smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(C)on1 ZINC000003908631 204115415 /nfs/dbraw/zinc/11/54/15/204115415.db2.gz NAASTMVFDNAVHZ-UHFFFAOYSA-N -1 3 356.403 4.141 40 0 FIABHM CC(C)c1ccc(C(=O)C[C@H](NCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000005285193 204200961 /nfs/dbraw/zinc/20/09/61/204200961.db2.gz JCWSLLQGCKECQX-SFHVURJKSA-N -1 3 359.853 4.279 40 0 FIABHM CC(C)c1ccc(C(=O)C[C@@H](NCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000005285195 204201021 /nfs/dbraw/zinc/20/10/21/204201021.db2.gz JCWSLLQGCKECQX-GOSISDBHSA-N -1 3 359.853 4.279 40 0 FIABHM CCOP(=O)(Cc1csc(=NC(=O)OC(C)(C)C)[n-]1)OCC ZINC000115308064 205283030 /nfs/dbraw/zinc/28/30/30/205283030.db2.gz KMMKHTREJPFRMW-UHFFFAOYSA-N -1 3 350.377 4.256 40 0 FIABHM O=C([N-]Cc1ccc(-c2nc3ccccc3o2)cc1)C(Cl)(Cl)Cl ZINC000013946175 206307636 /nfs/dbraw/zinc/30/76/36/206307636.db2.gz SLLKGSQTXWSTNG-UHFFFAOYSA-N -1 3 369.635 4.481 40 0 FIABHM COCc1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000224481844 206460966 /nfs/dbraw/zinc/46/09/66/206460966.db2.gz BNXMOIQINRJFDF-UHFFFAOYSA-N -1 3 369.442 4.426 40 0 FIABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000061035479 136132540 /nfs/dbraw/zinc/13/25/40/136132540.db2.gz XHADZOUZKDCJOD-UHFFFAOYSA-N -1 3 358.507 4.341 40 0 FIABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223662907 568693510 /nfs/dbraw/zinc/69/35/10/568693510.db2.gz QVANQERMGNASDW-UHFFFAOYSA-N -1 3 359.491 4.462 40 0 FIABHM Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1[N-]S(C)(=O)=O ZINC000010336429 570700346 /nfs/dbraw/zinc/70/03/46/570700346.db2.gz CWTYFMFMODWNPN-UHFFFAOYSA-N -1 3 360.479 4.051 40 0 FIABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1)N2 ZINC000409102648 570724697 /nfs/dbraw/zinc/72/46/97/570724697.db2.gz BOKGCAVEEZWSTN-LBTNJELSSA-N -1 3 368.399 4.212 40 0 FIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(C)(C)C ZINC000016780592 570862368 /nfs/dbraw/zinc/86/23/68/570862368.db2.gz FERODRMYJOJXBR-UHFFFAOYSA-N -1 3 353.871 4.447 40 0 FIABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(C)C ZINC000223949843 570972647 /nfs/dbraw/zinc/97/26/47/570972647.db2.gz MXXYOAOQVPWKET-UHFFFAOYSA-N -1 3 355.406 4.206 40 0 FIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000244474195 571282815 /nfs/dbraw/zinc/28/28/15/571282815.db2.gz ZIGCFOKLPQBKPK-UHFFFAOYSA-N -1 3 366.653 4.456 40 0 FIABHM CC[C@H](C)c1ccccc1NC([S-])=NC(=O)C(Cl)(Cl)Cl ZINC000006243344 571295567 /nfs/dbraw/zinc/29/55/67/571295567.db2.gz ZFHHVROWPMDMPK-QMMMGPOBSA-N -1 3 353.702 4.383 40 0 FIABHM CC[C@H](C)c1ccccc1NC(=S)[N-]C(=O)C(Cl)(Cl)Cl ZINC000006243344 571295568 /nfs/dbraw/zinc/29/55/68/571295568.db2.gz ZFHHVROWPMDMPK-QMMMGPOBSA-N -1 3 353.702 4.383 40 0 FIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(C)C ZINC000008496069 571301891 /nfs/dbraw/zinc/30/18/91/571301891.db2.gz BFYLBVKBURHZEP-UHFFFAOYSA-N -1 3 357.834 4.412 40 0 FIABHM O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cc(Br)ccc1[O-] ZINC000008642182 204337171 /nfs/dbraw/zinc/33/71/71/204337171.db2.gz BIIVGWIQWGZLQS-KXUQTAPDSA-N -1 3 370.202 4.164 40 0 FIABHM COc1ccc(-c2nc(C)[n-]c(=O)c2Cc2c(O)ccc3ccccc32)cc1 ZINC000008648898 204337275 /nfs/dbraw/zinc/33/72/75/204337275.db2.gz BZFCSMDHNNOZNK-UHFFFAOYSA-N -1 3 372.424 4.204 40 0 FIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3ccccc3c2)c(Cl)c1 ZINC000216303811 206357384 /nfs/dbraw/zinc/35/73/84/206357384.db2.gz DWYBBKWCDCXGFU-UHFFFAOYSA-N -1 3 374.849 4.117 40 0 FIABHM O=C(NC(=S)Nc1ccccc1[O-])c1cccc2c(Cl)cccc12 ZINC000021596289 206360945 /nfs/dbraw/zinc/36/09/45/206360945.db2.gz CZFGEBUZNOPWRC-UHFFFAOYSA-N -1 3 356.834 4.326 40 0 FIABHM CCc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1OC ZINC000223678940 568698558 /nfs/dbraw/zinc/69/85/58/568698558.db2.gz LJAPFTKHXAIUGL-UHFFFAOYSA-N -1 3 359.369 4.077 40 0 FIABHM O=C1[N-]C(=Cc2ccc(N3CCCCC3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409065907 570718363 /nfs/dbraw/zinc/71/83/63/570718363.db2.gz VERIJOZXGJRCGM-FOWTUZBSSA-N -1 3 371.824 4.021 40 0 FIABHM CC(C)(C)OC(=O)N1NC2=C(C[C@@H](C(C)(C)C)CC2)[C@@]1([O-])C(F)(F)F ZINC000409098275 570723496 /nfs/dbraw/zinc/72/34/96/570723496.db2.gz KVLZVMXVRGYYFW-XMZIXOGTSA-N -1 3 364.408 4.306 40 0 FIABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C ZINC000032586231 570864523 /nfs/dbraw/zinc/86/45/23/570864523.db2.gz PVEPMMKJIAWTGT-UHFFFAOYSA-N -1 3 359.369 4.213 40 0 FIABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000224858366 571003228 /nfs/dbraw/zinc/00/32/28/571003228.db2.gz UTLFHBKNHQPADG-IRXDYDNUSA-N -1 3 371.849 4.211 40 0 FIABHM COc1ccc(-c2nnc([N-]C(=O)c3cc4ccccc4o3)s2)cc1 ZINC000039757851 571026311 /nfs/dbraw/zinc/02/63/11/571026311.db2.gz CTTPPSMSSJHMLI-UHFFFAOYSA-N -1 3 351.387 4.212 40 0 FIABHM C/C(=C\c1ccccc1)CN1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[n-]1 ZINC000072389810 571189229 /nfs/dbraw/zinc/18/92/29/571189229.db2.gz LIVPUYOADSSTIX-PVGBUVFQSA-N -1 3 372.472 4.485 40 0 FIABHM C[C@@]12CC[C@@H]3c4cc(Br)c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000003902443 204114324 /nfs/dbraw/zinc/11/43/24/204114324.db2.gz SORISAYAZBCIQH-VCMWWZGJSA-N -1 3 351.284 4.372 40 0 FIABHM Cc1cccc(OCC(=O)Nc2cc(C)c([O-])c(Br)c2)c1C ZINC000226243130 206119190 /nfs/dbraw/zinc/11/91/90/206119190.db2.gz XBEJRKLDIACKKO-UHFFFAOYSA-N -1 3 364.239 4.097 40 0 FIABHM CCOc1ccccc1-c1cc([N-]C(=O)c2noc3c2C[C@@H](C)CC3)on1 ZINC000020190278 521438774 /nfs/dbraw/zinc/43/87/74/521438774.db2.gz VDZCZXPFNLPXNX-LBPRGKRZSA-N -1 3 367.405 4.105 40 0 FIABHM C[C@]12CC[C@H]3c4cc(Br)c([O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000015022933 560228184 /nfs/dbraw/zinc/22/81/84/560228184.db2.gz SORISAYAZBCIQH-LRKKAQBJSA-N -1 3 351.284 4.372 40 0 biogenic,in-vitro FIABHM O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1[O-] ZINC000057316187 568273837 /nfs/dbraw/zinc/27/38/37/568273837.db2.gz IMORHIJVHWNDQJ-ACCUITESSA-N -1 3 364.426 4.179 40 0 FIABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCc1ccccc1 ZINC000408587335 570565914 /nfs/dbraw/zinc/56/59/14/570565914.db2.gz UAKNLWDFWGDOIF-CQSZACIVSA-N -1 3 367.898 4.038 40 0 FIABHM CC(C)C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000408624729 570591184 /nfs/dbraw/zinc/59/11/84/570591184.db2.gz VXGUNJLHHLTVES-UHFFFAOYSA-N -1 3 371.487 4.138 40 0 FIABHM Cc1cc(C(=O)N2NC(CC(C)C)=C[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000409180662 570736770 /nfs/dbraw/zinc/73/67/70/570736770.db2.gz YYAUGKWLIMDJMZ-OAHLLOKOSA-N -1 3 362.779 4.147 40 0 FIABHM O=C([N-]c1c(F)cc(F)cc1Br)c1noc2c1CCCCC2 ZINC000020428760 570915960 /nfs/dbraw/zinc/91/59/60/570915960.db2.gz LGDPKEVSTDJIST-UHFFFAOYSA-N -1 3 371.181 4.237 40 0 FIABHM Cc1nccc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1 ZINC000257309427 571160553 /nfs/dbraw/zinc/16/05/53/571160553.db2.gz UAWXOTMTJXGFSG-JOCHJYFZSA-N -1 3 373.456 4.487 40 0 FIABHM O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1ccccn1 ZINC000026841146 571184654 /nfs/dbraw/zinc/18/46/54/571184654.db2.gz OHGNGEWKUQBPLJ-OAQYLSRUSA-N -1 3 352.397 4.222 40 0 FIABHM O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1ccccn1 ZINC000026841146 571184657 /nfs/dbraw/zinc/18/46/57/571184657.db2.gz OHGNGEWKUQBPLJ-OAQYLSRUSA-N -1 3 352.397 4.222 40 0 FIABHM Cc1nnc([N-]c2cncc([C@@H]3CCCN3Cc3ccccc3C)n2)s1 ZINC000072376312 571185993 /nfs/dbraw/zinc/18/59/93/571185993.db2.gz XESWQWRKEXUGFG-KRWDZBQOSA-N -1 3 366.494 4.026 40 0 FIABHM c1csc([N-]c2nccc([C@H]3CCCN3CCc3ccccc3)n2)n1 ZINC000072377577 571186463 /nfs/dbraw/zinc/18/64/63/571186463.db2.gz HZJGSFMDOKWYKT-QGZVFWFLSA-N -1 3 351.479 4.056 40 0 FIABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc2N1 ZINC000078403946 571216163 /nfs/dbraw/zinc/21/61/63/571216163.db2.gz GNGPNWJLHMGXQV-SECBINFHSA-N -1 3 357.262 4.151 40 0 FIABHM O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cc(Br)ccc1[O-] ZINC000006514269 204252004 /nfs/dbraw/zinc/25/20/04/204252004.db2.gz BIIVGWIQWGZLQS-AOLDMILESA-N -1 3 370.202 4.164 40 0 FIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC000059133005 205280594 /nfs/dbraw/zinc/28/05/94/205280594.db2.gz GDWOFFBJBBSYDI-UHFFFAOYSA-N -1 3 372.490 4.315 40 0 FIABHM CC(C)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000113948610 206092337 /nfs/dbraw/zinc/09/23/37/206092337.db2.gz ZVSYTXLVMJYSCV-UHFFFAOYSA-N -1 3 366.870 4.087 40 0 FIABHM COc1c([C@H](O)CC(C)C)ccc2c1C(=O)OCc1cc(C)cc([O-])c1O2 ZINC000000606754 206128322 /nfs/dbraw/zinc/12/83/22/206128322.db2.gz UOWGLBYIKHMCIS-OAHLLOKOSA-N -1 3 372.417 4.251 40 0 biogenic,in-vitro FIABHM COc1c(F)c(F)c(C(=O)[N-]c2nc3ccccc3s2)c(F)c1F ZINC000009141215 263360386 /nfs/dbraw/zinc/36/03/86/263360386.db2.gz PHDPMANBVZNDFF-UHFFFAOYSA-N -1 3 356.300 4.114 40 0 FIABHM COc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1Cl)CCCC2 ZINC000222986561 568586327 /nfs/dbraw/zinc/58/63/27/568586327.db2.gz QXMPRKPWNNSHEQ-UHFFFAOYSA-N -1 3 351.855 4.028 40 0 FIABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1Cl ZINC000408585704 570565425 /nfs/dbraw/zinc/56/54/25/570565425.db2.gz INBWFPQOYNNHEZ-UHFFFAOYSA-N -1 3 353.871 4.465 40 0 FIABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1Cl ZINC000408585842 570565626 /nfs/dbraw/zinc/56/56/26/570565626.db2.gz JXKMBTOJKPQWLW-UHFFFAOYSA-N -1 3 353.871 4.410 40 0 FIABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000408587333 570565764 /nfs/dbraw/zinc/56/57/64/570565764.db2.gz UAKNLWDFWGDOIF-AWEZNQCLSA-N -1 3 367.898 4.038 40 0 FIABHM COc1c(F)c(F)c(C(=O)[N-]c2nc3ccc(C)cc3s2)c(F)c1F ZINC000408619515 570583442 /nfs/dbraw/zinc/58/34/42/570583442.db2.gz CMXABQUOEXCFMW-UHFFFAOYSA-N -1 3 370.327 4.422 40 0 FIABHM Cc1ccc(C(=O)N2NC3=C(C[C@@H](C(C)(C)C)CC3)[C@@]2([O-])C(F)(F)F)o1 ZINC000409101281 570724437 /nfs/dbraw/zinc/72/44/37/570724437.db2.gz XRSFKXZHHGJOAY-NVGCLXPQSA-N -1 3 372.387 4.113 40 0 FIABHM CCOc1cc(CNc2ccccc2)cc(I)c1[O-] ZINC000409121551 570728533 /nfs/dbraw/zinc/72/85/33/570728533.db2.gz WPQKRSSPFQQDFQ-UHFFFAOYSA-N -1 3 369.202 4.008 40 0 FIABHM Cc1ccc(C(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)cc1Cl ZINC000409173935 570735575 /nfs/dbraw/zinc/73/55/75/570735575.db2.gz PUGPHUAGGSBBGA-NSODJVPESA-N -1 3 374.790 4.147 40 0 FIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000409341722 570751341 /nfs/dbraw/zinc/75/13/41/570751341.db2.gz FQSNJWUVPUTEPM-UHFFFAOYSA-N -1 3 353.871 4.492 40 0 FIABHM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000013648416 570782181 /nfs/dbraw/zinc/78/21/81/570782181.db2.gz GSGMKYMQTPPIBC-UHFFFAOYSA-N -1 3 351.855 4.462 40 0 FIABHM Cc1cc(C)cc(C(=O)NC(=S)Nc2c([O-])ccc3ccccc32)c1 ZINC000017072728 570868951 /nfs/dbraw/zinc/86/89/51/570868951.db2.gz YJARVBMFGBAGCX-UHFFFAOYSA-N -1 3 350.443 4.289 40 0 FIABHM CN(C)CCN(Cc1cccs1)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000019582669 570895380 /nfs/dbraw/zinc/89/53/80/570895380.db2.gz BVIRENLABQAQEC-UHFFFAOYSA-N -1 3 359.322 4.324 40 0 FIABHM CC(C)c1csc([N-]C(=O)c2cc(COc3ccc(F)cc3)on2)n1 ZINC000019714653 570899317 /nfs/dbraw/zinc/89/93/17/570899317.db2.gz PCCXHTOBJSXMKQ-UHFFFAOYSA-N -1 3 361.398 4.225 40 0 FIABHM Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])s1 ZINC000224590757 570993615 /nfs/dbraw/zinc/99/36/15/570993615.db2.gz OEBULKSNCGWCEB-QZTJIDSGSA-N -1 3 367.499 4.334 40 0 FIABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 ZINC000224858435 571003145 /nfs/dbraw/zinc/00/31/45/571003145.db2.gz UTLFHBKNHQPADG-DLBZAZTESA-N -1 3 371.849 4.211 40 0 FIABHM Cc1nc(-c2cc(F)ccc2C(=O)[O-])cc([C@H]2CCCCN2C(C)C)n1 ZINC000257253032 571154554 /nfs/dbraw/zinc/15/45/54/571154554.db2.gz JXICXQLQHVRZCD-LJQANCHMSA-N -1 3 357.429 4.225 40 0 FIABHM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCN2 ZINC000078403665 571216220 /nfs/dbraw/zinc/21/62/20/571216220.db2.gz YATLUYUMYOPQAU-UHFFFAOYSA-N -1 3 366.442 4.248 40 0 FIABHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000010110770 571302737 /nfs/dbraw/zinc/30/27/37/571302737.db2.gz MXOAIBBMTWNWGU-UHFFFAOYSA-N -1 3 358.290 4.213 40 0 FIABHM C[C@]12CC[C@H]3c4ccc([O-])c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000003902442 204113768 /nfs/dbraw/zinc/11/37/68/204113768.db2.gz WSJCDIBESNMSPH-PHRGQOSZSA-N -1 3 351.284 4.372 40 0 biogenic,in-vitro FIABHM S=C(NN=c1[n-]ncc2ccccc21)Nc1ccc(Cl)cc1Cl ZINC000006942914 204283331 /nfs/dbraw/zinc/28/33/31/204283331.db2.gz ATILMLNKVBAQNJ-UHFFFAOYSA-N -1 3 364.261 4.250 40 0 FIABHM Cc1ccc(OCC(=O)Nc2cc(C)c([O-])c(Br)c2)cc1C ZINC000226243115 206120638 /nfs/dbraw/zinc/12/06/38/206120638.db2.gz RQERBSHVKLFGGS-UHFFFAOYSA-N -1 3 364.239 4.097 40 0 FIABHM Cc1cc(C)cc(OCC(=O)Nc2cc(C)c([O-])c(Br)c2)c1 ZINC000226243142 206120799 /nfs/dbraw/zinc/12/07/99/206120799.db2.gz ZXKWWVLYWDWGHQ-UHFFFAOYSA-N -1 3 364.239 4.097 40 0 FIABHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000000887487 206137695 /nfs/dbraw/zinc/13/76/95/206137695.db2.gz RNHKTEHEPDNBEV-SKDRFNHKSA-N -1 3 355.809 4.216 40 0 FIABHM C[C@]12CC[C@@H]3c4ccc([O-])c(Br)c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013651795 206305247 /nfs/dbraw/zinc/30/52/47/206305247.db2.gz WSJCDIBESNMSPH-ZHIYBZGJSA-N -1 3 351.284 4.372 40 0 biogenic,in-vitro FIABHM CCCCN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(OCC)c2)C1=O ZINC000409059203 263521693 /nfs/dbraw/zinc/52/16/93/263521693.db2.gz VIHUMLFANCWNDS-LCYFTJDESA-N -1 3 355.843 4.281 40 0 FIABHM C[C@H]1CCc2onc(C(=O)[N-]c3cc(-c4cccc(Cl)c4)no3)c2C1 ZINC000020572114 524444021 /nfs/dbraw/zinc/44/40/21/524444021.db2.gz DHNIUOSEDJXWNA-JTQLQIEISA-N -1 3 357.797 4.360 40 0 FIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)ccc1C ZINC000222795042 568563660 /nfs/dbraw/zinc/56/36/60/568563660.db2.gz ZKICDRAUMHEVCF-ZDUSSCGKSA-N -1 3 353.871 4.005 40 0 FIABHM CC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000408628156 570593738 /nfs/dbraw/zinc/59/37/38/570593738.db2.gz QCKKYJIRXBGGTN-UHFFFAOYSA-N -1 3 369.446 4.157 40 0 FIABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000408703306 570656024 /nfs/dbraw/zinc/65/60/24/570656024.db2.gz RIYTWMMFEZXRIR-UHFFFAOYSA-N -1 3 360.479 4.132 40 0 FIABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000408702267 570656445 /nfs/dbraw/zinc/65/64/45/570656445.db2.gz MJPRGFIFBPSKAP-UHFFFAOYSA-N -1 3 373.261 4.007 40 0 FIABHM O=C1S/C(=C\c2cc(Cl)ccc2[O-])C(=O)N1CCc1ccccc1 ZINC000409007281 570711813 /nfs/dbraw/zinc/71/18/13/570711813.db2.gz OWAGNAHLZSUGCS-WJDWOHSUSA-N -1 3 359.834 4.325 40 0 FIABHM CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1[O-] ZINC000409011333 570712634 /nfs/dbraw/zinc/71/26/34/570712634.db2.gz GCIQLGMGKIQGRC-TVNQGELYSA-N -1 3 355.843 4.279 40 0 FIABHM Cc1ccc(C(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)cc1Cl ZINC000409173938 570735580 /nfs/dbraw/zinc/73/55/80/570735580.db2.gz PUGPHUAGGSBBGA-XAGWURHQSA-N -1 3 374.790 4.147 40 0 FIABHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1Br ZINC000037375350 570852312 /nfs/dbraw/zinc/85/23/12/570852312.db2.gz XGCPFQXRRFKDBK-UHFFFAOYSA-N -1 3 358.232 4.006 40 0 FIABHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(CC)on1 ZINC000020191931 570913390 /nfs/dbraw/zinc/91/33/90/570913390.db2.gz BBOUFHHVSVOQAH-UHFFFAOYSA-N -1 3 370.430 4.395 40 0 FIABHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c[n-]c2ccccc2c1=O ZINC000022233928 570940787 /nfs/dbraw/zinc/94/07/87/570940787.db2.gz KFAVNXBVPFXMCQ-UHFFFAOYSA-N -1 3 366.726 4.453 40 0 FIABHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc2ccccc2c1[O-] ZINC000022233928 570940790 /nfs/dbraw/zinc/94/07/90/570940790.db2.gz KFAVNXBVPFXMCQ-UHFFFAOYSA-N -1 3 366.726 4.453 40 0 FIABHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c(C)c1 ZINC000225255753 571023843 /nfs/dbraw/zinc/02/38/43/571023843.db2.gz LDSCKQSOACWWEK-UHFFFAOYSA-N -1 3 360.262 4.420 40 0 FIABHM Cc1cn[nH]c1[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000257328432 571162603 /nfs/dbraw/zinc/16/26/03/571162603.db2.gz XFPMORLUVMBCCP-GOSISDBHSA-N -1 3 365.433 4.404 40 0 FIABHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000177833784 571277994 /nfs/dbraw/zinc/27/79/94/571277994.db2.gz PTOPWTKVNLGUIX-UHFFFAOYSA-N -1 3 360.660 4.212 40 0 FIABHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c2ccccc12 ZINC000005513393 204212533 /nfs/dbraw/zinc/21/25/33/204212533.db2.gz GGLPLZILUCNVFY-TZIWHRDSSA-N -1 3 372.424 4.018 40 0 FIABHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c2ccccc12 