smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc2ccccc2o1 ZINC000005269522 568384268 /nfs/dbraw/zinc/38/42/68/568384268.db2.gz FZZVRBJTIPUENH-XMHGGMMESA-N -1 0 355.393 5.510 20 0 FKADRM CCCCOc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000005798233 568393776 /nfs/dbraw/zinc/39/37/76/568393776.db2.gz NBGFLZWPXUIXCH-DTQAZKPQSA-N -1 0 351.402 5.022 20 0 FKADRM CCOc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000006429729 210087809 /nfs/dbraw/zinc/08/78/09/210087809.db2.gz RWAHSFWNFOSIJP-FYWRMAATSA-N -1 0 353.443 5.100 20 0 FKADRM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc([O-])c(Cl)c1 ZINC000006968780 568407393 /nfs/dbraw/zinc/40/73/93/568407393.db2.gz IAGSHKFGYRVGBS-UHFFFAOYSA-N -1 0 365.241 5.075 20 0 FKADRM COc1ccc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000007336260 568498756 /nfs/dbraw/zinc/49/87/56/568498756.db2.gz AUXCOMJTRIXVDU-FYWRMAATSA-N -1 0 353.443 5.100 20 0 FKADRM O=C([O-])CCC/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000007336263 568498903 /nfs/dbraw/zinc/49/89/03/568498903.db2.gz HCGBKNJGWHOENZ-SDNWHVSQSA-N -1 0 368.414 5.000 20 0 FKADRM COc1cccc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)c1 ZINC000007336287 568498908 /nfs/dbraw/zinc/49/89/08/568498908.db2.gz UJPWUTNOIRAANL-NTCAYCPXSA-N -1 0 353.443 5.100 20 0 FKADRM O=C([O-])CCC/C(=C\c1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000007336352 568498881 /nfs/dbraw/zinc/49/88/81/568498881.db2.gz CEFKNZPODMYSAB-JLHYYAGUSA-N -1 0 359.397 5.370 20 0 FKADRM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C(C)C)cccc1C(C)C ZINC000007417547 568505395 /nfs/dbraw/zinc/50/53/95/568505395.db2.gz GZTLAGRNLYVFIN-UHFFFAOYSA-N -1 0 361.507 5.051 20 0 FKADRM Oc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 ZINC000007503331 568524004 /nfs/dbraw/zinc/52/40/04/568524004.db2.gz PWZIERRRAVXATO-DTQAZKPQSA-N -1 0 369.449 5.467 20 0 FKADRM O=C([O-])Cc1c(-c2ccc(F)cc2)nc2ccccc2c1-c1ccccc1 ZINC000007847257 207210349 /nfs/dbraw/zinc/21/03/49/207210349.db2.gz ZKVZYQKJVAWGQS-UHFFFAOYSA-N -1 0 357.384 5.335 20 0 FKADRM Cc1ccsc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000013121810 220058470 /nfs/dbraw/zinc/05/84/70/220058470.db2.gz WGYDGVPXPLIPIR-UHFFFAOYSA-N -1 0 366.467 5.291 20 0 FKADRM CCc1ccc(Cl)c(CC)c1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000013466803 211033492 /nfs/dbraw/zinc/03/34/92/211033492.db2.gz MUXLUQMOWUFMLQ-UHFFFAOYSA-N -1 0 365.901 5.219 20 0 FKADRM CCOc1ccc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000024657040 207872258 /nfs/dbraw/zinc/87/22/58/207872258.db2.gz QXKBMNHAWFAJHD-JQIJEIRASA-N -1 0 367.470 5.491 20 0 FKADRM Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c(O)c1 ZINC000104745651 206000797 /nfs/dbraw/zinc/00/07/97/206000797.db2.gz COSCYSHWJMBAFU-UHFFFAOYSA-N -1 0 366.467 5.291 20 0 FKADRM O=C([O-])CCC/C(=C/c1ccc(O)c(Cl)c1)c1nc2ccccc2s1 ZINC000109266365 206051586 /nfs/dbraw/zinc/05/15/86/206051586.db2.gz UFDBCVHVHLDTFT-RAXLEYEMSA-N -1 0 373.861 5.451 20 0 FKADRM O=C([O-])CC/C(=C/c1ccc(O)c(Cl)c1)c1nc2ccccc2s1 ZINC000109267693 209301333 /nfs/dbraw/zinc/30/13/33/209301333.db2.gz RLTMFYFYZODLQN-XFXZXTDPSA-N -1 0 359.834 5.061 20 0 FKADRM