smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)[O-])c2cc(O)ccc2n1C(C)C ZINC000033419825 349488071 /nfs/dbraw/zinc/48/80/71/349488071.db2.gz GRENPYSOTFXXSA-UHFFFAOYSA-N -1 0 233.267 2.934 40 0 BFABRM [S-]c1ccccc1COC[C@H]1CCCO1 ZINC000095738795 187326176 /nfs/dbraw/zinc/32/61/76/187326176.db2.gz RLVDLPOZQVXEGG-LLVKDONJSA-N -1 0 224.325 2.671 40 0 BFABRM O=C([O-])c1nc2c(cccc2F)n1CC1CCC1 ZINC000255187761 187330651 /nfs/dbraw/zinc/33/06/51/187330651.db2.gz GOTFWGBNJSUMJE-UHFFFAOYSA-N -1 0 248.257 2.674 40 0 BFABRM Cc1cc2ccc(C(=O)[O-])nc2cc1C ZINC000026474896 178295711 /nfs/dbraw/zinc/29/57/11/178295711.db2.gz ZMFLGLCNNRXFBE-UHFFFAOYSA-N -1 0 201.225 2.550 40 0 BFABRM Cc1ccc(-c2cc(C(=O)[O-])c[nH]2)cc1 ZINC000238555171 178319271 /nfs/dbraw/zinc/31/92/71/178319271.db2.gz PFTWFFGQRQONFL-UHFFFAOYSA-N -1 0 201.225 2.688 40 0 BFABRM O=C([O-])c1cc(=S)c2ccc(Cl)cc2[nH]1 ZINC000000005928 342669713 /nfs/dbraw/zinc/66/97/13/342669713.db2.gz KSCOHHUVHWAXLK-UHFFFAOYSA-N -1 0 239.683 2.875 40 0 BFABRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1cccs1 ZINC000001081362 342697209 /nfs/dbraw/zinc/69/72/09/342697209.db2.gz OHEBPHKWGCMUNK-DTWKUNHWSA-N -1 0 238.308 2.822 40 0 BFABRM CC[C@@H](C)[C@@H](O)[C@H](C(=O)[O-])C1CCCCC1 ZINC000004683095 342750357 /nfs/dbraw/zinc/75/03/57/342750357.db2.gz RAYWBDQWWXCHQV-YUSALJHKSA-N -1 0 228.332 2.675 40 0 BFABRM O=S(=O)([O-])c1ccc2c(Cl)cccc2c1 ZINC000002525874 342722451 /nfs/dbraw/zinc/72/24/51/342722451.db2.gz HLTFWAMWYXUXEO-UHFFFAOYSA-N -1 0 242.683 2.740 40 0 in-vitro BFABRM O=C([O-])c1cccnc1CCc1ccccc1 ZINC000002539948 342723512 /nfs/dbraw/zinc/72/35/12/342723512.db2.gz FIBVUGPJCPOSJB-UHFFFAOYSA-N -1 0 227.263 2.565 40 0 BFABRM CSc1nc2ccc(C)cc2cc1C(=O)[O-] ZINC000003625244 342735254 /nfs/dbraw/zinc/73/52/54/342735254.db2.gz XSBBIQUAQQAXNB-UHFFFAOYSA-N -1 0 233.292 2.963 40 0 BFABRM CCc1ccc(-c2cnc(C(=O)[O-])o2)s1 ZINC000072219852 259318973 /nfs/dbraw/zinc/31/89/73/259318973.db2.gz SMHSWMXUDNIZRP-UHFFFAOYSA-N -1 0 223.253 2.664 40 0 BFABRM O=C([O-])CCCOc1ccc2ccoc2c1 ZINC000072219769 259319130 /nfs/dbraw/zinc/31/91/30/259319130.db2.gz CNABCLPBGNSKOE-UHFFFAOYSA-N -1 0 220.224 2.676 40 0 BFABRM Cn1c(C(=O)[O-])cc2oc3ccccc3c21 ZINC000005135128 342758607 /nfs/dbraw/zinc/75/86/07/342758607.db2.gz UUSXEARRGXHGON-UHFFFAOYSA-N -1 0 215.208 2.623 40 0 BFABRM O=C([O-])C1(Cc2ccc(F)cc2)CCC1 ZINC000083570095 398284087 /nfs/dbraw/zinc/28/40/87/398284087.db2.gz XRBNEEQKZXIPJN-UHFFFAOYSA-N -1 0 208.232 2.623 40 0 BFABRM C[C@@H](C(=O)[O-])c1ccc2cc(O)ccc2c1 