ZINC000005513395 204212624 /nfs/dbraw/zinc/21/26/24/204212624.db2.gz GGLPLZILUCNVFY-CTNGQTDRSA-N -1 3 372.424 4.018 40 0 FIABHM CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)ccc3[O-])S2)cc1 ZINC000006394835 204247056 /nfs/dbraw/zinc/24/70/56/204247056.db2.gz XOMVHDNSIJNANH-CFINBHSISA-N -1 3 360.866 4.208 40 0 FIABHM CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2[O-])o1 ZINC000000649733 206129676 /nfs/dbraw/zinc/12/96/76/206129676.db2.gz AWMXYFDHVVLMRP-UHFFFAOYSA-N -1 3 369.446 4.044 40 0 FIABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000224951717 132283780 /nfs/dbraw/zinc/28/37/80/132283780.db2.gz SPXUDMRRKFTKRK-UHFFFAOYSA-N -1 3 358.507 4.403 40 0 FIABHM O=C(Nc1ccccc1)c1c2c(sc1[N-]C(=O)C(F)(F)F)CCCC2 ZINC000409111967 263528072 /nfs/dbraw/zinc/52/80/72/263528072.db2.gz AZZPTDYIOUQIPN-UHFFFAOYSA-N -1 3 368.380 4.380 40 0 FIABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CCc2ccccc2)N1 ZINC000408733997 570684258 /nfs/dbraw/zinc/68/42/58/570684258.db2.gz BKUMAZOKCDCEKU-KRWDZBQOSA-N -1 3 356.388 4.039 40 0 FIABHM CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1[O-] ZINC000409011330 570712654 /nfs/dbraw/zinc/71/26/54/570712654.db2.gz GCIQLGMGKIQGRC-ITTMYVLYSA-N -1 3 355.843 4.279 40 0 FIABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C)c(Cl)c2)N1 ZINC000409096559 570723023 /nfs/dbraw/zinc/72/30/23/570723023.db2.gz LKVBUNCMKKSBKY-HNNXBMFYSA-N -1 3 362.779 4.291 40 0 FIABHM Cc1cc(C(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000409179158 570736519 /nfs/dbraw/zinc/73/65/19/570736519.db2.gz POGFEXBPRFRREM-HCYDYPBKSA-N -1 3 374.790 4.147 40 0 FIABHM O=C([N-]c1nc(-c2ccccn2)cs1)c1ncoc1-c1cccs1 ZINC000012338291 570738231 /nfs/dbraw/zinc/73/82/31/570738231.db2.gz NENYPMODTNZBSL-UHFFFAOYSA-N -1 3 354.416 4.174 40 0 FIABHM O=S(=O)([N-][C@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000013939632 570798174 /nfs/dbraw/zinc/79/81/74/570798174.db2.gz VJJOXIGDZFDRGL-HNNXBMFYSA-N -1 3 356.274 4.349 40 0 FIABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000020029961 570908571 /nfs/dbraw/zinc/90/85/71/570908571.db2.gz URIRNZCXNHRUAQ-MRXNPFEDSA-N -1 3 365.882 4.095 40 0 FIABHM CC(C)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020455354 570916697 /nfs/dbraw/zinc/91/66/97/570916697.db2.gz DAFZUJVXMRECLR-UHFFFAOYSA-N -1 3 366.870 4.087 40 0 FIABHM Cc1nnc([N-]c2cncc([C@H]3CCCN3Cc3ccccc3C)n2)s1 ZINC000072376311 571186055 /nfs/dbraw/zinc/18/60/55/571186055.db2.gz XESWQWRKEXUGFG-QGZVFWFLSA-N -1 3 366.494 4.026 40 0 FIABHM c1csc([N-]c2nccc([C@@H]3CCCN3CCc3ccccc3)n2)n1 ZINC000072377578 571186389 /nfs/dbraw/zinc/18/63/89/571186389.db2.gz HZJGSFMDOKWYKT-KRWDZBQOSA-N -1 3 351.479 4.056 40 0 FIABHM C[C@]12CC[C@H]3c4cc(Br)c([O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000003902446 204114599 /nfs/dbraw/zinc/11/45/99/204114599.db2.gz SORISAYAZBCIQH-LHNYJSQHSA-N -1 3 351.284 4.372 40 0 biogenic,in-vitro FIABHM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000005598754 204217465 /nfs/dbraw/zinc/21/74/65/204217465.db2.gz HWXIKDSJLBHSHG-UHFFFAOYSA-N -1 3 355.415 4.288 40 0 FIABHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000007051648 204287148 /nfs/dbraw/zinc/28/71/48/204287148.db2.gz IKCNZIYRTNNREI-UHFFFAOYSA-N -1 3 352.459 4.241 40 0 FIABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)n1 ZINC000047318290 205144492 /nfs/dbraw/zinc/14/44/92/205144492.db2.gz RIXGXPPKUOGKNX-UHFFFAOYSA-N -1 3 361.445 4.295 40 0 FIABHM CCc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1OC ZINC000223683753 568700139 /nfs/dbraw/zinc/70/01/39/568700139.db2.gz LRRQIVKTJLFEJJ-UHFFFAOYSA-N -1 3 359.369 4.077 40 0 FIABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C(C)(C)C)cc2)N1 ZINC000409058916 570717236 /nfs/dbraw/zinc/71/72/36/570717236.db2.gz ZNXKOEILJGTILP-QGZVFWFLSA-N -1 3 356.388 4.093 40 0 FIABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000014225125 570813583 /nfs/dbraw/zinc/81/35/83/570813583.db2.gz WJYCRTLKNQAIPM-UHFFFAOYSA-N -1 3 359.369 4.311 40 0 FIABHM CC(C)c1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000020107275 570910396 /nfs/dbraw/zinc/91/03/96/570910396.db2.gz KTQUKWVJFKDFJG-UHFFFAOYSA-N -1 3 366.870 4.087 40 0 FIABHM CC(C)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000020460249 570917138 /nfs/dbraw/zinc/91/71/38/570917138.db2.gz IGSDFHGMZFPEAM-UHFFFAOYSA-N -1 3 366.870 4.087 40 0 FIABHM [O-]c1cccnc1NC(=S)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000223915232 570971882 /nfs/dbraw/zinc/97/18/82/570971882.db2.gz NVSKSCIUEJGKLZ-UHFFFAOYSA-N -1 3 359.838 4.187 40 0 FIABHM Cn1cccc1CN(C(=O)c1ccc2[n-]c(Cl)nc2c1)C1CCCC1 ZINC000225982348 571081791 /nfs/dbraw/zinc/08/17/91/571081791.db2.gz KJVFUAOHXHTSAQ-UHFFFAOYSA-N -1 3 356.857 4.140 40 0 FIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(C)C ZINC000007361247 571298784 /nfs/dbraw/zinc/29/87/84/571298784.db2.gz NGWGKMHJONMNIN-UHFFFAOYSA-N -1 3 363.479 4.407 40 0 FIABHM O=C([N-][S@@](=O)[C@@H]1C=C[C@H]2CCC[C@@H]21)O[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000005765933 204224438 /nfs/dbraw/zinc/22/44/38/204224438.db2.gz JFJYIEIQAXWPJD-FNMUAWSMSA-N -1 3 373.518 4.457 40 0 FIABHM C[C@H](O)CCCCCCCCC[C@@H]1Cc2cc([O-])cc(O)c2C(=O)O1 ZINC000013460235 206302726 /nfs/dbraw/zinc/30/27/26/206302726.db2.gz YLEKEQNOOIMZQM-WMLDXEAASA-N -1 3 350.455 4.071 40 0 biogenic,in-vitro FIABHM COc1ccc(-n2c(COc3cccc4ccccc43)n[n-]c2=S)cc1 ZINC000013535149 