556341834 /nfs/dbraw/zinc/34/18/34/556341834.db2.gz NBUOLMUUEUJMBW-UHFFFAOYSA-N -1 3 468.597 5.969 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)S1 ZINC000032110003 556420469 /nfs/dbraw/zinc/42/04/69/556420469.db2.gz SGMLNNQPDKUDQV-REZTVBANSA-N -1 3 455.750 5.332 40 10 JKCBHM O=[N+]([O-])c1ccc(N2N=C(c3c([O-])ccc4ccccc43)C[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000033917221 563111231 /nfs/dbraw/zinc/11/12/31/563111231.db2.gz ZORWRFJHNOZPGZ-JOCHJYFZSA-N -1 3 488.887 6.371 40 10 JKCBHM COC(=O)C=c1[n-]n(-c2ccccc2)c(=O)c1=C(C)NCCC(c1ccccc1)c1ccccc1 ZINC000100423548 569759921 /nfs/dbraw/zinc/75/99/21/569759921.db2.gz MHGSFWDNHMWABP-SGWCAAJKSA-N -1 3 467.569 5.038 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(Cl)ccc1O ZINC000224596969 569949979 /nfs/dbraw/zinc/94/99/79/569949979.db2.gz JGYXPZSWQREFAB-JWQCQUIFSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C)cc1 ZINC000224601601 569950099 /nfs/dbraw/zinc/95/00/99/569950099.db2.gz SCEHQANTUMWJQJ-FTJBHMTQSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C)cc1 ZINC000224601648 569950133 /nfs/dbraw/zinc/95/01/33/569950133.db2.gz SCEHQANTUMWJQJ-IZZNHLLZSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C)cc1 ZINC000224601695 569950146 /nfs/dbraw/zinc/95/01/46/569950146.db2.gz SCEHQANTUMWJQJ-UIOOFZCWSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(F)cc1 ZINC000224602930 569950184 /nfs/dbraw/zinc/95/01/84/569950184.db2.gz LBXJNIMFAVBLEB-DQEYMECFSA-N -1 3 458.562 5.511 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1Cl ZINC000224603092 569950232 /nfs/dbraw/zinc/95/02/32/569950232.db2.gz XWVXGCSOJWFPNI-LOSJGSFVSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1O ZINC000224604327 569950272 /nfs/dbraw/zinc/95/02/72/569950272.db2.gz LAKJZLQKCPKSBG-RPBOFIJWSA-N -1 3 456.571 5.077 40 10 JKCBHM COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c1 ZINC000224604837 569950332 /nfs/dbraw/zinc/95/03/32/569950332.db2.gz BFXFGNPFFFOSCI-UIOOFZCWSA-N -1 3 470.598 5.380 40 10 JKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224605050 569950357 /nfs/dbraw/zinc/95/03/57/569950357.db2.gz NYFALYTYEHQHFO-UIOOFZCWSA-N -1 3 470.598 5.380 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)ccc1C ZINC000224606831 569950371 /nfs/dbraw/zinc/95/03/71/569950371.db2.gz RPLBPHZEYIHOSO-KAYWLYCHSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(N(C)C)cc1 ZINC000224605850 569950378 /nfs/dbraw/zinc/95/03/78/569950378.db2.gz NYGBKXWNLFGVDM-RRPNLBNLSA-N -1 3 483.641 5.438 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C)c1C ZINC000224606664 569950396 /nfs/dbraw/zinc/95/03/96/569950396.db2.gz KGQZORNFYOWPQX-SXOMAYOGSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C)c1C ZINC000224606764 569950405 /nfs/dbraw/zinc/95/04/05/569950405.db2.gz KGQZORNFYOWPQX-SVBPBHIXSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)ccc1C ZINC000224606883 569950422 /nfs/dbraw/zinc/95/04/22/569950422.db2.gz RPLBPHZEYIHOSO-SXOMAYOGSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(N(C)C)cc1 ZINC000224605805 569950430 /nfs/dbraw/zinc/95/04/30/569950430.db2.gz NYGBKXWNLFGVDM-SXOMAYOGSA-N -1 3 483.641 5.438 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1C ZINC000224607984 569950466 /nfs/dbraw/zinc/95/04/66/569950466.db2.gz BTKHLHLYVKMUDJ-IZZNHLLZSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000224607722 569950468 /nfs/dbraw/zinc/95/04/68/569950468.db2.gz CTNFEYONGRQNHN-IAPPQJPRSA-N -1 3 482.653 6.297 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000224607774 569950485 /nfs/dbraw/zinc/95/04/85/569950485.db2.gz CTNFEYONGRQNHN-XTEPFMGCSA-N -1 3 482.653 6.297 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)ccn1 ZINC000224609646 569950521 /nfs/dbraw/zinc/95/05/21/569950521.db2.gz BFDLIHBOOMKFNR-LOSJGSFVSA-N -1 3 455.587 5.075 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)ccn1 ZINC000224609594 569950538 /nfs/dbraw/zinc/95/05/38/569950538.db2.gz BFDLIHBOOMKFNR-RPBOFIJWSA-N -1 3 455.587 5.075 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C)cn1 ZINC000224610072 569950641 /nfs/dbraw/zinc/95/06/41/569950641.db2.gz UVWOUAZIDPRTFL-LOSJGSFVSA-N -1 3 455.587 5.075 40 10 JKCBHM COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224622005 569951183 /nfs/dbraw/zinc/95/11/83/569951183.db2.gz UKWNGNHVYVSQHQ-JWQCQUIFSA-N -1 3 456.571 5.072 40 10 JKCBHM COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224622976 569951194 /nfs/dbraw/zinc/95/11/94/569951194.db2.gz VATRDQZMBZGDKK-UIOOFZCWSA-N -1 3 498.608 5.158 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccn1 ZINC000224862568 569960627 /nfs/dbraw/zinc/96/06/27/569960627.db2.gz JUUMPLLGOVMLAT-DNQXCXABSA-N -1 3 476.005 5.420 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccn1 ZINC000224862704 569960655 /nfs/dbraw/zinc/96/06/55/569960655.db2.gz JUUMPLLGOVMLAT-ZEQRLZLVSA-N -1 3 476.005 5.420 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccn1 ZINC000224862657 569960660 /nfs/dbraw/zinc/96/06/60/569960660.db2.gz JUUMPLLGOVMLAT-BJKOFHAPSA-N -1 3 476.005 5.420 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1 ZINC000224867770 569960883 /nfs/dbraw/zinc/96/08/83/569960883.db2.gz IFNMPECPTSUJAR-JWQCQUIFSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1 ZINC000224867888 569960908 /nfs/dbraw/zinc/96/09/08/569960908.db2.gz IFNMPECPTSUJAR-DQEYMECFSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000224868243 569960969 /nfs/dbraw/zinc/96/09/69/569960969.db2.gz SVPNJNDWKCVADA-UIOOFZCWSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1O ZINC000224870736 569961069 /nfs/dbraw/zinc/96/10/69/569961069.db2.gz IVENMBGNTMWFML-LOSJGSFVSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ncccc1C ZINC000224875306 569961208 /nfs/dbraw/zinc/96/12/08/569961208.db2.gz SXGIPVHSOGBCQI-RPWUZVMVSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)ccn1 ZINC000224875177 569961211 /nfs/dbraw/zinc/96/12/11/569961211.db2.gz JEKJEYVBAITMSS-LOSJGSFVSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)ccn1 ZINC000224875215 569961253 /nfs/dbraw/zinc/96/12/53/569961253.db2.gz JEKJEYVBAITMSS-DQEYMECFSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])n1-c1ccccc1 ZINC000224885589 569961847 /nfs/dbraw/zinc/96/18/47/569961847.db2.gz GTFQCAVSWSFXFX-RPWUZVMVSA-N -1 3 460.990 5.717 40 10 JKCBHM Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])n1-c1ccccc1 ZINC000224885628 569961885 /nfs/dbraw/zinc/96/18/85/569961885.db2.gz GTFQCAVSWSFXFX-BJKOFHAPSA-N -1 3 460.990 5.717 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4F)o3)SC2=S)c(Cl)c1 ZINC000408600817 569968788 /nfs/dbraw/zinc/96/87/88/569968788.db2.gz GJEQHXSORONLEW-VXLYETTFSA-N -1 3 490.940 5.733 40 10 JKCBHM Cc1cccc(N2C(=O)/C(=C\c3c([O-])ccc4ccccc34)C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000408725644 570028008 /nfs/dbraw/zinc/02/80/08/570028008.db2.gz LTGWCRXHLBTBCH-ZXVVBBHZSA-N -1 3 498.538 6.590 40 10 JKCBHM O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccccc1[O-] ZINC000408738126 570031121 /nfs/dbraw/zinc/03/11/21/570031121.db2.gz OZSHPGYGYVIYAY-CAPFRKAQSA-N -1 3 450.450 6.032 40 10 JKCBHM CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3[O-])C2=O)cc1Br ZINC000408987036 570092718 /nfs/dbraw/zinc/09/27/18/570092718.db2.gz UZQULMXQRAYLHK-XMHGGMMESA-N -1 3 462.343 6.025 40 10 JKCBHM COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c([O-])ccc2ccccc21 ZINC000409023321 570103621 /nfs/dbraw/zinc/10/36/21/570103621.db2.gz JHAKYOWWNKUUOV-MOSHPQCFSA-N -1 3 453.416 5.441 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c(Cl)c1 ZINC000409139826 570144032 /nfs/dbraw/zinc/14/40/32/570144032.db2.gz FPCUIAOGUZJJTA-OVCLIPMQSA-N -1 3 485.787 5.096 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c(Cl)c1 ZINC000409144535 570146144 /nfs/dbraw/zinc/14/61/44/570146144.db2.gz LMKMFARNYFWBHK-YBFXNURJSA-N -1 3 499.957 5.363 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)c(Cl)c1 ZINC000409145903 570146878 /nfs/dbraw/zinc/14/68/78/570146878.db2.gz QIUDLCDMZLEWOM-HYARGMPZSA-N -1 3 495.025 5.774 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c(Cl)c1 ZINC000409161288 570152112 /nfs/dbraw/zinc/15/21/12/570152112.db2.gz MKUDGDDXTDYVII-VIZOYTHASA-N -1 3 457.791 5.501 40 10 JKCBHM CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])cc21 ZINC000260910000 570163264 /nfs/dbraw/zinc/16/32/64/570163264.db2.gz BKNCYSUKIHTUBP-LOSJGSFVSA-N -1 3 456.615 5.596 40 10 JKCBHM CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])cc21 ZINC000260922724 570164421 /nfs/dbraw/zinc/16/44/21/570164421.db2.gz RHXMFSMOKOSONC-LOSJGSFVSA-N -1 3 491.060 6.249 40 10 JKCBHM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(Br)c(Cl)c1 ZINC000408529820 570187339 /nfs/dbraw/zinc/18/73/39/570187339.db2.gz ICDRZYXBZGKWNR-ZROIWOOFSA-N -1 3 483.591 5.892 40 10 JKCBHM CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1[O-] ZINC000409326636 570202293 /nfs/dbraw/zinc/20/22/93/570202293.db2.gz CSGNAZVREDWFJN-CXUHLZMHSA-N -1 3 482.446 5.681 40 10 JKCBHM CSc1cccc(N2C(=O)/C(=C/c3ccc([O-])c(I)c3)SC2=S)c1 ZINC000409326556 570202320 /nfs/dbraw/zinc/20/23/20/570202320.db2.gz CCZKQIATRDOFKW-NVNXTCNLSA-N -1 3 485.393 5.125 40 10 JKCBHM CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409329380 570203404 /nfs/dbraw/zinc/20/34/04/570203404.db2.gz FMPAMHIBHHMYPP-PXNMLYILSA-N -1 3 456.372 5.512 40 10 JKCBHM COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000408589221 570208668 /nfs/dbraw/zinc/20/86/68/570208668.db2.gz ZFCDHNVQRRXVGX-SXGWCWSVSA-N -1 3 482.252 5.051 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058845687 195380647 /nfs/dbraw/zinc/38/06/47/195380647.db2.gz NNHSHMTTWZBQLY-BPYKYCOYSA-N -1 3 450.991 6.276 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845607 195380743 /nfs/dbraw/zinc/38/07/43/195380743.db2.gz DEJXJYCMGFSRRE-UZINWLIJSA-N -1 3 462.571 5.331 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000058845705 195380768 /nfs/dbraw/zinc/38/07/68/195380768.db2.gz DOYUZJXHIXNTGQ-CEYNDMKZSA-N -1 3 495.988 6.184 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058845775 195380921 /nfs/dbraw/zinc/38/09/21/195380921.db2.gz OLQULLBZSCCJHZ-OUDXUNEISA-N -1 3 491.569 5.539 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1 ZINC000058845937 195380963 /nfs/dbraw/zinc/38/09/63/195380963.db2.gz OUVOJJLWWSUPCT-DFIYOIEZSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000058845749 195380968 /nfs/dbraw/zinc/38/09/68/195380968.db2.gz PEXXZERVDQBMIJ-CEYNDMKZSA-N -1 3 461.543 5.531 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845848 195381003 /nfs/dbraw/zinc/38/10/03/195381003.db2.gz DQYNKYOIDONCMK-CLCZQPDDSA-N -1 3 460.599 6.021 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1 ZINC000058845927 195381057 /nfs/dbraw/zinc/38/10/57/195381057.db2.gz DHMWMCGVFVBQLS-SGIRGMQISA-N -1 3 450.991 6.276 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058845773 195381098 /nfs/dbraw/zinc/38/10/98/195381098.db2.gz QSMLJGMMTOSOQH-OUDXUNEISA-N -1 3 460.555 5.351 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058845710 195381117 /nfs/dbraw/zinc/38/11/17/195381117.db2.gz BGXKFXUJHTWPIP-BPYKYCOYSA-N -1 3 495.442 6.385 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058845769 195381157 /nfs/dbraw/zinc/38/11/57/195381157.db2.gz PQINIKZDCWDGMC-VYKTZEHYSA-N -1 3 474.626 6.410 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058845765 195381180 /nfs/dbraw/zinc/38/11/80/195381180.db2.gz JCYNEJQAMSYUET-CEYNDMKZSA-N -1 3 484.543 6.641 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2 ZINC000058846107 195381314 /nfs/dbraw/zinc/38/13/14/195381314.db2.gz IPVFHLTXGQKQPZ-QHWMMSMNSA-N -1 3 460.599 5.885 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1 ZINC000058846022 195381332 /nfs/dbraw/zinc/38/13/32/195381332.db2.gz MPVGTCWQETWJIG-BXTSTYNKSA-N -1 3 474.626 6.410 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c(C)c1 ZINC000058846210 195381338 /nfs/dbraw/zinc/38/13/38/195381338.db2.gz QARPGXXHXVGNQJ-UNVFRBQDSA-N -1 3 499.463 7.238 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2 ZINC000058846061 195381365 /nfs/dbraw/zinc/38/13/65/195381365.db2.gz DXGQPXOCFOBLOW-JWZKTCGFSA-N -1 3 458.627 6.493 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1 ZINC000058846044 195381474 /nfs/dbraw/zinc/38/14/74/195381474.db2.gz QVEOMQMGXRTDJU-BXTSTYNKSA-N -1 3 472.654 6.920 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c(C)c1 ZINC000058846287 195381529 /nfs/dbraw/zinc/38/15/29/195381529.db2.gz DMSDLYQCFJKPGS-BOCWGRARSA-N -1 3 486.681 7.228 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846356 195381654 /nfs/dbraw/zinc/38/16/54/195381654.db2.gz APMPGSQIVZFYOV-TYPXCFOJSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058846489 195381757 /nfs/dbraw/zinc/38/17/57/195381757.db2.gz ZXAQEZLPLUFHLY-BOCWGRARSA-N -1 3 488.653 6.718 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1 ZINC000058846759 195381951 /nfs/dbraw/zinc/38/19/51/195381951.db2.gz KQDAOWOQALEYBH-CLCZQPDDSA-N -1 3 462.590 6.576 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846749 195381970 /nfs/dbraw/zinc/38/19/70/195381970.db2.gz RCDUCWUXOZACQP-BXTSTYNKSA-N -1 3 458.627 6.746 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058846673 195382090 /nfs/dbraw/zinc/38/20/90/195382090.db2.gz WYJRFMXDRCIEOA-SXDGJLEOSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1 ZINC000058846693 195382129 /nfs/dbraw/zinc/38/21/29/195382129.db2.gz AFGSONPRNDYDGW-UZINWLIJSA-N -1 3 475.570 5.839 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846660 195382134 /nfs/dbraw/zinc/38/21/34/195382134.db2.gz YQHDKBAFYOQUQE-CLCZQPDDSA-N -1 3 460.599 5.939 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1 ZINC000058846622 195382163 /nfs/dbraw/zinc/38/21/63/195382163.db2.gz HTALRIVLLKYROV-PPJWLVRDSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1C ZINC000058846573 195382201 /nfs/dbraw/zinc/38/22/01/195382201.db2.gz IWHGNNKIWLKINH-UZINWLIJSA-N -1 3 498.570 6.950 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846997 195382346 /nfs/dbraw/zinc/38/23/46/195382346.db2.gz VKPQSGNHAGOLOV-WZOHSFFVSA-N -1 3 450.535 5.462 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846892 195382359 /nfs/dbraw/zinc/38/23/59/195382359.db2.gz DWJJHDIMNJRXKG-WTNLLYQRSA-N -1 3 492.644 7.289 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058846971 195382365 /nfs/dbraw/zinc/38/23/65/195382365.db2.gz ILIPAAKENHCKKX-SRGWNRLKSA-N -1 3 489.399 6.760 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058847097 195382402 /nfs/dbraw/zinc/38/24/02/195382402.db2.gz ZEYUHQJNHHKUAI-GLDPYIMESA-N -1 3 489.399 6.760 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847000 195382447 /nfs/dbraw/zinc/38/24/47/195382447.db2.gz MEMPCQJDAZYPFW-LZCXECNNSA-N -1 3 464.562 5.852 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058846955 195382493 /nfs/dbraw/zinc/38/24/93/195382493.db2.gz UCURJGQUBOWVAO-SRGWNRLKSA-N -1 3 454.954 6.106 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058846963 195382564 /nfs/dbraw/zinc/38/25/64/195382564.db2.gz BBDMBVISWFAHNE-XLNZFTOWSA-N -1 3 454.954 6.106 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847123 195382580 /nfs/dbraw/zinc/38/25/80/195382580.db2.gz WPMGKECHCNPQLP-SGIRGMQISA-N -1 3 450.535 5.462 40 10 JKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847443 195382780 /nfs/dbraw/zinc/38/27/80/195382780.db2.gz YSEUKCPLXVPMGJ-SGIRGMQISA-N -1 3 495.000 5.754 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058847167 195382801 /nfs/dbraw/zinc/38/28/01/195382801.db2.gz GYOCNQCPXVLSDJ-WZOHSFFVSA-N -1 3 495.532 5.370 40 10 JKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058847371 195382805 /nfs/dbraw/zinc/38/28/05/195382805.db2.gz YCIZPMXCLHLTIF-YZUZCNPQSA-N -1 3 454.954 6.106 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847498 195383084 /nfs/dbraw/zinc/38/30/84/195383084.db2.gz PMMVWNBBYACBPU-VRUMLPLGSA-N -1 3 465.018 6.584 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847554 195383106 /nfs/dbraw/zinc/38/31/06/195383106.db2.gz MCIOQYHUDXOHOO-PPJWLVRDSA-N -1 3 481.017 6.366 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000058848168 195383246 /nfs/dbraw/zinc/38/32/46/195383246.db2.gz XEEREVLOGGGHIB-CEYNDMKZSA-N -1 3 495.988 6.184 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847887 195383289 /nfs/dbraw/zinc/38/32/89/195383289.db2.gz IXLVJLHQSRYHRV-ISCCLHIJSA-N -1 3 479.045 6.893 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2[C@H]2C=CC[C@H]21 ZINC000058847915 195383313 /nfs/dbraw/zinc/38/33/13/195383313.db2.gz LDEJRHDEAWXUQF-ANSQWYIGSA-N -1 3 481.017 6.284 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847918 195383365 /nfs/dbraw/zinc/38/33/65/195383365.db2.gz CLPGLLPKUUNUJI-LZCXECNNSA-N -1 3 481.017 6.284 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847920 195383371 /nfs/dbraw/zinc/38/33/71/195383371.db2.gz KTBFGNSIYOBUFS-LZCXECNNSA-N -1 3 481.017 6.284 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058848118 195383390 /nfs/dbraw/zinc/38/33/90/195383390.db2.gz PXTOEUJIDXFMQK-CEYNDMKZSA-N -1 3 468.981 6.415 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058848006 195383426 /nfs/dbraw/zinc/38/34/26/195383426.db2.gz TZXJAQXENVCPTQ-CEYNDMKZSA-N -1 3 468.981 6.415 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847924 195383432 /nfs/dbraw/zinc/38/34/32/195383432.db2.gz XOQNDHTZZKQKRX-OREGWCPLSA-N -1 3 495.044 6.674 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848370 195383567 /nfs/dbraw/zinc/38/35/67/195383567.db2.gz ZUZDXLIGGZRGEA-VRUMLPLGSA-N -1 3 498.570 6.950 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848327 195383573 /nfs/dbraw/zinc/38/35/73/195383573.db2.gz BWVWSZLDHQZUDE-SGIRGMQISA-N -1 3 495.442 6.385 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)cc1 ZINC000058848492 195383594 /nfs/dbraw/zinc/38/35/94/195383594.db2.gz DAMTZDHRZFELCI-OREGWCPLSA-N -1 3 492.597 5.340 40 10 JKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058848274 195383600 /nfs/dbraw/zinc/38/36/00/195383600.db2.gz WBWGZWCDDBOROR-YZUZCNPQSA-N -1 3 481.415 6.076 40 10 JKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058848338 195383634 /nfs/dbraw/zinc/38/36/34/195383634.db2.gz AQOGWWPVVKPRLB-YZUZCNPQSA-N -1 3 499.405 6.216 40 10 JKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058848289 195383766 /nfs/dbraw/zinc/38/37/66/195383766.db2.gz ZVNPSKRPWJTVQW-GLDPYIMESA-N -1 3 499.405 6.216 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1 ZINC000058848435 195383824 /nfs/dbraw/zinc/38/38/24/195383824.db2.gz CKZMXYFDLFNSDV-DFIYOIEZSA-N -1 3 466.990 5.976 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848324 195383829 /nfs/dbraw/zinc/38/38/29/195383829.db2.gz NEGZAWMSNXAUMV-SGIRGMQISA-N -1 3 495.442 6.385 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1 ZINC000058848501 195383834 /nfs/dbraw/zinc/38/38/34/195383834.db2.gz AQLHMZSVRLNLMS-SGIRGMQISA-N -1 3 477.542 5.231 40 10 JKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848816 195383963 /nfs/dbraw/zinc/38/39/63/195383963.db2.gz KECXBUACXXZKDT-PPJWLVRDSA-N -1 3 490.581 5.109 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1 ZINC000058848722 195383968 /nfs/dbraw/zinc/38/39/68/195383968.db2.gz LHAGPYFLMMKHRH-SGIRGMQISA-N -1 3 466.990 5.976 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)cc1 ZINC000058848562 195383994 /nfs/dbraw/zinc/38/39/94/195383994.db2.gz XKHDQMXDAZUSOD-JPYHZWLXSA-N -1 3 474.626 6.329 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)cc1 ZINC000058848605 195384120 /nfs/dbraw/zinc/38/41/20/195384120.db2.gz AZKOFQMRTOTPAI-XXAUWVGASA-N -1 3 476.598 5.721 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1OC