smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000619324420 1125569384 /nfs/dbraw/zinc/56/93/84/1125569384.db2.gz TWSQNQCPKCPIOM-DZGCQCFKSA-N -1 3 354.454 4.105 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCC[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000619324423 1125569534 /nfs/dbraw/zinc/56/95/34/1125569534.db2.gz TWSQNQCPKCPIOM-ZFWWWQNUSA-N -1 3 354.454 4.105 20 0 FIADHM CCCOc1ccc(-c2csc([N-]c3ncnc4c3cnn4C)n2)cc1 ZINC000163101736 1125605103 /nfs/dbraw/zinc/60/51/03/1125605103.db2.gz DNLQCTOGYFGEOK-UHFFFAOYSA-N -1 3 366.450 4.019 20 0 FIADHM COc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc(OC)c1[O-] ZINC000153223833 1125760326 /nfs/dbraw/zinc/76/03/26/1125760326.db2.gz OENRZTNTNNOLSD-SFHVURJKSA-N -1 3 361.413 4.066 20 0 FIADHM CC(C)(C)OCc1cc(C(=O)[N-]c2c(F)cccc2Br)no1 ZINC000274613736 1079597061 /nfs/dbraw/zinc/59/70/61/1079597061.db2.gz UMTHAMLBGAYWER-UHFFFAOYSA-N -1 3 371.206 4.144 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000579753677 1079615425 /nfs/dbraw/zinc/61/54/25/1079615425.db2.gz ILLWCODWTLLMHB-JOCQHMNTSA-N -1 3 373.884 4.118 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1C ZINC000471133348 1079778520 /nfs/dbraw/zinc/77/85/20/1079778520.db2.gz KEKGKQKGBZBCIV-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c(C)c1 ZINC000471137536 1079794830 /nfs/dbraw/zinc/79/48/30/1079794830.db2.gz UJOYGYIPQAJKNB-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000683171818 1079798563 /nfs/dbraw/zinc/79/85/63/1079798563.db2.gz QCFHJURTWZVWBY-MRXNPFEDSA-N -1 3 354.233 4.308 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC ZINC000683173586 1079815634 /nfs/dbraw/zinc/81/56/34/1079815634.db2.gz MWCWGOZRXDIGQJ-KKSFZXQISA-N -1 3 371.477 4.405 20 0 FIADHM CC[C@@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC ZINC000683173583 1079816809 /nfs/dbraw/zinc/81/68/09/1079816809.db2.gz MWCWGOZRXDIGQJ-IERDGZPVSA-N -1 3 371.477 4.405 20 0 FIADHM O=C([O-])c1cccc(CNCC2=Cc3cc(Cl)cc(Cl)c3OC2)c1 ZINC000683176778 1079827136 /nfs/dbraw/zinc/82/71/36/1079827136.db2.gz RMUXKWKXCSNSTL-UHFFFAOYSA-N -1 3 364.228 4.257 20 0 FIADHM C[C@H]1C[C@@H]1c1noc(CC2CCN(Cc3cccc([O-])c3Cl)CC2)n1 ZINC000651954110 1079951951 /nfs/dbraw/zinc/95/19/51/1079951951.db2.gz FJYCBEBLOYNFEI-WFASDCNBSA-N -1 3 361.873 4.007 20 0 FIADHM CCc1nnc([N-]C(=O)c2csc(-c3ccccc3Cl)n2)s1 ZINC000066268974 1079993087 /nfs/dbraw/zinc/99/30/87/1079993087.db2.gz YKYULVMMOKLSEC-UHFFFAOYSA-N -1 3 350.856 4.130 20 0 FIADHM Cc1ccc([O-])c(CN2C[C@@H](c3cccc(C(F)(F)F)c3)O[C@@H](C)C2)n1 ZINC000430221847 1080017899 /nfs/dbraw/zinc/01/78/99/1080017899.db2.gz UMQYIKYOTMTWQT-UGSOOPFHSA-N -1 3 366.383 4.076 20 0 FIADHM O=c1nc(-c2csc(-c3ccccn3)n2)[n-]c2sc3c(c21)CCCC3 ZINC000097512853 1080036499 /nfs/dbraw/zinc/03/64/99/1080036499.db2.gz FMBPBRHNWZUOMI-UHFFFAOYSA-N -1 3 366.471 4.049 20 0 FIADHM O=c1[n-]c(CN2CC[C@](F)(c3ccccc3)C2)nc2c3ccccc3oc21 ZINC000579862779 1080191688 /nfs/dbraw/zinc/19/16/88/1080191688.db2.gz HIXMGWJPVGUVBO-OAQYLSRUSA-N -1 3 363.392 4.152 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2C)c(C)c1 ZINC000007417120 1080453290 /nfs/dbraw/zinc/45/32/90/1080453290.db2.gz NXZMFLUXHKEWBY-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM Cc1cccc2sc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c(Cl)c21 ZINC000020501717 1081201325 /nfs/dbraw/zinc/20/13/25/1081201325.db2.gz DWHYNVBHNXKNPV-UHFFFAOYSA-N -1 3 369.837 4.296 20 0 FIADHM Cc1cccc2sc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c(Cl)c21 ZINC000020501717 1081201328 /nfs/dbraw/zinc/20/13/28/1081201328.db2.gz DWHYNVBHNXKNPV-UHFFFAOYSA-N -1 3 369.837 4.296 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001648829036 1081266618 /nfs/dbraw/zinc/26/66/18/1081266618.db2.gz HGQBZFYXGVDTKO-JCNLHEQBSA-N -1 3 357.425 4.386 20 0 FIADHM Cc1ncn(CCCCc2noc(-c3ccc4ccccc4c3[O-])n2)c1C ZINC000656037381 1081487904 /nfs/dbraw/zinc/48/79/04/1081487904.db2.gz CLJRMCKMOKRBQT-UHFFFAOYSA-N -1 3 362.433 4.432 20 0 FIADHM Fc1ccccc1[N-]c1nnc(SCc2nccn2C(F)F)s1 ZINC000078264599 1081902803 /nfs/dbraw/zinc/90/28/03/1081902803.db2.gz LQZVNXMSKGQCHN-UHFFFAOYSA-N -1 3 357.386 4.305 20 0 FIADHM COc1cc(C(=O)Nc2c([O-])cccc2Cl)sc1Br ZINC000580415316 1081939406 /nfs/dbraw/zinc/93/94/06/1081939406.db2.gz VRVBZAWZKSOPQH-UHFFFAOYSA-N -1 3 362.632 4.131 20 0 FIADHM CCc1ncc(S(=O)(=O)[N-][C@H](CC2CCCC2)c2ccccc2)s1 ZINC001211132597 1081988528 /nfs/dbraw/zinc/98/85/28/1081988528.db2.gz PGQIEIDEEATHEW-MRXNPFEDSA-N -1 3 364.536 4.305 20 0 FIADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)c1cccc(Cl)c1 ZINC000077251888 1082030164 /nfs/dbraw/zinc/03/01/64/1082030164.db2.gz DMWGDAAWBBCBPF-UHFFFAOYSA-N -1 3 354.818 4.217 20 0 FIADHM Cc1occc1[N-]c1nc2cc(C(F)(F)F)c(Br)cn2n1 ZINC001211238678 1082050235 /nfs/dbraw/zinc/05/02/35/1082050235.db2.gz CXBVLODDHWYDJQ-UHFFFAOYSA-N -1 3 361.121 4.156 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000581223578 1082386470 /nfs/dbraw/zinc/38/64/70/1082386470.db2.gz SPZDOOIQNBYQEM-HSZRJFAPSA-N -1 3 359.425 4.155 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000581255780 1082412313 /nfs/dbraw/zinc/41/23/13/1082412313.db2.gz IIQOABPKLBEESQ-PXAZEXFGSA-N -1 3 351.780 4.233 20 0 FIADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000188279361 1082434731 /nfs/dbraw/zinc/43/47/31/1082434731.db2.gz AELIJICTNCGEDB-NTCAYCPXSA-N -1 3 352.821 4.148 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCSC2(CCC2)CC1 ZINC000581381567 1082506833 /nfs/dbraw/zinc/50/68/33/1082506833.db2.gz MPSCYCGLZIMOJW-AWEZNQCLSA-N -1 3 360.306 4.481 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1cnc2ccccc2c1 ZINC000558685255 1082634040 /nfs/dbraw/zinc/63/40/40/1082634040.db2.gz RUCHWNABFDPADM-UHFFFAOYSA-N -1 3 353.230 4.342 20 0 FIADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(SC)ccc1Cl)C1CCCC1 ZINC000656633536 1082648866 /nfs/dbraw/zinc/64/88/66/1082648866.db2.gz IZFASSNMOSJPKG-HNNXBMFYSA-N -1 3 363.932 4.009 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(Nc3ccccc3)n2)[C@H]2CCCC[C@H]12 ZINC000656762475 1082756081 /nfs/dbraw/zinc/75/60/81/1082756081.db2.gz BCCDGKAWOSNOGU-KURKYZTESA-N -1 3 371.506 4.352 20 0 FIADHM CC(C)CCc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1 ZINC000656769213 1082760783 /nfs/dbraw/zinc/76/07/83/1082760783.db2.gz YUOJGBMXQWDFKY-YESZJQIVSA-N -1 3 350.528 4.197 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)cc2)n1 ZINC000624622321 1082854047 /nfs/dbraw/zinc/85/40/47/1082854047.db2.gz WFDIRGMALJPCDB-RTBURBONSA-N -1 3 373.456 4.268 20 0 FIADHM CC[C@H](C)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nc2ccccc2[nH]1 ZINC000581755300 1082869918 /nfs/dbraw/zinc/86/99/18/1082869918.db2.gz FRVLFFTUPGWGCT-GTNSWQLSSA-N -1 3 357.841 4.439 20 0 FIADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000581846480 1082925113 /nfs/dbraw/zinc/92/51/13/1082925113.db2.gz UDWKSQDPIFGOGW-UHFFFAOYSA-N -1 3 358.385 4.384 20 0 FIADHM CCO[C@@H]1C[C@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1(CC)CC ZINC000564462065 1082952411 /nfs/dbraw/zinc/95/24/11/1082952411.db2.gz MGDJNLJJSHYMFE-DLBZAZTESA-N -1 3 353.890 4.454 20 0 FIADHM Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc([O-])ccc1Cl ZINC000581974139 1083123093 /nfs/dbraw/zinc/12/30/93/1083123093.db2.gz TZJLRLAMOLDYJY-UHFFFAOYSA-N -1 3 358.850 4.408 20 0 FIADHM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccccc2[O-])C3)cs1 ZINC000089359317 1083245765 /nfs/dbraw/zinc/24/57/65/1083245765.db2.gz NLUMGKYDGXFCSV-UHFFFAOYSA-N -1 3 356.472 4.084 20 0 FIADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1cc([O-])ccc1Cl ZINC000510799827 1083317122 /nfs/dbraw/zinc/31/71/22/1083317122.db2.gz XBVNWSFUBFJWHR-MWLCHTKSSA-N -1 3 372.671 4.156 20 0 FIADHM COc1cccc(-c2nc(-c3cc(F)cc(Br)c3)no2)c1[O-] ZINC000317692439 1083337085 /nfs/dbraw/zinc/33/70/85/1083337085.db2.gz JNSFLUYFASLLDZ-UHFFFAOYSA-N -1 3 365.158 4.019 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1Br ZINC000132487668 1083405254 /nfs/dbraw/zinc/40/52/54/1083405254.db2.gz DUSKNXTTYRDPQR-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM [O-]c1ccc(F)c(CNCc2cc(Oc3ccc(F)cc3)ccn2)c1F ZINC000510948956 1083526945 /nfs/dbraw/zinc/52/69/45/1083526945.db2.gz FRPRSXLWZWUKPQ-UHFFFAOYSA-N -1 3 360.335 4.287 20 0 FIADHM COC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000685747309 1083575878 /nfs/dbraw/zinc/57/58/78/1083575878.db2.gz APBBWRBYOTVQQW-HNNXBMFYSA-N -1 3 373.758 4.182 20 0 FIADHM Cc1ccc(-c2csc(NC(=O)c3cc(F)cc4n[n-]nc43)n2)c(C)c1 ZINC000431630066 1083576874 /nfs/dbraw/zinc/57/68/74/1083576874.db2.gz HGIFGXIJMIITQC-UHFFFAOYSA-N -1 3 367.409 4.090 20 0 FIADHM O=C(/C=C/SCc1ccco1)Nc1cc(Br)ccc1[O-] ZINC000179653760 1083588937 /nfs/dbraw/zinc/58/89/37/1083588937.db2.gz HPIDQWVBZVTUOD-FNORWQNLSA-N -1 3 354.225 4.133 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCCCCC(=O)[O-] ZINC000277005909 1083706955 /nfs/dbraw/zinc/70/69/55/1083706955.db2.gz LZTYAVQGLRECRR-UHFFFAOYSA-N -1 3 370.280 4.222 20 0 FIADHM CCOc1c(Cl)cc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1OC ZINC000277035447 1083724526 /nfs/dbraw/zinc/72/45/26/1083724526.db2.gz QEHBXVCNNILVCQ-CQSZACIVSA-N -1 3 369.870 4.114 20 0 FIADHM COc1ccc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)c([O-])c1 ZINC000612574299 1083917935 /nfs/dbraw/zinc/91/79/35/1083917935.db2.gz BZSMGQTUFSKZLA-UHFFFAOYSA-N -1 3 369.461 4.208 20 0 FIADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582011454 1083946847 /nfs/dbraw/zinc/94/68/47/1083946847.db2.gz DEXDTLQWMGGAAM-UHFFFAOYSA-N -1 3 353.422 4.023 20 0 FIADHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc(Oc2ccccc2)o1 ZINC000177574296 1084100912 /nfs/dbraw/zinc/10/09/12/1084100912.db2.gz VHXIRZSUNSZSKH-UHFFFAOYSA-N -1 3 362.341 4.169 20 0 FIADHM Cc1ccc(C[C@@H](CNCc2csc(-c3cccs3)n2)C(=O)[O-])cc1 ZINC000277289099 1084160885 /nfs/dbraw/zinc/16/08/85/1084160885.db2.gz MIQFGNNNWIUUEQ-HNNXBMFYSA-N -1 3 372.515 4.213 20 0 FIADHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc(C(C)(C)C)cs2)c1F ZINC000326786417 1084272284 /nfs/dbraw/zinc/27/22/84/1084272284.db2.gz WBMKLAIFQAVQJZ-UHFFFAOYSA-N -1 3 355.366 4.188 20 0 FIADHM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc([O-])ccc1Cl ZINC000431739761 1084354014 /nfs/dbraw/zinc/35/40/14/1084354014.db2.gz FADGXSVPSGRREV-UHFFFAOYSA-N -1 3 372.783 4.302 20 0 FIADHM Cc1c([O-])ccc2c(CNc3cccc(N4CCCCC4)c3)cc(=O)oc12 ZINC000066389949 1084422057 /nfs/dbraw/zinc/42/20/57/1084422057.db2.gz IJAFYPXMIDGYHJ-UHFFFAOYSA-N -1 3 364.445 4.409 20 0 FIADHM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc21 ZINC000613177886 1084426716 /nfs/dbraw/zinc/42/67/16/1084426716.db2.gz SOPVNNOFDFCTMY-UHFFFAOYSA-N -1 3 372.396 4.411 20 0 FIADHM CO[C@H](C)c1nc(COC(=O)c2cccc3[n-]c(C(F)F)nc32)cs1 ZINC000924080163 1084429515 /nfs/dbraw/zinc/42/95/15/1084429515.db2.gz KBOJPGWWQJYWHM-MRVPVSSYSA-N -1 3 367.377 4.021 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C)(c3nc4ccccc4s3)CC2)n1 ZINC000511072451 1084609089 /nfs/dbraw/zinc/60/90/89/1084609089.db2.gz LAXHMAXCYYZZNR-AWEZNQCLSA-N -1 3 368.506 4.215 20 0 FIADHM COc1ccc(CNCc2c(F)ccc([O-])c2F)c(OC2CCCC2)c1 ZINC000511488574 1084634847 /nfs/dbraw/zinc/63/48/47/1084634847.db2.gz OVSHNRBBWAOQPQ-UHFFFAOYSA-N -1 3 363.404 4.290 20 0 FIADHM Cc1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c(C(F)(F)F)o1 ZINC000472543976 1084764688 /nfs/dbraw/zinc/76/46/88/1084764688.db2.gz DHRDIUQMQOQCKE-UHFFFAOYSA-N -1 3 353.325 4.378 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c(C)c1 ZINC000024432073 1084913623 /nfs/dbraw/zinc/91/36/23/1084913623.db2.gz KPIBEVHNCBJYER-UHFFFAOYSA-N -1 3 374.506 4.397 20 0 FIADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1cc(F)ccc1[O-] ZINC000536220577 1084965521 /nfs/dbraw/zinc/96/55/21/1084965521.db2.gz MBSGGDJWJQIISB-ZDUSSCGKSA-N -1 3 366.392 4.328 20 0 FIADHM O=C([N-][C@@H](c1ccccc1)[C@@H]1CCCO1)C(F)(F)c1cc(F)cc(F)c1 ZINC001125596592 1084966072 /nfs/dbraw/zinc/96/60/72/1084966072.db2.gz HQRLCQBFEOWHDK-IRXDYDNUSA-N -1 3 367.342 4.093 20 0 FIADHM O=C([N-][C@@H](c1ccccc1)[C@H]1CCCO1)C(F)(F)c1cc(F)cc(F)c1 ZINC001125596593 1084967077 /nfs/dbraw/zinc/96/70/77/1084967077.db2.gz HQRLCQBFEOWHDK-SJORKVTESA-N -1 3 367.342 4.093 20 0 FIADHM O=C([N-][C@H](c1ccccc1)c1cccnc1)C(F)(F)c1ccc(F)cc1 ZINC000728493194 1085051507 /nfs/dbraw/zinc/05/15/07/1085051507.db2.gz YYFNEYMFFMOQLT-GOSISDBHSA-N -1 3 356.347 4.218 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)s1 ZINC000134274815 1085069532 /nfs/dbraw/zinc/06/95/32/1085069532.db2.gz PDIPVRBKBZYGSL-UHFFFAOYSA-N -1 3 350.856 4.130 20 0 FIADHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cc([O-])ccc1Cl ZINC000277745062 1085244137 /nfs/dbraw/zinc/24/41/37/1085244137.db2.gz RFFIOFJRVNZLSO-CQSZACIVSA-N -1 3 361.825 4.246 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CC)c3ccccc3)c2)n1 ZINC000049304479 1085509137 /nfs/dbraw/zinc/50/91/37/1085509137.db2.gz DUTFGYNJSRZJJM-LJQANCHMSA-N -1 3 361.445 4.132 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1C(F)(F)F ZINC000473122701 1085690228 /nfs/dbraw/zinc/69/02/28/1085690228.db2.gz WNPOZPBWVKEHPY-UHFFFAOYSA-N -1 3 350.218 4.077 20 0 FIADHM Cc1ccc(OCCCCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468896328 1085695903 /nfs/dbraw/zinc/69/59/03/1085695903.db2.gz IACDXWKRUJYFSB-UHFFFAOYSA-N -1 3 359.441 4.138 20 0 FIADHM O=C([N-][C@H]1CCCc2occc21)C(F)(F)c1ccc(Br)cc1 ZINC001126170895 1085936281 /nfs/dbraw/zinc/93/62/81/1085936281.db2.gz KLNBYYUMQSINRL-ZDUSSCGKSA-N -1 3 370.193 4.328 20 0 FIADHM Cc1sc(C(=O)[O-])cc1CN(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000652445176 1086059812 /nfs/dbraw/zinc/05/98/12/1086059812.db2.gz ITCOOCYKZNLODN-UHFFFAOYSA-N -1 3 373.396 4.284 20 0 FIADHM CC(=CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000052147153 1086344412 /nfs/dbraw/zinc/34/44/12/1086344412.db2.gz VACDBUBQEZAHOL-BSYHEUMXSA-N -1 3 368.458 4.309 20 0 FIADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1F ZINC000663262974 1086346606 /nfs/dbraw/zinc/34/66/06/1086346606.db2.gz WKJQXQUNRSNPOQ-MRXNPFEDSA-N -1 3 371.330 4.159 20 0 FIADHM CN1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093864 1086669948 /nfs/dbraw/zinc/66/99/48/1086669948.db2.gz ILIBOFDAXQQOHA-MRXNPFEDSA-N -1 3 367.474 4.092 20 0 FIADHM [O-]c1ccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)cc1F ZINC000893631034 1086703428 /nfs/dbraw/zinc/70/34/28/1086703428.db2.gz NLSDMTFONDIIMO-UHFFFAOYSA-N -1 3 366.440 4.052 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000133099460 1087121572 /nfs/dbraw/zinc/12/15/72/1087121572.db2.gz YMYPYJJFHQGIAE-NWDGAFQWSA-N -1 3 354.208 4.258 20 0 FIADHM O=c1[n-]c(CSc2nnc(C3CC3)s2)nc2c3ccccc3oc21 ZINC000080618082 1087125978 /nfs/dbraw/zinc/12/59/78/1087125978.db2.gz LBOMNRAYMXYEKH-UHFFFAOYSA-N -1 3 356.432 4.103 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1occc1-c1ccccc1 ZINC000151622995 1087179370 /nfs/dbraw/zinc/17/93/70/1087179370.db2.gz LGOQFDWHKXWDKO-UHFFFAOYSA-N -1 3 372.218 4.345 20 0 FIADHM CCN(CCc1nccs1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000565107229 1087195191 /nfs/dbraw/zinc/19/51/91/1087195191.db2.gz ULJZEQDYZFZRJV-AWEZNQCLSA-N -1 3 359.278 4.140 20 0 FIADHM CCN(CCc1nccs1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000565107243 1087195426 /nfs/dbraw/zinc/19/54/26/1087195426.db2.gz ULJZEQDYZFZRJV-CQSZACIVSA-N -1 3 359.278 4.140 20 0 FIADHM CCc1ccc(-c2nc(Cc3nc4cc(F)ccc4s3)no2)c([O-])c1 ZINC000685299029 1087364468 /nfs/dbraw/zinc/36/44/68/1087364468.db2.gz MZGVBPSEPCBUKI-UHFFFAOYSA-N -1 3 355.394 4.344 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000091309575 1087427688 /nfs/dbraw/zinc/42/76/88/1087427688.db2.gz MTNANZVWRCJMHQ-UHFFFAOYSA-N -1 3 365.351 4.136 20 0 FIADHM CCc1cccc(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1[O-] ZINC000092763849 1087447742 /nfs/dbraw/zinc/44/77/42/1087447742.db2.gz AHLCAYNDHRPQAO-UHFFFAOYSA-N -1 3 351.402 4.096 20 0 FIADHM CCc1cccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1[O-] ZINC000094127601 1087464871 /nfs/dbraw/zinc/46/48/71/1087464871.db2.gz VSVNVMOSVQUZRR-UHFFFAOYSA-N -1 3 374.868 4.341 20 0 FIADHM O=c1[n-]c(CN(C2CC2)[C@@H]2CCc3ccccc32)nc2c3ccccc3oc21 ZINC000138788680 1087472728 /nfs/dbraw/zinc/47/27/28/1087472728.db2.gz WQKOXQACJKAXLP-GOSISDBHSA-N -1 3 371.440 4.321 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2csc(-c3ccccc3F)n2)s1 ZINC000144836303 1087491499 /nfs/dbraw/zinc/49/14/99/1087491499.db2.gz JHKFPZDGVGKESJ-UHFFFAOYSA-N -1 3 362.455 4.252 20 0 FIADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(F)c(C)cc2F)n1 ZINC000131696388 1087653420 /nfs/dbraw/zinc/65/34/20/1087653420.db2.gz ZBNREDOOZRBBKT-UHFFFAOYSA-N -1 3 351.403 4.414 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000472347417 1087661371 /nfs/dbraw/zinc/66/13/71/1087661371.db2.gz YDOOHVGOKPBCEW-AWEZNQCLSA-N -1 3 363.435 4.006 20 0 FIADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000424255456 1087875118 /nfs/dbraw/zinc/87/51/18/1087875118.db2.gz HXVUMWKKDOGPQX-GOSISDBHSA-N -1 3 366.461 4.011 20 0 FIADHM COc1cccc(-c2nc(CN3CCCC[C@H]3CCC(=O)[O-])cs2)c1 ZINC000424258784 1087879624 /nfs/dbraw/zinc/87/96/24/1087879624.db2.gz MDLMAVOPHMZBFB-INIZCTEOSA-N -1 3 360.479 4.038 20 0 FIADHM C[C@@H](c1ccc(Cl)cc1)N(CC(=O)[N-]OCc1ccccc1)C1CC1 ZINC001167698839 1087939480 /nfs/dbraw/zinc/93/94/80/1087939480.db2.gz DEYYLKPEVONWJT-HNNXBMFYSA-N -1 3 358.869 4.113 20 0 FIADHM CCCCn1ncc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1C(C)C ZINC000414381723 1088060324 /nfs/dbraw/zinc/06/03/24/1088060324.db2.gz MNVRVSPGBBGUBC-FUHWJXTLSA-N -1 3 361.511 4.104 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([O-])c1 ZINC000025022303 1088185125 /nfs/dbraw/zinc/18/51/25/1088185125.db2.gz SXXKQHNIPULHGO-CQSZACIVSA-N -1 3 352.459 4.330 20 0 FIADHM CC(C)Oc1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000613578176 1088617955 /nfs/dbraw/zinc/61/79/55/1088617955.db2.gz BJIAJUOJJDTQAX-UHFFFAOYSA-N -1 3 353.462 4.274 20 0 FIADHM C[C@@H](Oc1ccccc1NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000188022196 1088625055 /nfs/dbraw/zinc/62/50/55/1088625055.db2.gz OKFNUQLPRGHKGU-CQSZACIVSA-N -1 3 358.401 4.350 20 0 FIADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1 ZINC000031721646 1088695248 /nfs/dbraw/zinc/69/52/48/1088695248.db2.gz JJSMLKCXPXNMOZ-UHFFFAOYSA-N -1 3 369.417 4.496 20 0 FIADHM Cn1ccc2ccc(-c3noc(C=C([O-])c4ccccc4Cl)n3)cc21 ZINC001211647501 1088770266 /nfs/dbraw/zinc/77/02/66/1088770266.db2.gz SHEQYOKFXPBSLI-UHFFFAOYSA-N -1 3 351.793 4.307 20 0 FIADHM C[C@@H](CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nccs1 ZINC000182487062 1088918842 /nfs/dbraw/zinc/91/88/42/1088918842.db2.gz FJTNROOBFKVPBB-HNNXBMFYSA-N -1 3 366.486 4.315 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(OCc3ccccc3)c2)o1 ZINC000434759970 1089027035 /nfs/dbraw/zinc/02/70/35/1089027035.db2.gz VOANBSHDTXVLOM-MRXNPFEDSA-N -1 3 371.458 4.207 20 0 FIADHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000462710215 1089415551 /nfs/dbraw/zinc/41/55/51/1089415551.db2.gz YGZAJZRCEFDZMB-SNVBAGLBSA-N -1 3 362.278 4.194 20 0 FIADHM O=C(CCOc1ccccc1Cl)Nc1ccc(Br)cc1[O-] ZINC000514820584 1089498776 /nfs/dbraw/zinc/49/87/76/1089498776.db2.gz QHLSAVRZPJWGED-UHFFFAOYSA-N -1 3 370.630 4.216 20 0 FIADHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431844968 1089500079 /nfs/dbraw/zinc/50/00/79/1089500079.db2.gz NGQYTUJILSGHDT-BEFAXECRSA-N -1 3 359.853 4.252 20 0 FIADHM Cc1cccc(OCCCC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000515205963 1089888661 /nfs/dbraw/zinc/88/86/61/1089888661.db2.gz YBEJYNKLFZAOMY-UHFFFAOYSA-N -1 3 364.239 4.261 20 0 FIADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc2sccc2s1 ZINC000783094905 1090242302 /nfs/dbraw/zinc/24/23/02/1090242302.db2.gz UIGOVUVDSINXKL-UHFFFAOYSA-N -1 3 358.400 4.075 20 0 FIADHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccc[nH]4)cs3)on2)cc1 ZINC000041784876 1090267382 /nfs/dbraw/zinc/26/73/82/1090267382.db2.gz LBYJEKZCPSYRNE-UHFFFAOYSA-N -1 3 350.403 4.354 20 0 FIADHM COc1ccc(N[C@@H]2CC[C@H](C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000182731185 1090370675 /nfs/dbraw/zinc/37/06/75/1090370675.db2.gz PZLAHJJZPAXMPM-SUMWQHHRSA-N -1 3 360.479 4.117 20 0 FIADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)CCCC2 ZINC000182865112 1090377788 /nfs/dbraw/zinc/37/77/88/1090377788.db2.gz PZWLCHBMLVQARO-UHFFFAOYSA-N -1 3 371.384 4.294 20 0 FIADHM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC000431912182 1090597571 /nfs/dbraw/zinc/59/75/71/1090597571.db2.gz LUOUMMUSOBGFBX-CYBMUJFWSA-N -1 3 351.324 4.088 20 0 FIADHM