206303348 /nfs/dbraw/zinc/30/33/48/206303348.db2.gz UEFCKWJOTZLHCQ-UHFFFAOYSA-N -1 3 363.442 4.297 40 0 FIABHM C[C@]12CC[C@H]3c4ccc([O-])c(Br)c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000017419101 560090962 /nfs/dbraw/zinc/09/09/62/560090962.db2.gz WSJCDIBESNMSPH-UNSNBMSVSA-N -1 3 351.284 4.372 40 0 biogenic,in-vitro FIABHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C)c(Cl)c2)N1 ZINC000409096569 570723118 /nfs/dbraw/zinc/72/31/18/570723118.db2.gz LKVBUNCMKKSBKY-OAHLLOKOSA-N -1 3 362.779 4.291 40 0 FIABHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)c(C)c2)N1 ZINC000409181521 570736786 /nfs/dbraw/zinc/73/67/86/570736786.db2.gz CMQBMBWOORPGCB-HNNXBMFYSA-N -1 3 362.779 4.291 40 0 FIABHM Cc1cc(C(=O)N2NC(CC(C)C)=C[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000409180660 570736895 /nfs/dbraw/zinc/73/68/95/570736895.db2.gz YYAUGKWLIMDJMZ-HNNXBMFYSA-N -1 3 362.779 4.147 40 0 FIABHM CCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)c(C)c2)N1 ZINC000409181522 570736987 /nfs/dbraw/zinc/73/69/87/570736987.db2.gz CMQBMBWOORPGCB-OAHLLOKOSA-N -1 3 362.779 4.291 40 0 FIABHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccccn4)cs3)no2)cc1 ZINC000019665768 570898002 /nfs/dbraw/zinc/89/80/02/570898002.db2.gz AQAFIRYVIIWEHA-UHFFFAOYSA-N -1 3 362.414 4.421 40 0 FIABHM O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1c[n-]c2ccccc2c1=O ZINC000022233995 570941002 /nfs/dbraw/zinc/94/10/02/570941002.db2.gz QCBVKSYKGDVCDV-UHFFFAOYSA-N -1 3 366.726 4.453 40 0 FIABHM O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc2ccccc2c1[O-] ZINC000022233995 570941004 /nfs/dbraw/zinc/94/10/04/570941004.db2.gz QCBVKSYKGDVCDV-UHFFFAOYSA-N -1 3 366.726 4.453 40 0 FIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)c(C)cc1C ZINC000022540372 570946258 /nfs/dbraw/zinc/94/62/58/570946258.db2.gz AOQOUUXNEOCOSY-CQSZACIVSA-N -1 3 367.898 4.313 40 0 FIABHM [O-]c1cccnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000223977733 570973533 /nfs/dbraw/zinc/97/35/33/570973533.db2.gz BDSFHWSVAQLQEW-UHFFFAOYSA-N -1 3 361.898 4.239 40 0 FIABHM Cc1ccc(C(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000032100784 571056538 /nfs/dbraw/zinc/05/65/38/571056538.db2.gz JEBNWCXOKCCXTE-KRWDZBQOSA-N -1 3 354.372 4.028 40 0 FIABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C(C)C ZINC000225743989 571061272 /nfs/dbraw/zinc/06/12/72/571061272.db2.gz OPCMFOOMVHZONE-UHFFFAOYSA-N -1 3 361.463 4.130 40 0 FIABHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1c1ccccn1 ZINC000026841140 571184740 /nfs/dbraw/zinc/18/47/40/571184740.db2.gz OHGNGEWKUQBPLJ-NRFANRHFSA-N -1 3 352.397 4.222 40 0 FIABHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccccc2)N1c1ccccn1 ZINC000026841140 571184743 /nfs/dbraw/zinc/18/47/43/571184743.db2.gz OHGNGEWKUQBPLJ-NRFANRHFSA-N -1 3 352.397 4.222 40 0 FIABHM Clc1ccc(CN2CCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377606 571186541 /nfs/dbraw/zinc/18/65/41/571186541.db2.gz RTPDUPDIFIJUQO-QGZVFWFLSA-N -1 3 366.856 4.001 40 0 FIABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(c3ccncc3)CC2)o1 ZINC000585177738 571237919 /nfs/dbraw/zinc/23/79/19/571237919.db2.gz VXDDESDSRHECGC-UHFFFAOYSA-N -1 3 362.429 4.419 40 0 FIABHM Cc1ccc(C(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1Cl ZINC000016312711 571303710 /nfs/dbraw/zinc/30/37/10/571303710.db2.gz GOGJBAUXRAILEB-MLGOLLRUSA-N -1 3 374.790 4.291 40 0 FIABHM COc1ccc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)c(Cl)c1Cl ZINC000223851891 209771491 /nfs/dbraw/zinc/77/14/91/209771491.db2.gz QGAOATRCKYVTCG-UHFFFAOYSA-N -1 3 368.326 4.495 40 0 FIABHM CCc1ccc(OCC(=O)Nc2cc(C)c([O-])c(Br)c2)cc1 ZINC000226243073 209365360 /nfs/dbraw/zinc/36/53/60/209365360.db2.gz SZHQOSNIHHMPIV-UHFFFAOYSA-N -1 3 364.239 4.043 40 0 FIABHM Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc([O-])cc3)o2)c(C)c1 ZINC000000907310 209381344 /nfs/dbraw/zinc/38/13/44/209381344.db2.gz SIXDFJPHYKMCOG-UHFFFAOYSA-N -1 3 369.446 4.098 40 0 FIABHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(F)c(F)c1 ZINC000013678638 220084792 /nfs/dbraw/zinc/08/47/92/220084792.db2.gz MMBGSARTVFUJJE-UHFFFAOYSA-N -1 3 352.189 4.214 40 0 FIABHM O=S(=O)([N-]CCCc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000010543320 207303176 /nfs/dbraw/zinc/30/31/76/207303176.db2.gz QDRLOKOZOUVREW-UHFFFAOYSA-N -1 3 362.253 4.044 40 0 FIABHM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2O1 ZINC000223658133 568692218 /nfs/dbraw/zinc/69/22/18/568692218.db2.gz ICOBVLSPWMDELO-UHFFFAOYSA-N -1 3 351.855 4.244 40 0 FIABHM CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1[O-] ZINC000043078872 570523861 /nfs/dbraw/zinc/52/38/61/570523861.db2.gz OYFQNZGRVMTXCA-GHXNOFRVSA-N -1 3 360.207 4.046 40 0 FIABHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000409269282 570747752 /nfs/dbraw/zinc/74/77/52/570747752.db2.gz AORIUXWXOVIYRP-UHFFFAOYSA-N -1 3 369.233 4.102 40 0 FIABHM 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CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc([O-])cc2)o1 ZINC000000863684 209379058 /nfs/dbraw/zinc/37/90/58/209379058.db2.gz ACCCWXTXQSZJLF-UHFFFAOYSA-N -1 3 369.446 4.044 40 0 FIABHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1c(F)cccc1F ZINC000013677078 220084982 /nfs/dbraw/zinc/08/49/82/220084982.db2.gz IHKSUSJBFYEYLG-UHFFFAOYSA-N -1 3 352.189 4.214 40 0 FIABHM C[C@H](O)CCCCCCCCC[C@H]1Cc2cc([O-])cc(O)c2C(=O)O1 ZINC000013460239 