ZINC000006037131 342772613 /nfs/dbraw/zinc/77/26/13/342772613.db2.gz XWJUDDGELKXYNO-MRVPVSSYSA-N -1 0 216.236 2.734 40 0 endogenous,world BFABRM O=C([O-])C1(c2cc(-c3cccs3)on2)CCC1 ZINC000072220597 259319562 /nfs/dbraw/zinc/31/95/62/259319562.db2.gz ALVHDMATXKOSPD-UHFFFAOYSA-N -1 0 249.291 2.909 40 0 BFABRM Cc1nc(NCc2ccccc2)ccc1C(=O)[O-] ZINC000072224405 259322024 /nfs/dbraw/zinc/32/20/24/259322024.db2.gz FSAWLKYJVMPDIN-UHFFFAOYSA-N -1 0 242.278 2.700 40 0 BFABRM O=C([O-])c1cccc2c(C(F)(F)F)ccnc12 ZINC000016159954 342907622 /nfs/dbraw/zinc/90/76/22/342907622.db2.gz LJLOIOVSOLZOAZ-UHFFFAOYSA-N -1 0 241.168 2.952 40 0 BFABRM CC1(C)C[C@@]1(C(=O)[O-])c1ccccc1F ZINC000019088846 342941320 /nfs/dbraw/zinc/94/13/20/342941320.db2.gz AISGDNPYRXZDBS-LBPRGKRZSA-N -1 0 208.232 2.578 40 0 BFABRM O=C([O-])c1cccc2cc(F)c(F)cc21 ZINC000034535164 349687790 /nfs/dbraw/zinc/68/77/90/349687790.db2.gz NVPLEEUOFXVSAY-UHFFFAOYSA-N -1 0 208.163 2.816 40 0 BFABRM CC(C)(C)c1cccc(/C=C/C(=O)[O-])c1O ZINC000044201243 187231968 /nfs/dbraw/zinc/23/19/68/187231968.db2.gz DPYMUMUEIWWXCZ-BQYQJAHWSA-N -1 0 220.268 2.788 40 0 BFABRM Cc1ccc(C(=O)Nc2ccccc2O)o1 ZINC000069515817 343283579 /nfs/dbraw/zinc/28/35/79/343283579.db2.gz KUTZTKKWNRBUOT-UHFFFAOYSA-N -1 0 217.224 2.546 40 0 BFABRM CSc1ccc(CC(=O)[O-])cc1Cl ZINC000037594129 343348589 /nfs/dbraw/zinc/34/85/89/343348589.db2.gz RUUPIFBYMDGMPN-UHFFFAOYSA-N -1 0 216.689 2.689 40 0 BFABRM CCCCc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000071976513 187276228 /nfs/dbraw/zinc/27/62/28/187276228.db2.gz LFCWVTIKWVLDGK-UHFFFAOYSA-N -1 0 216.284 2.970 40 0 BFABRM C[C@H]1CC[C@H]1COc1cccc(C(=O)[O-])c1 ZINC000096526474 187288480 /nfs/dbraw/zinc/28/84/80/187288480.db2.gz OEURKRGZXDFXHF-ONGXEEELSA-N -1 0 220.268 2.810 40 0 BFABRM C[C@H](CC(=O)[O-])CC(=O)c1cc(F)cc(F)c1 ZINC000015441763 344204253 /nfs/dbraw/zinc/20/42/53/344204253.db2.gz CLNJUIWHVAHCGO-ZETCQYMHSA-N -1 0 242.221 2.648 40 0 BFABRM C[C@@H](CC(=O)[O-])CC(=O)c1cc(F)cc(F)c1 ZINC000015441762 344204307 /nfs/dbraw/zinc/20/43/07/344204307.db2.gz CLNJUIWHVAHCGO-SSDOTTSWSA-N -1 0 242.221 2.648 40 0 BFABRM CC[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000008702735 344243482 /nfs/dbraw/zinc/24/34/82/344243482.db2.gz OUEWKQVGKGTLLQ-SECBINFHSA-N -1 0 247.216 2.981 40 0 BFABRM CC[C@H](Nc1ccccc1SC)C(=O)[O-] ZINC000008702755 344243574 /nfs/dbraw/zinc/24/35/74/344243574.db2.gz HIIANAHOZZGKHI-QMMMGPOBSA-N -1 0 225.313 2.684 40 0 BFABRM Cc1cccc(-c2ncc(/C=C/C(=O)[O-])cn2)c1 ZINC000008730982 