O=c1cc(CNc2ccc(F)cc2OCCC(F)(F)F)nc(C2CC2)[n-]1 ZINC000417031706 1090637302 /nfs/dbraw/zinc/63/73/02/1090637302.db2.gz PQNIPQXUIJSYMC-UHFFFAOYSA-N -1 3 371.334 4.142 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1C[C@]12CCOC2 ZINC000364084698 1090826614 /nfs/dbraw/zinc/82/66/14/1090826614.db2.gz BFTRQTANAXJYLA-XOBRGWDASA-N -1 3 366.442 4.034 20 0 FIADHM CC(C)c1cnc(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])s1 ZINC000417557280 1090925169 /nfs/dbraw/zinc/92/51/69/1090925169.db2.gz BAHWPIMQGNVJCM-ZDUSSCGKSA-N -1 3 373.305 4.359 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(C2CC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000417564705 1090928329 /nfs/dbraw/zinc/92/83/29/1090928329.db2.gz OXKVYBODJVFGSF-NRFANRHFSA-N -1 3 361.445 4.055 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(C2CC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000417564706 1090928397 /nfs/dbraw/zinc/92/83/97/1090928397.db2.gz OXKVYBODJVFGSF-OAQYLSRUSA-N -1 3 361.445 4.055 20 0 FIADHM O=C([O-])CC[C@H](NCc1csc(Br)c1)c1ccccc1 ZINC000417603481 1090936564 /nfs/dbraw/zinc/93/65/64/1090936564.db2.gz RJLXDCIYVXEDNI-ZDUSSCGKSA-N -1 3 354.269 4.206 20 0 FIADHM COc1ccc(-c2ccccc2)cc1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417626390 1090948124 /nfs/dbraw/zinc/94/81/24/1090948124.db2.gz MZEGBFLLUXPWEZ-INIZCTEOSA-N -1 3 367.367 4.105 20 0 FIADHM CCc1ccc(-c2ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)o2)cc1 ZINC000417627829 1090948723 /nfs/dbraw/zinc/94/87/23/1090948723.db2.gz ONCQIRIHDGSGSL-CQSZACIVSA-N -1 3 355.356 4.252 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(F)(F)F ZINC000500333368 1091306865 /nfs/dbraw/zinc/30/68/65/1091306865.db2.gz TZFRMDGPODHDFE-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM [O-]c1ccc(F)c(CNc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1F ZINC000511754860 1091619442 /nfs/dbraw/zinc/61/94/42/1091619442.db2.gz JUZRZEXFXAOAHP-UHFFFAOYSA-N -1 3 369.293 4.487 20 0 FIADHM COc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000511821377 1091747475 /nfs/dbraw/zinc/74/74/75/1091747475.db2.gz BEHMKYDYYSHFRZ-UHFFFAOYSA-N -1 3 361.397 4.193 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000606669781 1091799869 /nfs/dbraw/zinc/79/98/69/1091799869.db2.gz GYMDEEQQLCBRID-HKUYNNGSSA-N -1 3 356.441 4.132 20 0 FIADHM COC(=O)c1cnc(SCCCCOc2ccccc2C(F)(F)F)[n-]1 ZINC000432664840 1092040567 /nfs/dbraw/zinc/04/05/67/1092040567.db2.gz BSEWAAMRQDPGAH-UHFFFAOYSA-N -1 3 374.384 4.166 20 0 FIADHM O=c1ccnc(C(=Cc2nccn2-c2ccccc2)Cc2ccccc2)[n-]1 ZINC000432708680 1092158757 /nfs/dbraw/zinc/15/87/57/1092158757.db2.gz NKBXTHJQLIEQQW-VLGSPTGOSA-N -1 3 354.413 4.151 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c(C)c1 ZINC000432765949 1092291034 /nfs/dbraw/zinc/29/10/34/1092291034.db2.gz ADJBOPQRXCJFGN-UHFFFAOYSA-N -1 3 363.479 4.245 20 0 FIADHM O=C(NCC1(CCOCc2ccccc2)CC1)c1cc([O-])ccc1Cl ZINC000500707871 1092401488 /nfs/dbraw/zinc/40/14/88/1092401488.db2.gz ZRQLRVCCZWUOCI-UHFFFAOYSA-N -1 3 359.853 4.163 20 0 FIADHM COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC001143531567 1092460044 /nfs/dbraw/zinc/46/00/44/1092460044.db2.gz FWSMAWCXEOZXIL-UHFFFAOYSA-N -1 3 372.421 4.309 20 0 FIADHM Clc1cc2nc([N-][C@H](c3nc[nH]n3)c3ccccc3)oc2c(Cl)c1 ZINC000432833570 1092580504 /nfs/dbraw/zinc/58/05/04/1092580504.db2.gz DLPPOZJPEHIQNK-ZDUSSCGKSA-N -1 3 360.204 4.454 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ncccc1Cl ZINC000432871845 1092652169 /nfs/dbraw/zinc/65/21/69/1092652169.db2.gz MXVBZULIPYRVRC-UHFFFAOYSA-N -1 3 351.218 4.159 20 0 FIADHM COc1ccc2occ(C(=O)Nc3cc(Br)ccc3[O-])c2c1 ZINC000442568514 1092672289 /nfs/dbraw/zinc/67/22/89/1092672289.db2.gz OYQZEAUUJXDXEJ-UHFFFAOYSA-N -1 3 362.179 4.162 20 0 FIADHM O=C([N-]c1csc(-c2ccncc2)n1)c1c(F)c(F)cc(F)c1F ZINC000549727900 1092724354 /nfs/dbraw/zinc/72/43/54/1092724354.db2.gz HAPQQEHHPDXHND-UHFFFAOYSA-N -1 3 353.300 4.014 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)ccc1F ZINC000521539933 1092752854 /nfs/dbraw/zinc/75/28/54/1092752854.db2.gz XMTFMAQDNOCWGI-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)c([O-])c1 ZINC000534093312 1092756495 /nfs/dbraw/zinc/75/64/95/1092756495.db2.gz JFMXIGCLJQYDLO-UHFFFAOYSA-N -1 3 354.189 4.128 20 0 FIADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)Nc1ccccc1Cl ZINC000614115181 1092948354 /nfs/dbraw/zinc/94/83/54/1092948354.db2.gz LCYLSHFSUVXAFE-UHFFFAOYSA-N -1 3 369.833 4.385 20 0 FIADHM C[C@@]1(c2ccccc2)CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000521886792 1092959688 /nfs/dbraw/zinc/95/96/88/1092959688.db2.gz LSVVFDHMDPEDHZ-LJQANCHMSA-N -1 3 374.278 4.311 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000191179919 1093091049 /nfs/dbraw/zinc/09/10/49/1093091049.db2.gz RIEBGWUZEYLOKD-UHFFFAOYSA-N -1 3 374.245 4.005 20 0 FIADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000443414145 1093109843 /nfs/dbraw/zinc/10/98/43/1093109843.db2.gz OLVXGFZBJXRCDI-UHFFFAOYSA-N -1 3 363.332 4.044 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1[O-] ZINC000729536402 1093178512 /nfs/dbraw/zinc/17/85/12/1093178512.db2.gz XZPQHHFFOPHOSR-UHFFFAOYSA-N -1 3 358.394 4.000 20 0 FIADHM CCCOc1ccc(-c2nc(C(=O)[N-]c3c(C)noc3C)cs2)cc1 ZINC000522219274 1093220320 /nfs/dbraw/zinc/22/03/20/1093220320.db2.gz ULJLSUOXHKJMBC-UHFFFAOYSA-N -1 3 357.435 4.456 20 0 FIADHM C[C@H](C[N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(F)cc1F ZINC001126548123 1093339107 /nfs/dbraw/zinc/33/91/07/1093339107.db2.gz ZJBIFGLLJPHNJV-SECBINFHSA-N -1 3 361.285 4.255 20 0 FIADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000029046665 1093450400 /nfs/dbraw/zinc/45/04/00/1093450400.db2.gz KOPFKXMYHLYSLY-UHFFFAOYSA-N -1 3 371.405 4.124 20 0 FIADHM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000433227388 1093450387 /nfs/dbraw/zinc/45/03/87/1093450387.db2.gz RKBONKIRSKEYNO-UHFFFAOYSA-N -1 3 358.747 4.383 20 0 FIADHM COc1cccc2c1CCCN2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000433305674 1093560381 /nfs/dbraw/zinc/56/03/81/1093560381.db2.gz OKZGXLLCMQSSTJ-UHFFFAOYSA-N -1 3 361.401 4.043 20 0 FIADHM O=C(Nc1cccc(CNCc2c(F)ccc([O-])c2F)c1)c1ccccc1 ZINC000509893944 1093692167 /nfs/dbraw/zinc/69/21/67/1093692167.db2.gz MVJWRWXMDKCQPX-UHFFFAOYSA-N -1 3 368.383 4.213 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)s1 ZINC000096948814 1093756895 /nfs/dbraw/zinc/75/68/95/1093756895.db2.gz ZLETYXYKRVWBPH-UHFFFAOYSA-N -1 3 362.455 4.396 20 0 FIADHM C[C@H]1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@@H](c2ccco2)C1 ZINC000895889732 1093762203 /nfs/dbraw/zinc/76/22/03/1093762203.db2.gz SFABHSGZFJQOEN-APPDUMDISA-N -1 3 372.371 4.013 20 0 FIADHM O=S(=O)([N-][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1)c1ccco1 ZINC001211829811 1093877822 /nfs/dbraw/zinc/87/78/22/1093877822.db2.gz SQOXOPKOIOPQDG-HOTGVXAUSA-N -1 3 353.871 4.328 20 0 FIADHM O=C(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1cc2ccsc2[n-]1 ZINC000729221491 1093946565 /nfs/dbraw/zinc/94/65/65/1093946565.db2.gz LMFOTJCXJBKIMB-UHFFFAOYSA-N -1 3 351.387 4.376 20 0 FIADHM C[C@H]1CCCCN1C(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000513251820 1094037327 /nfs/dbraw/zinc/03/73/27/1094037327.db2.gz FBKKMGWAGAWHDF-ZDUSSCGKSA-N -1 3 360.404 4.297 20 0 FIADHM O=S(=O)([N-]CCCC(F)(F)F)c1cc2cc(Cl)ccc2s1 ZINC000433670646 1094045121 /nfs/dbraw/zinc/04/51/21/1094045121.db2.gz CBFQHLIBZXNKJO-UHFFFAOYSA-N -1 3 357.806 4.176 20 0 FIADHM CCOc1cc(CNc2ccc3c(c2)NC(=O)CS3)cc(Cl)c1[O-] ZINC000513609627 1094235270 /nfs/dbraw/zinc/23/52/70/1094235270.db2.gz VBSMRZGEYXAIMN-UHFFFAOYSA-N -1 3 364.854 4.101 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000501059764 1094470662 /nfs/dbraw/zinc/47/06/62/1094470662.db2.gz XBHASTORAXGVIF-INIZCTEOSA-N -1 3 370.207 4.052 20 0 FIADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001141902476 1094773128 /nfs/dbraw/zinc/77/31/28/1094773128.db2.gz OGMXBMIAEYIULK-MRXNPFEDSA-N -1 3 355.825 4.289 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1[O-] ZINC000216553594 1094787939 /nfs/dbraw/zinc/78/79/39/1094787939.db2.gz XMKOBGPGRZJBRH-UHFFFAOYSA-N -1 3 359.385 4.196 20 0 FIADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000474872121 1094806356 /nfs/dbraw/zinc/80/63/56/1094806356.db2.gz IMXZWKFJNYBWRN-KBPBESRZSA-N -1 3 368.864 4.446 20 0 FIADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000474910237 1094912205 /nfs/dbraw/zinc/91/22/05/1094912205.db2.gz NXHZTEQJULZSNC-UHFFFAOYSA-N -1 3 364.445 4.404 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000501809978 1094927631 /nfs/dbraw/zinc/92/76/31/1094927631.db2.gz XCQCCHGWIHKBJV-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM COc1ccc([O-])c(-c2nc(C3(c4cc(Cl)ccc4OC)CC3)no2)c1 ZINC000420515179 1094965059 /nfs/dbraw/zinc/96/50/59/1094965059.db2.gz QTWJHXDBMYXFGS-UHFFFAOYSA-N -1 3 372.808 4.193 20 0 FIADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000421144938 1095385649 /nfs/dbraw/zinc/38/56/49/1095385649.db2.gz CDCISQFVFMMBJI-SNVBAGLBSA-N -1 3 355.834 4.080 20 0 FIADHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](c1ccc(F)cc1F)C1CC1 ZINC001126569665 1095388395 /nfs/dbraw/zinc/38/83/95/1095388395.db2.gz RVUCOCQXGLWVJA-QGZVFWFLSA-N -1 3 367.342 4.333 20 0 FIADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)c1 ZINC000444253552 1095908226 /nfs/dbraw/zinc/90/82/26/1095908226.db2.gz ZPDBYXGZDZQAFD-UHFFFAOYSA-N -1 3 365.360 4.023 20 0 FIADHM CN(CCCC(=O)[O-])Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000414641261 1096297001 /nfs/dbraw/zinc/29/70/01/1096297001.db2.gz TVPMIVBZNZYVGQ-UHFFFAOYSA-N -1 3 363.889 4.120 20 0 FIADHM O=C([O-])CCCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414675340 1096428837 /nfs/dbraw/zinc/42/88/37/1096428837.db2.gz GAWGPBOQXTVNTK-UHFFFAOYSA-N -1 3 358.385 4.173 20 0 FIADHM Cc1cnc(F)c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC001269506480 1096680524 /nfs/dbraw/zinc/68/05/24/1096680524.db2.gz OUQALPBJASGCTP-UHFFFAOYSA-N -1 3 366.780 4.092 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(F)c(C)c3)c2)n1 ZINC000504328982 1096749703 /nfs/dbraw/zinc/74/97/03/1096749703.db2.gz MSJRSCAXGBAJJE-UHFFFAOYSA-N -1 3 351.381 4.111 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2COC(C)(C)C)c([O-])c1 ZINC000536886402 1098559062 /nfs/dbraw/zinc/55/90/62/1098559062.db2.gz RBDMODQBHRVJJH-UHFFFAOYSA-N -1 3 371.433 4.136 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000515503388 1098658028 /nfs/dbraw/zinc/65/80/28/1098658028.db2.gz RUXOFLAKAYYCMX-RKDXNWHRSA-N -1 3 366.177 4.462 20 0 FIADHM COCCCn1c(=O)[n-]nc1SCc1ccc(-c2ccsc2)cc1 ZINC000436137609 1098764219 /nfs/dbraw/zinc/76/42/19/1098764219.db2.gz VRUMBCCFWFNDSY-UHFFFAOYSA-N -1 3 361.492 4.041 20 0 FIADHM CC1(c2ccc(Br)cc2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436522294 1099078182 /nfs/dbraw/zinc/07/81/82/1099078182.db2.gz SXWCFPUKYGGVNN-UHFFFAOYSA-N -1 3 374.278 4.349 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c([O-])c1 ZINC000436533264 1099088935 /nfs/dbraw/zinc/08/89/35/1099088935.db2.gz IKLSSVKOCVBRHB-UHFFFAOYSA-N -1 3 352.415 4.267 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c([O-])c1 ZINC000436535940 1099090842 /nfs/dbraw/zinc/09/08/42/1099090842.db2.gz LXSKNEKSTCKLDX-QGZVFWFLSA-N -1 3 369.436 4.390 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000436549362 1099096822 /nfs/dbraw/zinc/09/68/22/1099096822.db2.gz PFHQNRYXHCLNEY-QGZVFWFLSA-N -1 3 367.836 4.413 20 0 FIADHM C[S@@](=O)c1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436552217 1099100227 /nfs/dbraw/zinc/10/02/27/1099100227.db2.gz BHEHXGRYCDASSW-AREMUKBSSA-N -1 3 367.426 4.174 20 0 FIADHM CN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])c2ccccc2C1 ZINC000436562439 1099114913 /nfs/dbraw/zinc/11/49/13/1099114913.db2.gz ANHBMLVTDUYXTE-UHFFFAOYSA-N -1 3 372.468 4.075 20 0 FIADHM CC[C@H](CN(CC)C(=O)c1cc(NC(C)=O)ccc1[O-])c1ccccc1 ZINC000436568444 1099120337 /nfs/dbraw/zinc/12/03/37/1099120337.db2.gz XMIWHDRBIFRETA-MRXNPFEDSA-N -1 3 354.450 4.007 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(OCC2CC2)CC1 ZINC000436573187 1099123920 /nfs/dbraw/zinc/12/39/20/1099123920.db2.gz IKPYGHTYSFOTJO-UHFFFAOYSA-N -1 3 365.473 4.014 20 0 FIADHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436592885 1099124843 /nfs/dbraw/zinc/12/48/43/1099124843.db2.gz AJTXGZZAEYTBAA-LJQANCHMSA-N -1 3 365.473 4.009 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[O-] ZINC000436593491 1099125654 /nfs/dbraw/zinc/12/56/54/1099125654.db2.gz CGJYOMRZHJDTSI-UHFFFAOYSA-N -1 3 374.396 4.099 20 0 FIADHM Cc1nc(C(C)(C)NCc2nc3c4ccccc4oc3c(=O)[n-]2)sc1C ZINC000533523870 1099127559 /nfs/dbraw/zinc/12/75/59/1099127559.db2.gz GNXRLGFJXYQUBM-UHFFFAOYSA-N -1 3 368.462 4.180 20 0 FIADHM CCOCCOCc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC000436591034 1099137162 /nfs/dbraw/zinc/13/71/62/1099137162.db2.gz VGJYCVGVXWRPAK-UHFFFAOYSA-N -1 3 357.450 4.123 20 0 FIADHM Cc1ncncc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436601717 1099139064 /nfs/dbraw/zinc/13/90/64/1099139064.db2.gz DIVWSWURVGHXRT-UHFFFAOYSA-N -1 3 362.414 4.020 20 0 FIADHM C[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)n1cccn1 ZINC000436603546 1099140473 /nfs/dbraw/zinc/14/04/73/1099140473.db2.gz LVIQCJMBRORZAP-LBPRGKRZSA-N -1 3 364.430 4.065 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1[O-] ZINC000436655507 1099179274 /nfs/dbraw/zinc/17/92/74/1099179274.db2.gz IWQVTOGPQNYJDS-AWEZNQCLSA-N -1 3 360.413 4.148 20 0 FIADHM CCc1ccc(C(=O)N(C)CCc2cccc(Br)c2)c([O-])c1 ZINC000436641498 1099183877 /nfs/dbraw/zinc/18/38/77/1099183877.db2.gz NEXSDQOQYWQABJ-UHFFFAOYSA-N -1 3 362.267 4.032 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccccc2SC)[nH][n-]1 ZINC000516111993 1099208504 /nfs/dbraw/zinc/20/85/04/1099208504.db2.gz NMLYRMHJRBBOMM-UHFFFAOYSA-N -1 3 373.865 4.135 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000436678329 1099213373 /nfs/dbraw/zinc/21/33/73/1099213373.db2.gz BHHJWHVVCBKATG-NRFANRHFSA-N -1 3 359.425 4.080 20 0 FIADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1-c1cccc(Cl)c1 ZINC000533618578 1099215000 /nfs/dbraw/zinc/21/50/00/1099215000.db2.gz USDWGVZVUYKQMP-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM COC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCC1 ZINC000436707271 1099239613 /nfs/dbraw/zinc/23/96/13/1099239613.db2.gz FKMXWQADKUJRMI-UHFFFAOYSA-N -1 3 354.431 4.177 20 0 FIADHM Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c([O-])c1 ZINC000436730308 1099268537 /nfs/dbraw/zinc/26/85/37/1099268537.db2.gz FXQVQPDGPBHMMR-UHFFFAOYSA-N -1 3 357.460 4.097 20 0 FIADHM Cn1cccc1[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436757735 1099271218 /nfs/dbraw/zinc/27/12/18/1099271218.db2.gz WNOOZBJMOYNORK-OAQYLSRUSA-N -1 3 360.457 4.299 20 0 FIADHM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436759160 1099273969 /nfs/dbraw/zinc/27/39/69/1099273969.db2.gz UIRZIUABNPGLDR-VIFPVBQESA-N -1 3 352.217 4.164 20 0 FIADHM CC(=O)Nc1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436758838 1099274183 /nfs/dbraw/zinc/27/41/83/1099274183.db2.gz ZTFRZUVFTSDORN-UHFFFAOYSA-N -1 3 362.385 4.395 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000436749518 1099282446 /nfs/dbraw/zinc/28/24/46/1099282446.db2.gz JZFRQLQKLNPWLY-INIZCTEOSA-N -1 3 365.351 4.484 20 0 FIADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436750106 1099283071 /nfs/dbraw/zinc/28/30/71/1099283071.db2.gz VKBAQEVFKJFDSG-UHFFFAOYSA-N -1 3 365.429 4.225 20 0 FIADHM CCC(CC)n1nc(C(=O)Nc2cc(Br)ccc2[O-])cc1C ZINC000436751905 1099286916 /nfs/dbraw/zinc/28/69/16/1099286916.db2.gz OJGVABMMVTVLPU-UHFFFAOYSA-N -1 3 366.259 4.273 20 0 FIADHM O=C(c1ccccc1[O-])N(Cc1cc(Br)ccc1F)C1CC1 ZINC000436763599 1099304251 /nfs/dbraw/zinc/30/42/51/1099304251.db2.gz YGKFSKFRXDSIHI-UHFFFAOYSA-N -1 3 364.214 4.099 20 0 FIADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3[O-])c21 ZINC000436799864 1099313891 /nfs/dbraw/zinc/31/38/91/1099313891.db2.gz QUIKQQLTWPRPJB-UHFFFAOYSA-N -1 3 355.369 4.321 20 0 FIADHM CCC(CC)[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1cccs1 ZINC000436785744 1099316612 /nfs/dbraw/zinc/31/66/12/1099316612.db2.gz GCOZTTHODQKCFD-SFHVURJKSA-N -1 3 360.479 4.319 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@H](C2CCC2)C1 ZINC000436786435 1099319388 /nfs/dbraw/zinc/31/93/88/1099319388.db2.gz SBXDZHVPRUTZOL-QGZVFWFLSA-N -1 3 367.445 4.073 20 0 FIADHM CC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000436788258 1099320455 /nfs/dbraw/zinc/32/04/55/1099320455.db2.gz VXPBCXRCDUDGLH-LEWJYISDSA-N -1 3 365.473 4.013 20 0 FIADHM CC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1[C@H]1CCCO1 ZINC000436788260 1099320522 /nfs/dbraw/zinc/32/05/22/1099320522.db2.gz VXPBCXRCDUDGLH-RTWAWAEBSA-N -1 3 365.473 4.013 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000436815200 1099338497 /nfs/dbraw/zinc/33/84/97/1099338497.db2.gz NMZUDHPRCAVDLT-FQEVSTJZSA-N -1 3 365.473 4.014 20 0 FIADHM CC[C@@H](c1nnc(NC(=O)c2cc(OC)ccc2[O-])s1)c1ccccc1 ZINC000436813693 1099339178 /nfs/dbraw/zinc/33/91/78/1099339178.db2.gz INSMAROPQJNLPU-CQSZACIVSA-N -1 3 369.446 4.047 20 0 FIADHM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436826335 1099354439 /nfs/dbraw/zinc/35/44/39/1099354439.db2.gz KMLVZGFPGOPMRN-UHFFFAOYSA-N -1 3 350.462 4.432 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@H]1c1cc[nH]n1 ZINC000436855713 1099356601 /nfs/dbraw/zinc/35/66/01/1099356601.db2.gz QKOBEJXMXDQLIB-IBGZPJMESA-N -1 3 363.417 4.275 20 0 FIADHM CCc1ccc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)c([O-])c1 ZINC000436847046 1099366308 /nfs/dbraw/zinc/36/63/08/1099366308.db2.gz JHQJNNUTTLRMHM-UHFFFAOYSA-N -1 3 365.364 4.390 20 0 FIADHM O=S(=O)([N-]CC[C@H]1CCc2ccccc21)c1cccc(Cl)c1Cl ZINC001212021010 1099380428 /nfs/dbraw/zinc/38/04/28/1099380428.db2.gz HKIASGBPJRVOHK-CYBMUJFWSA-N -1 3 370.301 4.392 20 0 FIADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1[C@@H](C)C1CC1 ZINC000436868609 1099380798 /nfs/dbraw/zinc/38/07/98/1099380798.db2.gz ANKFTQVXWPGXJR-JTQLQIEISA-N -1 3 353.344 4.139 20 0 FIADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1[C@H](C)C1CC1 ZINC000436868610 1099380887 /nfs/dbraw/zinc/38/08/87/1099380887.db2.gz ANKFTQVXWPGXJR-SNVBAGLBSA-N -1 3 353.344 4.139 20 0 FIADHM CC(C)NC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436875173 1099386041 /nfs/dbraw/zinc/38/60/41/1099386041.db2.gz SQWOPKFRGZSKCY-UHFFFAOYSA-N -1 3 367.449 4.053 20 0 FIADHM CCc1ccc(-c2nc(-c3ccc(OCCCOC)cc3)no2)c([O-])c1 ZINC000436879309 1099393675 /nfs/dbraw/zinc/39/36/75/1099393675.db2.gz WZBGEFPAJCHOAS-UHFFFAOYSA-N -1 3 354.406 4.087 20 0 FIADHM O=C(c1ccccc1[O-])N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000436878036 1099393822 /nfs/dbraw/zinc/39/38/22/1099393822.db2.gz QSOFOZLFCKJLLQ-OAHLLOKOSA-N -1 3 367.392 4.341 20 0 FIADHM Cc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000436893234 1099409875 /nfs/dbraw/zinc/40/98/75/1099409875.db2.gz ORBVJZQYCAGINQ-UHFFFAOYSA-N -1 3 351.406 4.055 20 0 FIADHM Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436907730 1099416950 /nfs/dbraw/zinc/41/69/50/1099416950.db2.gz YNGODIALZIKPEH-OAQYLSRUSA-N -1 3 374.440 4.201 20 0 FIADHM O=C1CCCN1c1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000436899416 1099425031 /nfs/dbraw/zinc/42/50/31/1099425031.db2.gz DCQXGPAGDBLTFU-UHFFFAOYSA-N -1 3 371.396 4.389 20 0 FIADHM Cc1cc([C@@H]2CN(C(=O)c3ccc(C(C)C)cc3[O-])CCO2)ccc1F ZINC000436914744 1099431349 /nfs/dbraw/zinc/43/13/49/1099431349.db2.gz KPYQEQRFAGLNAN-FQEVSTJZSA-N -1 3 357.425 4.177 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)c1[O-] ZINC000436917631 1099432615 /nfs/dbraw/zinc/43/26/15/1099432615.db2.gz ZWMVVGSDOLHPPX-UHFFFAOYSA-N -1 3 361.357 4.305 20 0 FIADHM COc1ccc(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436920151 1099435406 /nfs/dbraw/zinc/43/54/06/1099435406.db2.gz OAPAIUAGTOOYPU-UHFFFAOYSA-N -1 3 359.853 4.248 20 0 FIADHM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(OC(F)F)c(Cl)c1 ZINC000032587600 1099444885 /nfs/dbraw/zinc/44/48/85/1099444885.db2.gz NRYHSFLLNHUQNA-UHFFFAOYSA-N -1 3 373.808 4.231 20 0 FIADHM [O-]c1ccccc1-c1nc(Cc2c[nH]c3ccc(Br)cc23)no1 ZINC000436936908 1099449566 /nfs/dbraw/zinc/44/95/66/1099449566.db2.gz ZXMORWVHSFUFMV-UHFFFAOYSA-N -1 3 370.206 4.277 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cccc(OCC(F)F)n2)no1 ZINC000436960689 1099460882 /nfs/dbraw/zinc/46/08/82/1099460882.db2.gz HUUMECRARQWFBA-UHFFFAOYSA-N -1 3 369.327 4.301 20 0 FIADHM Cc1ccc(-c2nc(-c3cccc(OCCOC(C)(C)C)n3)no2)c([O-])c1 ZINC000436963593 