ZINC000058849469 195384299 /nfs/dbraw/zinc/38/42/99/195384299.db2.gz DSISUYLCIZTOBX-OREGWCPLSA-N -1 3 476.598 5.640 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1OC ZINC000058849514 195384575 /nfs/dbraw/zinc/38/45/75/195384575.db2.gz WRAKBOUEHFLLBR-LZCXECNNSA-N -1 3 497.016 5.985 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849531 195384715 /nfs/dbraw/zinc/38/47/15/195384715.db2.gz AOZRXKGTQHYFQL-OREGWCPLSA-N -1 3 492.597 5.340 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)cc1OC ZINC000058849475 195384780 /nfs/dbraw/zinc/38/47/80/195384780.db2.gz VMSIMIMHCGFCCD-OREGWCPLSA-N -1 3 476.598 5.640 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1 ZINC000058850182 195385141 /nfs/dbraw/zinc/38/51/41/195385141.db2.gz IENOSUJYBJWXRF-DFIYOIEZSA-N -1 3 495.442 6.385 40 10 JKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850146 195385182 /nfs/dbraw/zinc/38/51/82/195385182.db2.gz PTNZOFMPKBALSC-GLDPYIMESA-N -1 3 481.415 6.076 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1 ZINC000058850266 195385345 /nfs/dbraw/zinc/38/53/45/195385345.db2.gz CQVZPXLUOBAFDJ-CEYNDMKZSA-N -1 3 484.980 6.115 40 10 JKCBHM CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])cc21 ZINC000224861423 195469214 /nfs/dbraw/zinc/46/92/14/195469214.db2.gz RHXMFSMOKOSONC-JWQCQUIFSA-N -1 3 491.060 6.249 40 10 JKCBHM Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000008819766 525960943 /nfs/dbraw/zinc/96/09/43/525960943.db2.gz CGXWARYYFVZURF-MOSHPQCFSA-N -1 3 475.035 5.754 40 10 JKCBHM O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3[O-])C[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005838595 554495007 /nfs/dbraw/zinc/49/50/07/554495007.db2.gz ULAMKFRJZLAJEZ-QHCPKHFHSA-N -1 3 488.887 6.371 40 10 JKCBHM CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4[O-])[C@@H]3C2=O)cc1 ZINC000009499960 555284706 /nfs/dbraw/zinc/28/47/06/555284706.db2.gz MKHNEAQWPHFKIP-XJUOHMSHSA-N -1 3 499.350 5.149 40 10 JKCBHM CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1=O ZINC000013787740 555619792 /nfs/dbraw/zinc/61/97/92/555619792.db2.gz PROHNLRRZLTDRT-FUDKSRODSA-N -1 3 499.350 5.149 40 10 JKCBHM CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4[O-])[C@@H]3C2=O)cc1 ZINC000013805827 555623350 /nfs/dbraw/zinc/62/33/50/555623350.db2.gz MKHNEAQWPHFKIP-FUDKSRODSA-N -1 3 499.350 5.149 40 10 JKCBHM COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000014186286 555727596 /nfs/dbraw/zinc/72/75/96/555727596.db2.gz QVEKBZROEJNLFO-KHVXQDHOSA-N -1 3 488.609 5.717 40 10 JKCBHM COC(=O)C=c1[n-]n(-c2ccc(OC)cc2)c(=O)c1=C(C)NCCC(c1ccccc1)c1ccccc1 ZINC000020287318 555755714 /nfs/dbraw/zinc/75/57/14/555755714.db2.gz AFQBFWDAEYUEKS-ANYBSYGZSA-N -1 3 497.595 5.047 40 10 JKCBHM COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Oc2ccccc2)cc1 ZINC000020287687 555756055 /nfs/dbraw/zinc/75/60/55/555756055.db2.gz HVBJMKIJPURBCH-UQQQWYQISA-N -1 3 498.564 5.740 40 10 JKCBHM COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)Nc1ccc(Oc2ccccc2)cc1 ZINC000020287687 555756058 /nfs/dbraw/zinc/75/60/58/555756058.db2.gz HVBJMKIJPURBCH-UQQQWYQISA-N -1 3 498.564 5.740 40 10 JKCBHM CCOc1ccc(N=C(C)c2c(=O)n(-c3ccc(OC)cc3)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000020289070 555759709 /nfs/dbraw/zinc/75/97/09/555759709.db2.gz RBRYZIKRYLWBNG-BWAHOGKJSA-N -1 3 457.530 5.240 40 10 JKCBHM COc1c(F)c(F)c(C(=O)NC(=S)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)c(F)c1F ZINC000014274910 555778574 /nfs/dbraw/zinc/77/85/74/555778574.db2.gz VONCIYYLTAFBBM-UHFFFAOYSA-N -1 3 496.869 5.263 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014480417 555814487 /nfs/dbraw/zinc/81/44/87/555814487.db2.gz VGHIZILQMZPQMJ-CLCZQPDDSA-N -1 3 476.598 5.721 40 10 JKCBHM CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c([O-])c(CN3CCCC3)c21 ZINC000015079889 555872172 /nfs/dbraw/zinc/87/21/72/555872172.db2.gz TWSLIANJMQHEAR-UHFFFAOYSA-N -1 3 471.395 5.239 40 10 JKCBHM CCOC(=O)c1c(CSc2ccccc2)oc2cc(Br)c([O-])c(CN3CCCC3)c21 ZINC000015079570 555872334 /nfs/dbraw/zinc/87/23/34/555872334.db2.gz IWHUQXQKTUSSQP-UHFFFAOYSA-N -1 3 490.419 5.966 40 10 JKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000015231432 555889829 /nfs/dbraw/zinc/88/98/29/555889829.db2.gz KUKPJOUNDWZZNF-OREGWCPLSA-N -1 3 476.617 6.751 40 10 JKCBHM C[N@H+](Cc1cc(Br)cc(Br)c1[O-])Cc1c([O-])ccc2ccccc21 ZINC000031666701 556401501 /nfs/dbraw/zinc/40/15/01/556401501.db2.gz MDGLBXLWXXWTIJ-UHFFFAOYSA-N -1 3 451.158 5.408 40 10 in-vitro JKCBHM C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])Cc1c([O-])ccc2ccccc21 ZINC000031666701 556401505 /nfs/dbraw/zinc/40/15/05/556401505.db2.gz MDGLBXLWXXWTIJ-UHFFFAOYSA-N -1 3 451.158 5.408 40 10 in-vitro JKCBHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(N(CC)CC)cc2)cc1 ZINC000101149374 569784603 /nfs/dbraw/zinc/78/46/03/569784603.db2.gz SDFGADUTZMUCIW-IARZGTGTSA-N -1 3 499.611 5.373 40 10 JKCBHM CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C1=O ZINC000101181685 569786341 /nfs/dbraw/zinc/78/63/41/569786341.db2.gz PROHNLRRZLTDRT-GIWBLDEGSA-N -1 3 499.350 5.149 40 10 JKCBHM COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000208673345 569875813 /nfs/dbraw/zinc/87/58/13/569875813.db2.gz YFRVPHDJPWXEQN-WQRHYEAKSA-N -1 3 472.385 5.722 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(Cl)ccc1O ZINC000224597064 569949968 /nfs/dbraw/zinc/94/99/68/569949968.db2.gz JGYXPZSWQREFAB-LOSJGSFVSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc2ccccc21 ZINC000224600459 569950035 /nfs/dbraw/zinc/95/00/35/569950035.db2.gz QUWZBAQTIGKICF-VMPREFPWSA-N -1 3 490.632 6.525 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1Cl ZINC000224603000 569950197 /nfs/dbraw/zinc/95/01/97/569950197.db2.gz XWVXGCSOJWFPNI-JWQCQUIFSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1F ZINC000224602382 569950213 /nfs/dbraw/zinc/95/02/13/569950213.db2.gz PSMLQJXJYFAQLK-JWQCQUIFSA-N -1 3 458.562 5.511 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(F)c1 ZINC000224602681 569950228 /nfs/dbraw/zinc/95/02/28/569950228.db2.gz WTRWVYLFCZJSHL-LOSJGSFVSA-N -1 3 458.562 5.511 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000224603423 569950242 /nfs/dbraw/zinc/95/02/42/569950242.db2.gz NTTPWHCAEVNNRD-JWQCQUIFSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000224603515 569950250 /nfs/dbraw/zinc/95/02/50/569950250.db2.gz NTTPWHCAEVNNRD-LOSJGSFVSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000224607400 569950508 /nfs/dbraw/zinc/95/05/08/569950508.db2.gz VYIGAWYTMXSSJX-SVBPBHIXSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000224608581 569950517 /nfs/dbraw/zinc/95/05/17/569950517.db2.gz JDBNNLKEQJNDPE-FTJBHMTQSA-N -1 3 489.044 6.334 40 10 JKCBHM COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c1 ZINC000224622555 569951168 /nfs/dbraw/zinc/95/11/68/569951168.db2.gz XZICPFIFHJYMKH-UIOOFZCWSA-N -1 3 498.608 5.158 40 10 JKCBHM COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224622088 569951172 /nfs/dbraw/zinc/95/11/72/569951172.db2.gz UKWNGNHVYVSQHQ-LOSJGSFVSA-N -1 3 456.571 5.072 40 10 JKCBHM COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224622677 569951259 /nfs/dbraw/zinc/95/12/59/569951259.db2.gz RORKYQWFPIJZFR-FTJBHMTQSA-N -1 3 498.608 5.158 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000224868127 569960912 /nfs/dbraw/zinc/96/09/12/569960912.db2.gz SVPNJNDWKCVADA-CLJLJLNGSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1C ZINC000224868033 569960925 /nfs/dbraw/zinc/96/09/25/569960925.db2.gz KTIVIOJEBXTLOC-IZZNHLLZSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(C)cc1 ZINC000224868416 569960974 /nfs/dbraw/zinc/96/09/74/569960974.db2.gz WIYPKZCDRHGQJT-UIOOFZCWSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1O ZINC000224870778 569961037 /nfs/dbraw/zinc/96/10/37/569961037.db2.gz IVENMBGNTMWFML-DQEYMECFSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1O ZINC000224870696 569961064 /nfs/dbraw/zinc/96/10/64/569961064.db2.gz IVENMBGNTMWFML-RPBOFIJWSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(F)cc1 ZINC000224869399 569961074 /nfs/dbraw/zinc/96/10/74/569961074.db2.gz VIRQAKBXHBSAQR-RPBOFIJWSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(O)cc1 ZINC000224870967 569961099 /nfs/dbraw/zinc/96/10/99/569961099.db2.gz AGGXVMUDBIFLAC-DQEYMECFSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)ccn1 ZINC000224875084 569961250 /nfs/dbraw/zinc/96/12/50/569961250.db2.gz JEKJEYVBAITMSS-JWQCQUIFSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ncccc1C ZINC000224875385 569961280 /nfs/dbraw/zinc/96/12/80/569961280.db2.gz SXGIPVHSOGBCQI-ZEQRLZLVSA-N -1 3 490.032 5.729 40 10 JKCBHM COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224885837 569961926 /nfs/dbraw/zinc/96/19/26/569961926.db2.gz ZVXMAOMXGRWNKD-DQEYMECFSA-N -1 3 491.016 5.725 40 10 JKCBHM COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224885758 569961928 /nfs/dbraw/zinc/96/19/28/569961928.db2.gz ZVXMAOMXGRWNKD-RPBOFIJWSA-N -1 3 491.016 5.725 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCC(C)C)SC2=S)c(Cl)c1 ZINC000408600456 569968505 /nfs/dbraw/zinc/96/85/05/569968505.db2.gz ZBGLJSSOYLDQRH-YBFXNURJSA-N -1 3 461.008 5.229 40 10 JKCBHM COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c([O-])ccc2ccccc21 ZINC000408892189 570066029 /nfs/dbraw/zinc/06/60/29/570066029.db2.gz HBAZVXJGEWCHSZ-MOSHPQCFSA-N -1 3 464.315 5.185 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)S1 ZINC000409078862 570120955 /nfs/dbraw/zinc/12/09/55/570120955.db2.gz DKOMGTQGDBDSBZ-OMCISZLKSA-N -1 3 490.195 5.986 40 10 JKCBHM CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409140645 570144491 /nfs/dbraw/zinc/14/44/91/570144491.db2.gz LBIZTTLQCOKUIL-BXUJETTOSA-N -1 3 461.008 5.372 40 10 JKCBHM CCOc1ccc(Cl)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409141043 570144572 /nfs/dbraw/zinc/14/45/72/570144572.db2.gz LFECIJRKBBZGHM-LICLKQGHSA-N -1 3 467.399 5.247 40 10 JKCBHM CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409141482 570144874 /nfs/dbraw/zinc/14/48/74/570144874.db2.gz JZZSHAJQKHSJNG-VCRXTVNUSA-N -1 3 461.008 5.372 40 10 JKCBHM COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc12 ZINC000409146561 570147291 /nfs/dbraw/zinc/14/72/91/570147291.db2.gz UHWPCRHGDSWHII-UDWIEESQSA-N -1 3 468.987 5.356 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)c(Cl)c1 ZINC000409149443 570148655 /nfs/dbraw/zinc/14/86/55/570148655.db2.gz GIBAVUJQYKJWFQ-KGENOOAVSA-N -1 3 480.998 5.987 40 10 JKCBHM CCn1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc21 ZINC000409184870 570160544 /nfs/dbraw/zinc/16/05/44/570160544.db2.gz YOWATRNJGMEVMJ-ODLFYWEKSA-N -1 3 455.992 5.169 40 10 JKCBHM CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])cc21 ZINC000260909995 570163193 /nfs/dbraw/zinc/16/31/93/570163193.db2.gz BKNCYSUKIHTUBP-DQEYMECFSA-N -1 3 456.615 5.596 40 10 JKCBHM CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])cc21 ZINC000260914721 570163634 /nfs/dbraw/zinc/16/36/34/570163634.db2.gz HBICLFCTJSZYDI-DQEYMECFSA-N -1 3 491.060 6.249 40 10 JKCBHM CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])cc21 ZINC000260922721 570164410 /nfs/dbraw/zinc/16/44/10/570164410.db2.gz RHXMFSMOKOSONC-DQEYMECFSA-N -1 3 491.060 6.249 40 10 JKCBHM CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1N=Cc1c(C)[n-]n(-c2cc(Cl)ccc2Cl)c1=O ZINC000408530089 570187532 /nfs/dbraw/zinc/18/75/32/570187532.db2.gz IQTKGYLBFZWEFZ-KAMYIIQDSA-N -1 3 473.364 5.140 40 10 JKCBHM Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(Br)c2ccccc12 ZINC000408535482 570190045 /nfs/dbraw/zinc/19/00/45/570190045.db2.gz SVOBEYZUKBLXBH-PDGQHHTCSA-N -1 3 454.755 6.283 40 10 JKCBHM CCN(CC)Cc1cc([C@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1[O-] ZINC000001558462 194127850 /nfs/dbraw/zinc/12/78/50/194127850.db2.gz FICSZXSNUUGUNN-MHZLTWQESA-N -1 3 465.615 5.330 40 10 JKCBHM CCOC(=O)c1[n-]c2ccccc2c1/N=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020840283 195230095 /nfs/dbraw/zinc/23/00/95/195230095.db2.gz TVTZNDXIMDIPKX-KTMFPKCZSA-N -1 3 465.557 5.731 40 10 JKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845620 195380631 /nfs/dbraw/zinc/38/06/31/195380631.db2.gz BTSPYWBALUAPRO-SGIRGMQISA-N -1 3 460.555 5.101 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058845701 195380740 /nfs/dbraw/zinc/38/07/40/195380740.db2.gz MAQMYKFVDUWRFQ-CEYNDMKZSA-N -1 3 485.436 6.929 40 10 JKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058845635 195380750 /nfs/dbraw/zinc/38/07/50/195380750.db2.gz GVYCOBSXJAMILD-GLDPYIMESA-N -1 3 470.516 6.333 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845975 195380976 /nfs/dbraw/zinc/38/09/76/195380976.db2.gz NQGFZFRLFHJWBF-CLCZQPDDSA-N -1 3 460.599 6.021 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000058845929 195380986 /nfs/dbraw/zinc/38/09/86/195380986.db2.gz RVIFPQJSSXXDML-SGIRGMQISA-N -1 3 450.991 6.276 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845858 195381015 /nfs/dbraw/zinc/38/10/15/195381015.db2.gz SZFAFLHKYNVKNT-XXAUWVGASA-N -1 3 476.598 5.640 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058845713 195381020 /nfs/dbraw/zinc/38/10/20/195381020.db2.gz RPMSUJBRTMGISF-ATLLOTDBSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1 ZINC000058845932 195381030 /nfs/dbraw/zinc/38/10/30/195381030.db2.gz MLRBFFFDALITAT-WZOHSFFVSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1 ZINC000058845921 195381092 /nfs/dbraw/zinc/38/10/92/195381092.db2.gz WKSGNUHGAIHPFT-DFIYOIEZSA-N -1 3 450.991 6.276 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1 ZINC000058845884 195381145 /nfs/dbraw/zinc/38/11/45/195381145.db2.gz JUIKFELWKKIEAJ-BXTSTYNKSA-N -1 3 474.626 6.410 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000058845888 195381206 /nfs/dbraw/zinc/38/12/06/195381206.db2.gz MUTYSHUGPORUIS-LZCXECNNSA-N -1 3 460.555 5.351 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c(C)c1 ZINC000058846262 195381352 /nfs/dbraw/zinc/38/13/52/195381352.db2.gz ISPIWJUPMVFMQC-VVZHRXSXSA-N -1 3 475.570 5.839 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 ZINC000058846135 195381441 /nfs/dbraw/zinc/38/14/41/195381441.db2.gz COMIBZMFPFSGIG-ISCCLHIJSA-N -1 3 490.625 5.894 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c(C)c1 ZINC000058846276 195381497 /nfs/dbraw/zinc/38/14/97/195381497.db2.gz SKBFRIPAAJAOCG-BOCWGRARSA-N -1 3 488.653 6.718 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846511 195381634 /nfs/dbraw/zinc/38/16/34/195381634.db2.gz PNNNEPXUBZDNET-JPYHZWLXSA-N -1 3 458.627 6.548 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1 ZINC000058846374 195381711 /nfs/dbraw/zinc/38/17/11/195381711.db2.gz BCGOETBZYDIVBA-VVZHRXSXSA-N -1 3 475.570 5.839 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058846543 195381726 /nfs/dbraw/zinc/38/17/26/195381726.db2.gz OZKXQTPPAAESTN-XXAUWVGASA-N -1 3 460.599 5.939 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846457 195381745 /nfs/dbraw/zinc/38/17/45/195381745.db2.gz KPWXJLHPHDJSJU-QHWMMSMNSA-N -1 3 460.599 5.939 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000058846478 195381753 /nfs/dbraw/zinc/38/17/53/195381753.db2.gz OCFFDPLGPVBBDB-VVZHRXSXSA-N -1 3 475.570 5.839 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058846433 195381781 /nfs/dbraw/zinc/38/17/81/195381781.db2.gz RNHZLJSMYVWOSH-UNVFRBQDSA-N -1 3 499.463 7.238 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1C ZINC000058846520 195381797 /nfs/dbraw/zinc/38/17/97/195381797.db2.gz YSCQRPMMKUGOFZ-LZCXECNNSA-N -1 3 499.463 7.238 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1 ZINC000058846384 195381826 /nfs/dbraw/zinc/38/18/26/195381826.db2.gz ZJXARWRHWBVBRJ-UNVFRBQDSA-N -1 3 498.570 6.950 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1 ZINC000058846716 195381983 /nfs/dbraw/zinc/38/19/83/195381983.db2.gz OQNIEQULHSRYFN-IWVFXYMLSA-N -1 3 488.653 6.718 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1C ZINC000058846590 195382045 /nfs/dbraw/zinc/38/20/45/195382045.db2.gz MOABFERUEJDNJO-IWVFXYMLSA-N -1 3 486.681 7.228 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1C ZINC000058846566 195382055 /nfs/dbraw/zinc/38/20/55/195382055.db2.gz GVALDADEIJIOLD-PPJWLVRDSA-N -1 3 475.570 5.839 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058846552 195382096 /nfs/dbraw/zinc/38/20/96/195382096.db2.gz DDUFWBUTUFVKAA-SXDGJLEOSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1 ZINC000058846614 195382118 /nfs/dbraw/zinc/38/21/18/195382118.db2.gz ZGFUTTVFCPNUBV-UZINWLIJSA-N -1 3 465.018 6.584 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 ZINC000058846853 195382123 /nfs/dbraw/zinc/38/21/23/195382123.db2.gz TXCBNTOSKSFKRA-CLCZQPDDSA-N -1 3 489.597 6.346 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846655 195382223 /nfs/dbraw/zinc/38/22/23/195382223.db2.gz NWZPYNDOJYGDFH-CLCZQPDDSA-N -1 3 460.599 5.939 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846602 195382229 /nfs/dbraw/zinc/38/22/29/195382229.db2.gz UOGNDLAXOMKDJD-JPYHZWLXSA-N -1 3 458.627 6.548 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058847136 195382388 /nfs/dbraw/zinc/38/23/88/195382388.db2.gz VFPADJBXKRTRTI-LZCXECNNSA-N -1 3 480.561 5.470 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847082 195382465 /nfs/dbraw/zinc/38/24/65/195382465.db2.gz UZJAVNUDNSZJSY-YZUZCNPQSA-N -1 3 454.954 6.106 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847152 195382535 /nfs/dbraw/zinc/38/25/35/195382535.db2.gz ZSACGQLVAPBYBV-GLDPYIMESA-N -1 3 488.506 6.472 40 10 JKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2[C@H]2C=CC[C@H]21 ZINC000058847015 195382571 /nfs/dbraw/zinc/38/25/71/195382571.db2.gz QQZPCRWZLHCFJN-SRGWNRLKSA-N -1 3 465.506 5.361 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058847425 195382706 /nfs/dbraw/zinc/38/27/06/195382706.db2.gz RIJAGOOXLLTJHK-UZINWLIJSA-N -1 3 497.016 5.985 40 10 JKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847378 195382785 /nfs/dbraw/zinc/38/27/85/195382785.db2.gz RJKJCPYVINIZOE-YZUZCNPQSA-N -1 3 471.409 6.621 40 10 JKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847383 195382822 /nfs/dbraw/zinc/38/28/22/195382822.db2.gz JKPCVOHQDCLHCJ-YZUZCNPQSA-N -1 3 471.409 6.621 40 10 JKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847459 195382945 /nfs/dbraw/zinc/38/29/45/195382945.db2.gz VBOZHTLURPVACP-CLCZQPDDSA-N -1 3 495.044 6.755 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847493 195383126 /nfs/dbraw/zinc/38/31/26/195383126.db2.gz DYFQWEZDPBLFLS-SGIRGMQISA-N -1 3 450.991 6.276 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848115 195383322 /nfs/dbraw/zinc/38/33/22/195383322.db2.gz YNYLDUMHCJBINX-XXAUWVGASA-N -1 3 479.045 6.893 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848108 195383354 /nfs/dbraw/zinc/38/33/54/195383354.db2.gz BJFZELWTJLTEAB-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847991 195383407 /nfs/dbraw/zinc/38/34/07/195383407.db2.gz JAWVISMOAFFJMJ-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000058847955 195383415 /nfs/dbraw/zinc/38/34/15/195383415.db2.gz MNTAOMSROFRGNN-ATLLOTDBSA-N -1 3 495.988 6.184 40 10 JKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058847826 195383473 /nfs/dbraw/zinc/38/34/73/195383473.db2.gz LJMBOKCCIUGZLI-GLDPYIMESA-N -1 3 489.399 6.760 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1Cl ZINC000058848247 195383656 /nfs/dbraw/zinc/38/36/56/195383656.db2.gz ILJMMDKKLZYLJC-CEYNDMKZSA-N -1 3 495.988 6.184 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1Cl ZINC000058848255 195383692 /nfs/dbraw/zinc/38/36/92/195383692.db2.gz XAYRMUUDWUEIOR-BPYKYCOYSA-N -1 3 495.988 6.184 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1Cl ZINC000058848264 195383702 /nfs/dbraw/zinc/38/37/02/195383702.db2.gz NUZKKPZWIZYFSZ-OUDXUNEISA-N -1 3 495.000 6.004 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 ZINC000058848504 195383724 /nfs/dbraw/zinc/38/37/24/195383724.db2.gz NCMPDMYCDDZRMU-SGIRGMQISA-N -1 3 477.542 5.231 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848281 195383762 /nfs/dbraw/zinc/38/37/62/195383762.db2.gz XLVRAWJRYOYPKM-SGIRGMQISA-N -1 3 495.442 6.385 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1 ZINC000058848521 195383798 /nfs/dbraw/zinc/38/37/98/195383798.db2.gz GALUMNZLBJQKRY-LZCXECNNSA-N -1 3 476.554 5.051 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1 ZINC000058848841 195383908 /nfs/dbraw/zinc/38/39/08/195383908.db2.gz WQRXXAIUFZOSRG-BXTSTYNKSA-N -1 3 490.625 6.110 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1 ZINC000058848550 195383944 /nfs/dbraw/zinc/38/39/44/195383944.db2.gz FKVGUIVFHZZCSM-CLCZQPDDSA-N -1 3 460.599 6.021 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 ZINC000058848705 195383974 /nfs/dbraw/zinc/38/39/74/195383974.db2.gz JITCBZNCTPCXLW-DFIYOIEZSA-N -1 3 450.535 5.462 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848788 195384040 /nfs/dbraw/zinc/38/40/40/195384040.db2.gz RQNAIOVRBPHIHB-PPJWLVRDSA-N -1 3 462.571 5.331 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1 ZINC000058848720 195384098 /nfs/dbraw/zinc/38/40/98/195384098.db2.gz VAKFKBDWAZYONW-SGIRGMQISA-N -1 3 466.990 5.976 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1OC ZINC000058849490 195384634 /nfs/dbraw/zinc/38/46/34/195384634.db2.gz JVKFKEHLUCTIEY-LZCXECNNSA-N -1 3 480.561 5.470 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850152 195385034 /nfs/dbraw/zinc/38/50/34/195385034.db2.gz UHJYRIUEYPEXTP-ATLLOTDBSA-N -1 3 468.981 6.415 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850156 195385122 /nfs/dbraw/zinc/38/51/22/195385122.db2.gz XCPLCOLXUYSBQI-CEYNDMKZSA-N -1 3 495.442 6.385 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058850072 195385129 /nfs/dbraw/zinc/38/51/29/195385129.db2.gz HMPQITCTHJNBFD-BOCWGRARSA-N -1 3 482.605 6.476 40 10 JKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850139 195385134 /nfs/dbraw/zinc/38/51/34/195385134.db2.gz YKHFLGCOFNKKOC-RHGYRFJNSA-N -1 3 454.954 6.106 40 10 JKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000032111802 520626746 /nfs/dbraw/zinc/62/67/46/520626746.db2.gz HKJDSPJRTLUHBX-VCHYOVAHSA-N -1 3 465.358 5.078 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000016691923 521273391 /nfs/dbraw/zinc/27/33/91/521273391.db2.gz SSUTWCJPVAAKNR-LUXHBGHRSA-N -1 3 496.632 6.866 40 10 JKCBHM COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000006057144 522167022 /nfs/dbraw/zinc/16/70/22/522167022.db2.gz KGZGQCMXVIVEIS-MCEYFSPLSA-N -1 3 474.582 5.409 40 10 JKCBHM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020490216 526682070 /nfs/dbraw/zinc/68/20/70/526682070.db2.gz YQDSTMNNXXOAPI-UHFFFAOYSA-N -1 3 484.021 5.061 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1 ZINC000008454108 554599323 /nfs/dbraw/zinc/59/93/23/554599323.db2.gz RUXAXBFFITZOHJ-DFIYOIEZSA-N -1 3 466.990 5.976 40 10 JKCBHM O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000008820153 554706607 /nfs/dbraw/zinc/70/66/07/554706607.db2.gz XFGHNKZLEIDNJG-UNOMPAQXSA-N -1 3 495.453 6.099 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)c1 ZINC000014166052 555719004 /nfs/dbraw/zinc/71/90/04/555719004.db2.gz YADXUNCPNMZVDH-OHUGHZGNSA-N -1 3 477.542 5.231 40 10 JKCBHM COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(C)cc2C)cc1 ZINC000020288913 555758990 /nfs/dbraw/zinc/75/89/90/555758990.db2.gz CKZCDRUKIWXAIK-MOHJPFBDSA-N -1 3 468.582 6.059 40 10 JKCBHM COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccc(Cl)cc2C)cc1 ZINC000020289128 555759717 /nfs/dbraw/zinc/75/97/17/555759717.db2.gz WEWPVUUERPZMAY-ULJHMMPZSA-N -1 3 461.949 5.803 40 10 JKCBHM COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000014406643 555808618 /nfs/dbraw/zinc/80/86/18/555808618.db2.gz PGMYSDQILXPRKK-UNOMPAQXSA-N -1 3 456.336 5.155 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1Cl ZINC000016313007 556134939 /nfs/dbraw/zinc/13/49/39/556134939.db2.gz IZFIAWXOALSODO-BPYKYCOYSA-N -1 3 450.991 6.276 40 10 JKCBHM CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018126933 556291617 /nfs/dbraw/zinc/29/16/17/556291617.db2.gz KDWPXBAHHVCUNV-DSITVLBTSA-N -1 3 475.976 5.237 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(Br)c2)S1 ZINC000032110005 556420510 /nfs/dbraw/zinc/42/05/10/556420510.db2.gz FFMUQHZIGSCSLM-CIAFOILYSA-N -1 3 481.371 5.288 40 10 JKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000032111770 556420521 /nfs/dbraw/zinc/42/05/21/556420521.db2.gz WEXNNARZVBGATL-VCHYOVAHSA-N -1 3 465.358 5.078 40 10 JKCBHM Cc1cccc(Nc2ccc(Nc3cccc(C)c3)c3c2C(=O)c2c([O-])ccc(O)c2C3=O)c1 ZINC000098214397 569751035 /nfs/dbraw/zinc/75/10/35/569751035.db2.gz OCZLACZXYUWXDJ-UHFFFAOYSA-N -1 3 450.494 5.977 40 10 JKCBHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4[O-])[C@@H]3C2=O)c(C)c1 ZINC000100899144 569774694 /nfs/dbraw/zinc/77/46/94/569774694.db2.gz CBAPORZLOWXHFY-FUDKSRODSA-N -1 3 483.351 5.367 40 10 JKCBHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4[O-])[C@H]3C2=O)c(C)c1 ZINC000100899147 569774750 /nfs/dbraw/zinc/77/47/50/569774750.db2.gz CBAPORZLOWXHFY-XPNTWCBSSA-N -1 3 483.351 5.367 40 10 JKCBHM COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000208671716 569875856 /nfs/dbraw/zinc/87/58/56/569875856.db2.gz XJPJAVUIJGPTEP-ZSOIEALJSA-N -1 3 456.770 5.223 40 10 JKCBHM COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(Oc2ccccc2)cc1 ZINC000112293854 569861174 /nfs/dbraw/zinc/86/11/74/569861174.db2.gz YQUZSYPIVUSZTN-UQQQWYQISA-N -1 3 459.477 5.270 40 10 JKCBHM COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(Oc2ccccc2)cc1 ZINC000113467096 569861744 /nfs/dbraw/zinc/86/17/44/569861744.db2.gz ZMWMBGQFWOZRAG-UQQQWYQISA-N -1 3 486.484 5.039 40 10 JKCBHM COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)Nc1ccc(Oc2ccccc2)cc1 ZINC000113467096 569861745 /nfs/dbraw/zinc/86/17/45/569861745.db2.gz ZMWMBGQFWOZRAG-UQQQWYQISA-N -1 3 486.484 5.039 40 10 JKCBHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2Cl)cc1 ZINC000216389717 569878638 /nfs/dbraw/zinc/87/86/38/569878638.db2.gz REOPLIDXLXJPHR-UHFFFAOYSA-N -1 3 498.048 5.370 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(Cl)ccc1O ZINC000224597107 569950029 /nfs/dbraw/zinc/95/00/29/569950029.db2.gz JGYXPZSWQREFAB-DQEYMECFSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(F)cc1 ZINC000224602882 569950190 /nfs/dbraw/zinc/95/01/90/569950190.db2.gz LBXJNIMFAVBLEB-LOSJGSFVSA-N -1 3 458.562 5.511 40 10 JKCBHM COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c1 ZINC000224604739 569950262 /nfs/dbraw/zinc/95/02/62/569950262.db2.gz BFXFGNPFFFOSCI-FTJBHMTQSA-N -1 3 470.598 5.380 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1C ZINC000224607932 569950443 /nfs/dbraw/zinc/95/04/43/569950443.db2.gz BTKHLHLYVKMUDJ-FTJBHMTQSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000224607516 569950446 /nfs/dbraw/zinc/95/04/46/569950446.db2.gz OAQMXGLLNKPHTA-FTJBHMTQSA-N -1 3 484.581 5.101 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1C ZINC000224607881 569950494 /nfs/dbraw/zinc/95/04/94/569950494.db2.gz BTKHLHLYVKMUDJ-CLJLJLNGSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000224607820 569950496 /nfs/dbraw/zinc/95/04/96/569950496.db2.gz CTNFEYONGRQNHN-XCZPVHLTSA-N -1 3 482.653 6.297 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1c(C)cccc1C ZINC000224607135 569950510 /nfs/dbraw/zinc/95/05/10/569950510.db2.gz YGHJRDBGVYTGHT-AHKZPQOWSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000224608532 569950585 /nfs/dbraw/zinc/95/05/85/569950585.db2.gz JDBNNLKEQJNDPE-CLJLJLNGSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ncccc1C ZINC000224609776 569950628 /nfs/dbraw/zinc/95/06/28/569950628.db2.gz COUUIPIXYPYIKA-DNQXCXABSA-N -1 3 455.587 5.075 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1C ZINC000224868077 569960892 /nfs/dbraw/zinc/96/08/92/569960892.db2.gz KTIVIOJEBXTLOC-UIOOFZCWSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1O ZINC000224870653 569961060 /nfs/dbraw/zinc/96/10/60/569961060.db2.gz IVENMBGNTMWFML-JWQCQUIFSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ncccc1C ZINC000224875350 569961266 /nfs/dbraw/zinc/96/12/66/569961266.db2.gz SXGIPVHSOGBCQI-BJKOFHAPSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(C)cn1 ZINC000224875483 569961289 /nfs/dbraw/zinc/96/12/89/569961289.db2.gz RTERPSJKPRWJQY-RPBOFIJWSA-N -1 3 490.032 5.729 40 10 JKCBHM COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224885737 569961874 /nfs/dbraw/zinc/96/18/74/569961874.db2.gz ZVXMAOMXGRWNKD-JWQCQUIFSA-N -1 3 491.016 5.725 40 10 JKCBHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccc5ccccc54)cc3)ccc21 ZINC000408688686 570014570 /nfs/dbraw/zinc/01/45/70/570014570.db2.gz WQBUDKWEGRIKEB-UHFFFAOYSA-N -1 3 458.539 5.342 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)S1 ZINC000408740901 570032160 /nfs/dbraw/zinc/03/21/60/570032160.db2.gz DXAFIQFEMMLNOH-LPYMAVHISA-N -1 3 492.582 5.260 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)S1 ZINC000409026929 570104694 /nfs/dbraw/zinc/10/46/94/570104694.db2.gz IEYXXPROBBYQRY-MYYYXRDXSA-N -1 3 452.535 5.678 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)c(Cl)c1 ZINC000409140546 570144378 /nfs/dbraw/zinc/14/43/78/570144378.db2.gz IXAFKQQPEPRLRM-DHDCSXOGSA-N -1 3 456.898 5.213 40 10 JKCBHM COc1ccc2ccccc2c1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409144301 570146109 /nfs/dbraw/zinc/14/61/09/570146109.db2.gz XWHQDZDSMBPFBH-UDWIEESQSA-N -1 3 468.987 5.356 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(Cl)c1 ZINC000409144677 570146219 /nfs/dbraw/zinc/14/62/19/570146219.db2.gz ZTDBQXLTZIXEJQ-YBFXNURJSA-N -1 3 499.957 5.363 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c(Cl)c1 ZINC000409145335 570146609 /nfs/dbraw/zinc/14/66/09/570146609.db2.gz OKZSVXGNYJSYMY-OVCLIPMQSA-N -1 3 457.791 5.501 40 10 JKCBHM COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(C)C ZINC000409147289 570147670 /nfs/dbraw/zinc/14/76/70/570147670.db2.gz WDENZOYXNFTWFX-JAIQZWGSSA-N -1 3 491.034 5.238 40 10 JKCBHM O=C1/C(=C/c2ccc([O-])c(I)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409178167 570157869 /nfs/dbraw/zinc/15/78/69/570157869.db2.gz JHICASUMCIYFEN-NSIKDUERSA-N -1 3 491.734 5.195 40 10 JKCBHM CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])cc21 ZINC000260910003 570163254 /nfs/dbraw/zinc/16/32/54/570163254.db2.gz BKNCYSUKIHTUBP-RPBOFIJWSA-N -1 3 456.615 5.596 40 10 JKCBHM O=C1C=CC(=[NH+][N-]c2ccc(Cl)cc2Cl)C=C1c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000409262562 570187762 /nfs/dbraw/zinc/18/77/62/570187762.db2.gz FVEZABPTOXBHLN-DQSJHHFOSA-N -1 3 471.369 7.371 40 10 JKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(Br)cc1C ZINC000408533214 570188937 /nfs/dbraw/zinc/18/89/37/570188937.db2.gz OGDZCMWGTQZAOM-YBEGLDIGSA-N -1 3 477.200 5.855 40 10 JKCBHM CCCn1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc21 ZINC000409329578 570203607 /nfs/dbraw/zinc/20/36/07/570203607.db2.gz GEWWMOSEUKMLJF-NDENLUEZSA-N -1 3 470.019 5.559 40 10 JKCBHM COC(=O)C1=C(C)N(c2cccc3ccccc32)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000408581673 570206799 /nfs/dbraw/zinc/20/67/99/570206799.db2.gz ABUQPXXITUMKMA-UYRXBGFRSA-N -1 3 464.315 5.185 40 10 JKCBHM O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000001179526 194062728 /nfs/dbraw/zinc/06/27/28/194062728.db2.gz YGTYYXHDKMMBRA-LICLKQGHSA-N -1 3 467.399 5.319 40 10 JKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004172175 194382483 /nfs/dbraw/zinc/38/24/83/194382483.db2.gz DRNRAJGKAYMMQM-WZOHSFFVSA-N -1 3 478.545 5.240 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058845693 195380773 /nfs/dbraw/zinc/38/07/73/195380773.db2.gz XVBNLXUWDXMART-BPYKYCOYSA-N -1 3 450.991 6.276 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845980 195380938 /nfs/dbraw/zinc/38/09/38/195380938.db2.gz JCZDOEPYVSYYRF-XXAUWVGASA-N -1 3 476.598 5.640 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000058845828 195381121 /nfs/dbraw/zinc/38/11/21/195381121.db2.gz POWIRYGPWOKXLF-SGIRGMQISA-N -1 3 495.442 6.385 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058845989 195381151 /nfs/dbraw/zinc/38/11/51/195381151.db2.gz TVWRYMWZGDFCHK-UZINWLIJSA-N -1 3 476.598 5.640 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058846070 195381295 /nfs/dbraw/zinc/38/12/95/195381295.db2.gz QHBSFRZEWULVIS-UNVFRBQDSA-N -1 3 465.018 6.530 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058846035 195381360 /nfs/dbraw/zinc/38/13/60/195381360.db2.gz XDDKIODOGLGVHZ-LZCXECNNSA-N -1 3 491.569 5.539 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058846074 195381381 /nfs/dbraw/zinc/38/13/81/195381381.db2.gz OJJDQMRZLZWGIG-VVZHRXSXSA-N -1 3 465.018 6.530 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058846180 195381426 /nfs/dbraw/zinc/38/14/26/195381426.db2.gz CTGRLLQJOYVMKU-FYQCMVGJSA-N -1 3 474.582 5.605 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058846246 195381492 /nfs/dbraw/zinc/38/14/92/195381492.db2.gz SURMPLVJVDLQFC-ISCCLHIJSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058846493 195381646 /nfs/dbraw/zinc/38/16/46/195381646.db2.gz SEBUZIMPJNXOAT-FYQCMVGJSA-N -1 3 474.582 5.659 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058846427 195381651 /nfs/dbraw/zinc/38/16/51/195381651.db2.gz UILPRXOITJLXLC-UNVFRBQDSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1C ZINC000058846522 195381665 /nfs/dbraw/zinc/38/16/65/195381665.db2.gz DVCPJVVIDCZFCE-UZINWLIJSA-N -1 3 499.463 7.238 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846548 195381674 /nfs/dbraw/zinc/38/16/74/195381674.db2.gz WJORRWJUAOPWCK-JWZKTCGFSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1C ZINC000058846539 195381722 /nfs/dbraw/zinc/38/17/22/195381722.db2.gz KBUUZBIBCFQGLS-UNVFRBQDSA-N -1 3 499.463 7.238 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1 ZINC000058846327 195381732 /nfs/dbraw/zinc/38/17/32/195381732.db2.gz SDRCFPQNOVGXMZ-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c1 ZINC000058846308 195381822 /nfs/dbraw/zinc/38/18/22/195381822.db2.gz RRUQVSNMBIIKRF-JWZKTCGFSA-N -1 3 458.627 6.548 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846804 195382084 /nfs/dbraw/zinc/38/20/84/195382084.db2.gz XXNVGWUFNSMVJU-BXTSTYNKSA-N -1 3 474.626 6.446 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058847106 195382328 /nfs/dbraw/zinc/38/23/28/195382328.db2.gz CTYRPSJAXCGCRK-YZUZCNPQSA-N -1 3 499.405 6.216 40 10 JKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847145 195382370 /nfs/dbraw/zinc/38/23/70/195382370.db2.gz WZXZTOHPZMWFTN-YZUZCNPQSA-N -1 3 465.506 5.361 40 10 JKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847020 195382377 /nfs/dbraw/zinc/38/23/77/195382377.db2.gz AOZJPWQLVQADTD-XLNZFTOWSA-N -1 3 465.506 5.361 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847119 195382412 /nfs/dbraw/zinc/38/24/12/195382412.db2.gz LVWNLZRYNOIRAJ-SGIRGMQISA-N -1 3 450.535 5.462 40 10 JKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058846900 195382425 /nfs/dbraw/zinc/38/24/25/195382425.db2.gz KFZOWLKDRWVFCC-FVXXUCQHSA-N -1 3 496.607 7.120 40 10 JKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847159 195382436 /nfs/dbraw/zinc/38/24/36/195382436.db2.gz NUVYKVYOIUDUJV-CLCZQPDDSA-N -1 3 478.589 6.240 40 10 JKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058846904 195382452 /nfs/dbraw/zinc/38/24/52/195382452.db2.gz VXJHFZZBNOXXMW-PVTPYKNESA-N -1 3 496.607 7.120 40 10 JKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847100 195382552 /nfs/dbraw/zinc/38/25/52/195382552.db2.gz OINXHSKPVOFIEE-GLDPYIMESA-N -1 3 499.951 6.015 40 10 JKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847376 195382715 /nfs/dbraw/zinc/38/27/15/195382715.db2.gz ILHJSMSKYFXBHU-GLDPYIMESA-N -1 3 471.409 6.621 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847423 195382718 /nfs/dbraw/zinc/38/27/18/195382718.db2.gz MWOUCHZGIUVXQR-PPJWLVRDSA-N -1 3 481.017 6.366 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847355 195382759 /nfs/dbraw/zinc/38/27/59/195382759.db2.gz WIEZTYGMIUJBPW-SGIRGMQISA-N -1 3 450.991 6.276 40 10 JKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847510 195382915 /nfs/dbraw/zinc/38/29/15/195382915.db2.gz WKQZHHDVVPVBLB-GLDPYIMESA-N -1 3 471.409 6.621 40 10 JKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847579 195382984 /nfs/dbraw/zinc/38/29/84/195382984.db2.gz VLHIQGKHULGXIP-SGIRGMQISA-N -1 3 495.000 5.754 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847549 195383029 /nfs/dbraw/zinc/38/30/29/195383029.db2.gz FJQMXWUKIRVRIG-SGIRGMQISA-N -1 3 466.990 5.976 40 10 JKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847591 195383040 /nfs/dbraw/zinc/38/30/40/195383040.db2.gz MMJZHMWQHLVDQY-YZUZCNPQSA-N -1 3 481.961 5.876 40 10 JKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058847506 195383051 /nfs/dbraw/zinc/38/30/51/195383051.db2.gz CTTBZZWHWOLYFK-YZUZCNPQSA-N -1 3 454.954 6.106 40 10 JKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847618 195383065 /nfs/dbraw/zinc/38/30/65/195383065.db2.gz FVTQZKYGECTXDH-CLCZQPDDSA-N -1 3 493.072 7.265 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058848125 195383234 /nfs/dbraw/zinc/38/32/34/195383234.db2.gz UVKSOXUYAUCOIG-CEYNDMKZSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848003 195383270 /nfs/dbraw/zinc/38/32/70/195383270.db2.gz BJZARZOLXYJARJ-XXAUWVGASA-N -1 3 479.045 6.893 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848035 195383300 /nfs/dbraw/zinc/38/33/00/195383300.db2.gz BMGKVELUNLZUAI-QHWMMSMNSA-N -1 3 495.044 6.674 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847901 195383378 /nfs/dbraw/zinc/38/33/78/195383378.db2.gz NAAZAFCUICYQNH-ATLLOTDBSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847911 195383384 /nfs/dbraw/zinc/38/33/84/195383384.db2.gz SERRRAGMLDMWHM-WZOHSFFVSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058848010 195383448 /nfs/dbraw/zinc/38/34/48/195383448.db2.gz GWPQPVOLZMEOOH-BPYKYCOYSA-N -1 3 468.981 6.415 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847999 195383454 /nfs/dbraw/zinc/38/34/54/195383454.db2.gz RMYDHRVZRWZOBH-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000058847968 195383497 /nfs/dbraw/zinc/38/34/97/195383497.db2.gz AZWUZVUGAYRITL-WZOHSFFVSA-N -1 3 495.988 6.184 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000058848173 195383556 /nfs/dbraw/zinc/38/35/56/195383556.db2.gz DGUBNVZEELMGRR-BPYKYCOYSA-N -1 3 495.988 6.184 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1Cl ZINC000058848199 195383645 /nfs/dbraw/zinc/38/36/45/195383645.db2.gz IANPSTDKXRKGJY-CEYNDMKZSA-N -1 3 468.981 6.415 40 10 JKCBHM O=S(=O)([N-]c1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058848293 195383734 /nfs/dbraw/zinc/38/37/34/195383734.db2.gz VAUCDNOHHHCXKI-YZUZCNPQSA-N -1 3 499.405 6.216 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2)N3)cc1 ZINC000058848482 195383744 /nfs/dbraw/zinc/38/37/44/195383744.db2.gz BREDKXXWWJILIX-PPJWLVRDSA-N -1 3 462.571 5.331 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1 ZINC000058848567 195383922 /nfs/dbraw/zinc/38/39/22/195383922.db2.gz KKJJENAFEWPPPQ-UZINWLIJSA-N -1 3 464.562 5.852 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)c1 ZINC000058848799 