C[C@H](Oc1ccccc1NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000186814760 567987588 /nfs/dbraw/zinc/98/75/88/567987588.db2.gz WTKBYLKSBKMEBS-ZDUSSCGKSA-N -1 0 369.367 5.063 20 0 FKADRM C[C@@H](Oc1ccccc1NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000186814778 567987557 /nfs/dbraw/zinc/98/75/57/567987557.db2.gz WTKBYLKSBKMEBS-CYBMUJFWSA-N -1 0 369.367 5.063 20 0 FKADRM CCOc1ccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000213145762 567920163 /nfs/dbraw/zinc/92/01/63/567920163.db2.gz RWAHSFWNFOSIJP-SQFISAMPSA-N -1 0 353.443 5.100 20 0 FKADRM O=C([O-])c1ccc(NC(=O)N(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000548590665 567828754 /nfs/dbraw/zinc/82/87/54/567828754.db2.gz SQVOPRSKFOZYMN-UHFFFAOYSA-N -1 0 366.804 5.408 20 0 FKADRM CCc1ccc(C(=O)[O-])cc1NC(=O)N(c1ccccc1)c1ccccc1 ZINC000548592573 567829154 /nfs/dbraw/zinc/82/91/54/567829154.db2.gz OLDVOFXXMBMLES-UHFFFAOYSA-N -1 0 360.413 5.317 20 0 FKADRM CCSc1ccc(Cl)cc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000549306296 568013458 /nfs/dbraw/zinc/01/34/58/568013458.db2.gz MMLYNDUSBHGKEW-UHFFFAOYSA-N -1 0 366.817 5.180 20 0 FKADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000550143784 568043085 /nfs/dbraw/zinc/04/30/85/568043085.db2.gz KYRFIOCQXHGGAR-UHFFFAOYSA-N -1 0 374.849 5.164 20 0 FKADRM O=C(Nc1cc(F)ccc1SCC(F)F)c1cc(F)ccc1Cl ZINC000551325835 568210680 /nfs/dbraw/zinc/21/06/80/568210680.db2.gz MRDBZLWOWQVKGW-UHFFFAOYSA-N -1 0 363.763 5.228 20 0 FKADRM O=C([O-])C[C@@H]([NH2+]Cc1cccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000551433013 568229587 /nfs/dbraw/zinc/22/95/87/568229587.db2.gz BJTBYOQYUNTKGD-LJQANCHMSA-N -1 0 373.374 5.164 20 0 FKADRM CC(C)c1ccoc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccco1 ZINC000551445845 568229742 /nfs/dbraw/zinc/22/97/42/568229742.db2.gz RMRXGMZCFHQUMH-UHFFFAOYSA-N -1 0 363.369 5.226 20 0 FKADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(O)ccc1Cl ZINC000551594930 568236775 /nfs/dbraw/zinc/23/67/75/568236775.db2.gz FTXHMJDMHQBMCO-UHFFFAOYSA-N -1 0 372.774 5.139 20 0 FKADRM Cc1oc(C(C)C)cc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000552139033 568259132 /nfs/dbraw/zinc/25/91/32/568259132.db2.gz QXQVZDYMRGVADV-UHFFFAOYSA-N -1 0 362.640 5.630 20 0 FKADRM O=C(Cc1coc2ccccc12)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000552139203 568259115 /nfs/dbraw/zinc/25/91/15/568259115.db2.gz ZPYZEMWHHBEEHT-UHFFFAOYSA-N -1 0 370.619 5.280 20 0 FKADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)cc1 ZINC000552350093 568270009 /nfs/dbraw/zinc/27/00/09/568270009.db2.gz RYLOBKRLPCXZKQ-UHFFFAOYSA-N -1 0 367.788 5.083 20 0 FKADRM O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cc(O)ccc1Cl ZINC000552824756 568291814 /nfs/dbraw/zinc/29/18/14/568291814.db2.gz NBOMWCUFWHCLOL-UHFFFAOYSA-N -1 0 365.241 5.075 20 0 FKADRM C[C@](CC(=O)[O-])(C(=O)Nc1cc(C(F)F)ccc1Cl)C1CCCCC1 ZINC000553187373 568318478 /nfs/dbraw/zinc/31/84/78/568318478.db2.gz BZTPVSUMAMDCJT-GOSISDBHSA-N -1 0 373.827 5.277 20 0 FKADRM C[C@@](CC(=O)[O-])(C(=O)Nc1cc(C(F)F)ccc1Cl)C1CCCCC1 ZINC000553187374 568318489 /nfs/dbraw/zinc/31/84/89/568318489.db2.gz BZTPVSUMAMDCJT-SFHVURJKSA-N -1 0 373.827 5.277 