344244078 /nfs/dbraw/zinc/24/40/78/344244078.db2.gz BDERJIJASNEZAO-AATRIKPKSA-N -1 0 240.262 2.550 40 0 BFABRM CC(=O)Oc1c(C)c(C)c(Cl)cc1C(=O)[O-] ZINC000057339601 192088434 /nfs/dbraw/zinc/08/84/34/192088434.db2.gz RMRZYCGXRUKHOZ-UHFFFAOYSA-N -1 0 242.658 2.580 40 0 BFABRM C[C@@]12C=C(Br)[C@@H]1CC[C@@]2(C)C(=O)[O-] ZINC000001314435 346201273 /nfs/dbraw/zinc/20/12/73/346201273.db2.gz XVYWNXXKUFDIRD-JMOVZRAMSA-N -1 0 245.116 2.786 40 0 BFABRM Cc1cccc(-n2cccc2C(=O)[O-])c1C ZINC000035431451 179001192 /nfs/dbraw/zinc/00/11/92/179001192.db2.gz ZOVXMVHFUTXRJO-UHFFFAOYSA-N -1 0 215.252 2.792 40 0 BFABRM Cc1cccc(C(=O)[O-])c1OCC(C)C ZINC000037729608 179025852 /nfs/dbraw/zinc/02/58/52/179025852.db2.gz JZXOMPONKWBDSH-UHFFFAOYSA-N -1 0 208.257 2.728 40 0 BFABRM O=C([O-])[C@H]1CCC=C[C@H]1c1ccccc1 ZINC000001702420 346469998 /nfs/dbraw/zinc/46/99/98/346469998.db2.gz BGIMRFYLXRKZRA-RYUDHWBXSA-N -1 0 202.253 2.821 40 0 BFABRM Cc1ccc(CS[C@@H](C)C(=O)[O-])cc1 ZINC000006426710 346649625 /nfs/dbraw/zinc/64/96/25/346649625.db2.gz HGAGZOQIDUIMPU-VIFPVBQESA-N -1 0 210.298 2.701 40 0 BFABRM CC[C@H](Nc1cc(C)cc(C)c1)C(=O)[O-] ZINC000008702766 346680882 /nfs/dbraw/zinc/68/08/82/346680882.db2.gz PNYCXOLDCZZOLO-NSHDSACASA-N -1 0 207.273 2.579 40 0 BFABRM Cc1ccc(C)c(NCC(C)(C)C(=O)[O-])c1 ZINC000008702843 346681376 /nfs/dbraw/zinc/68/13/76/346681376.db2.gz BHGVLQFPVAPCLB-UHFFFAOYSA-N -1 0 221.300 2.826 40 0 BFABRM CCC[C@H](Nc1cc(C)ccc1C)C(=O)[O-] ZINC000008702814 346681407 /nfs/dbraw/zinc/68/14/07/346681407.db2.gz KYEUMJSHIGPAHL-NSHDSACASA-N -1 0 221.300 2.969 40 0 BFABRM Cc1cccc(NCC(C)(C)C(=O)[O-])c1 ZINC000008702830 346681556 /nfs/dbraw/zinc/68/15/56/346681556.db2.gz FXJNBHFFOONSPB-UHFFFAOYSA-N -1 0 207.273 2.518 40 0 BFABRM Cc1ccc(Cl)cc1N[C@H](C)C(=O)[O-] ZINC000008730591 346684394 /nfs/dbraw/zinc/68/43/94/346684394.db2.gz PDUZQVKUIZORFI-SSDOTTSWSA-N -1 0 213.664 2.533 40 0 BFABRM CCCOCCCOc1ccccc1C(=O)[O-] ZINC000008731440 346684448 /nfs/dbraw/zinc/68/44/48/346684448.db2.gz UFMAYAKLQFHNBT-UHFFFAOYSA-N -1 0 238.283 2.580 40 0 BFABRM Cc1ccccc1-c1ncccc1C(=O)[O-] ZINC000041226816 179239550 /nfs/dbraw/zinc/23/95/50/179239550.db2.gz QJMCCUBNJZXTNN-UHFFFAOYSA-N -1 0 213.236 2.755 40 0 BFABRM Cc1nc(N(C)c2ccccc2)sc1C(=O)[O-] ZINC000022237593 179998168 /nfs/dbraw/zinc/99/81/68/179998168.db2.gz NNABMBIKTZTRKG-UHFFFAOYSA-N -1 0 248.307 2.918 40 0 BFABRM CCCCO[C@@H](Cc1ccccc1F)C(=O)[O-] ZINC000225052931 350349564 /nfs/dbraw/zinc/34/95/64/350349564.db2.gz QIQAUMQCTYHSOQ-LBPRGKRZSA-N -1 0 240.274 2.638 