195384016 /nfs/dbraw/zinc/38/40/16/195384016.db2.gz UOOALDVPQWSOFS-XXAUWVGASA-N -1 3 492.597 5.340 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2)N3)c1 ZINC000058848784 195384028 /nfs/dbraw/zinc/38/40/28/195384028.db2.gz CVSOLXMFOQNZFC-PPJWLVRDSA-N -1 3 462.571 5.331 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)c1 ZINC000058848807 195384034 /nfs/dbraw/zinc/38/40/34/195384034.db2.gz DIANVAIYGNRJMH-OREGWCPLSA-N -1 3 492.597 5.340 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1 ZINC000058848578 195384071 /nfs/dbraw/zinc/38/40/71/195384071.db2.gz DFAZLKHAWVSPNV-UZINWLIJSA-N -1 3 481.017 6.366 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1 ZINC000058848581 195384084 /nfs/dbraw/zinc/38/40/84/195384084.db2.gz WXOMMJFRYYGMAF-PPJWLVRDSA-N -1 3 481.017 6.366 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)cc1OC ZINC000058849521 195384602 /nfs/dbraw/zinc/38/46/02/195384602.db2.gz DOPFXQRIGFVEIY-VKIDHGPPSA-N -1 3 492.597 5.340 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849528 195384639 /nfs/dbraw/zinc/38/46/39/195384639.db2.gz OXSDUUGPPIEQIC-OREGWCPLSA-N -1 3 492.597 5.340 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850044 195384972 /nfs/dbraw/zinc/38/49/72/195384972.db2.gz RDRIRQOWYYYHNV-BOCWGRARSA-N -1 3 466.606 6.776 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058850050 195385098 /nfs/dbraw/zinc/38/50/98/195385098.db2.gz ZRSRAOFQVPRNBN-BOCWGRARSA-N -1 3 466.606 6.776 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000058850173 195385106 /nfs/dbraw/zinc/38/51/06/195385106.db2.gz XJIZBAYEDIOUCO-DFIYOIEZSA-N -1 3 495.442 6.385 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850230 195385110 /nfs/dbraw/zinc/38/51/10/195385110.db2.gz SRNCGKFPWBINID-RHGYRFJNSA-N -1 3 472.944 6.246 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850212 195385170 /nfs/dbraw/zinc/38/51/70/195385170.db2.gz ILPHLYRSRLZOMZ-ANSQWYIGSA-N -1 3 483.008 6.723 40 10 JKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850244 195385321 /nfs/dbraw/zinc/38/53/21/195385321.db2.gz YJTOIPWXPIZOIJ-RHGYRFJNSA-N -1 3 489.399 6.760 40 10 JKCBHM Cc1ccc(N2C(=O)/C(=C\c3c([O-])ccc4ccccc43)C(=O)N(c3ccccc3)C2=S)cc1 ZINC000016292719 524919212 /nfs/dbraw/zinc/91/92/12/524919212.db2.gz ZNZSITGFEURKCB-ULJHMMPZSA-N -1 3 464.546 5.602 40 10 JKCBHM O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1[O-] ZINC000008820135 554706679 /nfs/dbraw/zinc/70/66/79/554706679.db2.gz WPZJIXGHPIWIIP-RGEXLXHISA-N -1 3 461.008 5.446 40 10 JKCBHM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c([O-])c(OC)c3)SC2=S)cc1 ZINC000009188801 554961230 /nfs/dbraw/zinc/96/12/30/554961230.db2.gz TUIPKIHWJAAHNI-YBEGLDIGSA-N -1 3 450.379 5.132 40 10 JKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1 ZINC000013388909 555394343 /nfs/dbraw/zinc/39/43/43/555394343.db2.gz NMPCNLTVYJUYKI-XLNZFTOWSA-N -1 3 465.506 5.361 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1 ZINC000009805180 555516973 /nfs/dbraw/zinc/51/69/73/555516973.db2.gz FLDAKQUJSWFVJP-SGIRGMQISA-N -1 3 466.990 5.976 40 10 JKCBHM CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2c2ccccc2)cc(Cl)c1[O-] ZINC000013914850 555646644 /nfs/dbraw/zinc/64/66/44/555646644.db2.gz ZMAJIXBKYGEWHU-ODLFYWEKSA-N -1 3 497.776 6.041 40 10 JKCBHM COC(=O)C=c1[n-]n(-c2ccc(F)cc2)c(=O)c1=C(C)NCCC(c1ccccc1)c1ccccc1 ZINC000020287320 555755732 /nfs/dbraw/zinc/75/57/32/555755732.db2.gz ACXBOBFOEPBVRQ-RRAHZORUSA-N -1 3 485.559 5.177 40 10 JKCBHM CCOc1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)cc1 ZINC000020288289 555757526 /nfs/dbraw/zinc/75/75/26/555757526.db2.gz WOGOVNUGDHGKAS-QJOMJCCJSA-N -1 3 454.555 5.832 40 10 JKCBHM CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000014406623 555808180 /nfs/dbraw/zinc/80/81/80/555808180.db2.gz VQYMJBOASRTDRP-UNOMPAQXSA-N -1 3 456.336 5.039 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014480634 555814465 /nfs/dbraw/zinc/81/44/65/555814465.db2.gz IMCMFBQOUXPULF-VYKTZEHYSA-N -1 3 474.626 6.329 40 10 JKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000016545044 556142830 /nfs/dbraw/zinc/14/28/30/556142830.db2.gz RSUTZEOEGUORSK-VYKTZEHYSA-N -1 3 487.024 7.121 40 10 JKCBHM CCN(CC)Cc1cc([C@@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1[O-] ZINC000017061432 556214710 /nfs/dbraw/zinc/21/47/10/556214710.db2.gz FICSZXSNUUGUNN-HHHXNRCGSA-N -1 3 465.615 5.330 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)S1 ZINC000027905437 556309576 /nfs/dbraw/zinc/30/95/76/556309576.db2.gz WIWGQIIUXXPHFX-LZYBPNLTSA-N -1 3 455.750 5.332 40 10 JKCBHM Cc1ccc(N2C(=O)C(=Cc3c([O-])ccc4ccccc43)C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000059484943 569605168 /nfs/dbraw/zinc/60/51/68/569605168.db2.gz ZNZYQHXZMLZENL-UHFFFAOYSA-N -1 3 478.573 5.911 40 10 JKCBHM CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C1=O ZINC000035843242 569714440 /nfs/dbraw/zinc/71/44/40/569714440.db2.gz PROHNLRRZLTDRT-XPNTWCBSSA-N -1 3 499.350 5.149 40 10 JKCBHM CCN(CC)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101157121 569784828 /nfs/dbraw/zinc/78/48/28/569784828.db2.gz KDWPXBAHHVCUNV-SDHOMARFSA-N -1 3 475.976 5.237 40 10 JKCBHM O=C1C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102761845 569822348 /nfs/dbraw/zinc/82/23/48/569822348.db2.gz NGSZVKITUOELLM-DYXWJJEUSA-N -1 3 489.742 5.404 40 10 JKCBHM O=C1C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102765171 569822787 /nfs/dbraw/zinc/82/27/87/569822787.db2.gz DWROTSDKPAMJAG-DYXWJJEUSA-N -1 3 489.742 5.404 40 10 JKCBHM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(Oc2ccccc2)cc1 ZINC000112295154 569861204 /nfs/dbraw/zinc/86/12/04/569861204.db2.gz GPDGVBBATMODIU-BWAHOGKJSA-N -1 3 456.502 6.276 40 10 JKCBHM CC(=Nc1ccc(Oc2ccccc2)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000112298746 569861300 /nfs/dbraw/zinc/86/13/00/569861300.db2.gz PWCYAJGEAYIRNK-OOAXWGSJSA-N -1 3 463.512 6.755 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc2ccccc21 ZINC000224600415 569950061 /nfs/dbraw/zinc/95/00/61/569950061.db2.gz QUWZBAQTIGKICF-URLMMPGGSA-N -1 3 490.632 6.525 40 10 JKCBHM CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224602177 569950160 /nfs/dbraw/zinc/95/01/60/569950160.db2.gz SJMHOJSSVSESNV-KAYWLYCHSA-N -1 3 468.626 5.934 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(F)cc1 ZINC000224602795 569950162 /nfs/dbraw/zinc/95/01/62/569950162.db2.gz LBXJNIMFAVBLEB-JWQCQUIFSA-N -1 3 458.562 5.511 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1Cl ZINC000224603144 569950170 /nfs/dbraw/zinc/95/01/70/569950170.db2.gz XWVXGCSOJWFPNI-DQEYMECFSA-N -1 3 475.017 6.025 40 10 JKCBHM CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224602068 569950173 /nfs/dbraw/zinc/95/01/73/569950173.db2.gz HWPBHEMMAHJFFZ-RRPNLBNLSA-N -1 3 468.626 5.934 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1F ZINC000224602474 569950186 /nfs/dbraw/zinc/95/01/86/569950186.db2.gz PSMLQJXJYFAQLK-LOSJGSFVSA-N -1 3 458.562 5.511 40 10 JKCBHM CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224602222 569950195 /nfs/dbraw/zinc/95/01/95/569950195.db2.gz SJMHOJSSVSESNV-SXOMAYOGSA-N -1 3 468.626 5.934 40 10 JKCBHM CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224601978 569950220 /nfs/dbraw/zinc/95/02/20/569950220.db2.gz HWPBHEMMAHJFFZ-KAYWLYCHSA-N -1 3 468.626 5.934 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(O)cc1 ZINC000224604487 569950238 /nfs/dbraw/zinc/95/02/38/569950238.db2.gz SJLVJBPFQMZWED-JWQCQUIFSA-N -1 3 456.571 5.077 40 10 JKCBHM COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c1 ZINC000224604693 569950244 /nfs/dbraw/zinc/95/02/44/569950244.db2.gz BFXFGNPFFFOSCI-CLJLJLNGSA-N -1 3 470.598 5.380 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(O)cc1 ZINC000224604619 569950260 /nfs/dbraw/zinc/95/02/60/569950260.db2.gz SJLVJBPFQMZWED-DQEYMECFSA-N -1 3 456.571 5.077 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000224603214 569950283 /nfs/dbraw/zinc/95/02/83/569950283.db2.gz WQXYCSUSDVKGGY-JWQCQUIFSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1O ZINC000224604376 569950296 /nfs/dbraw/zinc/95/02/96/569950296.db2.gz LAKJZLQKCPKSBG-LOSJGSFVSA-N -1 3 456.571 5.077 40 10 JKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224605002 569950351 /nfs/dbraw/zinc/95/03/51/569950351.db2.gz NYFALYTYEHQHFO-IZZNHLLZSA-N -1 3 470.598 5.380 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(N(C)C)cc1 ZINC000224605897 569950427 /nfs/dbraw/zinc/95/04/27/569950427.db2.gz NYGBKXWNLFGVDM-SVBPBHIXSA-N -1 3 483.641 5.438 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000224607671 569950456 /nfs/dbraw/zinc/95/04/56/569950456.db2.gz CTNFEYONGRQNHN-IXCJQBJRSA-N -1 3 482.653 6.297 40 10 JKCBHM COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224622039 569951143 /nfs/dbraw/zinc/95/11/43/569951143.db2.gz UKWNGNHVYVSQHQ-RPBOFIJWSA-N -1 3 456.571 5.072 40 10 JKCBHM COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224622136 569951158 /nfs/dbraw/zinc/95/11/58/569951158.db2.gz UKWNGNHVYVSQHQ-DQEYMECFSA-N -1 3 456.571 5.072 40 10 JKCBHM COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c1 ZINC000224622503 569951187 /nfs/dbraw/zinc/95/11/87/569951187.db2.gz XZICPFIFHJYMKH-IZZNHLLZSA-N -1 3 498.608 5.158 40 10 JKCBHM COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224622882 569951219 /nfs/dbraw/zinc/95/12/19/569951219.db2.gz VATRDQZMBZGDKK-FTJBHMTQSA-N -1 3 498.608 5.158 40 10 JKCBHM COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224622834 569951221 /nfs/dbraw/zinc/95/12/21/569951221.db2.gz VATRDQZMBZGDKK-CLJLJLNGSA-N -1 3 498.608 5.158 40 10 JKCBHM COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224622926 569951255 /nfs/dbraw/zinc/95/12/55/569951255.db2.gz VATRDQZMBZGDKK-IZZNHLLZSA-N -1 3 498.608 5.158 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1 ZINC000224867812 569960933 /nfs/dbraw/zinc/96/09/33/569960933.db2.gz IFNMPECPTSUJAR-RPBOFIJWSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1F ZINC000224869113 569960977 /nfs/dbraw/zinc/96/09/77/569960977.db2.gz APNREYPADFNAIG-DQEYMECFSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(F)c1 ZINC000224869255 569961019 /nfs/dbraw/zinc/96/10/19/569961019.db2.gz JLKUYZOHKGTPAP-LOSJGSFVSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(C)cc1 ZINC000224868331 569961022 /nfs/dbraw/zinc/96/10/22/569961022.db2.gz WIYPKZCDRHGQJT-FTJBHMTQSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1ccc(N2C(=O)/C(=C\c3c([O-])ccc4ccccc34)C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000408726173 570028098 /nfs/dbraw/zinc/02/80/98/570028098.db2.gz QPAGOYRIHQCZTN-ZXVVBBHZSA-N -1 3 498.538 6.590 40 10 JKCBHM CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409026502 570104604 /nfs/dbraw/zinc/10/46/04/570104604.db2.gz QWHTXRXDANUELK-LSCVHKIXSA-N -1 3 499.803 5.731 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)S1 ZINC000409026479 570104615 /nfs/dbraw/zinc/10/46/15/570104615.db2.gz QIVCYYODKDWBKN-IDUWFGFVSA-N -1 3 455.750 5.332 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)S1 ZINC000409026829 570104658 /nfs/dbraw/zinc/10/46/58/570104658.db2.gz ZECZTEKRRZMKKX-MTJSOVHGSA-N -1 3 481.371 5.288 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)S1 ZINC000409092306 570125174 /nfs/dbraw/zinc/12/51/74/570125174.db2.gz UBJSUOMTLCBUKN-FRKPEAEDSA-N -1 3 455.750 5.332 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c(Cl)c1 ZINC000409141333 570144747 /nfs/dbraw/zinc/14/47/47/570144747.db2.gz JJHNWWUWXSFQAX-YBFXNURJSA-N -1 3 499.957 5.363 40 10 JKCBHM CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409141485 570144853 /nfs/dbraw/zinc/14/48/53/570144853.db2.gz JZZSHAJQKHSJNG-YQNUULROSA-N -1 3 461.008 5.372 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)c(Cl)c1 ZINC000409142669 570145344 /nfs/dbraw/zinc/14/53/44/570145344.db2.gz CRVSSVCLSHWRFL-ODLFYWEKSA-N -1 3 472.950 5.594 40 10 JKCBHM CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409145100 570146453 /nfs/dbraw/zinc/14/64/53/570146453.db2.gz MEGXRXSVCLSOOO-FAPYRAKZSA-N -1 3 491.034 5.381 40 10 JKCBHM CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(C)C ZINC000409145337 570146594 /nfs/dbraw/zinc/14/65/94/570146594.db2.gz OLKUTRRNPJNDLA-UDWIEESQSA-N -1 3 491.034 5.381 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)SC2=S)c(Cl)c1 ZINC000409145816 570146898 /nfs/dbraw/zinc/14/68/98/570146898.db2.gz QBGCVSWULWDWMB-ODLFYWEKSA-N -1 3 461.008 5.229 40 10 JKCBHM CCOc1ccc2ccccc2c1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409149448 570148641 /nfs/dbraw/zinc/14/86/41/570148641.db2.gz GMAILKICXJBPJJ-FYJGNVAPSA-N -1 3 483.014 5.747 40 10 JKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1c2ccccc2nc2ccccc21 ZINC000408527050 570186282 /nfs/dbraw/zinc/18/62/82/570186282.db2.gz DSDFOSNBBFRHJF-ZHZULCJRSA-N -1 3 471.358 5.599 40 10 JKCBHM COc1cc(-n2[n-]c(C)c(C=Nc3ccc(Br)c4ccccc34)c2=O)ccc1Cl ZINC000408530788 570187866 /nfs/dbraw/zinc/18/78/66/570187866.db2.gz JONGJPGZXMHUCG-ATVHPVEESA-N -1 3 470.754 5.983 40 10 JKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(Br)cc1 ZINC000408533871 570189185 /nfs/dbraw/zinc/18/91/85/570189185.db2.gz PKIVAWACCJCBIU-YBEGLDIGSA-N -1 3 463.173 5.547 40 10 JKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000408536986 570190626 /nfs/dbraw/zinc/19/06/26/570190626.db2.gz YQUNFNADUBBGSD-FNAVNAMFSA-N -1 3 474.362 6.891 40 10 JKCBHM COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2cc(Br)ccc2[O-])cc1 ZINC000001717332 194131945 /nfs/dbraw/zinc/13/19/45/194131945.db2.gz KNWOWJNFHXYRBF-UHFFFAOYSA-N -1 3 455.352 5.197 40 10 JKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058845586 195380611 /nfs/dbraw/zinc/38/06/11/195380611.db2.gz FLKMIZCDGKAHJO-YZUZCNPQSA-N -1 3 481.415 6.076 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058845696 195380621 /nfs/dbraw/zinc/38/06/21/195380621.db2.gz KDYINWBBLVFQIX-OSWQYVSFSA-N -1 3 485.436 6.929 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845738 195380927 /nfs/dbraw/zinc/38/09/27/195380927.db2.gz IXYHATAWZSMFKF-ISCCLHIJSA-N -1 3 476.598 5.640 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000058845815 195380944 /nfs/dbraw/zinc/38/09/44/195380944.db2.gz PMJSLQYVQKQSDF-DFIYOIEZSA-N -1 3 495.988 6.184 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058845977 195381037 /nfs/dbraw/zinc/38/10/37/195381037.db2.gz QWVOKJMVRZHKIX-XXAUWVGASA-N -1 3 476.598 5.640 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1 ZINC000058845868 195381062 /nfs/dbraw/zinc/38/10/62/195381062.db2.gz FQVVDRRSTXAPMP-SGIRGMQISA-N -1 3 461.543 5.531 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1 ZINC000058845802 195381135 /nfs/dbraw/zinc/38/11/35/195381135.db2.gz BSCYIKBPWQMBNH-SGIRGMQISA-N -1 3 450.991 6.276 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058845734 195381169 /nfs/dbraw/zinc/38/11/69/195381169.db2.gz CICKJCVNOWEUCR-ISCCLHIJSA-N -1 3 476.598 5.640 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000058846149 195381287 /nfs/dbraw/zinc/38/12/87/195381287.db2.gz KNXFSTAMEBBWPC-QHWMMSMNSA-N -1 3 488.609 5.663 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c(C)c1 ZINC000058846199 195381301 /nfs/dbraw/zinc/38/13/01/195381301.db2.gz SLCNXRLUXIZCAI-JWZKTCGFSA-N -1 3 458.627 6.548 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058846173 195381321 /nfs/dbraw/zinc/38/13/21/195381321.db2.gz DRGHLELMSSIWHG-BOCWGRARSA-N -1 3 488.653 6.664 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058846233 195381348 /nfs/dbraw/zinc/38/13/48/195381348.db2.gz RFQGPOQUTRSAQX-TYPXCFOJSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c(C)c1 ZINC000058846226 195381368 /nfs/dbraw/zinc/38/13/68/195381368.db2.gz HWBGCEHQVQOGLK-ANSQWYIGSA-N -1 3 499.463 7.238 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c(C)c1 ZINC000058846266 195381377 /nfs/dbraw/zinc/38/13/77/195381377.db2.gz OUIBQLUOVVVDLR-UNVFRBQDSA-N -1 3 498.570 6.950 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058846077 195381389 /nfs/dbraw/zinc/38/13/89/195381389.db2.gz NUWMYHPGZYQGQZ-VVZHRXSXSA-N -1 3 465.018 6.530 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 ZINC000058846126 195381392 /nfs/dbraw/zinc/38/13/92/195381392.db2.gz BTXVIYRBWLGKMP-PFPZSTESSA-N -1 3 490.625 5.894 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[C@H]2C=CC[C@H]21 ZINC000058846230 195381431 /nfs/dbraw/zinc/38/14/31/195381431.db2.gz VMTKVYWZJXSUNI-ISCCLHIJSA-N -1 3 460.599 5.939 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4CC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846114 195381447 /nfs/dbraw/zinc/38/14/47/195381447.db2.gz AWEPBKQWCFFCSZ-VYKTZEHYSA-N -1 3 474.626 6.275 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c(C)c1 ZINC000058846280 195381512 /nfs/dbraw/zinc/38/15/12/195381512.db2.gz DCBSUTZICSRENG-FYQCMVGJSA-N -1 3 474.582 5.659 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058846361 195381611 /nfs/dbraw/zinc/38/16/11/195381611.db2.gz LMROICLCQQTUCC-ISCCLHIJSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000058846473 195381626 /nfs/dbraw/zinc/38/16/26/195381626.db2.gz SIWMTXUIKYYELV-UNVFRBQDSA-N -1 3 475.570 5.839 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846351 195381669 /nfs/dbraw/zinc/38/16/69/195381669.db2.gz VLCBUTLMRSPNSP-QHWMMSMNSA-N -1 3 460.599 5.939 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1 ZINC000058846410 195381684 /nfs/dbraw/zinc/38/16/84/195381684.db2.gz DTDNAWFUSFPZTR-BOCWGRARSA-N -1 3 486.681 7.228 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846419 195381694 /nfs/dbraw/zinc/38/16/94/195381694.db2.gz UHFUTNNQCLTSBE-JWZKTCGFSA-N -1 3 458.627 6.548 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058846358 195381803 /nfs/dbraw/zinc/38/18/03/195381803.db2.gz BNYHKZPFICEGJB-PFPZSTESSA-N -1 3 490.625 5.948 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846463 195381852 /nfs/dbraw/zinc/38/18/52/195381852.db2.gz WVFNXCUXMIFDIV-TYPXCFOJSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1 ZINC000058846619 195381938 /nfs/dbraw/zinc/38/19/38/195381938.db2.gz NTDAZVQBLSPSRZ-PPJWLVRDSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1C ZINC000058846579 195381964 /nfs/dbraw/zinc/38/19/64/195381964.db2.gz TZUSYQOTYJOTJS-OREGWCPLSA-N -1 3 474.582 5.659 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1 ZINC000058846624 195382146 /nfs/dbraw/zinc/38/21/46/195382146.db2.gz ZRACEZBOXOBMRK-LZCXECNNSA-N -1 3 499.463 7.238 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847034 195382353 /nfs/dbraw/zinc/38/23/53/195382353.db2.gz QLUNENKMLOGPFS-YYULODDRSA-N -1 3 464.518 5.182 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058847118 195382383 /nfs/dbraw/zinc/38/23/83/195382383.db2.gz DTLQAYZIJBFSGA-DFIYOIEZSA-N -1 3 450.535 5.462 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847132 195382395 /nfs/dbraw/zinc/38/23/95/195382395.db2.gz DUYAKYIFUNVFCY-UZINWLIJSA-N -1 3 480.561 5.470 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058846959 195382442 /nfs/dbraw/zinc/38/24/42/195382442.db2.gz GQKLMRVRVWUVOS-XLNZFTOWSA-N -1 3 454.954 6.106 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2[C@H]2C=CC[C@H]21 ZINC000058846988 195382519 /nfs/dbraw/zinc/38/25/19/195382519.db2.gz NZMRJRADGZSFEV-ATLLOTDBSA-N -1 3 450.535 5.462 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058847080 195382558 /nfs/dbraw/zinc/38/25/58/195382558.db2.gz ZKEVKKYHBUYJGJ-GLDPYIMESA-N -1 3 454.954 6.106 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058847435 195382693 /nfs/dbraw/zinc/38/26/93/195382693.db2.gz HSVOWAMYNQNPNK-DFIYOIEZSA-N -1 3 497.016 5.985 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847358 