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1(c2c(Cl)cccc2Cl)CC1 ZINC000553662385 568396405 /nfs/dbraw/zinc/39/64/05/568396405.db2.gz IYVVDWRDAWYGCM-UHFFFAOYSA-N -1 0 374.626 5.162 20 0 FKADRM O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc(Cl)c([O-])cc1F ZINC000553662485 568396353 /nfs/dbraw/zinc/39/63/53/568396353.db2.gz PJHQREDUBNTFPP-UHFFFAOYSA-N -1 0 359.784 5.016 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000553671501 568396409 /nfs/dbraw/zinc/39/64/09/568396409.db2.gz PZFNHPOQDHDIJA-CABCVRRESA-N -1 0 355.796 5.080 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000553671508 568396371 /nfs/dbraw/zinc/39/63/71/568396371.db2.gz PZFNHPOQDHDIJA-GJZGRUSLSA-N -1 0 355.796 5.080 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000553671510 568396376 /nfs/dbraw/zinc/39/63/76/568396376.db2.gz PZFNHPOQDHDIJA-HUUCEWRRSA-N -1 0 355.796 5.080 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000553671511 568396369 /nfs/dbraw/zinc/39/63/69/568396369.db2.gz PZFNHPOQDHDIJA-LSDHHAIUSA-N -1 0 355.796 5.080 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000553686208 568396697 /nfs/dbraw/zinc/39/66/97/568396697.db2.gz BNMXOXHKRKQYLG-UHFFFAOYSA-N -1 0 371.220 5.147 20 0 FKADRM O=C(CC1(CSc2ccccc2)CC1)Nc1cc(Cl)c([O-])cc1F ZINC000553686395 568396692 /nfs/dbraw/zinc/39/66/92/568396692.db2.gz GPOJIDKHVVLAPA-UHFFFAOYSA-N -1 0 365.857 5.086 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1(Sc2ccccc2)CCCC1 ZINC000553689625 568396769 /nfs/dbraw/zinc/39/67/69/568396769.db2.gz KWIHTIVRFKZEEE-UHFFFAOYSA-N -1 0 365.857 5.228 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000553692678 568396787 /nfs/dbraw/zinc/39/67/87/568396787.db2.gz GZYFAHCVSRBTOC-CABCVRRESA-N -1 0 355.796 5.080 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000553692679 568396753 /nfs/dbraw/zinc/39/67/53/568396753.db2.gz GZYFAHCVSRBTOC-GJZGRUSLSA-N -1 0 355.796 5.080 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000553692680 568396746 /nfs/dbraw/zinc/39/67/46/568396746.db2.gz GZYFAHCVSRBTOC-HUUCEWRRSA-N -1 0 355.796 5.080 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000553692681 568396773 /nfs/dbraw/zinc/39/67/73/568396773.db2.gz GZYFAHCVSRBTOC-LSDHHAIUSA-N -1 0 355.796 5.080 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(-c2ccc(F)cc2)s1 ZINC000553695728 568396849 /nfs/dbraw/zinc/39/68/49/568396849.db2.gz SDSQKTBBQBEHOT-UHFFFAOYSA-N -1 0 365.788 5.305 20 0 FKADRM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000553696956 568396814 /nfs/dbraw/zinc/39/68/14/568396814.db2.gz ICJGEWDLESDZHC-UHFFFAOYSA-N -1 0 369.779 5.645 20 0 FKADRM CC(C)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c2ccccc2n1 ZINC000554012724 568402688 /nfs/dbraw/zinc/40/26/88/568402688.db2.gz OZAGJAIYHRFHER-UHFFFAOYSA-N -1 0 358.800 5.109 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000554015118 568402714 /nfs/dbraw/zinc/40/27/14/568402714.db2.gz KFUNYVHEFAMFOV-BDAKNGLRSA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000554015125 568402726 /nfs/dbraw/zinc/40/27/26/568402726.db2.gz KFUNYVHEFAMFOV-DTWKUNHWSA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000554015127 568402707 /nfs/dbraw/zinc/40/27/07/568402707.db2.gz