40 0 BFABRM O=C([O-])c1ccc(-c2ccc(F)cc2)[nH]1 ZINC000041213291 350576009 /nfs/dbraw/zinc/57/60/09/350576009.db2.gz JVCQVJRWQGLYJY-UHFFFAOYSA-N -1 0 205.188 2.519 40 0 BFABRM CC(C)(C)OC1(C(=O)[O-])CCCCC1 ZINC000041955007 187908880 /nfs/dbraw/zinc/90/88/80/187908880.db2.gz BQUZJOLHQSXMOP-UHFFFAOYSA-N -1 0 200.278 2.589 40 0 BFABRM CC(C)(Oc1cccc2c1CCCC2)C(=O)[O-] ZINC000013609406 187996474 /nfs/dbraw/zinc/99/64/74/187996474.db2.gz CENZGMLCZCBZOE-UHFFFAOYSA-N -1 0 234.295 2.807 40 0 BFABRM [S-]c1ccc(COC[C@H]2CCCO2)cc1 ZINC000095738787 188016090 /nfs/dbraw/zinc/01/60/90/188016090.db2.gz ZTMAHJKEJBGFJR-LLVKDONJSA-N -1 0 224.325 2.671 40 0 BFABRM [O-]c1c(F)ccc(Cl)c1Br ZINC000075882635 188308696 /nfs/dbraw/zinc/30/86/96/188308696.db2.gz IIUGMPIVXXGABN-UHFFFAOYSA-N -1 0 225.444 2.947 40 0 BFABRM O=C([O-])c1nc(-c2ccccc2)c2ccccn21 ZINC000211914895 356120071 /nfs/dbraw/zinc/12/00/71/356120071.db2.gz UEYXKBPMEYAPSW-UHFFFAOYSA-N -1 0 238.246 2.700 40 0 BFABRM COc1nc2cccc(Cl)c2cc1C(=O)[O-] ZINC000685936860 538759582 /nfs/dbraw/zinc/75/95/82/538759582.db2.gz CRDVPZXPKHVPEF-UHFFFAOYSA-N -1 0 237.642 2.595 40 0 BFABRM O=c1[nH]c2ccc(F)cc2c([O-])c1CC1CC1 ZINC000685936995 538758775 /nfs/dbraw/zinc/75/87/75/538758775.db2.gz HIBAGAYDEGNMNF-UHFFFAOYSA-N -1 0 233.242 2.738 40 0 BFABRM C[C@@H](CC(=O)[O-])CC(=O)c1ccc(F)cc1 ZINC000004264478 360464120 /nfs/dbraw/zinc/46/41/20/360464120.db2.gz ZWBGHTFNUNUFKM-MRVPVSSYSA-N -1 0 224.231 2.509 40 0 BFABRM O=C([O-])c1cc(Sc2ccccc2)on1 ZINC000072221243 259530252 /nfs/dbraw/zinc/53/02/52/259530252.db2.gz WZFHVYDNVDBKNN-UHFFFAOYSA-N -1 0 221.237 2.524 40 0 BFABRM CCCC[C@@H](Oc1ccccc1C=O)C(=O)[O-] ZINC000142306981 368348210 /nfs/dbraw/zinc/34/82/10/368348210.db2.gz BNHZJSWSEINXDJ-GFCCVEGCSA-N -1 0 236.267 2.521 40 0 BFABRM CC(C)(c1cc(C(=O)[O-])ccn1)C(F)(F)F ZINC000256053956 370638399 /nfs/dbraw/zinc/63/83/99/370638399.db2.gz UILFIWHCIGNIBQ-UHFFFAOYSA-N -1 0 233.189 2.620 40 0 BFABRM O=C([O-])[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1ccccc1 ZINC000252487415 259547327 /nfs/dbraw/zinc/54/73/27/259547327.db2.gz XFIGCNCLVXGNDI-NNYUYHANSA-N -1 0 202.253 2.511 40 0 BFABRM O=C([O-])[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000003199460 371909153 /nfs/dbraw/zinc/90/91/53/371909153.db2.gz GFOVJSGKTMFCRY-SECBINFHSA-N -1 0 243.184 2.898 40 0 BFABRM O=C(C=C([O-])c1ccccc1)c1ccncc1 ZINC000003953987 181879838 /nfs/dbraw/zinc/87/98/38/181879838.db2.gz ALJURYJXCXVZFN-UHFFFAOYSA-N -1 0 225.247 2.537 40 0 in-vitro BFABRM O=C([O-])CSc1ccnc2ccc(F)cc21 