195382730 /nfs/dbraw/zinc/38/27/30/195382730.db2.gz FWHFSRCIGZXADO-SGIRGMQISA-N -1 3 450.991 6.276 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847163 195382741 /nfs/dbraw/zinc/38/27/41/195382741.db2.gz GLRGMMMUDNGERY-WZOHSFFVSA-N -1 3 464.518 5.182 40 10 JKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847452 195382797 /nfs/dbraw/zinc/38/27/97/195382797.db2.gz LSMHLCGEEAAIAM-YZUZCNPQSA-N -1 3 481.961 5.876 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847429 195382813 /nfs/dbraw/zinc/38/28/13/195382813.db2.gz QMQVJADMIGVQJL-UZINWLIJSA-N -1 3 497.016 5.985 40 10 JKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847518 195383034 /nfs/dbraw/zinc/38/30/34/195383034.db2.gz ZGBQFCQNEYYQTH-YZUZCNPQSA-N -1 3 471.409 6.621 40 10 JKCBHM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058847805 195383070 /nfs/dbraw/zinc/38/30/70/195383070.db2.gz UBLWPEKQVGKJGQ-YZUZCNPQSA-N -1 3 471.409 6.621 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848147 195383213 /nfs/dbraw/zinc/38/32/13/195383213.db2.gz RSIOXWBRQVRUEB-QHWMMSMNSA-N -1 3 495.044 6.674 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847883 195383258 /nfs/dbraw/zinc/38/32/58/195383258.db2.gz YTZSRXVNOZJGQA-LZCXECNNSA-N -1 3 465.018 6.584 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848031 195383293 /nfs/dbraw/zinc/38/32/93/195383293.db2.gz PAMROSROVFFVEH-VVZHRXSXSA-N -1 3 481.017 6.284 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058848089 195383318 /nfs/dbraw/zinc/38/33/18/195383318.db2.gz KGYAWAFGQBEFQN-OUDXUNEISA-N -1 3 495.000 6.004 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000058848134 195383466 /nfs/dbraw/zinc/38/34/66/195383466.db2.gz HHKADLGQDCHTEW-UNVFRBQDSA-N -1 3 481.017 6.284 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848196 195383578 /nfs/dbraw/zinc/38/35/78/195383578.db2.gz JCNMQDJTEBJMLM-XXAUWVGASA-N -1 3 479.045 6.893 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848277 195383590 /nfs/dbraw/zinc/38/35/90/195383590.db2.gz ISHOUXUGMAJPQX-SGIRGMQISA-N -1 3 495.442 6.385 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)cc1 ZINC000058848475 195383622 /nfs/dbraw/zinc/38/36/22/195383622.db2.gz KNIJCBMCIMLKHR-UZINWLIJSA-N -1 3 462.571 5.331 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)cc1 ZINC000058848488 195383628 /nfs/dbraw/zinc/38/36/28/195383628.db2.gz KDGIQEGWPLQNFW-XXAUWVGASA-N -1 3 492.597 5.340 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058848185 195383687 /nfs/dbraw/zinc/38/36/87/195383687.db2.gz URPSMCNTZXUYCZ-OUDXUNEISA-N -1 3 495.000 6.004 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848367 195383792 /nfs/dbraw/zinc/38/37/92/195383792.db2.gz ICZHWJNMTMVUPO-SGIRGMQISA-N -1 3 484.543 6.641 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1Cl ZINC000058848250 195383812 /nfs/dbraw/zinc/38/38/12/195383812.db2.gz ALJJZZLRJWMHCG-BPYKYCOYSA-N -1 3 495.988 6.184 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848224 195383818 /nfs/dbraw/zinc/38/38/18/195383818.db2.gz DHVPHLBRHROCHR-VVZHRXSXSA-N -1 3 481.017 6.284 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2)N3)cc1 ZINC000058848615 195383929 /nfs/dbraw/zinc/38/39/29/195383929.db2.gz WVRXYIHERCLQQB-CLCZQPDDSA-N -1 3 476.598 5.721 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1 ZINC000058848819 195383952 /nfs/dbraw/zinc/38/39/52/195383952.db2.gz FVWDOCFYYUDWDM-SGIRGMQISA-N -1 3 477.542 5.231 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1 ZINC000058848827 195384010 /nfs/dbraw/zinc/38/40/10/195384010.db2.gz ITQFXVVWTUSPKS-SGIRGMQISA-N -1 3 477.542 5.231 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2)N3)cc1 ZINC000058848611 195384050 /nfs/dbraw/zinc/38/40/50/195384050.db2.gz DABUYSOYINADSO-CLCZQPDDSA-N -1 3 476.598 5.721 40 10 JKCBHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058849193 195384288 /nfs/dbraw/zinc/38/42/88/195384288.db2.gz UZIZDBKSKIINSD-PVTPYKNESA-N -1 3 494.616 7.106 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1OC ZINC000058849509 195384581 /nfs/dbraw/zinc/38/45/81/195384581.db2.gz DXCQJMHBMOFNDA-LZCXECNNSA-N -1 3 497.016 5.985 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1OC ZINC000058849505 195384591 /nfs/dbraw/zinc/38/45/91/195384591.db2.gz RROPIQRVMGSBCG-ANSQWYIGSA-N -1 3 497.016 5.985 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850184 195384954 /nfs/dbraw/zinc/38/49/54/195384954.db2.gz WLCBZRZUMLFPFF-ANSQWYIGSA-N -1 3 483.008 6.669 40 10 JKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058850060 195385041 /nfs/dbraw/zinc/38/50/41/195385041.db2.gz ZTQINEDVECQOTJ-VYKTZEHYSA-N -1 3 470.569 6.606 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1 ZINC000058850208 195385081 /nfs/dbraw/zinc/38/50/81/195385081.db2.gz VKRAFOIVDJFISO-ANSQWYIGSA-N -1 3 483.008 6.723 40 10 JKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2[C@H]2C=CC[C@H]21 ZINC000058850101 195385125 /nfs/dbraw/zinc/38/51/25/195385125.db2.gz OJKSHPBEPULSSV-TYPXCFOJSA-N -1 3 497.576 6.375 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc32)S1 ZINC000032111835 519642767 /nfs/dbraw/zinc/64/27/67/519642767.db2.gz IZDNXJGQZBELEH-CIAFOILYSA-N -1 3 481.371 5.288 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000016362328 524303641 /nfs/dbraw/zinc/30/36/41/524303641.db2.gz RZLDUIBSIPFGDS-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 JKCBHM COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000008819856 554706062 /nfs/dbraw/zinc/70/60/62/554706062.db2.gz ODSQVCLHEBFOLO-MOSHPQCFSA-N -1 3 491.034 5.455 40 10 JKCBHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4[O-])[C@@H]3C2=O)c(C)c1 ZINC000009498735 555283426 /nfs/dbraw/zinc/28/34/26/555283426.db2.gz CBAPORZLOWXHFY-XJUOHMSHSA-N -1 3 483.351 5.367 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2)N3)cc1 ZINC000013634547 555543932 /nfs/dbraw/zinc/54/39/32/555543932.db2.gz HJKCHRZJESXTBA-PPJWLVRDSA-N -1 3 462.571 5.331 40 10 JKCBHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(N(CC)CC)cc2)cc1 ZINC000013777437 555617151 /nfs/dbraw/zinc/61/71/51/555617151.db2.gz SDFGADUTZMUCIW-PKTNWEFCSA-N -1 3 499.611 5.373 40 10 JKCBHM CC(=Nc1ccc(Cn2cnnc2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000020288204 555757162 /nfs/dbraw/zinc/75/71/62/555757162.db2.gz GSLGRJLVMPOXPV-MOHJPFBDSA-N -1 3 491.580 5.073 40 10 JKCBHM CCOc1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000020289073 555759578 /nfs/dbraw/zinc/75/95/78/555759578.db2.gz RVQJNHHCZMBHQP-ULJHMMPZSA-N -1 3 484.581 5.841 40 10 JKCBHM CCc1ccccc1N=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccc(OC)cc1 ZINC000020289087 555759671 /nfs/dbraw/zinc/75/96/71/555759671.db2.gz FFNLCBVATFATDV-ULJHMMPZSA-N -1 3 468.582 6.004 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCC)cc2)N3)cc1 ZINC000014480642 555814916 /nfs/dbraw/zinc/81/49/16/555814916.db2.gz SPJDHWXBDSDBOH-BXTSTYNKSA-N -1 3 490.625 6.111 40 10 JKCBHM COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2c([O-])ccc3ccccc32)cc1 ZINC000019326429 556341804 /nfs/dbraw/zinc/34/18/04/556341804.db2.gz UQKDNUZBZQVNTC-UHFFFAOYSA-N -1 3 468.597 5.969 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000008576641 562939668 /nfs/dbraw/zinc/93/96/68/562939668.db2.gz GHLGNFXLUPXCKQ-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 aggregator JKCBHM COc1ccc(-c2nc(NCc3cc(Br)ccc3[O-])sc2-c2ccc(OC)cc2)cc1 ZINC000008452379 569591058 /nfs/dbraw/zinc/59/10/58/569591058.db2.gz COQPADDEQOJUGO-UHFFFAOYSA-N -1 3 497.414 6.575 40 10 JKCBHM COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1c([O-])ccc2ccccc21 ZINC000059959338 569608242 /nfs/dbraw/zinc/60/82/42/569608242.db2.gz IUJKKZFHLBDQDW-MOSHPQCFSA-N -1 3 464.315 5.185 40 10 JKCBHM CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101025827 569779949 /nfs/dbraw/zinc/77/99/49/569779949.db2.gz KRJYEFZBUAXKED-VABKMULXSA-N -1 3 482.367 5.111 40 10 JKCBHM CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4[O-])[C@H]3C2=O)cc1 ZINC000101212917 569787307 /nfs/dbraw/zinc/78/73/07/569787307.db2.gz MKHNEAQWPHFKIP-XPNTWCBSSA-N -1 3 499.350 5.149 40 10 JKCBHM CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc([O-])c(CN3C[C@@H](C)O[C@@H](C)C3)c21 ZINC000038819018 569808045 /nfs/dbraw/zinc/80/80/45/569808045.db2.gz ATIUBVXVTHKCPI-CALCHBBNSA-N -1 3 450.579 5.433 40 10 JKCBHM CC(=Nc1ccc(Oc2ccccc2)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000113471306 569861819 /nfs/dbraw/zinc/86/18/19/569861819.db2.gz ZNOZIXVWXHYNGV-OOAXWGSJSA-N -1 3 490.519 6.524 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc2ccccc21 ZINC000224600363 569950032 /nfs/dbraw/zinc/95/00/32/569950032.db2.gz QUWZBAQTIGKICF-WDYNHAJCSA-N -1 3 490.632 6.525 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C ZINC000224601271 569950144 /nfs/dbraw/zinc/95/01/44/569950144.db2.gz ICXMJMCSUWMUQS-UIOOFZCWSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(F)c1 ZINC000224602632 569950177 /nfs/dbraw/zinc/95/01/77/569950177.db2.gz WTRWVYLFCZJSHL-RPBOFIJWSA-N -1 3 458.562 5.511 40 10 JKCBHM CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224602024 569950208 /nfs/dbraw/zinc/95/02/08/569950208.db2.gz HWPBHEMMAHJFFZ-SXOMAYOGSA-N -1 3 468.626 5.934 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(F)c1 ZINC000224602729 569950223 /nfs/dbraw/zinc/95/02/23/569950223.db2.gz WTRWVYLFCZJSHL-DQEYMECFSA-N -1 3 458.562 5.511 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C)c1C ZINC000224606712 569950375 /nfs/dbraw/zinc/95/03/75/569950375.db2.gz KGQZORNFYOWPQX-RRPNLBNLSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1c(C)cccc1C ZINC000224607044 569950503 /nfs/dbraw/zinc/95/05/03/569950503.db2.gz YGHJRDBGVYTGHT-XNMGPUDCSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000224607467 569950505 /nfs/dbraw/zinc/95/05/05/569950505.db2.gz OAQMXGLLNKPHTA-CLJLJLNGSA-N -1 3 484.581 5.101 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000224608671 569950542 /nfs/dbraw/zinc/95/05/42/569950542.db2.gz JDBNNLKEQJNDPE-UIOOFZCWSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000224608627 569950556 /nfs/dbraw/zinc/95/05/56/569950556.db2.gz JDBNNLKEQJNDPE-IZZNHLLZSA-N -1 3 489.044 6.334 40 10 JKCBHM CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609436 569950567 /nfs/dbraw/zinc/95/05/67/569950567.db2.gz YIHKKHGPQVDQPF-XTEPFMGCSA-N -1 3 482.653 6.243 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)ccn1 ZINC000224609549 569950575 /nfs/dbraw/zinc/95/05/75/569950575.db2.gz BFDLIHBOOMKFNR-JWQCQUIFSA-N -1 3 455.587 5.075 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ncccc1C ZINC000224609913 569950606 /nfs/dbraw/zinc/95/06/06/569950606.db2.gz COUUIPIXYPYIKA-ZEQRLZLVSA-N -1 3 455.587 5.075 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C)cn1 ZINC000224609975 569950626 /nfs/dbraw/zinc/95/06/26/569950626.db2.gz UVWOUAZIDPRTFL-JWQCQUIFSA-N -1 3 455.587 5.075 40 10 JKCBHM COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224622721 569951213 /nfs/dbraw/zinc/95/12/13/569951213.db2.gz RORKYQWFPIJZFR-IZZNHLLZSA-N -1 3 498.608 5.158 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1C ZINC000224867948 569960898 /nfs/dbraw/zinc/96/08/98/569960898.db2.gz KTIVIOJEBXTLOC-CLJLJLNGSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1 ZINC000224867852 569960901 /nfs/dbraw/zinc/96/09/01/569960901.db2.gz IFNMPECPTSUJAR-LOSJGSFVSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1F ZINC000224868995 569960963 /nfs/dbraw/zinc/96/09/63/569960963.db2.gz APNREYPADFNAIG-JWQCQUIFSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1F ZINC000224869032 569960999 /nfs/dbraw/zinc/96/09/99/569960999.db2.gz APNREYPADFNAIG-RPBOFIJWSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ncccc1C ZINC000224875271 569961230 /nfs/dbraw/zinc/96/12/30/569961230.db2.gz SXGIPVHSOGBCQI-DNQXCXABSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(C)cn1 ZINC000224875523 569961263 /nfs/dbraw/zinc/96/12/63/569961263.db2.gz RTERPSJKPRWJQY-LOSJGSFVSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])n1-c1ccccc1 ZINC000224885549 569961804 /nfs/dbraw/zinc/96/18/04/569961804.db2.gz GTFQCAVSWSFXFX-DNQXCXABSA-N -1 3 460.990 5.717 40 10 JKCBHM Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])n1-c1ccccc1 ZINC000224885667 569961893 /nfs/dbraw/zinc/96/18/93/569961893.db2.gz GTFQCAVSWSFXFX-ZEQRLZLVSA-N -1 3 460.990 5.717 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2c(OC(=O)c3cccc4ccccc43)ccc3ccccc32)S1 ZINC000408760357 570036690 /nfs/dbraw/zinc/03/66/90/570036690.db2.gz XFKMTYRDMGENRZ-IWIPYMOSSA-N -1 3 466.518 5.319 40 10 JKCBHM CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c([O-])ccc2ccccc21 ZINC000408894885 570066864 /nfs/dbraw/zinc/06/68/64/570066864.db2.gz SBRWLXUMUCJEEB-STZFKDTASA-N -1 3 478.342 5.575 40 10 JKCBHM COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1c([O-])ccc2ccccc21 ZINC000409024460 570104041 /nfs/dbraw/zinc/10/40/41/570104041.db2.gz SWDXXDLUBWNURZ-NDENLUEZSA-N -1 3 454.309 5.729 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)S1 ZINC000409025797 570104351 /nfs/dbraw/zinc/10/43/51/570104351.db2.gz WVIZWIPKKABCKA-NHDPSOOVSA-N -1 3 471.365 5.832 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)S1 ZINC000409082080 570121954 /nfs/dbraw/zinc/12/19/54/570121954.db2.gz RMVRYYMZRCWFRP-FRKPEAEDSA-N -1 3 455.750 5.332 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)S1 ZINC000409084244 570122559 /nfs/dbraw/zinc/12/25/59/570122559.db2.gz AQVISQMZRMHLKR-LZYBPNLTSA-N -1 3 455.750 5.332 40 10 JKCBHM CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409140648 570144515 /nfs/dbraw/zinc/14/45/15/570144515.db2.gz LBIZTTLQCOKUIL-ONDHQXCVSA-N -1 3 461.008 5.372 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3C)SC2=S)c(Cl)c1 ZINC000409141125 570144591 /nfs/dbraw/zinc/14/45/91/570144591.db2.gz MCIGFEJABDWNEM-DEDYPNTBSA-N -1 3 472.035 5.103 40 10 JKCBHM CCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC ZINC000409141925 570145011 /nfs/dbraw/zinc/14/50/11/570145011.db2.gz OQTHNINXBHDDJI-MOSHPQCFSA-N -1 3 491.034 5.382 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)c(Cl)c1 ZINC000409144333 570146165 /nfs/dbraw/zinc/14/61/65/570146165.db2.gz KRFOKYRSHVVIHR-UNOMPAQXSA-N -1 3 454.960 5.455 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)SC2=S)c(Cl)c1 ZINC000409145173 570146470 /nfs/dbraw/zinc/14/64/70/570146470.db2.gz MVDSRKPRXVCTGQ-XKZIYDEJSA-N -1 3 497.041 6.135 40 10 JKCBHM CCc1cccc2c(/C=C3\SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)c[nH]c21 ZINC000409146222 570146998 /nfs/dbraw/zinc/14/69/98/570146998.db2.gz RLBVSEOZKSRMBN-ZDLGFXPLSA-N -1 3 455.992 5.238 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)c(Cl)c1 ZINC000409162157 570152340 /nfs/dbraw/zinc/15/23/40/570152340.db2.gz SEPFUERUHNSONI-HYARGMPZSA-N -1 3 495.025 5.774 40 10 JKCBHM CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])cc21 ZINC000260914726 570163647 /nfs/dbraw/zinc/16/36/47/570163647.db2.gz HBICLFCTJSZYDI-LOSJGSFVSA-N -1 3 491.060 6.249 40 10 JKCBHM CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])cc21 ZINC000260922727 570164502 /nfs/dbraw/zinc/16/45/02/570164502.db2.gz RHXMFSMOKOSONC-RPBOFIJWSA-N -1 3 491.060 6.249 40 10 JKCBHM CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1[O-] ZINC000409204993 570166865 /nfs/dbraw/zinc/16/68/65/570166865.db2.gz MWKZSJRVFMVRID-NVNXTCNLSA-N -1 3 470.797 5.613 40 10 JKCBHM O=C1C=CC(=[NH+][N-]c2cccc(C(F)(F)F)c2)C=C1c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000409253619 570186522 /nfs/dbraw/zinc/18/65/22/570186522.db2.gz UTPLLOBPHBKVPK-FLWNBWAVSA-N -1 3 470.476 7.083 40 10 JKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(Br)c2ccccc12 ZINC000408530567 570187690 /nfs/dbraw/zinc/18/76/90/570187690.db2.gz MGMDOFKWXQXQNW-PDGQHHTCSA-N -1 3 499.206 6.392 40 10 JKCBHM COc1cc([C@H](Nc2nccs2)c2ccc3ccccc3c2[O-])ccc1OCc1ccccc1 ZINC000408533370 570189085 /nfs/dbraw/zinc/18/90/85/570189085.db2.gz QQCOTVIJGOLDFR-SANMLTNESA-N -1 3 468.578 6.791 40 10 JKCBHM CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1[O-] ZINC000409329096 570203320 /nfs/dbraw/zinc/20/33/20/570203320.db2.gz COHTWNIBBSNJHI-OVCLIPMQSA-N -1 3 459.898 5.869 40 10 JKCBHM O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408576254 570205866 /nfs/dbraw/zinc/20/58/66/570205866.db2.gz WONZONLDCNCFAQ-DTQAZKPQSA-N -1 3 486.980 6.357 40 10 JKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058845582 195380707 /nfs/dbraw/zinc/38/07/07/195380707.db2.gz LJIGYSBCKCMSJP-GLDPYIMESA-N -1 3 481.961 5.876 40 10 JKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845653 195380722 /nfs/dbraw/zinc/38/07/22/195380722.db2.gz NHUNZWPHQJXVCU-CLCZQPDDSA-N -1 3 458.627 6.611 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058845746 195380950 /nfs/dbraw/zinc/38/09/50/195380950.db2.gz ZKXKWOWVJOMLIZ-UNVFRBQDSA-N -1 3 476.598 5.640 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000058845752 195381010 /nfs/dbraw/zinc/38/10/10/195381010.db2.gz GCPFITVIEQWSBH-BPYKYCOYSA-N -1 3 461.543 5.531 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058845863 195381049 /nfs/dbraw/zinc/38/10/49/195381049.db2.gz VPGGHQLZESXBRB-OREGWCPLSA-N -1 3 476.598 5.640 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1 ZINC000058845871 195381067 /nfs/dbraw/zinc/38/10/67/195381067.db2.gz AZXSHKPPOKUGLP-SGIRGMQISA-N -1 3 461.543 5.531 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058845731 195381140 /nfs/dbraw/zinc/38/11/40/195381140.db2.gz UNZKNZVDQUVMSS-QHWMMSMNSA-N -1 3 460.599 6.021 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058845708 195381187 /nfs/dbraw/zinc/38/11/87/195381187.db2.gz XCJICSMWVLGNAQ-BPYKYCOYSA-N -1 3 495.442 6.385 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058846103 195381385 /nfs/dbraw/zinc/38/13/85/195381385.db2.gz KLJNUUZZOIWMJC-ANSQWYIGSA-N -1 3 499.463 7.183 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000058846153 195381412 /nfs/dbraw/zinc/38/14/12/195381412.db2.gz SMHLCCDOTLRSFC-UNVFRBQDSA-N -1 3 475.570 5.785 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000058846157 195381420 /nfs/dbraw/zinc/38/14/20/195381420.db2.gz FKDOMOWJQGPEBG-VVZHRXSXSA-N -1 3 475.570 5.785 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c(C)c1 ZINC000058846253 195381523 /nfs/dbraw/zinc/38/15/23/195381523.db2.gz DWEYOFPMXMGMMX-VVZHRXSXSA-N -1 3 475.570 5.839 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000058846449 195381638 /nfs/dbraw/zinc/38/16/38/195381638.db2.gz XKOFPNVZSHPPGD-ISCCLHIJSA-N -1 3 460.599 5.939 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1 ZINC000058846329 195381662 /nfs/dbraw/zinc/38/16/62/195381662.db2.gz KFXBXCBXCRIRPP-OUDXUNEISA-N -1 3 499.463 7.238 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846751 195382067 /nfs/dbraw/zinc/38/20/67/195382067.db2.gz ZKALODFMVQGQPP-FVVBACEJSA-N -1 3 472.654 7.054 40 10 JKCBHM O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847149 195382323 /nfs/dbraw/zinc/38/23/23/195382323.db2.gz LXUQQEXFTOWEPL-YZUZCNPQSA-N -1 3 465.506 5.361 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058846967 195382406 /nfs/dbraw/zinc/38/24/06/195382406.db2.gz JATFUIFYWYHJTN-OBWXTZQISA-N -1 3 489.399 6.760 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058846979 195382478 /nfs/dbraw/zinc/38/24/78/195382478.db2.gz IXYWGDGNTLQOHG-XLNZFTOWSA-N -1 3 499.405 6.216 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058847109 195382542 /nfs/dbraw/zinc/38/25/42/195382542.db2.gz NOQKYCSFVPNGPB-YZUZCNPQSA-N -1 3 499.405 6.216 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847415 195382726 /nfs/dbraw/zinc/38/27/26/195382726.db2.gz CCYYUGIUVKHCIW-SGIRGMQISA-N -1 3 466.990 5.976 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058847431 195382774 /nfs/dbraw/zinc/38/27/74/195382774.db2.gz YAQAUBXVZVLECO-LZCXECNNSA-N -1 3 497.016 5.985 40 10 JKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058847367 195382793 /nfs/dbraw/zinc/38/27/93/195382793.db2.gz GQUHQQZNHKNQAQ-GLDPYIMESA-N -1 3 454.954 6.106 40 10 JKCBHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847515 195382894 /nfs/dbraw/zinc/38/28/94/195382894.db2.gz KRQMMSHHWUHKSK-YZUZCNPQSA-N -1 3 471.409 6.621 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847545 195382900 /nfs/dbraw/zinc/38/29/00/195382900.db2.gz BOQCKKKDZOMGOZ-SGIRGMQISA-N -1 3 466.990 5.976 40 10 JKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058847464 195383002 /nfs/dbraw/zinc/38/30/02/195383002.db2.gz SDWMIIYVZZRHJF-WZOHSFFVSA-N -1 3 480.973 5.696 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058847568 195383076 /nfs/dbraw/zinc/38/30/76/195383076.db2.gz MXPUHWIKCTVJLR-DFIYOIEZSA-N -1 3 497.016 5.985 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000058848171 195383239 /nfs/dbraw/zinc/38/32/39/195383239.db2.gz QLNWVNYCKLZYDR-BPYKYCOYSA-N -1 3 495.988 6.184 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000058848069 195383340 /nfs/dbraw/zinc/38/33/40/195383340.db2.gz OVYZKCTZNIXBHA-BPYKYCOYSA-N -1 3 495.988 6.184 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848142 195383395 /nfs/dbraw/zinc/38/33/95/195383395.db2.gz BDIOYFLSLVINTR-VVZHRXSXSA-N -1 3 481.017 6.284 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058847906 195383400 /nfs/dbraw/zinc/38/34/00/195383400.db2.gz DVUWKKJEOLXGBP-WZOHSFFVSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000058847961 195383421 /nfs/dbraw/zinc/38/34/21/195383421.db2.gz YYXIAZHHNSTWJN-WZOHSFFVSA-N -1 3 495.988 6.184 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2[C@H]2C=CC[C@H]21 ZINC000058848023 195383437 /nfs/dbraw/zinc/38/34/37/195383437.db2.gz YAWSCOIVKIAAAF-UNVFRBQDSA-N -1 3 481.017 6.284 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000058848074 195383442 /nfs/dbraw/zinc/38/34/42/195383442.db2.gz JBSYQYDXXCJNLO-BPYKYCOYSA-N -1 3 495.988 6.184 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848139 195383490 /nfs/dbraw/zinc/38/34/90/195383490.db2.gz LVPWEMWEMNQEPB-VVZHRXSXSA-N -1 3 481.017 6.284 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1 ZINC000058848515 195383639 /nfs/dbraw/zinc/38/36/39/195383639.db2.gz LIOIQVKYAJSUEV-BXTSTYNKSA-N -1 3 490.625 6.110 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848221 195383669 /nfs/dbraw/zinc/38/36/69/195383669.db2.gz MCMFSTZWYRZQEV-VVZHRXSXSA-N -1 3 481.017 6.284 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1Cl ZINC000058848201 195383714 /nfs/dbraw/zinc/38/37/14/195383714.db2.gz MRLVKNPXOCEYQP-BPYKYCOYSA-N -1 3 468.981 6.415 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058848218 195383718 /nfs/dbraw/zinc/38/37/18/195383718.db2.gz QDRRFPSAZBMHCK-UNVFRBQDSA-N -1 3 481.017 6.284 40 10 JKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058848335 195383740 /nfs/dbraw/zinc/38/37/40/195383740.db2.gz VXMGOJIIFZHIPQ-GLDPYIMESA-N -1 3 499.405 6.216 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)cc1 ZINC000058848426 195383774 /nfs/dbraw/zinc/38/37/74/195383774.db2.gz HHGVQJVUWQYRRX-OBTVHEKISA-N -1 3 460.599 5.939 40 10 JKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058848372 195383779 /nfs/dbraw/zinc/38/37/79/195383779.db2.gz MWZUNMAYSJATIT-GLDPYIMESA-N -1 3 488.506 6.472 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848228 195383808 /nfs/dbraw/zinc/38/38/08/195383808.db2.gz HNIGULDWSRICQW-QHWMMSMNSA-N -1 3 495.044 6.674 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000058848585 195383910 /nfs/dbraw/zinc/38/39/10/195383910.db2.gz PWIYUZVWTZMVLV-PPJWLVRDSA-N -1 3 481.017 6.366 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1 ZINC000058848667 195383987 /nfs/dbraw/zinc/38/39/87/195383987.db2.gz MTAVBSNTFOGEBJ-OREGWCPLSA-N -1 3 490.581 5.441 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1 ZINC000058848573 195384087 /nfs/dbraw/zinc/38/40/87/195384087.db2.gz CJPROLZRIXAMHZ-PPJWLVRDSA-N -1 3 464.562 5.852 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1OC ZINC000058849465 195384329 /nfs/dbraw/zinc/38/43/29/195384329.db2.gz JFONAKVFEZMTIP-LZCXECNNSA-N -1 3 462.571 5.331 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1OC ZINC000058849486 195384703 /nfs/dbraw/zinc/38/47/03/195384703.db2.gz LPLFNWRVNHXIOJ-ANSQWYIGSA-N -1 3 480.561 5.470 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058850054 195384977 /nfs/dbraw/zinc/38/49/77/195384977.db2.gz FPRRPCIMWQGPJW-FVXXUCQHSA-N -1 3 480.633 7.084 40 10 JKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058850102 195384995 /nfs/dbraw/zinc/38/49/95/195384995.db2.gz VPTCSGZWKGDFBO-VYKTZEHYSA-N -1 3 497.576 6.375 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc5ccccc54)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850077 195385028 /nfs/dbraw/zinc/38/50/28/195385028.db2.gz CJUNQZTZQGUODU-BOCWGRARSA-N -1 3 482.605 6.476 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1C ZINC000058850214 195385052 /nfs/dbraw/zinc/38/50/52/195385052.db2.gz BVGVMMOFMVSZLF-UNVFRBQDSA-N -1 3 483.008 6.723 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c(C)c1 ZINC000058850192 195385085 /nfs/dbraw/zinc/38/50/85/195385085.db2.gz LBJHOSGSQWANAY-ANSQWYIGSA-N -1 3 483.008 6.723 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(O)cc1 ZINC000224870920 195471635 /nfs/dbraw/zinc/47/16/35/195471635.db2.gz AGGXVMUDBIFLAC-LOSJGSFVSA-N -1 3 491.016 5.731 40 10 JKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000016284980 522173296 /nfs/dbraw/zinc/17/32/96/522173296.db2.gz XGSIBPMQDCHRDU-QHWMMSMNSA-N -1 3 488.609 5.717 40 10 JKCBHM O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000008820492 554707366 /nfs/dbraw/zinc/70/73/66/554707366.db2.gz QCTHZQWPTKRVDV-DURWOYGOSA-N -1 3 458.992 5.222 40 10 JKCBHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(N(CC)CC)cc2)cc1 ZINC000009159889 554949513 /nfs/dbraw/zinc/94/95/13/554949513.db2.gz SDFGADUTZMUCIW-FCEKVYKBSA-N -1 3 499.611 5.373 40 10 JKCBHM COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1[O-] ZINC000009310736 555086805 /nfs/dbraw/zinc/08/68/05/555086805.db2.gz BBUCWMPPTYEFLI-CXUHLZMHSA-N -1 3 497.379 5.028 40 10 JKCBHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4[O-])[C@H]3C2=O)c(C)c1 ZINC000013805566 555623379 /nfs/dbraw/zinc/62/33/79/555623379.db2.gz CBAPORZLOWXHFY-GIWBLDEGSA-N -1 3 483.351 5.367 40 10 JKCBHM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(C)cc2C)cc1 ZINC000020288916 555758999 /nfs/dbraw/zinc/75/89/99/555758999.db2.gz JEQWPSMXOCDKCD-MOHJPFBDSA-N -1 3 456.502 5.357 40 10 JKCBHM CCc1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000020288987 555759328 /nfs/dbraw/zinc/75/93/28/555759328.db2.gz SWRJLKRRVYWXPM-ULJHMMPZSA-N -1 3 468.582 6.004 40 10 JKCBHM CCc1ccccc1N=C(C)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccc(OC)cc1 ZINC000020289091 555759678 /nfs/dbraw/zinc/75/96/78/555759678.db2.gz IHFSLUSNDJYXBY-ULJHMMPZSA-N -1 3 456.502 5.303 40 10 JKCBHM CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000014406665 555808632 /nfs/dbraw/zinc/80/86/32/555808632.db2.gz INCCDVAYJOJDKZ-BOPFTXTBSA-N -1 3 462.727 5.075 40 10 JKCBHM CCOc1cc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc(Br)c1[O-] ZINC000015016312 555857546 /nfs/dbraw/zinc/85/75/46/555857546.db2.gz ZQLGAOSPPYAKAQ-YBEGLDIGSA-N -1 3 467.772 5.314 40 10 JKCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000032109997 556420447 /nfs/dbraw/zinc/42/04/47/556420447.db2.gz OSCHXZZUSZFKLY-REZTVBANSA-N -1 3 485.776 5.341 40 10 JKCBHM COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000032111831 556420808 /nfs/dbraw/zinc/42/08/08/556420808.db2.gz IXNGYNSBJJNPPE-CIAFOILYSA-N -1 3 466.946 5.187 40 10 JKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000059961092 569608261 /nfs/dbraw/zinc/60/82/61/569608261.db2.gz WPMZZTOLOVIRQW-XLNZFTOWSA-N -1 3 471.409 6.621 40 10 JKCBHM CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4[O-])[C@H]3C2=O)cc1 ZINC000101212911 569787267 /nfs/dbraw/zinc/78/72/67/569787267.db2.gz MKHNEAQWPHFKIP-GIWBLDEGSA-N -1 3 499.350 5.149 40 10 JKCBHM CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc([O-])c(CN3C[C@H](C)O[C@@H](C)C3)c21 ZINC000038819020 569808069 /nfs/dbraw/zinc/80/80/69/569808069.db2.gz ATIUBVXVTHKCPI-IRXDYDNUSA-N -1 3 450.579 5.433 40 10 JKCBHM O=C1C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102761841 569822337 /nfs/dbraw/zinc/82/23/37/569822337.db2.gz NGSZVKITUOELLM-ZJOUEHCJSA-N -1 3 489.742 5.404 40 10 JKCBHM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Oc2ccccc2)cc1 ZINC000103919158 569839155 /nfs/dbraw/zinc/83/91/55/569839155.db2.gz YHNAWHZRSDCQGH-BWAHOGKJSA-N -1 3 468.582 6.977 40 10 JKCBHM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(Oc2ccccc2)cc1 ZINC000112298315 569861286 /nfs/dbraw/zinc/86/12/86/569861286.db2.gz BWCLFYBPQRJCKH-ITYLOYPMSA-N -1 3 471.513 5.139 40 10 JKCBHM CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])cc21 ZINC000224593484 569949846 /nfs/dbraw/zinc/94/98/46/569949846.db2.gz BKNCYSUKIHTUBP-JWQCQUIFSA-N -1 3 456.615 5.596 40 10 JKCBHM CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])cc21 ZINC000224593559 569949873 /nfs/dbraw/zinc/94/98/73/569949873.db2.gz HBICLFCTJSZYDI-JWQCQUIFSA-N -1 3 491.060 6.249 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(Cl)ccc1O ZINC000224597019 569949976 /nfs/dbraw/zinc/94/99/76/569949976.db2.gz JGYXPZSWQREFAB-RPBOFIJWSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000224601481 569950142 /nfs/dbraw/zinc/95/01/42/569950142.db2.gz VURZWBXPHSECNQ-UIOOFZCWSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1F ZINC000224602429 569950179 /nfs/dbraw/zinc/95/01/79/569950179.db2.gz PSMLQJXJYFAQLK-RPBOFIJWSA-N -1 3 458.562 5.511 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(F)c1 ZINC000224602583 569950226 /nfs/dbraw/zinc/95/02/26/569950226.db2.gz WTRWVYLFCZJSHL-JWQCQUIFSA-N -1 3 458.562 5.511 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(O)cc1 ZINC000224604577 569950281 /nfs/dbraw/zinc/95/02/81/569950281.db2.gz SJLVJBPFQMZWED-LOSJGSFVSA-N -1 3 456.571 5.077 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C)c1C ZINC000224606617 569950389 /nfs/dbraw/zinc/95/03/89/569950389.db2.gz KGQZORNFYOWPQX-KAYWLYCHSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)ccc1C ZINC000224606978 569950391 /nfs/dbraw/zinc/95/03/91/569950391.db2.gz RPLBPHZEYIHOSO-SVBPBHIXSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000224607294 569950450 /nfs/dbraw/zinc/95/04/50/569950450.db2.gz VYIGAWYTMXSSJX-SXOMAYOGSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000224607607 569950480 /nfs/dbraw/zinc/95/04/80/569950480.db2.gz OAQMXGLLNKPHTA-UIOOFZCWSA-N -1 3 484.581 5.101 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1c(C)cccc1C ZINC000224607089 569950499 /nfs/dbraw/zinc/95/04/99/569950499.db2.gz YGHJRDBGVYTGHT-VPUSJEBWSA-N -1 3 468.626 5.989 40 10 JKCBHM CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609394 569950525 /nfs/dbraw/zinc/95/05/25/569950525.db2.gz YIHKKHGPQVDQPF-IAPPQJPRSA-N -1 3 482.653 6.243 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1C ZINC000224608038 569950571 /nfs/dbraw/zinc/95/05/71/569950571.db2.gz BTKHLHLYVKMUDJ-UIOOFZCWSA-N -1 3 489.044 6.334 40 10 JKCBHM CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609482 569950577 /nfs/dbraw/zinc/95/05/77/569950577.db2.gz YIHKKHGPQVDQPF-XCZPVHLTSA-N -1 3 482.653 6.243 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000224868170 569960904 /nfs/dbraw/zinc/96/09/04/569960904.db2.gz SVPNJNDWKCVADA-FTJBHMTQSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1F ZINC000224869074 569961015 /nfs/dbraw/zinc/96/10/15/569961015.db2.gz APNREYPADFNAIG-LOSJGSFVSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(C)cc1 ZINC000224868374 569961017 /nfs/dbraw/zinc/96/10/17/569961017.db2.gz WIYPKZCDRHGQJT-IZZNHLLZSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(O)cc1 ZINC000224870839 569961140 /nfs/dbraw/zinc/96/11/40/569961140.db2.gz AGGXVMUDBIFLAC-JWQCQUIFSA-N -1 3 491.016 5.731 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cc(C)ccn1 ZINC000224875133 569961220 /nfs/dbraw/zinc/96/12/20/569961220.db2.gz JEKJEYVBAITMSS-RPBOFIJWSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(C)cn1 ZINC000224875446 569961271 /nfs/dbraw/zinc/96/12/71/569961271.db2.gz RTERPSJKPRWJQY-JWQCQUIFSA-N -1 3 490.032 5.729 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(C)cn1 ZINC000224875564 569961304 /nfs/dbraw/zinc/96/13/04/569961304.db2.gz RTERPSJKPRWJQY-DQEYMECFSA-N -1 3 490.032 5.729 40 10 JKCBHM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000408893626 570066453 /nfs/dbraw/zinc/06/64/53/570066453.db2.gz HFWGBTULCNMTLZ-UHFFFAOYSA-N -1 3 462.889 5.028 40 10 JKCBHM COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4[O-])C3=O)o2)cc1 ZINC000408987776 570092935 /nfs/dbraw/zinc/09/29/35/570092935.db2.gz XXUYGDZUZYWGTL-OQKWZONESA-N -1 3 463.489 5.910 40 10 JKCBHM CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1[O-] ZINC000409052596 570110474 /nfs/dbraw/zinc/11/04/74/570110474.db2.gz IRZSINJUJYXLHI-YVLHZVERSA-N -1 3 464.406 5.263 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)S1 ZINC000409083052 570122211 /nfs/dbraw/zinc/12/22/11/570122211.db2.gz USTJQAFUCOPUIX-FRKPEAEDSA-N -1 3 455.750 5.332 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc32)S1 ZINC000409093437 570125624 /nfs/dbraw/zinc/12/56/24/570125624.db2.gz ZDZSCNPZBMUCBX-KEBDBYFISA-N -1 3 471.365 5.832 40 10 JKCBHM CCCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409144662 570146267 /nfs/dbraw/zinc/14/62/67/570146267.db2.gz ZFCLWBMLTDKSAC-MOSHPQCFSA-N -1 3 491.034 5.382 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cn(C(C)C)c4ccccc34)SC2=S)c(Cl)c1 ZINC000409144676 570146273 /nfs/dbraw/zinc/14/62/73/570146273.db2.gz ZTBUEONMRLIKBO-RGVLZGJSSA-N -1 3 470.019 5.730 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)c(Cl)c1 ZINC000409160791 570152003 /nfs/dbraw/zinc/15/20/03/570152003.db2.gz JADYTILUXBTMGQ-YBFXNURJSA-N -1 3 489.405 6.108 40 10 JKCBHM CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000409180725 570159016 /nfs/dbraw/zinc/15/90/16/570159016.db2.gz USYVYPNMGSYFQM-VIZOYTHASA-N -1 3 488.787 5.752 40 10 JKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(Br)c(Cl)c1 ZINC000408529973 570187371 /nfs/dbraw/zinc/18/73/71/570187371.db2.gz IICPXRHLINWWAS-ZROIWOOFSA-N -1 3 483.591 5.892 40 10 JKCBHM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1[O-] ZINC000409330659 570204102 /nfs/dbraw/zinc/20/41/02/570204102.db2.gz LPMOJWMPNDIVAY-MHWRWJLKSA-N -1 3 450.379 5.268 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000001105893 194025627 /nfs/dbraw/zinc/02/56/27/194025627.db2.gz NYAXZRRLPZAONS-UNVFRBQDSA-N -1 3 498.570 6.950 40 10 JKCBHM O=C1C(=Cc2c([O-])ccc3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000003017885 194207779 /nfs/dbraw/zinc/20/77/79/194207779.db2.gz OEQXKPGHLHFDSL-UHFFFAOYSA-N -1 3 450.519 5.294 40 10 JKCBHM CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3[O-])=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000008666353 194473671 /nfs/dbraw/zinc/47/36/71/194473671.db2.gz NQIJMZSOWUXEOX-RUZDIDTESA-N -1 3 497.511 5.784 40 10 JKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058845599 195380641 /nfs/dbraw/zinc/38/06/41/195380641.db2.gz SREMUABZISIOCR-RHGYRFJNSA-N -1 3 471.409 6.621 40 10 JKCBHM O=S(=O)([N-]c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058845578 195380755 /nfs/dbraw/zinc/38/07/55/195380755.db2.gz JUEIKQXYVMFDLY-GLDPYIMESA-N -1 3 471.409 6.621 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1 ZINC000058845867 195380915 /nfs/dbraw/zinc/38/09/15/195380915.db2.gz ASTIQNXEUKQNLV-DFIYOIEZSA-N -1 3 461.543 5.531 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1 ZINC000058845961 195380956 /nfs/dbraw/zinc/38/09/56/195380956.db2.gz QRCDJEDVWWRQPK-CEYNDMKZSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000058845834 195380998 /nfs/dbraw/zinc/38/09/98/195380998.db2.gz LTKUTWJSZVBKAA-CEYNDMKZSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1 ZINC000058845939 195381079 /nfs/dbraw/zinc/38/10/79/195381079.db2.gz ILNFYBPFRAJNOE-DFIYOIEZSA-N -1 3 495.988 6.184 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1 ZINC000058845942 195381127 /nfs/dbraw/zinc/38/11/27/195381127.db2.gz YQKDZVSNWHUSFX-SGIRGMQISA-N -1 3 495.442 6.385 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000058845806 195381199 /nfs/dbraw/zinc/38/11/99/195381199.db2.gz LEAFDKDGCZBALE-DFIYOIEZSA-N -1 3 485.436 6.929 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)ccc1OC)N2 ZINC000058846122 195381307 /nfs/dbraw/zinc/38/13/07/195381307.db2.gz ANRJRLFIWVOUCG-TYPXCFOJSA-N -1 3 490.625 5.894 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846239 195381326 /nfs/dbraw/zinc/38/13/26/195381326.db2.gz SWLIXTJHXIVFRX-TYPXCFOJSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 ZINC000058846012 195381373 /nfs/dbraw/zinc/38/13/73/195381373.db2.gz WMQAWEHNRRYUNT-SGIRGMQISA-N -1 3 461.543 5.531 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058846186 195381400 /nfs/dbraw/zinc/38/14/00/195381400.db2.gz YCTBNSGSJCGMGP-BOCWGRARSA-N -1 3 486.681 7.174 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c(C)c1 ZINC000058846205 195381403 /nfs/dbraw/zinc/38/14/03/195381403.db2.gz BMKUXHMOASNOQQ-UNVFRBQDSA-N -1 3 465.018 6.584 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058846164 195381453 /nfs/dbraw/zinc/38/14/53/195381453.db2.gz BXFDXIPCLFCDRD-UNVFRBQDSA-N -1 3 498.570 6.895 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c(C)c1 ZINC000058846250 195381465 /nfs/dbraw/zinc/38/14/65/195381465.db2.gz DSIWWVISBSTGDX-UNVFRBQDSA-N -1 3 475.570 5.839 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058846243 195381486 /nfs/dbraw/zinc/38/14/86/195381486.db2.gz ANSFVDZPDHCCNH-PFPZSTESSA-N -1 3 490.625 5.948 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846354 195381614 /nfs/dbraw/zinc/38/16/14/195381614.db2.gz IITBSCFPPHONFI-VYKTZEHYSA-N -1 3 474.626 6.329 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000058846401 195381622 /nfs/dbraw/zinc/38/16/22/195381622.db2.gz DWILZPIOZKPLIB-FYQCMVGJSA-N -1 3 474.582 5.659 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1 ZINC000058846324 195381630 /nfs/dbraw/zinc/38/16/30/195381630.db2.gz NWKGLKGJCBKZOU-UNVFRBQDSA-N -1 3 465.018 6.584 40 10 JKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846365 195381689 /nfs/dbraw/zinc/38/16/89/195381689.db2.gz WYQCDVJVUFVIQT-QHWMMSMNSA-N -1 3 488.609 5.717 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000058846482 195381717 /nfs/dbraw/zinc/38/17/17/195381717.db2.gz VHNGORNDBKUHHP-VVZHRXSXSA-N -1 3 475.570 5.839 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1 ZINC000058846369 195381737 /nfs/dbraw/zinc/38/17/37/195381737.db2.gz HXBRMEISSOZIRS-UNVFRBQDSA-N -1 3 475.570 5.839 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2[C@H]2C=CC[C@H]21 ZINC000058846347 195381748 /nfs/dbraw/zinc/38/17/48/195381748.db2.gz IJXWBORYDQIAHT-ISCCLHIJSA-N -1 3 460.599 5.939 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000058846344 195381816 /nfs/dbraw/zinc/38/18/16/195381816.db2.gz GIGBWNVABFCYDU-ANSQWYIGSA-N -1 3 499.463 7.238 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1C ZINC000058846516 195381841 /nfs/dbraw/zinc/38/18/41/195381841.db2.gz UWFJOXVUWGUKEP-PPJWLVRDSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000058846628 