KFUNYVHEFAMFOV-IUCAKERBSA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000554015128 568402691 /nfs/dbraw/zinc/40/26/91/568402691.db2.gz KFUNYVHEFAMFOV-RKDXNWHRSA-N -1 0 374.626 5.234 20 0 FKADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2cc(Cl)c([O-])cc2F)C1 ZINC000554015203 568402681 /nfs/dbraw/zinc/40/26/81/568402681.db2.gz RPNBGTITFQTQDL-UONOGXRCSA-N -1 0 371.880 5.279 20 0 FKADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2cc(Cl)c([O-])cc2F)C1 ZINC000554015204 568402722 /nfs/dbraw/zinc/40/27/22/568402722.db2.gz RPNBGTITFQTQDL-ZIAGYGMSSA-N -1 0 371.880 5.279 20 0 FKADRM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)c([O-])cc1F ZINC000554024832 568402775 /nfs/dbraw/zinc/40/27/75/568402775.db2.gz HMJSJECHQIMFGS-UHFFFAOYSA-N -1 0 355.796 5.033 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000554026687 568402881 /nfs/dbraw/zinc/40/28/81/568402881.db2.gz KYMBZTAHHQDPJO-BDAKNGLRSA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000554026688 568402837 /nfs/dbraw/zinc/40/28/37/568402837.db2.gz KYMBZTAHHQDPJO-DTWKUNHWSA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000554026689 568402839 /nfs/dbraw/zinc/40/28/39/568402839.db2.gz KYMBZTAHHQDPJO-IUCAKERBSA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000554026690 568402864 /nfs/dbraw/zinc/40/28/64/568402864.db2.gz KYMBZTAHHQDPJO-RKDXNWHRSA-N -1 0 374.626 5.234 20 0 FKADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000554032893 568402970 /nfs/dbraw/zinc/40/29/70/568402970.db2.gz DWVSDWHIVLGKGR-CYBMUJFWSA-N -1 0 372.827 5.042 20 0 FKADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000554032896 568402959 /nfs/dbraw/zinc/40/29/59/568402959.db2.gz DWVSDWHIVLGKGR-ZDUSSCGKSA-N -1 0 372.827 5.042 20 0 FKADRM Cc1c(C(=O)Nc2cc(Cl)c([O-])cc2F)sc2cccc(F)c12 ZINC000554040951 568403087 /nfs/dbraw/zinc/40/30/87/568403087.db2.gz VNWDAOPJTLXVMY-UHFFFAOYSA-N -1 0 353.777 5.099 20 0 FKADRM O=c1nc([C@@H]2CCCC(F)(F)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000554522057 568407503 /nfs/dbraw/zinc/40/75/03/568407503.db2.gz CRVRSEFJPRORIU-LLVKDONJSA-N -1 0 364.392 5.084 20 0 FKADRM O=c1nc([C@H]2CCCC(F)(F)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000554522058 568407506 /nfs/dbraw/zinc/40/75/06/568407506.db2.gz CRVRSEFJPRORIU-NSHDSACASA-N -1 0 364.392 5.084 20 0 FKADRM C[C@@H](Nc1ccccc1NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000555526355 568412580 /nfs/dbraw/zinc/41/25/80/568412580.db2.gz BPZDXVSTFZZNJB-CYBMUJFWSA-N -1 0 368.383 5.096 20 0 FKADRM C[C@H](Nc1ccccc1NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000555526356 568412630 /nfs/dbraw/zinc/41/26/30/568412630.db2.gz BPZDXVSTFZZNJB-ZDUSSCGKSA-N -1 0 368.383 5.096 20 0 FKADRM O=C([O-])CCC/C(=C/c1ccc(Cl)s1)c1nc2ccccc2s1 ZINC000557704785 568459610 /nfs/dbraw/zinc/45/96/10/568459610.db2.gz IKIONNWBSZWZLB-KHPPLWFESA-N -1 0 363.891 5.807 20 0 FKADRM Cc1cccnc1S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000557828858 568461924 /nfs/dbraw/zinc/46/19/24/568461924.db2.gz SRHPBSHAKSOMSZ-LLVKDONJSA-N -1 0 369.471 5.214 20 0 FKADRM Cc1cccnc1S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000557828859 568461870 /nfs/dbraw/zinc/46/18/70/568461870.db2.gz SRHPBSHAKSOMSZ-NSHDSACASA-N -1 0 369.471 