1099462457 /nfs/dbraw/zinc/46/24/57/1099462457.db2.gz ZZRZSCICSPUUSW-UHFFFAOYSA-N -1 3 369.421 4.007 20 0 FIADHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436984394 1099491968 /nfs/dbraw/zinc/49/19/68/1099491968.db2.gz AWQMMLQSTNLSFI-CXAGYDPISA-N -1 3 363.379 4.396 20 0 FIADHM CCCCOc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](SCC)C2)c([O-])c1 ZINC000436986375 1099505329 /nfs/dbraw/zinc/50/53/29/1099505329.db2.gz JLCIECDLVRATHZ-GDBMZVCRSA-N -1 3 351.512 4.317 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2cc(F)c(F)cc2N2CCCCC2)cc1[O-] ZINC000615041760 1099536907 /nfs/dbraw/zinc/53/69/07/1099536907.db2.gz DNOCHYHCFCLJDO-UHFFFAOYSA-N -1 3 374.387 4.116 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000188783099 1099564573 /nfs/dbraw/zinc/56/45/73/1099564573.db2.gz LDACGKHRULIWJW-UHFFFAOYSA-N -1 3 370.478 4.185 20 0 FIADHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000516670228 1099700176 /nfs/dbraw/zinc/70/01/76/1099700176.db2.gz YDNBLSQDOJVVNF-LBPRGKRZSA-N -1 3 355.825 4.031 20 0 FIADHM O=c1cc(CN(CCC(F)(F)F)Cc2ccccc2)nc(C2CC2)[n-]1 ZINC000459424417 1100156365 /nfs/dbraw/zinc/15/63/65/1100156365.db2.gz QRPTWZXTAQMERR-UHFFFAOYSA-N -1 3 351.372 4.014 20 0 FIADHM Cc1ccccc1[C@@H](CC(F)(F)F)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459433716 1100171043 /nfs/dbraw/zinc/17/10/43/1100171043.db2.gz TVFPYSNNQYGJSH-OAHLLOKOSA-N -1 3 351.372 4.151 20 0 FIADHM CCc1cccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c1[O-] ZINC000536685832 1100178093 /nfs/dbraw/zinc/17/80/93/1100178093.db2.gz NHCKYKSCKPYUME-UHFFFAOYSA-N -1 3 360.457 4.235 20 0 FIADHM CCc1cccc2c1OCC[C@@H]2NCc1cccc([O-])c1Br ZINC000459438167 1100192329 /nfs/dbraw/zinc/19/23/29/1100192329.db2.gz ZVLJOMWDGLPSRO-HNNXBMFYSA-N -1 3 362.267 4.331 20 0 FIADHM [O-]c1cccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c1Br ZINC000459467502 1100209790 /nfs/dbraw/zinc/20/97/90/1100209790.db2.gz QHVAOKLAHNZBOU-MAUKXSAKSA-N -1 3 362.267 4.022 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCCOc3ccc(F)cc32)c1Br ZINC000459465099 1100209886 /nfs/dbraw/zinc/20/98/86/1100209886.db2.gz IRJJAWBZDDOWMD-AWEZNQCLSA-N -1 3 366.230 4.297 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)c1[O-] ZINC000517251762 1100227753 /nfs/dbraw/zinc/22/77/53/1100227753.db2.gz IXTICOZZGPSCCD-UHFFFAOYSA-N -1 3 373.206 4.091 20 0 FIADHM COc1cc(-c2nc3c(cccc3Br)n2C)cc(Cl)c1[O-] ZINC000536853041 1100366237 /nfs/dbraw/zinc/36/62/37/1100366237.db2.gz PGWVLTWTWHZHMR-UHFFFAOYSA-N -1 3 367.630 4.370 20 0 FIADHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3cc(Cl)ccc3[O-])cc2)n1 ZINC000517561443 1100485437 /nfs/dbraw/zinc/48/54/37/1100485437.db2.gz GHJTUWCZVGATFC-UHFFFAOYSA-N -1 3 355.825 4.029 20 0 FIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000023346120 1100593565 /nfs/dbraw/zinc/59/35/65/1100593565.db2.gz OZNVHRUWXQSIJD-QMMMGPOBSA-N -1 3 366.801 4.206 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C4CC4)nc3C)c2)n1 ZINC000294641855 1100970970 /nfs/dbraw/zinc/97/09/70/1100970970.db2.gz XVRQYLKKLVTUAP-UHFFFAOYSA-N -1 3 374.444 4.245 20 0 FIADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000518349595 1101112040 /nfs/dbraw/zinc/11/20/40/1101112040.db2.gz YCOCIXHDIKSUIJ-UHFFFAOYSA-N -1 3 373.453 4.110 20 0 FIADHM C[C@@H]1CC[C@H](CCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)O1 ZINC000439160214 1101205685 /nfs/dbraw/zinc/20/56/85/1101205685.db2.gz ZLARCCCMONNIER-QMTHXVAHSA-N -1 3 368.264 4.092 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1cncs1 ZINC000439196126 1101242818 /nfs/dbraw/zinc/24/28/18/1101242818.db2.gz COHZNGRDLVRTAH-LURJTMIESA-N -1 3 371.698 4.143 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCC[C@@H](O)C1 ZINC000439313072 1101324823 /nfs/dbraw/zinc/32/48/23/1101324823.db2.gz CNHZVECUROUNTH-GXTWGEPZSA-N -1 3 368.458 4.159 20 0 FIADHM CCC[C@@H](CC1CCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432739 1101327656 /nfs/dbraw/zinc/32/76/56/1101327656.db2.gz GWBUDEQGFMRFQZ-LBPRGKRZSA-N -1 3 365.827 4.456 20 0 FIADHM CCC[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648433975 1101332016 /nfs/dbraw/zinc/33/20/16/1101332016.db2.gz XNKMOTTYMQARNC-GFCCVEGCSA-N -1 3 359.779 4.043 20 0 FIADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1c(F)cccc1F ZINC000537028960 1101406532 /nfs/dbraw/zinc/40/65/32/1101406532.db2.gz YPJQNPCUHRHDKH-SNVBAGLBSA-N -1 3 355.344 4.211 20 0 FIADHM Cc1c([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[nH]c1-c1ccccc1 ZINC000760154662 1101447214 /nfs/dbraw/zinc/44/72/14/1101447214.db2.gz YZQFDYJGSCAIAE-VAWYXSNFSA-N -1 3 373.865 4.451 20 0 FIADHM CCC(CC)CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000177056134 1101473244 /nfs/dbraw/zinc/47/32/44/1101473244.db2.gz SDWUPUAKRYTGII-UHFFFAOYSA-N -1 3 366.889 4.049 20 0 FIADHM O=c1[n-]c(-c2nc(-c3cc(Cl)cc(Br)c3)no2)ccc1F ZINC001214085724 1101527627 /nfs/dbraw/zinc/52/76/27/1101527627.db2.gz WAHBJFXASWASRS-UHFFFAOYSA-N -1 3 370.565 4.059 20 0 FIADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000509596440 1101562010 /nfs/dbraw/zinc/56/20/10/1101562010.db2.gz QNKSNSSJIFSXCU-UHFFFAOYSA-N -1 3 355.406 4.460 20 0 FIADHM CCc1ccc(C2=CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1 ZINC000180274008 1101576465 /nfs/dbraw/zinc/57/64/65/1101576465.db2.gz GUOCZWZGBWGFAM-UHFFFAOYSA-N -1 3 358.441 4.020 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C)c(C)cc3Cl)cc2)n1 ZINC000180579488 1101578838 /nfs/dbraw/zinc/57/88/38/1101578838.db2.gz LFSPPVGXCYWPJH-UHFFFAOYSA-N -1 3 367.836 4.268 20 0 FIADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1cccc([O-])c1 ZINC000183985906 1101636540 /nfs/dbraw/zinc/63/65/40/1101636540.db2.gz HEUSAYQZKJSALY-NSHDSACASA-N -1 3 363.822 4.236 20 0 FIADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1cccc([O-])c1 ZINC000183985926 1101637037 /nfs/dbraw/zinc/63/70/37/1101637037.db2.gz HEUSAYQZKJSALY-LLVKDONJSA-N -1 3 363.822 4.236 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COCC(F)(F)F)nc(=O)c23)c(C)c1 ZINC000055503027 1101674712 /nfs/dbraw/zinc/67/47/12/1101674712.db2.gz CIZDAZPVJKYQNP-UHFFFAOYSA-N -1 3 368.380 4.347 20 0 FIADHM COCCN(C(=O)c1cc2sccc2c([O-])c1)[C@H](C)c1ccccc1 ZINC001625957951 1101705462 /nfs/dbraw/zinc/70/54/62/1101705462.db2.gz XMKBRGCUCQVBAE-CQSZACIVSA-N -1 3 355.459 4.457 20 0 FIADHM COc1ccc([C@H](C)[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)cc1F ZINC001126782295 1102006607 /nfs/dbraw/zinc/00/66/07/1102006607.db2.gz IPQFTBYAIOHQSI-JTQLQIEISA-N -1 3 372.774 4.160 20 0 FIADHM CCn1c2ccccc2nc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000007153839 1102008918 /nfs/dbraw/zinc/00/89/18/1102008918.db2.gz NHXSJVSWCODECS-UHFFFAOYSA-N -1 3 366.442 4.469 20 0 FIADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000032587835 1102049149 /nfs/dbraw/zinc/04/91/49/1102049149.db2.gz NMXYTWADVVSQRU-UHFFFAOYSA-N -1 3 365.760 4.190 20 0 FIADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000506796249 1102127430 /nfs/dbraw/zinc/12/74/30/1102127430.db2.gz MOVOSTBOOHWXKY-UHFFFAOYSA-N -1 3 373.396 4.004 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000440273644 1102162223 /nfs/dbraw/zinc/16/22/23/1102162223.db2.gz WFRWNDBGNMBQCO-HNNXBMFYSA-N -1 3 372.896 4.127 20 0 FIADHM COc1c(Cl)cc(Cl)cc1CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000263460577 1102165279 /nfs/dbraw/zinc/16/52/79/1102165279.db2.gz BQRCNBDJFQIQKG-ONERCXAPSA-N -1 3 358.265 4.220 20 0 FIADHM O=C([O-])[C@@H](CCNCc1csc(-c2ccsc2)n1)Cc1ccccc1 ZINC000426626998 1102182093 /nfs/dbraw/zinc/18/20/93/1102182093.db2.gz CGUWIBLRQRLCFD-HNNXBMFYSA-N -1 3 372.515 4.295 20 0 FIADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2ccccc2)CCC3)on1 ZINC000534473369 1102310307 /nfs/dbraw/zinc/31/03/07/1102310307.db2.gz YSCKJTDNTYFYPR-UHFFFAOYSA-N -1 3 352.415 4.017 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(OCC(C)C)c3)c[n-]c12 ZINC000121075184 1102321208 /nfs/dbraw/zinc/32/12/08/1102321208.db2.gz GFSZCDOHVWXTLQ-UHFFFAOYSA-N -1 3 368.408 4.263 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473648470 1102391843 /nfs/dbraw/zinc/39/18/43/1102391843.db2.gz MXNXLTJSKPNPON-AEFFLSMTSA-N -1 3 359.416 4.446 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000473648472 1102391920 /nfs/dbraw/zinc/39/19/20/1102391920.db2.gz MXNXLTJSKPNPON-SJLPKXTDSA-N -1 3 359.416 4.446 20 0 FIADHM Cc1ccsc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000049239005 1102526642 /nfs/dbraw/zinc/52/66/42/1102526642.db2.gz PPWLCGUZKBPDQX-UHFFFAOYSA-N -1 3 370.710 4.495 20 0 FIADHM CCCC[C@H](SCc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)OC ZINC000475872797 1102535657 /nfs/dbraw/zinc/53/56/57/1102535657.db2.gz DVYJTKMAMANFRY-ZDUSSCGKSA-N -1 3 360.435 4.047 20 0 FIADHM Cc1ccc(C[C@H](CNCc2csc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000426663182 1102608444 /nfs/dbraw/zinc/60/84/44/1102608444.db2.gz JFLCIPIUPZTKHU-GOSISDBHSA-N -1 3 366.486 4.152 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3C(C)(C)C)cc2)n1 ZINC000123049531 1102756672 /nfs/dbraw/zinc/75/66/72/1102756672.db2.gz WQNMFWWHUXBYRT-UHFFFAOYSA-N -1 3 361.445 4.295 20 0 FIADHM CC(C)N(CCc1nccs1)Cc1cccc([O-])c1Br ZINC000459332836 1102834210 /nfs/dbraw/zinc/83/42/10/1102834210.db2.gz AABCQXJCWCJJCI-UHFFFAOYSA-N -1 3 355.301 4.064 20 0 FIADHM CSc1ccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)o1 ZINC000112244256 1102843089 /nfs/dbraw/zinc/84/30/89/1102843089.db2.gz AMBVJAQDINZNGS-UHFFFAOYSA-N -1 3 351.840 4.426 20 0 FIADHM CCOc1cc(CN(Cc2cc[nH]n2)Cc2ccccc2)cc(Cl)c1[O-] ZINC000459335129 1102852180 /nfs/dbraw/zinc/85/21/80/1102852180.db2.gz HCSNFDXFASGCLW-UHFFFAOYSA-N -1 3 371.868 4.370 20 0 FIADHM [O-]c1cccc(CNc2ccc(SCCCO)cc2)c1Br ZINC000459348466 1102877887 /nfs/dbraw/zinc/87/78/87/1102877887.db2.gz HRSZLGVURYNAAY-UHFFFAOYSA-N -1 3 368.296 4.241 20 0 FIADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000476896317 1102935955 /nfs/dbraw/zinc/93/59/55/1102935955.db2.gz JQIJLQISCHKKQA-UHFFFAOYSA-N -1 3 356.274 4.218 20 0 FIADHM Cc1cccc([C@@H](NCc2cc(F)cc(C(F)(F)F)c2)C(=O)[O-])c1C ZINC000426731639 1102950481 /nfs/dbraw/zinc/95/04/81/1102950481.db2.gz QDLLDXZJTHJASJ-MRXNPFEDSA-N -1 3 355.331 4.377 20 0 FIADHM Cc1cccc([C@@H](NCc2ccc(OC(F)F)c(Cl)c2)C(=O)[O-])c1C ZINC000426733268 1102952492 /nfs/dbraw/zinc/95/24/92/1102952492.db2.gz MBUMLNSIPPNMLT-MRXNPFEDSA-N -1 3 369.795 4.474 20 0 FIADHM O=C([O-])[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000426736298 1102956098 /nfs/dbraw/zinc/95/60/98/1102956098.db2.gz IQOOGQOCLHRDKW-AWEZNQCLSA-N -1 3 361.722 4.413 20 0 FIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)sc1Br ZINC000426726821 1102961609 /nfs/dbraw/zinc/96/16/09/1102961609.db2.gz LNCHZERPIXNLHQ-GFCCVEGCSA-N -1 3 374.687 4.388 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Br)c(F)c1)c1ccccc1 ZINC000426745771 1102961737 /nfs/dbraw/zinc/96/17/37/1102961737.db2.gz VXYWGSQECIXITP-BDJLRTHQSA-N -1 3 366.230 4.140 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(OCc2ccccc2)c1)c1cccc(F)c1 ZINC000426764843 1102964275 /nfs/dbraw/zinc/96/42/75/1102964275.db2.gz YLRZPGJSLZWGGM-OAQYLSRUSA-N -1 3 365.404 4.320 20 0 FIADHM O=C([O-])[C@@H](NCc1cc(Br)cs1)c1cccc(Cl)c1 ZINC000426746536 1102964698 /nfs/dbraw/zinc/96/46/98/1102964698.db2.gz JWYADFGGWWAMGU-LBPRGKRZSA-N -1 3 360.660 4.080 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])s2)o1 ZINC000426745239 1102964941 /nfs/dbraw/zinc/96/49/41/1102964941.db2.gz GBUYBDMMKWKPCP-SUMWQHHRSA-N -1 3 356.447 4.263 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000426747506 1102965412 /nfs/dbraw/zinc/96/54/12/1102965412.db2.gz PVGATNSYGLFMAJ-GFCCVEGCSA-N -1 3 360.660 4.080 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(-c3ccccn3)c2)c1 ZINC000426761477 1102975374 /nfs/dbraw/zinc/97/53/74/1102975374.db2.gz AYTCRGCZGXSXCE-OAQYLSRUSA-N -1 3 362.429 4.063 20 0 FIADHM O=C([O-])[C@@H](NCc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000426768762 1102976395 /nfs/dbraw/zinc/97/63/95/1102976395.db2.gz BWVITICJINPEMC-AWEZNQCLSA-N -1 3 361.722 4.413 20 0 FIADHM O=C([O-])C[C@H](NCc1cccc(-c2ccncc2)c1)c1ccc(F)cc1 ZINC000426781077 1102982214 /nfs/dbraw/zinc/98/22/14/1102982214.db2.gz XZVGLSUIJZNOBP-FQEVSTJZSA-N -1 3 350.393 4.193 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)C)cc2)cc1OC ZINC000426781134 1102982452 /nfs/dbraw/zinc/98/24/52/1102982452.db2.gz YSEBFNWXFGQTDO-GOSISDBHSA-N -1 3 357.450 4.133 20 0 FIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1Oc1cccnc1 ZINC000426782065 1102983537 /nfs/dbraw/zinc/98/35/37/1102983537.db2.gz DOLVESADKYYKLE-GOSISDBHSA-N -1 3 354.431 4.159 20 0 FIADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1OCCC(C)C ZINC000426785495 1102985777 /nfs/dbraw/zinc/98/57/77/1102985777.db2.gz XQUHOULDZOJHAK-SFHVURJKSA-N -1 3 363.479 4.097 20 0 FIADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1OCC(C)C ZINC000426802960 1103000803 /nfs/dbraw/zinc/00/08/03/1103000803.db2.gz ZBJICJMPDRNXQS-HXUWFJFHSA-N -1 3 357.450 4.036 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000426807318 1103004089 /nfs/dbraw/zinc/00/40/89/1103004089.db2.gz MWPCMHSQDSINQN-AWEZNQCLSA-N -1 3 361.722 4.413 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000426810172 1103005376 /nfs/dbraw/zinc/00/53/76/1103005376.db2.gz IDSOLIFCDGQPNA-AWEZNQCLSA-N -1 3 354.631 4.018 20 0 FIADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1c[n-]c3ccccc3c1=O)CCC2 ZINC000477010938 1103008433 /nfs/dbraw/zinc/00/84/33/1103008433.db2.gz WUEGBKZQXUDNRW-OAQYLSRUSA-N -1 3 360.457 4.459 20 0 FIADHM Cc1ccc(F)cc1CN[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000426823693 1103021907 /nfs/dbraw/zinc/02/19/07/1103021907.db2.gz DSATWHRPMBUQOX-INIZCTEOSA-N -1 3 366.230 4.202 20 0 FIADHM CCc1ccc([C@@H](NCc2cnn(-c3ccc(Cl)cc3)c2)C(=O)[O-])cc1 ZINC000426825932 1103022232 /nfs/dbraw/zinc/02/22/32/1103022232.db2.gz RPXSQJLGTGDDJD-LJQANCHMSA-N -1 3 369.852 4.004 20 0 FIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OCC2CCCCC2)cc1 ZINC000507255234 1103245451 /nfs/dbraw/zinc/24/54/51/1103245451.db2.gz ZETHLJCWEWJFCS-UHFFFAOYSA-N -1 3 368.359 4.035 20 0 FIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OCC2CCCCC2)cc1 ZINC000507255234 1103245463 /nfs/dbraw/zinc/24/54/63/1103245463.db2.gz ZETHLJCWEWJFCS-UHFFFAOYSA-N -1 3 368.359 4.035 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000532835933 1103260294 /nfs/dbraw/zinc/26/02/94/1103260294.db2.gz JPFIFBYWHUFNNJ-UHFFFAOYSA-N -1 3 359.853 4.292 20 0 FIADHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(-c2ccccc2)ccc1Cl ZINC000473857768 1103425839 /nfs/dbraw/zinc/42/58/39/1103425839.db2.gz OJCZXYRCTRJZOK-GOSISDBHSA-N -1 3 367.836 4.256 20 0 FIADHM CCCCc1nc(NC(=O)c2ccc(C)cc2Cl)c(C(=O)OCC)[n-]1 ZINC000427323534 1103445753 /nfs/dbraw/zinc/44/57/53/1103445753.db2.gz XBOSZXBGTDPUDF-UHFFFAOYSA-N -1 3 363.845 4.143 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(Cl)cc1F ZINC000507646306 1103583148 /nfs/dbraw/zinc/58/31/48/1103583148.db2.gz WNWIMNNBOBKKMM-UHFFFAOYSA-N -1 3 365.760 4.190 20 0 FIADHM COc1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc(Cl)c1[O-] ZINC000477586057 1103704283 /nfs/dbraw/zinc/70/42/83/1103704283.db2.gz JKFHHTDVLBQIRW-UHFFFAOYSA-N -1 3 373.840 4.480 20 0 FIADHM COc1ccc(C)cc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000519945810 1103963359 /nfs/dbraw/zinc/96/33/59/1103963359.db2.gz QGDPNQMHFOZTEX-UHFFFAOYSA-N -1 3 364.405 4.119 20 0 FIADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000441005166 1104070069 /nfs/dbraw/zinc/07/00/69/1104070069.db2.gz ZAAMVEHESFWRME-UHFFFAOYSA-N -1 3 351.324 4.321 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000441015477 1104076580 /nfs/dbraw/zinc/07/65/80/1104076580.db2.gz YWXJPNHUYAPCJI-CMPLNLGQSA-N -1 3 357.278 4.431 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1Cl ZINC000538298438 1104119713 /nfs/dbraw/zinc/11/97/13/1104119713.db2.gz IUFPVEFJIXOIQX-UHFFFAOYSA-N -1 3 357.834 4.376 20 0 FIADHM Clc1ccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)s2)cc1 ZINC000520270693 1104210154 /nfs/dbraw/zinc/21/01/54/1104210154.db2.gz SONMZTBNKXGFFO-UHFFFAOYSA-N -1 3 359.886 4.141 20 0 FIADHM Clc1ccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)s2)cc1 ZINC000520270693 1104210157 /nfs/dbraw/zinc/21/01/57/1104210157.db2.gz SONMZTBNKXGFFO-UHFFFAOYSA-N -1 3 359.886 4.141 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC3CCCCCC3)cc2)cc(=O)[n-]1 ZINC000520345085 1104284715 /nfs/dbraw/zinc/28/47/15/1104284715.db2.gz COQGYMIJAIDPJX-UHFFFAOYSA-N -1 3 354.454 4.250 20 0 FIADHM COCc1nc(CNCc2cc([O-])cc(F)c2)c(-c2ccccc2)s1 ZINC000441366125 1104310194 /nfs/dbraw/zinc/31/01/94/1104310194.db2.gz CWZIPUGQAOWZFC-UHFFFAOYSA-N -1 3 358.438 4.091 20 0 FIADHM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cc(Cl)ccc1[O-] ZINC000028923833 1104436263 /nfs/dbraw/zinc/43/62/63/1104436263.db2.gz AXGAGRZVDFLCHD-LJQANCHMSA-N -1 3 368.820 4.430 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000189760858 1104850414 /nfs/dbraw/zinc/85/04/14/1104850414.db2.gz VVXVXZYGNDOZNP-UHFFFAOYSA-N -1 3 365.867 4.105 20 0 FIADHM CSc1ccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)o1 ZINC000189769453 1104851722 /nfs/dbraw/zinc/85/17/22/1104851722.db2.gz HWPXIFFWULCMAT-UHFFFAOYSA-N -1 3 365.867 4.350 20 0 FIADHM O=C([O-])[C@@H]1C[C@H](NCc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000417616946 1105017492 /nfs/dbraw/zinc/01/74/92/1105017492.db2.gz HUPIXDDOELSVSK-ZBFHGGJFSA-N -1 3 353.315 4.247 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)c1Cl ZINC000614602071 1105020913 /nfs/dbraw/zinc/02/09/13/1105020913.db2.gz PPHLHTBKFRVUQO-NSHDSACASA-N -1 3 362.278 4.194 20 0 FIADHM CCC[C@H](CCCCNCc1cccc(F)c1Br)C(=O)[O-] ZINC000417635456 1105038877 /nfs/dbraw/zinc/03/88/77/1105038877.db2.gz FAPGVNUWQLQSJC-GFCCVEGCSA-N -1 3 360.267 4.349 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)s1 ZINC000189819908 1105095806 /nfs/dbraw/zinc/09/58/06/1105095806.db2.gz QESFETDUCIQOEO-UHFFFAOYSA-N -1 3 364.883 4.054 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nc(C(C)(C)C)cs1 ZINC000106893080 1105157079 /nfs/dbraw/zinc/15/70/79/1105157079.db2.gz NDYYYILLHVUJFT-QMMMGPOBSA-N -1 3 364.945 4.195 20 0 FIADHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1[O-] ZINC000117013985 1105226411 /nfs/dbraw/zinc/22/64/11/1105226411.db2.gz RVIJODSIVXIVTC-UHFFFAOYSA-N -1 3 374.156 4.355 20 0 FIADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccco1 ZINC000508021899 1105302850 /nfs/dbraw/zinc/30/28/50/1105302850.db2.gz HRJJBTITKCGODG-GOSISDBHSA-N -1 3 365.495 4.095 20 0 FIADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccco1 ZINC000508021901 1105303167 /nfs/dbraw/zinc/30/31/67/1105303167.db2.gz HRJJBTITKCGODG-SFHVURJKSA-N -1 3 365.495 4.095 20 0 FIADHM O=C([O-])c1ccc(F)c2c1CN(CCn1ccc3cc(Cl)ccc31)CC2 ZINC000530169153 1106876096 /nfs/dbraw/zinc/87/60/96/1106876096.db2.gz NWSVNFWEUHAQRP-UHFFFAOYSA-N -1 3 372.827 4.190 20 0 FIADHM CC(C)c1c([N-]S(=O)(=O)CCCCF)cnn1-c1ccccc1Cl ZINC000451036052 1106898877 /nfs/dbraw/zinc/89/88/77/1106898877.db2.gz DISMCRVZTLQEMF-UHFFFAOYSA-N -1 3 373.881 4.141 20 0 FIADHM O=c1[n-]c(Sc2ccccc2Cl)nc2c1cnn2-c1ccccc1 ZINC000301273817 1106978433 /nfs/dbraw/zinc/97/84/33/1106978433.db2.gz HZUXBVNWVSATFW-UHFFFAOYSA-N -1 3 354.822 4.326 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)c3cccc(F)c3)nc2)n1 ZINC000301282632 1106979774 /nfs/dbraw/zinc/97/97/74/1106979774.db2.gz LEBMJGRWUCLJKQ-UHFFFAOYSA-N -1 3 366.440 4.335 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3oc4ccccc4c3C)nc2)n1 ZINC000301308544 1106986694 /nfs/dbraw/zinc/98/66/94/1106986694.db2.gz WQDJISVTRGSGMY-UHFFFAOYSA-N -1 3 360.417 4.473 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cc4ccccc4o3)nc2)n1 ZINC000301364749 1107005720 /nfs/dbraw/zinc/00/57/20/1107005720.db2.gz NLHHAQJISZMNRV-UHFFFAOYSA-N -1 3 360.417 4.207 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CC)c3ccc(OC)cc3)nc2)n1 ZINC000301521672 1107056395 /nfs/dbraw/zinc/05/63/95/1107056395.db2.gz LNBDGSLTHHUZOH-SFHVURJKSA-N -1 3 364.449 4.378 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](c3cccnc3)C(C)C)nc2)n1 ZINC000301571577 1107073641 /nfs/dbraw/zinc/07/36/41/1107073641.db2.gz MESCVWQHXWUYDG-GOSISDBHSA-N -1 3 363.465 4.053 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccccc4)[C@@H]3C)nc2)n1 ZINC000301584338 1107077020 /nfs/dbraw/zinc/07/70/20/1107077020.db2.gz QQHSJDZGTFXYBV-KXBFYZLASA-N -1 3 360.461 4.189 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(C)c(F)c3)nc2)n1 ZINC000301608482 1107087009 /nfs/dbraw/zinc/08/70/09/1107087009.db2.gz