195381976 /nfs/dbraw/zinc/38/19/76/195381976.db2.gz FWKHAPBFPHCBTR-UZINWLIJSA-N -1 3 499.463 7.238 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1 ZINC000058846768 195382001 /nfs/dbraw/zinc/38/20/01/195382001.db2.gz DZUIZOYVXNKFOJ-CLCZQPDDSA-N -1 3 479.045 7.091 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1 ZINC000058846731 195382020 /nfs/dbraw/zinc/38/20/20/195382020.db2.gz SRFZYXWTNWSOHK-IWVFXYMLSA-N -1 3 486.681 7.228 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846745 195382026 /nfs/dbraw/zinc/38/20/26/195382026.db2.gz QAAXGQWCNKSHOI-BXTSTYNKSA-N -1 3 458.627 6.746 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058846667 195382038 /nfs/dbraw/zinc/38/20/38/195382038.db2.gz HZHHADQLTJGUHO-JWZKTCGFSA-N -1 3 490.625 5.948 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846809 195382073 /nfs/dbraw/zinc/38/20/73/195382073.db2.gz HBLOMNGDLYAQHS-BXTSTYNKSA-N -1 3 474.626 6.446 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1 ZINC000058846699 195382112 /nfs/dbraw/zinc/38/21/12/195382112.db2.gz CBOXOBBNFWSXAM-PPJWLVRDSA-N -1 3 475.570 5.839 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1 ZINC000058846850 195382141 /nfs/dbraw/zinc/38/21/41/195382141.db2.gz CHVLFKWMBZEACP-CLCZQPDDSA-N -1 3 489.597 6.346 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058846677 195382151 /nfs/dbraw/zinc/38/21/51/195382151.db2.gz ZDAZVGAYUBUZOW-XXAUWVGASA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1 ZINC000058846703 195382157 /nfs/dbraw/zinc/38/21/57/195382157.db2.gz PHLDKHABJZDTPE-PPJWLVRDSA-N -1 3 475.570 5.839 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1C ZINC000058846576 195382179 /nfs/dbraw/zinc/38/21/79/195382179.db2.gz XBWUPGMFUXDUDD-IWVFXYMLSA-N -1 3 488.653 6.718 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058847088 195382317 /nfs/dbraw/zinc/38/23/17/195382317.db2.gz AZNQYWOGKGSTHS-YZUZCNPQSA-N -1 3 454.954 6.106 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058847004 195382334 /nfs/dbraw/zinc/38/23/34/195382334.db2.gz CWKNJBDKNPMXFT-ANSQWYIGSA-N -1 3 480.561 5.470 40 10 JKCBHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058846885 195382340 /nfs/dbraw/zinc/38/23/40/195382340.db2.gz GFWNGRHQWKERKW-PVTPYKNESA-N -1 3 478.617 6.981 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847006 195382430 /nfs/dbraw/zinc/38/24/30/195382430.db2.gz WAGAOVYGTITFGN-ANSQWYIGSA-N -1 3 480.561 5.470 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058847130 195382459 /nfs/dbraw/zinc/38/24/59/195382459.db2.gz QLBUPYQPSMSUBD-UZINWLIJSA-N -1 3 480.561 5.470 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058847114 195382471 /nfs/dbraw/zinc/38/24/71/195382471.db2.gz XWDNSKMWHOPTME-RHGYRFJNSA-N -1 3 489.399 6.760 40 10 JKCBHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058847092 195382483 /nfs/dbraw/zinc/38/24/83/195382483.db2.gz LHYFHIQFCWEYDN-XLNZFTOWSA-N -1 3 489.399 6.760 40 10 JKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847030 195382498 /nfs/dbraw/zinc/38/24/98/195382498.db2.gz YQGPCNMBUZCTBB-OREGWCPLSA-N -1 3 478.589 6.240 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000058846977 195382504 /nfs/dbraw/zinc/38/25/04/195382504.db2.gz XDGWLCTZKPGBIP-XLNZFTOWSA-N -1 3 499.405 6.216 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058847038 195382509 /nfs/dbraw/zinc/38/25/09/195382509.db2.gz XSRRBJPWVFAQMH-YYULODDRSA-N -1 3 495.532 5.370 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058847026 195382586 /nfs/dbraw/zinc/38/25/86/195382586.db2.gz LITSSDYVOKISSS-SRGWNRLKSA-N -1 3 488.506 6.472 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847418 195382701 /nfs/dbraw/zinc/38/27/01/195382701.db2.gz JJVILSBSXQMCJM-SGIRGMQISA-N -1 3 466.990 5.976 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058847411 195382751 /nfs/dbraw/zinc/38/27/51/195382751.db2.gz YYFPIPKUGSWMBN-DFIYOIEZSA-N -1 3 466.990 5.976 40 10 JKCBHM Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847821 195382939 /nfs/dbraw/zinc/38/29/39/195382939.db2.gz HBIXWUQLYNHIJN-VRUMLPLGSA-N -1 3 499.463 7.238 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058847557 195383017 /nfs/dbraw/zinc/38/30/17/195383017.db2.gz JOLCLSWRFFTCTI-UZINWLIJSA-N -1 3 497.016 5.985 40 10 JKCBHM O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847587 195383060 /nfs/dbraw/zinc/38/30/60/195383060.db2.gz JINJBIMCUBAUTC-YZUZCNPQSA-N -1 3 481.961 5.876 40 10 JKCBHM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847478 195383096 /nfs/dbraw/zinc/38/30/96/195383096.db2.gz WOWJWQDNHYTFRW-CLCZQPDDSA-N -1 3 493.072 7.265 40 10 JKCBHM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847599 195383101 /nfs/dbraw/zinc/38/31/01/195383101.db2.gz YZVRQVFNEVAVGM-CLCZQPDDSA-N -1 3 495.044 6.755 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058847895 195383265 /nfs/dbraw/zinc/38/32/65/195383265.db2.gz YLWBKFAWKHESFT-WZOHSFFVSA-N -1 3 468.981 6.415 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848112 195383277 /nfs/dbraw/zinc/38/32/77/195383277.db2.gz PPPOZNROMNCIQB-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058847879 195383306 /nfs/dbraw/zinc/38/33/06/195383306.db2.gz JDUQIBYNBJFSNJ-WZOHSFFVSA-N -1 3 450.991 6.276 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000058848121 195383344 /nfs/dbraw/zinc/38/33/44/195383344.db2.gz YMAVPHUYAOTTFL-BPYKYCOYSA-N -1 3 468.981 6.415 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848026 195383359 /nfs/dbraw/zinc/38/33/59/195383359.db2.gz XGXBXODGXWXRMB-VVZHRXSXSA-N -1 3 481.017 6.284 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058848104 195383461 /nfs/dbraw/zinc/38/34/61/195383461.db2.gz RBIFWVDJGTZTOL-BPYKYCOYSA-N -1 3 450.991 6.276 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000058848440 195383785 /nfs/dbraw/zinc/38/37/85/195383785.db2.gz GKOOPKBICNOMON-SGIRGMQISA-N -1 3 466.990 5.976 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1 ZINC000058848535 195383802 /nfs/dbraw/zinc/38/38/02/195383802.db2.gz JSYIYZUMWRORBZ-BXTSTYNKSA-N -1 3 488.653 6.620 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058848794 195383955 /nfs/dbraw/zinc/38/39/55/195383955.db2.gz MEMRNINUQWVXRK-CLCZQPDDSA-N -1 3 476.598 5.721 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)cc1 ZINC000058848556 195383983 /nfs/dbraw/zinc/38/39/83/195383983.db2.gz GXKQSPCSGLJJQH-CLCZQPDDSA-N -1 3 460.599 6.021 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1 ZINC000058848652 195384109 /nfs/dbraw/zinc/38/41/09/195384109.db2.gz RUECQVWHFNXHJO-UZINWLIJSA-N -1 3 491.569 5.621 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1 ZINC000058848709 195384125 /nfs/dbraw/zinc/38/41/25/195384125.db2.gz ZDVIANJIWLDFDF-SGIRGMQISA-N -1 3 450.535 5.462 40 10 JKCBHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850228 195384936 /nfs/dbraw/zinc/38/49/36/195384936.db2.gz YDAFVSXMGIZDPO-SRGWNRLKSA-N -1 3 499.405 6.216 40 10 JKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000058850118 195385002 /nfs/dbraw/zinc/38/50/02/195385002.db2.gz HGAADGYCLQAZKV-QFWOEDSFSA-N -1 3 496.588 6.196 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1 ZINC000058850217 195385077 /nfs/dbraw/zinc/38/50/77/195385077.db2.gz SYGPJQCZGAHYBQ-UNVFRBQDSA-N -1 3 483.008 6.723 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1 ZINC000058850169 195385102 /nfs/dbraw/zinc/38/51/02/195385102.db2.gz MAPKGBLWFPOHCY-CEYNDMKZSA-N -1 3 468.981 6.415 40 10 JKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058850064 195385114 /nfs/dbraw/zinc/38/51/14/195385114.db2.gz BIVJNMCRYMSWNO-TYPXCFOJSA-N -1 3 487.024 7.121 40 10 JKCBHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1 ZINC000058850278 195385355 /nfs/dbraw/zinc/38/53/55/195385355.db2.gz YVFJWCBDUFEDPA-UNVFRBQDSA-N -1 3 499.007 6.505 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(O)cc1 ZINC000224870880 195471589 /nfs/dbraw/zinc/47/15/89/195471589.db2.gz AGGXVMUDBIFLAC-RPBOFIJWSA-N -1 3 491.016 5.731 40 10 JKCBHM COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000008606298 524131153 /nfs/dbraw/zinc/13/11/53/524131153.db2.gz JLLJHABMEMDYAZ-WCYRKSIYSA-N -1 3 460.599 5.939 40 10 JKCBHM O=[N+]([O-])c1ccc(N2N=C(c3c([O-])ccc4ccccc43)C[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005838552 554494774 /nfs/dbraw/zinc/49/47/74/554494774.db2.gz ZORWRFJHNOZPGZ-QFIPXVFZSA-N -1 3 488.887 6.371 40 10 JKCBHM CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013750273 555608727 /nfs/dbraw/zinc/60/87/27/555608727.db2.gz KRJYEFZBUAXKED-VJBWXMMDSA-N -1 3 482.367 5.111 40 10 JKCBHM COc1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000020289176 555759948 /nfs/dbraw/zinc/75/99/48/555759948.db2.gz NAXKWIYAQFYOTC-KQWNVCNZSA-N -1 3 470.554 5.451 40 10 JKCBHM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000014274331 555776525 /nfs/dbraw/zinc/77/65/25/555776525.db2.gz GSAWTORFNNQQPZ-UHFFFAOYSA-N -1 3 493.799 6.013 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014543299 555834196 /nfs/dbraw/zinc/83/41/96/555834196.db2.gz BTJXLHONUAHCBZ-VYKTZEHYSA-N -1 3 474.626 6.329 40 10 JKCBHM CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)N1CCN(C)CC1)c([O-])c1ccccc21 ZINC000023292220 556038317 /nfs/dbraw/zinc/03/83/17/556038317.db2.gz WEMYAQHQZMANBN-VWLOTQADSA-N -1 3 458.558 5.114 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000016349770 556136367 /nfs/dbraw/zinc/13/63/67/556136367.db2.gz IVNOVTIKTLIVNY-UZINWLIJSA-N -1 3 476.598 5.640 40 10 JKCBHM O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccccc1[O-] ZINC000032138970 556432725 /nfs/dbraw/zinc/43/27/25/556432725.db2.gz MCIGMXSILOXEAD-JXAWBTAJSA-N -1 3 474.343 7.430 40 10 JKCBHM O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3[O-])C[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000033917222 563111218 /nfs/dbraw/zinc/11/12/18/563111218.db2.gz ULAMKFRJZLAJEZ-HSZRJFAPSA-N -1 3 488.887 6.371 40 10 JKCBHM COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1c([O-])ccc2ccccc21 ZINC000059435749 569603885 /nfs/dbraw/zinc/60/38/85/569603885.db2.gz LMKUNEAQWKYMOM-PDGQHHTCSA-N -1 3 454.309 5.729 40 10 JKCBHM Cc1ccc(-c2ccc(C(=O)NC(=S)[N-]c3ccc(Cl)cc3C(=O)c3ccccc3)o2)cc1C ZINC000033400079 569625826 /nfs/dbraw/zinc/62/58/26/569625826.db2.gz FENYTCDOYPUQPN-UHFFFAOYSA-N -1 3 488.996 6.575 40 10 JKCBHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(N(CC)CC)cc2)cc1 ZINC000101149366 569784569 /nfs/dbraw/zinc/78/45/69/569784569.db2.gz SDFGADUTZMUCIW-KCHLEUMXSA-N -1 3 499.611 5.373 40 10 JKCBHM CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc([O-])c(CN3C[C@@H](C)O[C@H](C)C3)c21 ZINC000038819019 569807977 /nfs/dbraw/zinc/80/79/77/569807977.db2.gz ATIUBVXVTHKCPI-IAGOWNOFSA-N -1 3 450.579 5.433 40 10 JKCBHM CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102722382 569817345 /nfs/dbraw/zinc/81/73/45/569817345.db2.gz KRJYEFZBUAXKED-XPWALMASSA-N -1 3 482.367 5.111 40 10 JKCBHM CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102755018 569821370 /nfs/dbraw/zinc/82/13/70/569821370.db2.gz KDWPXBAHHVCUNV-DSNGMDLFSA-N -1 3 475.976 5.237 40 10 JKCBHM O=C1C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102765165 569822838 /nfs/dbraw/zinc/82/28/38/569822838.db2.gz DWROTSDKPAMJAG-ZJOUEHCJSA-N -1 3 489.742 5.404 40 10 JKCBHM CCc1ccc(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000103922376 569839423 /nfs/dbraw/zinc/83/94/23/569839423.db2.gz YEMFHEFZDJNCQU-ULJHMMPZSA-N -1 3 456.502 5.303 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc2ccccc21 ZINC000224600315 569950048 /nfs/dbraw/zinc/95/00/48/569950048.db2.gz QUWZBAQTIGKICF-FQLXRVMXSA-N -1 3 490.632 6.525 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C ZINC000224601170 569950097 /nfs/dbraw/zinc/95/00/97/569950097.db2.gz ICXMJMCSUWMUQS-FTJBHMTQSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C ZINC000224601129 569950115 /nfs/dbraw/zinc/95/01/15/569950115.db2.gz ICXMJMCSUWMUQS-CLJLJLNGSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000224601440 569950138 /nfs/dbraw/zinc/95/01/38/569950138.db2.gz VURZWBXPHSECNQ-IZZNHLLZSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000224601389 569950148 /nfs/dbraw/zinc/95/01/48/569950148.db2.gz VURZWBXPHSECNQ-FTJBHMTQSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(F)cc1 ZINC000224602841 569950193 /nfs/dbraw/zinc/95/01/93/569950193.db2.gz LBXJNIMFAVBLEB-RPBOFIJWSA-N -1 3 458.562 5.511 40 10 JKCBHM CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224602114 569950201 /nfs/dbraw/zinc/95/02/01/569950201.db2.gz HWPBHEMMAHJFFZ-SVBPBHIXSA-N -1 3 468.626 5.934 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1F ZINC000224602521 569950211 /nfs/dbraw/zinc/95/02/11/569950211.db2.gz PSMLQJXJYFAQLK-DQEYMECFSA-N -1 3 458.562 5.511 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1O ZINC000224604423 569950234 /nfs/dbraw/zinc/95/02/34/569950234.db2.gz LAKJZLQKCPKSBG-DQEYMECFSA-N -1 3 456.571 5.077 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1O ZINC000224604286 569950274 /nfs/dbraw/zinc/95/02/74/569950274.db2.gz LAKJZLQKCPKSBG-JWQCQUIFSA-N -1 3 456.571 5.077 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000224603306 569950278 /nfs/dbraw/zinc/95/02/78/569950278.db2.gz WQXYCSUSDVKGGY-LOSJGSFVSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000224603354 569950288 /nfs/dbraw/zinc/95/02/88/569950288.db2.gz WQXYCSUSDVKGGY-DQEYMECFSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000224603265 569950292 /nfs/dbraw/zinc/95/02/92/569950292.db2.gz WQXYCSUSDVKGGY-RPBOFIJWSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000224603563 569950294 /nfs/dbraw/zinc/95/02/94/569950294.db2.gz NTTPWHCAEVNNRD-DQEYMECFSA-N -1 3 475.017 6.025 40 10 JKCBHM COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c1 ZINC000224604790 569950303 /nfs/dbraw/zinc/95/03/03/569950303.db2.gz BFXFGNPFFFOSCI-IZZNHLLZSA-N -1 3 470.598 5.380 40 10 JKCBHM COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224604906 569950369 /nfs/dbraw/zinc/95/03/69/569950369.db2.gz NYFALYTYEHQHFO-CLJLJLNGSA-N -1 3 470.598 5.380 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)ccc1C ZINC000224606930 569950408 /nfs/dbraw/zinc/95/04/08/569950408.db2.gz RPLBPHZEYIHOSO-RRPNLBNLSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000224607350 569950448 /nfs/dbraw/zinc/95/04/48/569950448.db2.gz VYIGAWYTMXSSJX-RRPNLBNLSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000224607558 569950487 /nfs/dbraw/zinc/95/04/87/569950487.db2.gz OAQMXGLLNKPHTA-IZZNHLLZSA-N -1 3 484.581 5.101 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)ccn1 ZINC000224609698 569950519 /nfs/dbraw/zinc/95/05/19/569950519.db2.gz BFDLIHBOOMKFNR-DQEYMECFSA-N -1 3 455.587 5.075 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C)cn1 ZINC000224610027 569950630 /nfs/dbraw/zinc/95/06/30/569950630.db2.gz UVWOUAZIDPRTFL-RPBOFIJWSA-N -1 3 455.587 5.075 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ncccc1C ZINC000224609860 569950632 /nfs/dbraw/zinc/95/06/32/569950632.db2.gz COUUIPIXYPYIKA-BJKOFHAPSA-N -1 3 455.587 5.075 40 10 JKCBHM COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c1 ZINC000224622399 569951141 /nfs/dbraw/zinc/95/11/41/569951141.db2.gz XZICPFIFHJYMKH-CLJLJLNGSA-N -1 3 498.608 5.158 40 10 JKCBHM COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224622631 569951170 /nfs/dbraw/zinc/95/11/70/569951170.db2.gz RORKYQWFPIJZFR-CLJLJLNGSA-N -1 3 498.608 5.158 40 10 JKCBHM COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)c1 ZINC000224622448 569951178 /nfs/dbraw/zinc/95/11/78/569951178.db2.gz XZICPFIFHJYMKH-FTJBHMTQSA-N -1 3 498.608 5.158 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccn1 ZINC000224862620 569960679 /nfs/dbraw/zinc/96/06/79/569960679.db2.gz JUUMPLLGOVMLAT-RPWUZVMVSA-N -1 3 476.005 5.420 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000224868208 569960887 /nfs/dbraw/zinc/96/08/87/569960887.db2.gz SVPNJNDWKCVADA-IZZNHLLZSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(F)c1 ZINC000224869175 569960966 /nfs/dbraw/zinc/96/09/66/569960966.db2.gz JLKUYZOHKGTPAP-JWQCQUIFSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(F)cc1 ZINC000224869444 569961066 /nfs/dbraw/zinc/96/10/66/569961066.db2.gz VIRQAKBXHBSAQR-LOSJGSFVSA-N -1 3 493.007 6.164 40 10 JKCBHM COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224885800 569961898 /nfs/dbraw/zinc/96/18/98/569961898.db2.gz ZVXMAOMXGRWNKD-LOSJGSFVSA-N -1 3 491.016 5.725 40 10 JKCBHM CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000408886105 570064475 /nfs/dbraw/zinc/06/44/75/570064475.db2.gz IBDZXAYNZXJCSP-UHFFFAOYSA-N -1 3 478.957 5.193 40 10 JKCBHM CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1[O-] ZINC000409031084 570105821 /nfs/dbraw/zinc/10/58/21/570105821.db2.gz GNOWSHKPQAOFHA-RUDMXATFSA-N -1 3 491.210 5.055 40 10 JKCBHM CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)S1 ZINC000409079806 570121218 /nfs/dbraw/zinc/12/12/18/570121218.db2.gz MBCZIIYUUJJQNN-FZSIALSZSA-N -1 3 490.195 5.986 40 10 JKCBHM O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3[O-])SC2=S)c1 ZINC000409096326 570126834 /nfs/dbraw/zinc/12/68/34/570126834.db2.gz JPLMINRUNVYQFV-UDWIEESQSA-N -1 3 484.961 5.843 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3c4ccccc4cc4ccccc43)SC2=S)c(Cl)c1 ZINC000409139721 570143988 /nfs/dbraw/zinc/14/39/88/570143988.db2.gz DSRCWJCEEDLFSZ-OEAKJJBVSA-N -1 3 489.021 6.501 40 10 JKCBHM Cc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(C)n1-c1ccccc1 ZINC000409143372 570145581 /nfs/dbraw/zinc/14/55/81/570145581.db2.gz DSYGRYDHVQNIIB-FYJGNVAPSA-N -1 3 482.030 5.602 40 10 JKCBHM CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O ZINC000409143555 570145749 /nfs/dbraw/zinc/14/57/49/570145749.db2.gz HCPMNVVOYDHIGP-HMAPJEAMSA-N -1 3 497.041 6.137 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)c(Cl)c1 ZINC000409146339 570147161 /nfs/dbraw/zinc/14/71/61/570147161.db2.gz SIGRUCKNDRUCAS-PDGQHHTCSA-N -1 3 487.027 5.939 40 10 JKCBHM CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])cc21 ZINC000260914729 570163669 /nfs/dbraw/zinc/16/36/69/570163669.db2.gz HBICLFCTJSZYDI-RPBOFIJWSA-N -1 3 491.060 6.249 40 10 JKCBHM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000408526135 570185828 /nfs/dbraw/zinc/18/58/28/570185828.db2.gz ACPQKASHVRDACN-HAHDFKILSA-N -1 3 467.573 5.455 40 10 JKCBHM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(Br)c(C)c1 ZINC000408526150 570185857 /nfs/dbraw/zinc/18/58/57/570185857.db2.gz AMVGCNPMOFYSFC-YBEGLDIGSA-N -1 3 477.200 5.855 40 10 JKCBHM COc1cc(N=Cc2c(C)[n-]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)ccc1Cl ZINC000408526294 570185958 /nfs/dbraw/zinc/18/59/58/570185958.db2.gz ARVVFFIZYOGPHG-JLPGSUDCSA-N -1 3 476.020 6.535 40 10 JKCBHM CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408529100 570187030 /nfs/dbraw/zinc/18/70/30/570187030.db2.gz HBJRBRABGUDAEK-NVMNQCDNSA-N -1 3 499.803 5.731 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058845648 195380669 /nfs/dbraw/zinc/38/06/69/195380669.db2.gz SNTCOSRTYPAVAU-WZOHSFFVSA-N -1 3 477.542 5.231 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058845604 195380697 /nfs/dbraw/zinc/38/06/97/195380697.db2.gz SVJOLZLHDFRBQF-UZINWLIJSA-N -1 3 462.571 5.331 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000058845823 195380933 /nfs/dbraw/zinc/38/09/33/195380933.db2.gz YUZQNBDGTYTCHZ-SGIRGMQISA-N -1 3 495.442 6.385 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000058845892 195381042 /nfs/dbraw/zinc/38/10/42/195381042.db2.gz IQIXOVNVSSDBIM-LZCXECNNSA-N -1 3 491.569 5.539 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1 ZINC000058845800 