560217086 /nfs/dbraw/zinc/21/70/86/560217086.db2.gz YLEKEQNOOIMZQM-YOEHRIQHSA-N -1 3 350.455 4.071 40 0 biogenic,in-vitro FIABHM C[C@]12CC[C@@H]3c4cc(Br)c([O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013651794 560220040 /nfs/dbraw/zinc/22/00/40/560220040.db2.gz SORISAYAZBCIQH-XSSYPUMDSA-N -1 3 351.284 4.372 40 0 biogenic,in-vitro FIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)c(C)cc1C ZINC000022540369 570946538 /nfs/dbraw/zinc/94/65/38/570946538.db2.gz AOQOUUXNEOCOSY-AWEZNQCLSA-N -1 3 367.898 4.313 40 0 FIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C)c(C)c1 ZINC000225799055 571067170 /nfs/dbraw/zinc/06/71/70/571067170.db2.gz JGLPZXOHPHQQTE-CYBMUJFWSA-N -1 3 353.871 4.005 40 0 FIABHM Cc1cncc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1 ZINC000257213836 571150983 /nfs/dbraw/zinc/15/09/83/571150983.db2.gz CJGKZQBZGMVGNK-QFIPXVFZSA-N -1 3 373.456 4.487 40 0 FIABHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc2N1 ZINC000078403952 571216160 /nfs/dbraw/zinc/21/61/60/571216160.db2.gz MGZLZYWZADHIQB-VIFPVBQESA-N -1 3 357.262 4.151 40 0 FIABHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc2N1 ZINC000078403951 571216227 /nfs/dbraw/zinc/21/62/27/571216227.db2.gz MGZLZYWZADHIQB-SECBINFHSA-N -1 3 357.262 4.151 40 0 FIABHM CCCCn1cc([C@@H]2CC(=O)N(c3ccccc3[O-])C2=O)c2ccccc21 ZINC000002130773 209393587 /nfs/dbraw/zinc/39/35/87/209393587.db2.gz CCZOCIXYUSOJDT-INIZCTEOSA-N -1 3 362.429 4.194 40 0 FIABHM Fc1cccc(Cl)c1-c1[nH]c(=S)[nH]c2nc(=S)[n-]c(=S)c1-2 ZINC000005816160 207117832 /nfs/dbraw/zinc/11/78/32/207117832.db2.gz AKTQZYPYHOLBQL-UHFFFAOYSA-N -1 3 356.860 4.071 40 0 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O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[n-]c2ccccc2c1=O ZINC000022233930 571136686 /nfs/dbraw/zinc/13/66/86/571136686.db2.gz PCUKSTVWKCBEIU-UHFFFAOYSA-N -1 3 370.408 4.359 40 0 FIABHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc2ccccc2c1[O-] ZINC000022233930 571136688 /nfs/dbraw/zinc/13/66/88/571136688.db2.gz PCUKSTVWKCBEIU-UHFFFAOYSA-N -1 3 370.408 4.359 40 0 FIABHM Cc1nccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)n1 ZINC000257309428 571160487 /nfs/dbraw/zinc/16/04/87/571160487.db2.gz UAWXOTMTJXGFSG-QFIPXVFZSA-N -1 3 373.456 4.487 40 0 FIABHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc2N1 ZINC000078403948 571216258 /nfs/dbraw/zinc/21/62/58/571216258.db2.gz GNGPNWJLHMGXQV-VIFPVBQESA-N -1 3 357.262 4.151 40 0 FIABHM C[C@@]12CC[C@@H]3c4ccc([O-])c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000003902439 571292935 /nfs/dbraw/zinc/29/29/35/571292935.db2.gz WSJCDIBESNMSPH-NEZYRJPUSA-N -1 3 351.284 4.372 40 0 FIABHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)c(Cl)c1Cl ZINC000223852547 222795385 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CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1[O-] ZINC000006297096 570780814 /nfs/dbraw/zinc/78/08/14/570780814.db2.gz MMPSNXSUZKDTTO-QPSGOUHRSA-N -1 3 359.735 4.304 40 0 FIABHM CCSc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1[O-])=N2 ZINC000017072734 570868980 /nfs/dbraw/zinc/86/89/80/570868980.db2.gz YKABHOULXLPVOA-MRXNPFEDSA-N -1 3 350.447 4.152 40 0 FIABHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1N1CCCC1=O ZINC000020456378 570917262 /nfs/dbraw/zinc/91/72/62/570917262.db2.gz FLDCZUKLWAQZIP-UHFFFAOYSA-N -1 3 372.490 4.046 40 0 FIABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(C)c1C ZINC000224785875 571000949 /nfs/dbraw/zinc/00/09/49/571000949.db2.gz DPXFQDCNVPCTRV-UHFFFAOYSA-N -1 3 359.369 4.132 40 0 FIABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 ZINC000224858473 571003203 /nfs/dbraw/zinc/00/32/03/571003203.db2.gz UTLFHBKNHQPADG-IAGOWNOFSA-N -1 3 371.849 4.211 40 0 FIABHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000033916316 571085399 /nfs/dbraw/zinc/08/53/99/571085399.db2.gz 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MDJWNBZQHQYJEK-AWEZNQCLSA-N -1 3 368.458 4.166 40 0 FIABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccncn2)cc1 ZINC000257321426 223064463 /nfs/dbraw/zinc/06/44/63/223064463.db2.gz WBQQBCJYBKGZTA-OAQYLSRUSA-N -1 3 359.429 4.179 40 0 FIABHM CCCC[N-]C(=S)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020582994 211286906 /nfs/dbraw/zinc/28/69/06/211286906.db2.gz UKNRNGYHDDWDAV-UHFFFAOYSA-N -1 3 372.334 4.380 40 0 FIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3ccccc32)c(Cl)c1 ZINC000020036968 211265063 /nfs/dbraw/zinc/26/50/63/211265063.db2.gz OZHUCHDQYAXZTG-UHFFFAOYSA-N -1 3 374.849 4.117 40 0 FIABHM COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)OCc1cc(C)cc([O-])c1O2 ZINC000006070256 560204960 /nfs/dbraw/zinc/20/49/60/560204960.db2.gz UOWGLBYIKHMCIS-HNNXBMFYSA-N -1 3 372.417 4.251 40 0 biogenic,in-vitro FIABHM [O-]C(=NOCc1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000004290490 570583409 /nfs/dbraw/zinc/58/34/09/570583409.db2.gz BBWZHRFXIANFAW-UHFFFAOYSA-N -1 3 355.619 4.356 40 0 FIABHM O=C([N-]OCc1ccccc1)Nc1ccc(Br)c(Cl)c1 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354.372 4.028 40 0 FIABHM Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1[O-] ZINC000226242987 571276100 /nfs/dbraw/zinc/27/61/00/571276100.db2.gz PLVCQUIUNZCHGI-UHFFFAOYSA-N -1 3 354.631 4.298 40 0 FIABHM O=C([O-])c1ccccc1-c1ccc(CN2CC[C@H](Cc3nccs3)C2)o1 ZINC000257266525 223044209 /nfs/dbraw/zinc/04/42/09/223044209.db2.gz MDJWNBZQHQYJEK-CQSZACIVSA-N -1 3 368.458 4.166 40 0 