OSWZKIHJDMQZAO-CYBMUJFWSA-N -1 3 352.413 4.427 20 0 FIADHM Cc1nc(-c2ccc(N[C@@H](C)c3cccc(F)c3F)nc2)[n-]c(=O)c1C ZINC000301912725 1107208465 /nfs/dbraw/zinc/20/84/65/1107208465.db2.gz HENVOZWBLLWEEC-LBPRGKRZSA-N -1 3 356.376 4.312 20 0 FIADHM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ncccc1[O-] ZINC000530700369 1107268525 /nfs/dbraw/zinc/26/85/25/1107268525.db2.gz PYMFYFXTNSTXQN-JTQLQIEISA-N -1 3 359.838 4.108 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCO[C@@H](C(CC)CC)C3)nc2)n1 ZINC000302056776 1107278539 /nfs/dbraw/zinc/27/85/39/1107278539.db2.gz QDPCRFQQOBYVDN-ZWKOTPCHSA-N -1 3 370.497 4.202 20 0 FIADHM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451753946 1107299037 /nfs/dbraw/zinc/29/90/37/1107299037.db2.gz CHLQEUCLGWMMNA-LBPRGKRZSA-N -1 3 369.358 4.182 20 0 FIADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000530827857 1107342342 /nfs/dbraw/zinc/34/23/42/1107342342.db2.gz XPWKEOYQDPQAMP-MJGOQNOKSA-N -1 3 356.441 4.399 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1csc(-c2ccoc2)n1 ZINC000531015357 1107465124 /nfs/dbraw/zinc/46/51/24/1107465124.db2.gz XEXXUMIUEXPJCC-UHFFFAOYSA-N -1 3 365.208 4.124 20 0 FIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000614761602 1107659488 /nfs/dbraw/zinc/65/94/88/1107659488.db2.gz YLGXHDXYWZQVQU-UHFFFAOYSA-N -1 3 364.898 4.358 20 0 FIADHM COc1cc2c(cc1CNCc1cc(Cl)cc(Cl)c1[O-])O[C@@H](C)C2 ZINC000237297981 1107728142 /nfs/dbraw/zinc/72/81/42/1107728142.db2.gz DEQKFKBJNYHYLW-JTQLQIEISA-N -1 3 368.260 4.321 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c(C)c1 ZINC000614769757 1107729629 /nfs/dbraw/zinc/72/96/29/1107729629.db2.gz VGKUXUXDIBQSIK-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(SC)ccc2[O-])cc1OC ZINC000665833006 1107842541 /nfs/dbraw/zinc/84/25/41/1107842541.db2.gz PIEOHGBKOZCJOB-MRXNPFEDSA-N -1 3 373.474 4.109 20 0 FIADHM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000531492529 1107929045 /nfs/dbraw/zinc/92/90/45/1107929045.db2.gz FONUUBWQLXNYHY-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM CCc1nc(C)c(C(=O)Nc2c([O-])ccc(Br)c2C)s1 ZINC000452760198 1107938635 /nfs/dbraw/zinc/93/86/35/1107938635.db2.gz VGSKUNFMIDXARD-UHFFFAOYSA-N -1 3 355.257 4.043 20 0 FIADHM CO[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1(C)C ZINC000452839977 1107988552 /nfs/dbraw/zinc/98/85/52/1107988552.db2.gz FMXJNKYJNPAYDV-OAQYLSRUSA-N -1 3 367.489 4.065 20 0 FIADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000523471166 1108242627 /nfs/dbraw/zinc/24/26/27/1108242627.db2.gz BPUWVVZHDRNOQP-KRWDZBQOSA-N -1 3 350.821 4.381 20 0 FIADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1Cl ZINC000444994298 1108352956 /nfs/dbraw/zinc/35/29/56/1108352956.db2.gz VNUZKJAUMFWJEA-VIFPVBQESA-N -1 3 357.212 4.399 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c(C)c1 ZINC000531951565 1108436347 /nfs/dbraw/zinc/43/63/47/1108436347.db2.gz JMQGROICWBMUDL-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(COCC)c2)CC)n1 ZINC000193619339 1108783669 /nfs/dbraw/zinc/78/36/69/1108783669.db2.gz BZKDDPNRDGHIOT-LFIBNONCSA-N -1 3 356.466 4.218 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(Br)cc3F)no2)c1[O-] ZINC000445454329 1108786990 /nfs/dbraw/zinc/78/69/90/1108786990.db2.gz GEFLNHCGXWMXQM-UHFFFAOYSA-N -1 3 365.158 4.019 20 0 FIADHM COc1ccc(C(C)(C)c2noc(-c3ccc(C)cc3[O-])n2)cc1OC ZINC000445685701 1108946428 /nfs/dbraw/zinc/94/64/28/1108946428.db2.gz UDAKVZYRRZCONG-UHFFFAOYSA-N -1 3 354.406 4.094 20 0 FIADHM CCSc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000524327116 1108961019 /nfs/dbraw/zinc/96/10/19/1108961019.db2.gz DWHSZYYTAKYBCY-UHFFFAOYSA-N -1 3 351.493 4.225 20 0 FIADHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cnccn2)cc1 ZINC000445947034 1109050664 /nfs/dbraw/zinc/05/06/64/1109050664.db2.gz QFMXYPKQSGKCPZ-UHFFFAOYSA-N -1 3 357.369 4.015 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1 ZINC000525018482 1109233534 /nfs/dbraw/zinc/23/35/34/1109233534.db2.gz NBGQMFQJFRAVFG-UHFFFAOYSA-N -1 3 373.396 4.381 20 0 FIADHM Cc1ccc(CS(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)c(F)c1 ZINC000446790675 1109339255 /nfs/dbraw/zinc/33/92/55/1109339255.db2.gz CEWOPZGPAUMIRO-UHFFFAOYSA-N -1 3 373.453 4.220 20 0 FIADHM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cccc2ncccc21 ZINC000447262230 1109489638 /nfs/dbraw/zinc/48/96/38/1109489638.db2.gz CSALEUZGSKUWPX-UHFFFAOYSA-N -1 3 368.389 4.435 20 0 FIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1 ZINC000447267229 1109491320 /nfs/dbraw/zinc/49/13/20/1109491320.db2.gz MCQGTEMWMWINTP-UHFFFAOYSA-N -1 3 358.463 4.103 20 0 FIADHM COc1cc(C(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)cc(OC)c1[O-] ZINC000447858164 1109660950 /nfs/dbraw/zinc/66/09/50/1109660950.db2.gz IGYZQMWMYCYYIH-SFHVURJKSA-N -1 3 361.413 4.018 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000447877017 1109665543 /nfs/dbraw/zinc/66/55/43/1109665543.db2.gz GTBHYUJGCIAKKL-DLBZAZTESA-N -1 3 363.461 4.481 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccccc2OCc2ccccc2)n1 ZINC000447890163 1109667959 /nfs/dbraw/zinc/66/79/59/1109667959.db2.gz VLENCFWHJNDAGE-SJORKVTESA-N -1 3 363.461 4.481 20 0 FIADHM Cc1[nH]nc(NC(=O)CCCc2ccc([O-])c(F)c2)c1-c1ccccc1 ZINC000527313848 1109737181 /nfs/dbraw/zinc/73/71/81/1109737181.db2.gz FIIPLYIDPGJOKK-UHFFFAOYSA-N -1 3 353.397 4.191 20 0 FIADHM CC(C)c1cc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)nn1C(C)(C)C ZINC000448493407 1109808848 /nfs/dbraw/zinc/80/88/48/1109808848.db2.gz VUQOJNFXCJNQHN-UHFFFAOYSA-N -1 3 370.428 4.230 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CC)CC(F)(F)F)c2)n1 ZINC000448724555 1109873179 /nfs/dbraw/zinc/87/31/79/1109873179.db2.gz LRIUMGOYDUWQGI-LLVKDONJSA-N -1 3 367.371 4.329 20 0 FIADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1c1ccsc1 ZINC000527978715 1109873191 /nfs/dbraw/zinc/87/31/91/1109873191.db2.gz LKPSLTDTWGYUCO-AWEZNQCLSA-N -1 3 352.253 4.194 20 0 FIADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1[O-] ZINC000538783245 1111298422 /nfs/dbraw/zinc/29/84/22/1111298422.db2.gz FXNPRTIXTIHDCH-QGZVFWFLSA-N -1 3 350.418 4.463 20 0 FIADHM Cc1ccccc1-c1csc([N-]C(=O)c2cc(-c3ccccn3)no2)n1 ZINC000462124212 1111506548 /nfs/dbraw/zinc/50/65/48/1111506548.db2.gz ZPEBBZMPHOIFAF-UHFFFAOYSA-N -1 3 362.414 4.421 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@H]43)cc2)n1 ZINC000552059414 1111561663 /nfs/dbraw/zinc/56/16/63/1111561663.db2.gz XSYIZJHHQCBFLM-ATZDWAIDSA-N -1 3 365.477 4.290 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(-c3ccccc3)n2)c1F ZINC000478100490 1111683747 /nfs/dbraw/zinc/68/37/47/1111683747.db2.gz IAIAIEUQMKUBEV-UHFFFAOYSA-N -1 3 374.368 4.127 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000552393829 1111691917 /nfs/dbraw/zinc/69/19/17/1111691917.db2.gz OCDWSJGTELGLFN-HTQZYQBOSA-N -1 3 352.150 4.072 20 0 FIADHM C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000552433433 1111704931 /nfs/dbraw/zinc/70/49/31/1111704931.db2.gz JIALFBSLMIHBDO-VIFPVBQESA-N -1 3 370.630 4.214 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000552761426 1111800300 /nfs/dbraw/zinc/80/03/00/1111800300.db2.gz SCDVYWKZZWNMPV-UHFFFAOYSA-N -1 3 374.799 4.346 20 0 FIADHM CCCCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1ccccc1 ZINC000553060410 1111897192 /nfs/dbraw/zinc/89/71/92/1111897192.db2.gz BKAZIWYKWZVLHA-UHFFFAOYSA-N -1 3 352.409 4.423 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CC(C)(c4ccccc4)C3)nc2)n1 ZINC000553609847 1112021661 /nfs/dbraw/zinc/02/16/61/1112021661.db2.gz NQNVHDOFSVNPNF-UHFFFAOYSA-N -1 3 360.461 4.339 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2F)c1Br ZINC000479533086 1112059439 /nfs/dbraw/zinc/05/94/39/1112059439.db2.gz RDOMJCNXVIZJND-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1csc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1Cl ZINC000479901936 1112182557 /nfs/dbraw/zinc/18/25/57/1112182557.db2.gz VVYQZVQPZDABJG-UHFFFAOYSA-N -1 3 367.261 4.255 20 0 FIADHM CSc1ccc([O-])c(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000667647700 1112352252 /nfs/dbraw/zinc/35/22/52/1112352252.db2.gz CESASFVJHCQGOG-OXJNMPFZSA-N -1 3 371.502 4.354 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000554647125 1112433079 /nfs/dbraw/zinc/43/30/79/1112433079.db2.gz MLIMUMVMFPGWOQ-QGZVFWFLSA-N -1 3 368.452 4.260 20 0 FIADHM CO[C@@](C)(c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)C1CC1 ZINC000555011974 1112620641 /nfs/dbraw/zinc/62/06/41/1112620641.db2.gz OVAKQGAPGAOEKC-OAQYLSRUSA-N -1 3 350.418 4.305 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1-c1ncco1 ZINC000481611248 1112995086 /nfs/dbraw/zinc/99/50/86/1112995086.db2.gz JWCYNJZVZILSQH-UHFFFAOYSA-N -1 3 360.410 4.207 20 0 FIADHM O=S(=O)([N-]c1ncccc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000481945894 1113141869 /nfs/dbraw/zinc/14/18/69/1113141869.db2.gz VJPDPYSOQLKFRF-UHFFFAOYSA-N -1 3 374.849 4.115 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000482863865 1113380767 /nfs/dbraw/zinc/38/07/67/1113380767.db2.gz GSXMYBFCZBWHCX-JKSUJKDBSA-N -1 3 359.416 4.446 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000483098806 1113439621 /nfs/dbraw/zinc/43/96/21/1113439621.db2.gz KWVQRESKDKHEBB-UHFFFAOYSA-N -1 3 362.832 4.274 20 0 FIADHM COc1cccc2c1[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC000486103317 1113504836 /nfs/dbraw/zinc/50/48/36/1113504836.db2.gz HQLVLBIREWCHJX-GFCCVEGCSA-N -1 3 351.324 4.088 20 0 FIADHM COc1cccc(-c2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)cs2)c1 ZINC000486104632 1113506165 /nfs/dbraw/zinc/50/61/65/1113506165.db2.gz QJHLFMNSZRZKOQ-FPLPWBNLSA-N -1 3 351.431 4.362 20 0 FIADHM Cc1cc(=O)[n-]c(C=Cc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000486142710 1113512256 /nfs/dbraw/zinc/51/22/56/1113512256.db2.gz CCVFHLXZPZWBGZ-DAXSKMNVSA-N -1 3 359.838 4.350 20 0 FIADHM CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486424755 1113564554 /nfs/dbraw/zinc/56/45/54/1113564554.db2.gz OQHWMHVTCRVZLO-ZFWWWQNUSA-N -1 3 369.303 4.265 20 0 FIADHM CC[C@H]1CCCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486638903 1113609479 /nfs/dbraw/zinc/60/94/79/1113609479.db2.gz INZZTXWKKXFCNW-ZDUSSCGKSA-N -1 3 355.276 4.019 20 0 FIADHM O=C(CCc1ccc2ccccc2n1)Nc1cc(Br)ccc1[O-] ZINC000486798543 