5.214 20 0 FKADRM Cc1cccnc1SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000557830120 568461897 /nfs/dbraw/zinc/46/18/97/568461897.db2.gz LRVWSEPHXXUBSM-UHFFFAOYSA-N -1 0 365.483 5.060 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(-c2ccccc2Cl)o1 ZINC000557934497 568464118 /nfs/dbraw/zinc/46/41/18/568464118.db2.gz BXJBBOSANKQNKY-UHFFFAOYSA-N -1 0 366.175 5.350 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000557943284 568464410 /nfs/dbraw/zinc/46/44/10/568464410.db2.gz FDIQACJGLGSWDZ-UHFFFAOYSA-N -1 0 373.598 5.225 20 0 FKADRM O=C(CSc1ccc2ccccc2c1)Nc1cc(Cl)c([O-])cc1F ZINC000557945680 568464301 /nfs/dbraw/zinc/46/43/01/568464301.db2.gz HFQHUHSUALEELC-UHFFFAOYSA-N -1 0 361.825 5.069 20 0 FKADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000557947080 568464364 /nfs/dbraw/zinc/46/43/64/568464364.db2.gz LSADAMXTTVIEDW-UHFFFAOYSA-N -1 0 353.777 5.099 20 0 FKADRM CC(C)Cn1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c2ccccc21 ZINC000557948182 568464525 /nfs/dbraw/zinc/46/45/25/568464525.db2.gz RDPMJCHAFBESJB-UHFFFAOYSA-N -1 0 360.816 5.048 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000557948824 568464491 /nfs/dbraw/zinc/46/44/91/568464491.db2.gz IUSOYWNLJJUUBO-GHMZBOCLSA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000557948826 568464481 /nfs/dbraw/zinc/46/44/81/568464481.db2.gz IUSOYWNLJJUUBO-MNOVXSKESA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000557948827 568464478 /nfs/dbraw/zinc/46/44/78/568464478.db2.gz IUSOYWNLJJUUBO-QWRGUYRKSA-N -1 0 374.626 5.234 20 0 FKADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000557948829 568464448 /nfs/dbraw/zinc/46/44/48/568464448.db2.gz IUSOYWNLJJUUBO-WDEREUQCSA-N -1 0 374.626 5.234 20 0 FKADRM Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)s2)o1 ZINC000557951458 568464519 /nfs/dbraw/zinc/46/45/19/568464519.db2.gz SWQUBGZYPTWYCI-UHFFFAOYSA-N -1 0 351.786 5.067 20 0 FKADRM COc1ccc2cc([C@H](C)C(=O)Nc3cc(Cl)c([O-])cc3F)ccc2c1 ZINC000557951632 568464529 /nfs/dbraw/zinc/46/45/29/568464529.db2.gz MDWFAYJSIOUWIG-NSHDSACASA-N -1 0 373.811 5.089 20 0 FKADRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(C)n1C1CCCCC1 ZINC000557957369 568464964 /nfs/dbraw/zinc/46/49/64/568464964.db2.gz JEAHKKGFQMHPKG-UHFFFAOYSA-N -1 0 364.848 5.361 20 0 FKADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Sc1ccccc1 ZINC000558001483 568466136 /nfs/dbraw/zinc/46/61/36/568466136.db2.gz FGTGVHMTRHECPR-UHFFFAOYSA-N -1 0 363.438 5.097 20 0 FKADRM O=C([O-])c1csc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000559382421 568491084 /nfs/dbraw/zinc/49/10/84/568491084.db2.gz IZYAXBBFCWYXFW-UHFFFAOYSA-N -1 0 372.254 5.220 20 0 FKADRM Cc1cc(OC(F)F)c(C(=O)Nc2c(F)cc(Cl)c(C)c2F)s1 ZINC000560172900 568524237 /nfs/dbraw/zinc/52/42/37/568524237.db2.gz HVJQBWHMHDEJQM-UHFFFAOYSA-N -1 0 367.751 5.150 20 0 FKADRM Cc1oc(C(C)C)nc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000560620849 568566968 /nfs/dbraw/zinc/56/69/68/568566968.db2.gz KTXLRWZWIBSUPL-UHFFFAOYSA-N -1 0 363.628 5.025 20 0 FKADRM Cc1c(Cl)cc(NC(=O)c2cc(O)ccc2C(F)(F)F)cc1Cl ZINC000647743208 568307578 /nfs/dbraw/zinc/30/75/78/568307578.db2.gz FQAPZCYJYFBFMP-UHFFFAOYSA-N -1 0 364.150 5.279 20 0 FKADRM