FIABHM C[C@H]1CCc2onc(C(=O)[N-]c3c(F)cc(F)cc3Br)c2C1 ZINC000020572100 211287192 /nfs/dbraw/zinc/28/71/92/211287192.db2.gz XYKZBHSZVBBPBC-ZETCQYMHSA-N -1 3 371.181 4.092 40 0 FIABHM Cc1ccc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000013668770 211047653 /nfs/dbraw/zinc/04/76/53/211047653.db2.gz KYOQOFSXKLDFJH-UHFFFAOYSA-N -1 3 358.290 4.213 40 0 FIABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000222802059 568564682 /nfs/dbraw/zinc/56/46/82/568564682.db2.gz KLELTYPRVFGDKR-UHFFFAOYSA-N -1 3 360.262 4.420 40 0 FIABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 ZINC000408611806 570581272 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O=C([N-]c1nnc(SCc2nc3ccccc3[nH]2)s1)c1cccs1 ZINC000032501688 210167448 /nfs/dbraw/zinc/16/74/48/210167448.db2.gz UWGORQUCCABZDL-UHFFFAOYSA-N -1 3 373.488 4.021 40 0 FIABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257283754 223049371 /nfs/dbraw/zinc/04/93/71/223049371.db2.gz OZTBKIFIMHORHU-LJQANCHMSA-N -1 3 373.456 4.221 40 0 FIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000064467775 212039007 /nfs/dbraw/zinc/03/90/07/212039007.db2.gz MHNIMWZCXXTRGJ-UHFFFAOYSA-N -1 3 363.382 4.108 40 0 FIABHM CCOc1ccccc1-n1c(COc2ccc(CC)cc2)n[n-]c1=S ZINC000013535536 220072689 /nfs/dbraw/zinc/07/26/89/220072689.db2.gz DPEJJVHDAUQCHR-UHFFFAOYSA-N -1 3 355.463 4.096 40 0 FIABHM Cc1cc(C)cc(OCn2ccc(C(=O)Nc3cc(Cl)ccc3[O-])n2)c1 ZINC000017076158 220204573 /nfs/dbraw/zinc/20/45/73/220204573.db2.gz DZCKYSKOYHUMHV-UHFFFAOYSA-N -1 3 371.824 4.148 40 0 FIABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1 ZINC000020029951 211266694 /nfs/dbraw/zinc/26/66/94/211266694.db2.gz LQFJEHYFANDQQB-NSHDSACASA-N -1 3 374.289 4.432 40 0 FIABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2ccccc21 ZINC000020029962 211266759 /nfs/dbraw/zinc/26/67/59/211266759.db2.gz URIRNZCXNHRUAQ-INIZCTEOSA-N -1 3 365.882 4.095 40 0 FIABHM O=C([N-][S@@](=O)[C@@H]1C=C[C@H]2CCC[C@@H]21)O[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000005765935 210639853 /nfs/dbraw/zinc/63/98/53/210639853.db2.gz JFJYIEIQAXWPJD-WQSFKSTJSA-N -1 3 373.518 4.457 40 0 FIABHM COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000408823280 570690113 /nfs/dbraw/zinc/69/01/13/570690113.db2.gz NOMGTYYEDCWIGZ-ZROIWOOFSA-N -1 3 361.806 4.295 40 0 FIABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1)N2 ZINC000409102859 570724883 /nfs/dbraw/zinc/72/48/83/570724883.db2.gz BOKGCAVEEZWSTN-QWQRMKEZSA-N -1 3 368.399 4.212 40 0 FIABHM Cc1cc(NC(=O)/C=C/c2ccco2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000007505070 570790944 /nfs/dbraw/zinc/79/09/44/570790944.db2.gz AAFYNEGXTMTWIV-VOTSOKGWSA-N -1 3 361.357 4.149 40 0 FIABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000029046480 571036415 /nfs/dbraw/zinc/03/64/15/571036415.db2.gz OBTCYHAFXLZPCW-UHFFFAOYSA-N -1 3 359.369 4.132 40 0 FIABHM Cc1cc(CN(C(=O)c2ccc3[n-]c(Cl)nc3c2)C(C)C)c(C)n1C ZINC000225985374 571081766 /nfs/dbraw/zinc/08/17/66/571081766.db2.gz SBPBULUJDJNZDG-UHFFFAOYSA-N -1 3 358.873 4.222 40 0 FIABHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 ZINC000016124946 220178295 /nfs/dbraw/zinc/17/82/95/220178295.db2.gz SYQUTEWEPFVKBR-UHFFFAOYSA-N -1 3 360.660 4.212 40 0 FIABHM CC(C)c1csc([N-]C(=O)c2cc(COc3ccccc3F)on2)n1 ZINC000019714676 220288900 /nfs/dbraw/zinc/28/89/00/220288900.db2.gz MWOIUUOJIPPTEM-UHFFFAOYSA-N -1 3 361.398 4.225 40 0 FIABHM CC(C)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000020487688 220329529 /nfs/dbraw/zinc/32/95/29/220329529.db2.gz ACAWTFKOEKCFPG-UHFFFAOYSA-N -1 3 366.870 4.087 40 0 FIABHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000089065128 524489651 /nfs/dbraw/zinc/48/96/51/524489651.db2.gz PYTKYXPRKITEPX-UHFFFAOYSA-N -1 3 360.660 4.212 40 0 FIABHM C[C@]12CC[C@@H]3c4cc(Br)c([O-])cc4CC[C@H]3[C@H]1CC[C@@H]2O ZINC000253393404 525350974 /nfs/dbraw/zinc/35/09/74/525350974.db2.gz SORISAYAZBCIQH-XKTXQELYSA-N -1 3 351.284 4.372 40 0 biogenic,in-vitro FIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cc(C)ccc1C ZINC000222795097 568563714 /nfs/dbraw/zinc/56/37/14/568563714.db2.gz ZKICDRAUMHEVCF-CYBMUJFWSA-N -1 3 353.871 4.005 40 0 FIABHM COc1ccc(CC(=O)c2ccc3c(c2[O-])C=CC(C)(C)O3)cc1OC ZINC000001608502 570503017 /nfs/dbraw/zinc/50/30/17/570503017.db2.gz GEMUMBODWRGEIP-UHFFFAOYSA-N -1 3 354.402 4.019 40 0 FIABHM O=Cc1cn(Cc2nc(=O)c3c4c(sc3[n-]2)CCCC4)c2ccccc12 ZINC000408581547 570564392 /nfs/dbraw/zinc/56/43/92/570564392.db2.gz IVQTUMMYFSSEFZ-UHFFFAOYSA-N -1 3 363.442 4.091 40 0 FIABHM CC(=O)[N-]c1nn(C(=O)N(c2ccccc2)c2ccccc2)c(=S)s1 ZINC000005726306 570634419 /nfs/dbraw/zinc/63/44/19/570634419.db2.gz QHAHQLYUQBSEBQ-UHFFFAOYSA-N -1 3 370.459 4.439 40 0 FIABHM O=S(=O)([N-][C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000013939631 570798051 /nfs/dbraw/zinc/79/80/51/570798051.db2.gz VJJOXIGDZFDRGL-OAHLLOKOSA-N -1 3 356.274 4.349 40 0 FIABHM [O-]c1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 ZINC000224590436 570993647 /nfs/dbraw/zinc/99/36/47/570993647.db2.gz FIYAVGRBOLLEEI-DLBZAZTESA-N -1 3 353.472 4.026 40 0 FIABHM O=C(CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1[O-] ZINC000059200832 571088053 /nfs/dbraw/zinc/08/80/53/571088053.db2.gz RQOILLKRYWOOPC-UHFFFAOYSA-N -1 3 350.852 4.386 40 0 FIABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000585177735 571238014 /nfs/dbraw/zinc/23/80/14/571238014.db2.gz OEOKHXDLEZWLKI-UHFFFAOYSA-N -1 3 373.456 4.221 40 0 FIABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H](c3ccccn3)C2)o1 ZINC000257341411 223072323 /nfs/dbraw/zinc/07/23/23/223072323.db2.gz ZKEQYLGZLZVSLE-INIZCTEOSA-N -1 3 362.429 4.419 40 0 FIABHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000028219942 220560883 /nfs/dbraw/zinc/56/08/83/220560883.db2.gz KMBUBASFGPOTJI-UHFFFAOYSA-N -1 3 363.442 4.135 40 0 FIABHM Cc1cc(Br)c(S(=O)(=O)[N-]C2CCCCC2)cc1Cl ZINC000054363103 221053431 /nfs/dbraw/zinc/05/34/31/221053431.db2.gz DLJBVFMOYVIYTQ-UHFFFAOYSA-N -1 3 366.708 4.022 40 0 FIABHM CCOc1ccccc1-c1cc([N-]C(=O)c2noc3c2CCCCC3)on1 ZINC000020190280 521439259 /nfs/dbraw/zinc/43/92/59/521439259.db2.gz XBLGEQKGSRXJKT-UHFFFAOYSA-N -1 3 367.405 4.250 40 0 FIABHM [O-]c1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000057610871 568284320 /nfs/dbraw/zinc/28/43/20/568284320.db2.gz QFKXOYAVBVWQRO-KPSZGOFPSA-N -1 3 360.133 4.015 40 0 FIABHM [O-]c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000057610871 568284322 /nfs/dbraw/zinc/28/43/22/568284322.db2.gz QFKXOYAVBVWQRO-KPSZGOFPSA-N -1 3 360.133 4.015 40 0 FIABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccccc1)N2 ZINC000409102646 570724877 /nfs/dbraw/zinc/72/48/77/570724877.db2.gz BOKGCAVEEZWSTN-HBUWYVDXSA-N -1 3 368.399 4.212 40 0 FIABHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c(Cl)c1Cl ZINC000223852493 570970217 /nfs/dbraw/zinc/97/02/17/570970217.db2.gz XXACTVXEPNFFKJ-LLVKDONJSA-N -1 3 374.289 4.084 40 0 FIABHM Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224590550 570993445 /nfs/dbraw/zinc/99/34/45/570993445.db2.gz LPXDLHCZNSNVEV-SJORKVTESA-N -1 3 367.499 4.334 40 0 FIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1Cl ZINC000044945727 571105308 /nfs/dbraw/zinc/10/53/08/571105308.db2.gz IHAJAAUBAJPBQA-UHFFFAOYSA-N -1 3 374.849 4.117 40 0 FIABHM Cc1c[nH]nc1[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257338447 223071196 /nfs/dbraw/zinc/07/11/96/223071196.db2.gz YXLLBNOKVOSKTO-HNNXBMFYSA-N -1 3 365.433 4.056 40 0 FIABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc3ccccc32)cc1Cl ZINC000022517765 220388666 /nfs/dbraw/zinc/38/86/66/220388666.db2.gz FVFFFAPSCMTPON-UHFFFAOYSA-N -1 3 374.849 4.117 40 0 FIABHM CC(C)S(=O)(=O)[N-]c1ccsc1-c1ccc(Br)cc1 ZINC000071624669 221352933 /nfs/dbraw/zinc/35/29/33/221352933.db2.gz MGQIVBAHMOCRQB-UHFFFAOYSA-N -1 3 360.298 4.328 40 0 FIABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000224955132 132283738 /nfs/dbraw/zinc/28/37/38/132283738.db2.gz KMYORFPQYXSIKB-UHFFFAOYSA-N -1 3 362.520 4.200 40 0 FIABHM CCn1c(-c2cc(OC)ccc2OC)cs/c1=N/c1cccc([O-])c1 ZINC000102929253 222313501 /nfs/dbraw/zinc/31/35/01/222313501.db2.gz NPBNYNMMHRSKJA-FMQUCBEESA-N -1 3 356.447 4.192 40 0 FIABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000020454606 263380131 /nfs/dbraw/zinc/38/01/31/263380131.db2.gz KXPFHHATTBRDKG-UHFFFAOYSA-N -1 3 374.849 4.117 40 0 FIABHM CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000408619057 570583003 /nfs/dbraw/zinc/58/30/03/570583003.db2.gz FTHOAPKUYOCCIM-UHFFFAOYSA-N -1 3 371.487 4.138 40 0 FIABHM Cc1ccc(C(=O)N2NC(CC(C)C)=C[C@]2([O-])C(F)(F)F)cc1Cl ZINC000409095764 570723106 /nfs/dbraw/zinc/72/31/06/570723106.db2.gz IWXPQXMGUWGRBN-HNNXBMFYSA-N -1 3 362.779 4.147 40 0 FIABHM O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1[O-] ZINC000409410950 570757515 /nfs/dbraw/zinc/75/75/15/570757515.db2.gz BCHWKLCESNLCJA-UHFFFAOYSA-N -1 3 350.852 4.386 40 0 FIABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c(C)c1 ZINC000225799040 571067268 /nfs/dbraw/zinc/06/72/68/571067268.db2.gz JGLPZXOHPHQQTE-ZDUSSCGKSA-N -1 3 353.871 4.005 40 0 FIABHM CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccc([O-])cc2)C1 ZINC000004039728 571209487 /nfs/dbraw/zinc/20/94/87/571209487.db2.gz CYSHNJQMYORNJI-KRXUUXHPSA-N -1 3 358.478 4.461 40 0 biogenic FIABHM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(Br)s3)o2)cc1 ZINC000012515229 571313397 /nfs/dbraw/zinc/31/33/97/571313397.db2.gz QKSDWSBGDVYRKQ-UHFFFAOYSA-N -1 3 364.224 4.121 40 0 FIABHM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2[O-])o1 ZINC000000852452 219330762 /nfs/dbraw/zinc/33/07/62/219330762.db2.gz PQUDDUNSHWBPMB-CYBMUJFWSA-N -1 3 369.446 4.178 40 0 FIABHM COc1cccc(-n2c(COc3cccc4ccccc43)n[n-]c2=S)c1 ZINC000013535156 220072357 /nfs/dbraw/zinc/07/23/57/220072357.db2.gz DYGIFWVRKPKARU-UHFFFAOYSA-N -1 3 363.442 4.297 40 0 FIABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000019886412 220303429 /nfs/dbraw/zinc/30/34/29/220303429.db2.gz ILYHKVYYKWONHS-UHFFFAOYSA-N -1 3 373.261 4.007 40 0 FIABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cc1 ZINC000020029952 220309812 /nfs/dbraw/zinc/30/98/12/220309812.db2.gz LQFJEHYFANDQQB-LLVKDONJSA-N -1 3 374.289 4.432 40 0 FIABHM S=c1nc2ccccc2c2[n-]c(COc3cccc4ccccc43)nn21 ZINC000008559872 263355929 /nfs/dbraw/zinc/35/59/29/263355929.db2.gz ZLXOTLIQESUBTJ-UHFFFAOYSA-N -1 3 358.426 4.298 40 0 FIABHM CCc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1OC ZINC000224977766 536157132 /nfs/dbraw/zinc/15/71/32/536157132.db2.gz PYQWGQDQTPYRDD-UHFFFAOYSA-N -1 3 374.506 4.049 40 0 FIABHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C ZINC000408605046 570577652 /nfs/dbraw/zinc/57/76/52/570577652.db2.gz JOANNXKHZWDRQO-UHFFFAOYSA-N -1 3 373.261 4.061 40 0 FIABHM COc1c(F)c(F)c(C(=O)[N-]c2nc3ccc(F)cc3s2)c(F)c1F ZINC000408621973 570587881 /nfs/dbraw/zinc/58/78/81/570587881.db2.gz 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