ZINC000016158428 182473916 /nfs/dbraw/zinc/47/39/16/182473916.db2.gz CGKOSIAETLFECS-UHFFFAOYSA-N -1 0 237.255 2.551 40 0 BFABRM CCCCO[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000225019276 168914570 /nfs/dbraw/zinc/91/45/70/168914570.db2.gz YUAGTHYTHYDAIZ-CYBMUJFWSA-N -1 0 236.311 2.807 40 0 BFABRM CCCCc1nc2c(O)ccc(O)c2nc1C ZINC000104115707 169028264 /nfs/dbraw/zinc/02/82/64/169028264.db2.gz UIVLZJJCTQVOJL-UHFFFAOYSA-N -1 0 232.283 2.692 40 0 BFABRM CCCC[P@](=O)(CC(=O)[O-])c1ccccc1 ZINC000001733210 169016825 /nfs/dbraw/zinc/01/68/25/169016825.db2.gz CGCYVTZFMYCPTI-INIZCTEOSA-N -1 0 240.239 2.560 40 0 BFABRM CCCN(CC(=O)[O-])c1cc(Cl)ccc1C ZINC000076624182 169098828 /nfs/dbraw/zinc/09/88/28/169098828.db2.gz OIYWJGJSPSGHEM-UHFFFAOYSA-N -1 0 241.718 2.949 40 0 BFABRM [O-]c1cc(Br)c(F)c(F)c1F ZINC000079019708 183256328 /nfs/dbraw/zinc/25/63/28/183256328.db2.gz KSUNOCRIVMNERL-UHFFFAOYSA-N -1 0 226.979 2.572 40 0 BFABRM O=c1cc(-c2ccccc2Br)[n-]o1 ZINC000071976567 183256405 /nfs/dbraw/zinc/25/64/05/183256405.db2.gz GPWRZVYQTJPUOQ-UHFFFAOYSA-N -1 0 240.056 2.810 40 0 BFABRM [O-]c1cnn(-c2ccc(Cl)c(Cl)c2)c1 ZINC000039334328 183305568 /nfs/dbraw/zinc/30/55/68/183305568.db2.gz NFZXIIBYJXWXCF-UHFFFAOYSA-N -1 0 229.066 2.885 40 0 BFABRM CCCN(c1cccc(C)c1)[C@@H](C)C(=O)[O-] ZINC000224981115 169182539 /nfs/dbraw/zinc/18/25/39/169182539.db2.gz PEQGFMLPJWJUFV-NSHDSACASA-N -1 0 221.300 2.685 40 0 BFABRM S=C([N-]C1CC1)SCc1ccco1 ZINC000002806325 183311482 /nfs/dbraw/zinc/31/14/82/183311482.db2.gz QFCZWADENLJOQV-UHFFFAOYSA-N -1 0 213.327 2.550 40 0 BFABRM CCCO[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000225062138 169310964 /nfs/dbraw/zinc/31/09/64/169310964.db2.gz SQHANAJYTOFTLB-NSHDSACASA-N -1 0 242.702 2.762 40 0 BFABRM CCCO[C@H](Cc1ccccc1CC)C(=O)[O-] ZINC000225041656 169311891 /nfs/dbraw/zinc/31/18/91/169311891.db2.gz 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CCOc1cccc2cccc(C(=O)[O-])c21 ZINC000071256680 384156181 /nfs/dbraw/zinc/15/61/81/384156181.db2.gz DXJSXIVXVHLZJA-UHFFFAOYSA-N -1 0 216.236 2.937 40 0 BFABRM O=C([O-])c1cscc1-c1cccnc1 ZINC000082379733 384216544 /nfs/dbraw/zinc/21/65/44/384216544.db2.gz VXXXDHZLAJYPHO-UHFFFAOYSA-N -1 0 205.238 2.508 40 0 BFABRM O=C([O-])/C=C\c1ccc(Oc2ccccc2)nc1 ZINC000012369109 384313961 /nfs/dbraw/zinc/31/39/61/384313961.db2.gz TWPKEZACBDVQNY-CLFYSBASSA-N -1 0 241.246 2.972 40 0 BFABRM O=Cc1ccc(-c2ccccc2)c(C(=O)[O-])c1 ZINC000044563547 384345213 /nfs/dbraw/zinc/34/52/13/384345213.db2.gz KYBAIAMHVJZZPQ-UHFFFAOYSA-N -1 0 226.231 2.864 40 0 BFABRM CCc1ccccc1-n1cccc1C(=O)[O-] ZINC000035431415 384410025 /nfs/dbraw/zinc/41/00/25/384410025.db2.gz HQYDTAYUUFUJCB-UHFFFAOYSA-N -1 0 215.252 2.738 40 0 BFABRM CCOc1cccc([S-])c1NCl ZINC000095950047 384419337 /nfs/dbraw/zinc/41/93/37/384419337.db2.gz JOIVCIHHQWHFGA-UHFFFAOYSA-N -1 0 203.694 2.940 40 0 BFABRM C[C@H]1c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000001753213 384450511 /nfs/dbraw/zinc/45/05/11/384450511.db2.gz PURWTPKEGVGRRB-VXNVDRBHSA-N -1 0 215.252 2.528 40 0 BFABRM O=C([O-])/C=C\c1cccc(Cl)c1F ZINC000033373882 384502038 /nfs/dbraw/zinc/50/20/38/384502038.db2.gz OJNDJHBNODEMSG-PLNGDYQASA-N -1 0 200.596 2.577 40 0 BFABRM O=C([O-])n1ccc2nc3ccccc3c-2c1 ZINC000100021192 384609260 /nfs/dbraw/zinc/60/92/60/384609260.db2.gz VOSSIGOPQKPUIJ-UHFFFAOYSA-N -1 0 212.208 2.667 40 0 BFABRM CCCCOCc1cc(C(=O)[O-])ccc1OC ZINC000050131815 384597185 /nfs/dbraw/zinc/59/71/85/384597185.db2.gz QELVOQQQXBJCJB-UHFFFAOYSA-N -1 0 238.283 2.710 40 0 BFABRM O=C([O-])[C@H]1C[C@@H]1c1ccc(OCC(F)F)cc1 ZINC000408716799 384704539 /nfs/dbraw/zinc/70/45/39/384704539.db2.gz QZCCJFWZQBDFBW-ZJUUUORDSA-N -1 0 242.221 2.519 40 0 BFABRM COc1c(C)c(C)c(Cl)cc1C(=O)[O-] ZINC000057339793 384747756 /nfs/dbraw/zinc/74/77/56/384747756.db2.gz IGVNQKKZWAFWFG-UHFFFAOYSA-N -1 0 214.648 2.664 40 0 BFABRM O=C([O-])/C=C\c1csc(Br)c1 ZINC000083327939 384759918 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541441477 /nfs/dbraw/zinc/44/14/77/541441477.db2.gz RYZLHXKNCMXYKX-UHFFFAOYSA-N -1 0 244.275 2.990 40 0 BFABRM CC(=O)c1cc(Cl)c([O-])c(Cl)c1O ZINC000083164995 541450065 /nfs/dbraw/zinc/45/00/65/541450065.db2.gz UWNCILLRLCVHSW-UHFFFAOYSA-N -1 0 221.039 2.607 40 0 BFABRM Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000036225642 181679549 /nfs/dbraw/zinc/67/95/49/181679549.db2.gz ROWAEHIRRCOHBZ-UHFFFAOYSA-N -1 0 243.262 2.546 40 0 BFABRM C[C@@H](O)CCCn1cc(C(=O)[O-])c2ccccc21 ZINC000095726654 371337093 /nfs/dbraw/zinc/33/70/93/371337093.db2.gz JKTRSAHBYMWKAA-SNVBAGLBSA-N -1 0 247.294 2.501 40 0 in-vitro BFABRM Nc1ccc(OCc2ccccc2)c(C(=O)[O-])c1 ZINC000037289712 181722980 /nfs/dbraw/zinc/72/29/80/181722980.db2.gz QVOMQIJEQJHLBU-UHFFFAOYSA-N -1 0 243.262 2.546 40 0 BFABRM Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000002538956 181820565 /nfs/dbraw/zinc/82/05/65/181820565.db2.gz YMQZWOBNPVVPPJ-UHFFFAOYSA-N -1 0 219.265 2.696 40 0 BFABRM O=C([O-])/C=C/c1ccnc2c(Cl)cccc12 ZINC000019721600 182413357 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