195381086 /nfs/dbraw/zinc/38/10/86/195381086.db2.gz CKULSQCVOJDOTO-DFIYOIEZSA-N -1 3 450.991 6.276 40 10 JKCBHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1 ZINC000058845877 195381104 /nfs/dbraw/zinc/38/11/04/195381104.db2.gz GMXLLNRJMFBKFR-DFIYOIEZSA-N -1 3 484.543 6.641 40 10 JKCBHM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000058845757 195381174 /nfs/dbraw/zinc/38/11/74/195381174.db2.gz CVCRSLAOOMPRIV-BPYKYCOYSA-N -1 3 461.543 5.531 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1 ZINC000058846015 195381357 /nfs/dbraw/zinc/38/13/57/195381357.db2.gz VQNPOUAQMLYKON-DFIYOIEZSA-N -1 3 484.543 6.641 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1)N2 ZINC000058846111 195381435 /nfs/dbraw/zinc/38/14/35/195381435.db2.gz GIKMAOPKIVHUFW-QHWMMSMNSA-N -1 3 460.599 5.885 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000058846162 195381459 /nfs/dbraw/zinc/38/14/59/195381459.db2.gz NSHUPYQIZUXWIS-VVZHRXSXSA-N -1 3 475.570 5.785 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1 ZINC000058846031 195381480 /nfs/dbraw/zinc/38/14/80/195381480.db2.gz LVBYJARXZUXUJW-LZCXECNNSA-N -1 3 460.555 5.351 40 10 JKCBHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1OC)N2 ZINC000058846117 195381507 /nfs/dbraw/zinc/38/15/07/195381507.db2.gz KVTOGIHJRXXSLL-TYPXCFOJSA-N -1 3 490.625 5.894 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058846460 195381704 /nfs/dbraw/zinc/38/17/04/195381704.db2.gz DHMNMOXWEYJIHI-TYPXCFOJSA-N -1 3 490.625 5.948 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058846355 195381763 /nfs/dbraw/zinc/38/17/63/195381763.db2.gz XPAPGBJCBNESAI-TYPXCFOJSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058846499 195381769 /nfs/dbraw/zinc/38/17/69/195381769.db2.gz BYDKWDKNPJEGOW-BOCWGRARSA-N -1 3 486.681 7.228 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1 ZINC000058846398 195381775 /nfs/dbraw/zinc/38/17/75/195381775.db2.gz HQTWPXSSOGSYPS-BOCWGRARSA-N -1 3 488.653 6.718 40 10 JKCBHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1 ZINC000058846379 195381787 /nfs/dbraw/zinc/38/17/87/195381787.db2.gz BJVMTQAMYYWKJV-VVZHRXSXSA-N -1 3 475.570 5.839 40 10 JKCBHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058846446 195381792 /nfs/dbraw/zinc/38/17/92/195381792.db2.gz VLIHXSVAOJONFN-ANSQWYIGSA-N -1 3 499.463 7.238 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058846467 195381834 /nfs/dbraw/zinc/38/18/34/195381834.db2.gz FMYCXDIYMQWKBD-PFPZSTESSA-N -1 3 490.625 5.948 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058846545 195381846 /nfs/dbraw/zinc/38/18/46/195381846.db2.gz QGOROOYAVJTXEB-JWZKTCGFSA-N -1 3 490.625 5.948 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1 ZINC000058846772 195381945 /nfs/dbraw/zinc/38/19/45/195381945.db2.gz CDPUDZAUTGLXKW-CLCZQPDDSA-N -1 3 479.045 7.091 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1 ZINC000058846864 195381989 /nfs/dbraw/zinc/38/19/89/195381989.db2.gz YCQKVHQODUPHDQ-SXDGJLEOSA-N -1 3 488.609 6.166 40 10 JKCBHM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846688 195382007 /nfs/dbraw/zinc/38/20/07/195382007.db2.gz DEAZGKGSEHODFB-CLCZQPDDSA-N -1 3 488.609 5.717 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1 ZINC000058846764 195382014 /nfs/dbraw/zinc/38/20/14/195382014.db2.gz VPGSRZZHLKNDPQ-XXAUWVGASA-N -1 3 479.045 7.091 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1 ZINC000058846709 195382032 /nfs/dbraw/zinc/38/20/32/195382032.db2.gz CASUEDUXNXPBDO-UZINWLIJSA-N -1 3 498.570 6.950 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058846798 195382061 /nfs/dbraw/zinc/38/20/61/195382061.db2.gz WKBDLKFSDVAKSV-JWZKTCGFSA-N -1 3 474.626 6.446 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1C ZINC000058846564 195382078 /nfs/dbraw/zinc/38/20/78/195382078.db2.gz AOYLJQDYHWOTQG-UZINWLIJSA-N -1 3 475.570 5.839 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000058846719 195382168 /nfs/dbraw/zinc/38/21/68/195382168.db2.gz IUGFIUXJWUBQPL-OREGWCPLSA-N -1 3 474.582 5.659 40 10 JKCBHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1 ZINC000058846844 195382174 /nfs/dbraw/zinc/38/21/74/195382174.db2.gz WIYDEKBGYXTVSX-XXAUWVGASA-N -1 3 489.597 6.346 40 10 JKCBHM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846670 195382195 /nfs/dbraw/zinc/38/21/95/195382195.db2.gz LXROQDXEIYPWSF-JWZKTCGFSA-N -1 3 490.625 5.948 40 10 JKCBHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000058846646 195382206 /nfs/dbraw/zinc/38/22/06/195382206.db2.gz AKHMKBAOWLBXCX-UNVFRBQDSA-N -1 3 499.463 7.238 40 10 JKCBHM O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058846975 195382306 /nfs/dbraw/zinc/38/23/06/195382306.db2.gz RSFWEGDFXWUDFZ-SRGWNRLKSA-N -1 3 499.951 6.015 40 10 JKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058847140 195382311 /nfs/dbraw/zinc/38/23/11/195382311.db2.gz JURJJRQSUNDZDY-GLDPYIMESA-N -1 3 465.506 5.361 40 10 JKCBHM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847128 195382513 /nfs/dbraw/zinc/38/25/13/195382513.db2.gz GCGQFIHWUGNWDA-PPJWLVRDSA-N -1 3 464.562 5.852 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058846887 195382525 /nfs/dbraw/zinc/38/25/25/195382525.db2.gz IVBRTUNVILRBJH-WTNLLYQRSA-N -1 3 492.644 7.289 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058847010 195382531 /nfs/dbraw/zinc/38/25/31/195382531.db2.gz FRVZHGNORKJPCM-GNBJCERTSA-N -1 3 480.561 5.470 40 10 JKCBHM O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[C@H]2C=CC[C@H]21 ZINC000058847447 195382712 /nfs/dbraw/zinc/38/27/12/195382712.db2.gz RYANPEYZULWXTL-GLDPYIMESA-N -1 3 481.961 5.876 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847811 195382928 /nfs/dbraw/zinc/38/29/28/195382928.db2.gz JOFNARXBHPTBEW-SGIRGMQISA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058847490 195382952 /nfs/dbraw/zinc/38/29/52/195382952.db2.gz UPDGVUBNNYDUPC-SGIRGMQISA-N -1 3 450.991 6.276 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[C@H]2C=CC[C@H]21 ZINC000058847540 195382978 /nfs/dbraw/zinc/38/29/78/195382978.db2.gz NTPKAENASALVNS-DFIYOIEZSA-N -1 3 466.990 5.976 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058847816 195383120 /nfs/dbraw/zinc/38/31/20/195383120.db2.gz IYGXLQPMAWPTDK-SGIRGMQISA-N -1 3 485.436 6.929 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058847564 195383134 /nfs/dbraw/zinc/38/31/34/195383134.db2.gz JXHAABXETKTWRG-LZCXECNNSA-N -1 3 497.016 5.985 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058848017 195383206 /nfs/dbraw/zinc/38/32/06/195383206.db2.gz DCJLEDOEVDBTES-CEYNDMKZSA-N -1 3 485.436 6.929 40 10 JKCBHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058847889 195383329 /nfs/dbraw/zinc/38/33/29/195383329.db2.gz AKZFTRGDDBUROZ-ATLLOTDBSA-N -1 3 468.981 6.415 40 10 JKCBHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000058848064 195383349 /nfs/dbraw/zinc/38/33/49/195383349.db2.gz QDYZRSJNOCSCKP-CEYNDMKZSA-N -1 3 495.988 6.184 40 10 JKCBHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058848127 195383483 /nfs/dbraw/zinc/38/34/83/195383483.db2.gz FYTRZAZPHHVAIN-BPYKYCOYSA-N -1 3 485.436 6.929 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)cc1 ZINC000058848485 195383562 /nfs/dbraw/zinc/38/35/62/195383562.db2.gz QEEIFOCNCBVGRC-XXAUWVGASA-N -1 3 492.597 5.340 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1Cl ZINC000058848204 195383650 /nfs/dbraw/zinc/38/36/50/195383650.db2.gz NPFYRMOLLNMECK-CEYNDMKZSA-N -1 3 485.436 6.929 40 10 JKCBHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058848321 195383661 /nfs/dbraw/zinc/38/36/61/195383661.db2.gz MVXXJLBFYGJFKV-YZUZCNPQSA-N -1 3 481.415 6.076 40 10 JKCBHM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000058848362 195383676 /nfs/dbraw/zinc/38/36/76/195383676.db2.gz KDNKMZLOMPHMGE-YZUZCNPQSA-N -1 3 470.516 6.333 40 10 JKCBHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058848193 195383708 /nfs/dbraw/zinc/38/37/08/195383708.db2.gz SJYQTMNDUCLYEW-VVZHRXSXSA-N -1 3 465.018 6.584 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)c1 ZINC000058848803 195383915 /nfs/dbraw/zinc/38/39/15/195383915.db2.gz XPPLSIWZRSDDCN-XXAUWVGASA-N -1 3 492.597 5.340 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1 ZINC000058848848 195384001 /nfs/dbraw/zinc/38/40/01/195384001.db2.gz CLZJIIHXOVXZMY-LZCXECNNSA-N -1 3 476.554 5.051 40 10 JKCBHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)cc1OC ZINC000058849479 195384824 /nfs/dbraw/zinc/38/48/24/195384824.db2.gz JVERMSFOVCFUAH-TYPXCFOJSA-N -1 3 490.625 5.948 40 10 JKCBHM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 ZINC000058850058 195384930 /nfs/dbraw/zinc/38/49/30/195384930.db2.gz NYYBGEATPXIYMC-TYPXCFOJSA-N -1 3 470.569 6.606 40 10 JKCBHM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058850134 195384984 /nfs/dbraw/zinc/38/49/84/195384984.db2.gz XLVYPVJGGBBGSX-DFIYOIEZSA-N -1 3 462.571 5.331 40 10 JKCBHM COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2[C@H]2C=CC[C@H]21 ZINC000058850067 195385058 /nfs/dbraw/zinc/38/50/58/195385058.db2.gz ZZJBSUAJVLDGMB-CTWZREHQSA-N -1 3 482.605 6.476 40 10 JKCBHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1 ZINC000058850178 195385152 /nfs/dbraw/zinc/38/51/52/195385152.db2.gz OBWLRSFZSARMGE-CEYNDMKZSA-N -1 3 468.981 6.415 40 10 JKCBHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000058850238 195385312 /nfs/dbraw/zinc/38/53/12/195385312.db2.gz RURYCIPBJZNNPV-RHGYRFJNSA-N -1 3 489.399 6.760 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1 ZINC000058850282 195385401 /nfs/dbraw/zinc/38/54/01/195385401.db2.gz AIBAECJAPHOBDZ-CEYNDMKZSA-N -1 3 484.980 6.115 40 10 JKCBHM Cc1ccccc1N1C(=O)C(=Cc2c([O-])ccc3ccccc23)C(=O)N(c2ccccc2C)C1=O ZINC000059391295 195398658 /nfs/dbraw/zinc/39/86/58/195398658.db2.gz LQINLKRHVWEEMR-UHFFFAOYSA-N -1 3 462.505 5.746 40 10 JKCBHM COc1ccc(S(=O)(=O)[N-]c2cc(-n3c(C)c(C)c4ccccc43)c(O)c(C)c2C)cc1 ZINC000016807681 525078418 /nfs/dbraw/zinc/07/84/18/525078418.db2.gz DYEUISJGYDMMAC-UHFFFAOYSA-N -1 3 450.560 5.379 40 10 JKCBHM Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c(C)c2O)c2ccccc12 ZINC000016779648 525676749 /nfs/dbraw/zinc/67/67/49/525676749.db2.gz KVKOBYSXAGMYLZ-UHFFFAOYSA-N -1 3 454.979 6.024 40 10 JKCBHM CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005581074 554492359 /nfs/dbraw/zinc/49/23/59/554492359.db2.gz NQIJMZSOWUXEOX-VWLOTQADSA-N -1 3 497.511 5.784 40 10 JKCBHM O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc(Cl)ccc1[O-] ZINC000008819682 554705404 /nfs/dbraw/zinc/70/54/04/554705404.db2.gz ZWRSZQWLYCMHIS-UYRXBGFRSA-N -1 3 461.008 5.446 40 10 JKCBHM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000013640631 555547200 /nfs/dbraw/zinc/54/72/00/555547200.db2.gz PUNKWEIJWICXIK-LZCXECNNSA-N -1 3 492.597 5.340 40 10 JKCBHM COC(=O)C=c1[n-]n(-c2ccccc2)c(=O)c1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000020287168 555755338 /nfs/dbraw/zinc/75/53/38/555755338.db2.gz SVVHZSIARORPIU-ITYLOYPMSA-N -1 3 470.529 5.091 40 10 JKCBHM CCOc1ccc(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000020289074 555759683 /nfs/dbraw/zinc/75/96/83/555759683.db2.gz CXJXMOBECHZNBE-ULJHMMPZSA-N -1 3 472.501 5.139 40 10 JKCBHM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000014479136 555814495 /nfs/dbraw/zinc/81/44/95/555814495.db2.gz WEUCBLOMXRNQCI-LZCXECNNSA-N -1 3 462.571 5.331 40 10 JKCBHM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1 ZINC000016228082 556130468 /nfs/dbraw/zinc/13/04/68/556130468.db2.gz YADXUNCPNMZVDH-DFIYOIEZSA-N -1 3 477.542 5.231 40 10 JKCBHM COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc([O-])cc3)S2)cc1 ZINC000028295145 556330263 /nfs/dbraw/zinc/33/02/63/556330263.db2.gz QZHPHTHWTODDHF-AUAXKSBWSA-N -1 3 455.539 5.222 40 10 JKCBHM CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccc2ccccc2c1)c1ccc2ccccc2c1[O-] ZINC000019144523 556332017 /nfs/dbraw/zinc/33/20/17/556332017.db2.gz LIGJTOORBLXUCK-HHHXNRCGSA-N -1 3 463.514 7.852 40 10 JKCBHM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc(Br)c1[O-] ZINC000032099617 556416133 /nfs/dbraw/zinc/41/61/33/556416133.db2.gz WMCZMJAOOMDDTJ-QPEQYQDCSA-N -1 3 489.675 5.555 40 10 JKCBHM CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000032111750 556420504 /nfs/dbraw/zinc/42/05/04/556420504.db2.gz BKKKECPTSZGUMY-LPYMAVHISA-N -1 3 480.973 5.577 40 10 JKCBHM CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1=O ZINC000101181688 569786295 /nfs/dbraw/zinc/78/62/95/569786295.db2.gz PROHNLRRZLTDRT-XJUOHMSHSA-N -1 3 499.350 5.149 40 10 JKCBHM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Br)cc1 ZINC000103918848 569839166 /nfs/dbraw/zinc/83/91/66/569839166.db2.gz MBKFSVJDHHCUKO-UYRXBGFRSA-N -1 3 455.381 5.948 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C)cc1 ZINC000224601552 569950093 /nfs/dbraw/zinc/95/00/93/569950093.db2.gz SCEHQANTUMWJQJ-CLJLJLNGSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cccc(C)c1 ZINC000224601342 569950103 /nfs/dbraw/zinc/95/01/03/569950103.db2.gz VURZWBXPHSECNQ-CLJLJLNGSA-N -1 3 454.599 5.680 40 10 JKCBHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1C ZINC000224601222 569950150 /nfs/dbraw/zinc/95/01/50/569950150.db2.gz ICXMJMCSUWMUQS-IZZNHLLZSA-N -1 3 454.599 5.680 40 10 JKCBHM CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224602263 569950164 /nfs/dbraw/zinc/95/01/64/569950164.db2.gz SJMHOJSSVSESNV-RRPNLBNLSA-N -1 3 468.626 5.934 40 10 JKCBHM CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224602309 569950168 /nfs/dbraw/zinc/95/01/68/569950168.db2.gz SJMHOJSSVSESNV-SVBPBHIXSA-N -1 3 468.626 5.934 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccccc1Cl ZINC000224603046 569950205 /nfs/dbraw/zinc/95/02/05/569950205.db2.gz XWVXGCSOJWFPNI-RPBOFIJWSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000224603463 569950276 /nfs/dbraw/zinc/95/02/76/569950276.db2.gz NTTPWHCAEVNNRD-RPBOFIJWSA-N -1 3 475.017 6.025 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(O)cc1 ZINC000224604529 569950286 /nfs/dbraw/zinc/95/02/86/569950286.db2.gz SJLVJBPFQMZWED-RPBOFIJWSA-N -1 3 456.571 5.077 40 10 JKCBHM COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])c2C)cc1 ZINC000224604953 569950361 /nfs/dbraw/zinc/95/03/61/569950361.db2.gz NYFALYTYEHQHFO-FTJBHMTQSA-N -1 3 470.598 5.380 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(N(C)C)cc1 ZINC000224605756 569950400 /nfs/dbraw/zinc/95/04/00/569950400.db2.gz NYGBKXWNLFGVDM-KAYWLYCHSA-N -1 3 483.641 5.438 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000224607250 569950454 /nfs/dbraw/zinc/95/04/54/569950454.db2.gz VYIGAWYTMXSSJX-KAYWLYCHSA-N -1 3 468.626 5.989 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1c(C)cccc1C ZINC000224607191 569950462 /nfs/dbraw/zinc/95/04/62/569950462.db2.gz YGHJRDBGVYTGHT-BDYUSTAISA-N -1 3 468.626 5.989 40 10 JKCBHM CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224609350 569950536 /nfs/dbraw/zinc/95/05/36/569950536.db2.gz YIHKKHGPQVDQPF-IXCJQBJRSA-N -1 3 482.653 6.243 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ncccc1C ZINC000224609815 569950598 /nfs/dbraw/zinc/95/05/98/569950598.db2.gz COUUIPIXYPYIKA-RPWUZVMVSA-N -1 3 455.587 5.075 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1-c1ccc(C)cn1 ZINC000224610115 569950643 /nfs/dbraw/zinc/95/06/43/569950643.db2.gz UVWOUAZIDPRTFL-DQEYMECFSA-N -1 3 455.587 5.075 40 10 JKCBHM COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1C ZINC000224622770 569951250 /nfs/dbraw/zinc/95/12/50/569951250.db2.gz RORKYQWFPIJZFR-UIOOFZCWSA-N -1 3 498.608 5.158 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccccc1C ZINC000224867988 569960929 /nfs/dbraw/zinc/96/09/29/569960929.db2.gz KTIVIOJEBXTLOC-FTJBHMTQSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(F)c1 ZINC000224869298 569960949 /nfs/dbraw/zinc/96/09/49/569960949.db2.gz JLKUYZOHKGTPAP-DQEYMECFSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(F)cc1 ZINC000224869357 569960993 /nfs/dbraw/zinc/96/09/93/569960993.db2.gz VIRQAKBXHBSAQR-JWQCQUIFSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1cccc(F)c1 ZINC000224869209 569961003 /nfs/dbraw/zinc/96/10/03/569961003.db2.gz JLKUYZOHKGTPAP-RPBOFIJWSA-N -1 3 493.007 6.164 40 10 JKCBHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(C)cc1 ZINC000224868296 569961011 /nfs/dbraw/zinc/96/10/11/569961011.db2.gz WIYPKZCDRHGQJT-CLJLJLNGSA-N -1 3 489.044 6.334 40 10 JKCBHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c(C)n1-c1ccc(F)cc1 ZINC000224869488 569961028 /nfs/dbraw/zinc/96/10/28/569961028.db2.gz VIRQAKBXHBSAQR-DQEYMECFSA-N -1 3 493.007 6.164 40 10 JKCBHM Brc1ccc(-c2nnc(N=Nc3n[nH+]c(-c4ccc(Br)cc4)[n-]3)[n-]2)cc1 ZINC000408718169 570025906 /nfs/dbraw/zinc/02/59/06/570025906.db2.gz NWYRDPZAPLGAJW-OCEACIFDSA-N -1 3 474.120 5.197 40 10 JKCBHM O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2sc3ccccc3c2Cl)N1c1ccc([O-])cc1 ZINC000408840260 570053521 /nfs/dbraw/zinc/05/35/21/570053521.db2.gz CYXOTZBIWCWKIC-QGOAFFKASA-N -1 3 475.913 6.003 40 10 JKCBHM CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409025481 570104245 /nfs/dbraw/zinc/10/42/45/570104245.db2.gz VOJYSPVGZFGPLL-ZDLGFXPLSA-N -1 3 465.358 5.078 40 10 JKCBHM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1[O-] ZINC000409092930 570125481 /nfs/dbraw/zinc/12/54/81/570125481.db2.gz XWRKJEIVORDKDJ-UYRXBGFRSA-N -1 3 463.331 5.388 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)c(Cl)c1 ZINC000409140224 570144243 /nfs/dbraw/zinc/14/42/43/570144243.db2.gz GPCMCULBJQKHEE-OQLLNIDSSA-N -1 3 456.898 5.213 40 10 JKCBHM CCN(CC)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409142045 570145107 /nfs/dbraw/zinc/14/51/07/570145107.db2.gz PQPUGPPCAVKZKK-CPNJWEJPSA-N -1 3 460.024 5.041 40 10 JKCBHM CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC ZINC000409145107 570146498 /nfs/dbraw/zinc/14/64/98/570146498.db2.gz MEGXRXSVCLSOOO-GQFJFNLSSA-N -1 3 491.034 5.381 40 10 JKCBHM CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([N-]C(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1 ZINC000409149494 570148643 /nfs/dbraw/zinc/14/86/43/570148643.db2.gz HXONBOKZOYRDHV-CIAFOILYSA-N -1 3 496.997 5.657 40 10 JKCBHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c(Cl)c1 ZINC000409149557 570148658 /nfs/dbraw/zinc/14/86/58/570148658.db2.gz JSFFMLIVVOUNQQ-RIYZIHGNSA-N -1 3 457.791 5.501 40 10 JKCBHM CCCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1 ZINC000409149823 570148758 /nfs/dbraw/zinc/14/87/58/570148758.db2.gz RROHDNOHSKZCAK-UYRXBGFRSA-N -1 3 461.008 5.374 40 10 JKCBHM COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1[O-] ZINC000409197751 570164034 /nfs/dbraw/zinc/16/40/34/570164034.db2.gz NZCJNJDNBXPROB-AUWJEWJLSA-N -1 3 456.770 5.223 40 10 JKCBHM Cc1cc(-c2nc3ccccc3c(=O)[n-]2)c(C)n1-c1ccc(I)c(C)c1 ZINC000409262477 570187779 /nfs/dbraw/zinc/18/77/79/570187779.db2.gz FGMYPCTYWOFYJO-UHFFFAOYSA-N -1 3 455.299 5.323 40 10 JKCBHM COc1cc([C@@H](Nc2nccs2)c2ccc3ccccc3c2[O-])ccc1OCc1ccccc1 ZINC000408533369 570189087 /nfs/dbraw/zinc/18/90/87/570189087.db2.gz QQCOTVIJGOLDFR-AREMUKBSSA-N -1 3 468.578 6.791 40 10 JKCBHM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1[O-] ZINC000409328019 570202741 /nfs/dbraw/zinc/20/27/41/570202741.db2.gz PDNHKPLDBKGCBU-YBEGLDIGSA-N -1 3 450.379 5.268 40 10 JKCBHM COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000408585781 570208020 /nfs/dbraw/zinc/20/80/20/570208020.db2.gz IMNHNNGXTWDCMG-ZSOIEALJSA-N -1 3 483.145 5.339 40 10 JKCBHM COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-] ZINC000408588409 570208563 /nfs/dbraw/zinc/20/85/63/570208563.db2.gz WCDVRVVXRGLEID-SOFYXZRVSA-N -1 3 483.145 5.339 40 10 JKCBHM