1113648779 /nfs/dbraw/zinc/64/87/79/1113648779.db2.gz OAPSLCYEQDTSIO-UHFFFAOYSA-N -1 3 371.234 4.274 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2c(s1)CCCC2 ZINC000488659167 1113972023 /nfs/dbraw/zinc/97/20/23/1113972023.db2.gz QAHQMXBDRAQMDX-UHFFFAOYSA-N -1 3 366.280 4.025 20 0 FIADHM O=S(=O)([N-]CCC1=CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000488945964 1114024165 /nfs/dbraw/zinc/02/41/65/1114024165.db2.gz QGTDRVOPWBOBRG-UHFFFAOYSA-N -1 3 351.365 4.013 20 0 FIADHM COc1cc(C(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)cc(OC)c1[O-] ZINC000490208924 1114232514 /nfs/dbraw/zinc/23/25/14/1114232514.db2.gz FMIBUHBBEUHWLN-IBGZPJMESA-N -1 3 357.450 4.235 20 0 FIADHM COc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000490550748 1114299495 /nfs/dbraw/zinc/29/94/95/1114299495.db2.gz ZNHZNCLDQGVNMP-ZWKOTPCHSA-N -1 3 369.461 4.126 20 0 FIADHM CCc1nc(C(C)C)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000490667314 1114314497 /nfs/dbraw/zinc/31/44/97/1114314497.db2.gz DDFPGYROHKBNQG-UHFFFAOYSA-N -1 3 363.255 4.488 20 0 FIADHM O=C(OCc1cc2ccccc2nc1Cl)c1cc(-c2ccco2)[n-]n1 ZINC000913298750 1114322077 /nfs/dbraw/zinc/32/20/77/1114322077.db2.gz CCBORWPMNJEXHT-UHFFFAOYSA-N -1 3 353.765 4.228 20 0 FIADHM O=C(OCc1cc2ccccc2nc1Cl)c1cc(-c2ccco2)n[n-]1 ZINC000913298750 1114322082 /nfs/dbraw/zinc/32/20/82/1114322082.db2.gz CCBORWPMNJEXHT-UHFFFAOYSA-N -1 3 353.765 4.228 20 0 FIADHM O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)c1cccc2n[n-]nc21 ZINC000570877140 1114380353 /nfs/dbraw/zinc/38/03/53/1114380353.db2.gz GLQBRPVGLOQTSI-INIZCTEOSA-N -1 3 368.849 4.192 20 0 FIADHM CSc1nc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n[n-]1 ZINC000589691373 1114827846 /nfs/dbraw/zinc/82/78/46/1114827846.db2.gz GFUPPRYPYJMVKF-UHFFFAOYSA-N -1 3 360.826 4.225 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000590103368 1114894806 /nfs/dbraw/zinc/89/48/06/1114894806.db2.gz VCUAIDGVXXRVBG-ZJUUUORDSA-N -1 3 363.204 4.114 20 0 FIADHM [O-]c1cc(Br)cnc1Nc1cccc(OCC(F)(F)F)c1 ZINC001212164592 1114939505 /nfs/dbraw/zinc/93/95/05/1114939505.db2.gz YAPKJCALJHHNMR-UHFFFAOYSA-N -1 3 363.133 4.234 20 0 FIADHM COc1ccccc1[C@@H](C)CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000590810061 1114978357 /nfs/dbraw/zinc/97/83/57/1114978357.db2.gz ACUKALALNGTSOJ-ZDUSSCGKSA-N -1 3 369.852 4.293 20 0 FIADHM COc1ccccc1[C@H](C)CC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000590810060 1114978430 /nfs/dbraw/zinc/97/84/30/1114978430.db2.gz ACUKALALNGTSOJ-CYBMUJFWSA-N -1 3 369.852 4.293 20 0 FIADHM Cc1ccc2c(Cl)c(C(=O)Nc3n[n-]c(-c4ccco4)n3)sc2c1 ZINC000591426317 1115076622 /nfs/dbraw/zinc/07/66/22/1115076622.db2.gz MCBCXTFWEVDZFY-UHFFFAOYSA-N -1 3 358.810 4.494 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(Cl)s1 ZINC000591392393 1115077028 /nfs/dbraw/zinc/07/70/28/1115077028.db2.gz IKWALDUJSCPLAA-OAHLLOKOSA-N -1 3 359.875 4.360 20 0 FIADHM COc1c(F)ccc(F)c1C(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000573484308 1115130242 /nfs/dbraw/zinc/13/02/42/1115130242.db2.gz OWGQYIADAVGOMH-UHFFFAOYSA-N -1 3 365.229 4.105 20 0 FIADHM C[C@H](CSCCNCc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000592461519 1115234758 /nfs/dbraw/zinc/23/47/58/1115234758.db2.gz JXLJHUJFZNFTQA-CYBMUJFWSA-N -1 3 371.930 4.205 20 0 FIADHM CCCc1nc(C)c(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)o1 ZINC000574340528 1115343533 /nfs/dbraw/zinc/34/35/33/1115343533.db2.gz IMIQJVVXTUKMDD-UHFFFAOYSA-N -1 3 356.466 4.088 20 0 FIADHM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1nc(Cl)c(Cl)cc1Cl ZINC000046414183 1115344004 /nfs/dbraw/zinc/34/40/04/1115344004.db2.gz WCPDPFANIVXUCT-UHFFFAOYSA-N -1 3 369.639 4.427 20 0 FIADHM CCCNC(=O)c1ccc(NCc2cc(Cl)c([O-])c(OCC)c2)cc1 ZINC000574524384 1115412915 /nfs/dbraw/zinc/41/29/15/1115412915.db2.gz BLWYFBWXHRAGFT-UHFFFAOYSA-N -1 3 362.857 4.196 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1csc(-c2ccoc2)n1 ZINC000594583342 1115467830 /nfs/dbraw/zinc/46/78/30/1115467830.db2.gz DYSAOVPTYGDDHX-UHFFFAOYSA-N -1 3 365.208 4.124 20 0 FIADHM COC1(c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CCCC1 ZINC000574890870 1115512990 /nfs/dbraw/zinc/51/29/90/1115512990.db2.gz AXBMAIHNWFIDAU-UHFFFAOYSA-N -1 3 366.417 4.437 20 0 FIADHM O=C([O-])c1cccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000575130317 1115543393 /nfs/dbraw/zinc/54/33/93/1115543393.db2.gz UFTUQVYVFRSXMK-UHFFFAOYSA-N -1 3 357.837 4.206 20 0 FIADHM O=S(=O)([N-]CCOC1CCCCCC1)c1cccc(Cl)c1Cl ZINC000605320139 1115889108 /nfs/dbraw/zinc/88/91/08/1115889108.db2.gz FVWAQGDTUWNTFT-UHFFFAOYSA-N -1 3 366.310 4.011 20 0 FIADHM COc1ccc(N[C@H](C)c2cccc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000171975454 1115897054 /nfs/dbraw/zinc/89/70/54/1115897054.db2.gz PVNDTJMEZCJELP-CQSZACIVSA-N -1 3 370.474 4.393 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3cc4occc4s3)n2)cc1 ZINC000605463183 1115898283 /nfs/dbraw/zinc/89/82/83/1115898283.db2.gz CSMMFFFFZWAUJM-UHFFFAOYSA-N -1 3 357.416 4.274 20 0 FIADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000605493055 1115904131 /nfs/dbraw/zinc/90/41/31/1115904131.db2.gz UEUQKLGZGNMHAN-LBPRGKRZSA-N -1 3 365.882 4.335 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000606624993 1115957273 /nfs/dbraw/zinc/95/72/73/1115957273.db2.gz POBURRVGJXXWQN-HXUWFJFHSA-N -1 3 364.420 4.315 20 0 FIADHM CCCN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606714603 1115965252 /nfs/dbraw/zinc/96/52/52/1115965252.db2.gz MCKXWILOSFGFSL-UHFFFAOYSA-N -1 3 368.811 4.446 20 0 FIADHM CC(C)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1 ZINC000606753728 1115967613 /nfs/dbraw/zinc/96/76/13/1115967613.db2.gz MSURYRMUMPKJSK-UHFFFAOYSA-N -1 3 362.470 4.350 20 0 FIADHM O=S(=O)([N-]CCc1cc2ccccc2o1)c1cccc(Cl)c1Cl ZINC000606906252 1115981694 /nfs/dbraw/zinc/98/16/94/1115981694.db2.gz NGHQBAAZPIJHDP-UHFFFAOYSA-N -1 3 370.257 4.261 20 0 FIADHM O=C(C/C=C\c1cccc(F)c1)Nc1cc(Br)ccc1[O-] ZINC000533965794 1116054902 /nfs/dbraw/zinc/05/49/02/1116054902.db2.gz WFSLUXHMWPOPSJ-RQOWECAXSA-N -1 3 350.187 4.336 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2ccccc2Cl)CCOCC1 ZINC000533971370 1116093934 /nfs/dbraw/zinc/09/39/34/1116093934.db2.gz XASQKUZWWYQBFS-UHFFFAOYSA-N -1 3 366.244 4.386 20 0 FIADHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000173879909 1116096412 /nfs/dbraw/zinc/09/64/12/1116096412.db2.gz MUBYHFCUGQXXBJ-HNNXBMFYSA-N -1 3 368.886 4.283 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1C ZINC000608955834 1116139856 /nfs/dbraw/zinc/13/98/56/1116139856.db2.gz QCMWVORJLXERAY-UHFFFAOYSA-N -1 3 351.493 4.058 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1C ZINC000609015608 1116140546 /nfs/dbraw/zinc/14/05/46/1116140546.db2.gz BRVYEHHDQTXZPX-UHFFFAOYSA-N -1 3 365.520 4.018 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1C ZINC000609016131 1116140563 /nfs/dbraw/zinc/14/05/63/1116140563.db2.gz ZYLWKPPHGVMIIW-UHFFFAOYSA-N -1 3 365.520 4.018 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c(C)c1 ZINC000609015887 1116140568 /nfs/dbraw/zinc/14/05/68/1116140568.db2.gz KMRIWABUSOQUTI-UHFFFAOYSA-N -1 3 365.520 4.018 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2sccc2Br)c1F ZINC000534035312 1116148529 /nfs/dbraw/zinc/14/85/29/1116148529.db2.gz QEIMCTQFHKUFET-UHFFFAOYSA-N -1 3 362.195 4.440 20 0 FIADHM O=C(Nc1ccc(OC(F)F)c2cccnc12)c1cc([O-])ccc1Cl ZINC000501066256 1116199994 /nfs/dbraw/zinc/19/99/94/1116199994.db2.gz JLHBSZRFPPGSSP-UHFFFAOYSA-N -1 3 364.735 4.448 20 0 FIADHM COC[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000457025122 1116241164 /nfs/dbraw/zinc/24/11/64/1116241164.db2.gz DJXJRWFQIASSCH-FQEVSTJZSA-N -1 3 367.489 4.066 20 0 FIADHM Cc1nc(-c2ccc(NCc3c(F)cccc3Cl)nc2)[n-]c(=O)c1C ZINC000462386752 1116344529 /nfs/dbraw/zinc/34/45/29/1116344529.db2.gz CQYNKZINMHAXEY-UHFFFAOYSA-N -1 3 358.804 4.266 20 0 FIADHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1cccs1 ZINC000462497694 1116362053 /nfs/dbraw/zinc/36/20/53/1116362053.db2.gz YWBBPFVLFNHKHQ-SNVBAGLBSA-N -1 3 364.319 4.212 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)o1 ZINC000540212748 1117939312 /nfs/dbraw/zinc/93/93/12/1117939312.db2.gz LQGQVTKBWPSMAA-OAHLLOKOSA-N -1 3 361.385 4.282 20 0 FIADHM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000463059943 1117947062 /nfs/dbraw/zinc/94/70/62/1117947062.db2.gz GNKHCWQRXNEPKU-AOMKIAJQSA-N -1 3 360.457 4.218 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)n1 ZINC000540409181 1118037828 /nfs/dbraw/zinc/03/78/28/1118037828.db2.gz ZVPKUOKXATUZIC-LJQANCHMSA-N -1 3 369.415 4.096 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1Cl ZINC000463526316 1118193411 /nfs/dbraw/zinc/19/34/11/1118193411.db2.gz YJNLZWYPGOCLJZ-UHFFFAOYSA-N -1 3 367.801 4.280 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)c(F)c1 ZINC000540722644 1118207038 /nfs/dbraw/zinc/20/70/38/1118207038.db2.gz MYAFIXJUCGLVND-UHFFFAOYSA-N -1 3 369.421 4.031 20 0 FIADHM CCCc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1-c1ccc(F)cc1 ZINC000541158486 1118405244 /nfs/dbraw/zinc/40/52/44/1118405244.db2.gz DOBWTCCDSQASDD-UHFFFAOYSA-N -1 3 357.360 4.061 20 0 FIADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1c(F)cccc1Cl ZINC000464139406 1118450836 /nfs/dbraw/zinc/45/08/36/1118450836.db2.gz HPIODGZCGGKOPU-UHFFFAOYSA-N -1 3 372.827 4.028 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[C@H](C)[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000541787104 1118646343 /nfs/dbraw/zinc/64/63/43/1118646343.db2.gz HPEJVCLGZKGOFB-OGHNNQOOSA-N -1 3 354.454 4.104 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC[C@H](C)CC)nc(=O)c2c1C ZINC000464795886 1118700967 /nfs/dbraw/zinc/70/09/67/1118700967.db2.gz SCYMZYLUIRDIOI-MWLCHTKSSA-N -1 3 368.524 4.310 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000465183271 1118870680 /nfs/dbraw/zinc/87/06/80/1118870680.db2.gz KLWSSLZSPIMWCC-IBGZPJMESA-N -1 3 360.404 4.401 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000465183288 1118870936 /nfs/dbraw/zinc/87/09/36/1118870936.db2.gz KSDBYPUEBCMBPX-UHFFFAOYSA-N -1 3 358.388 4.059 20 0 FIADHM CCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1OCC ZINC000030058207 1118971164 /nfs/dbraw/zinc/97/11/64/1118971164.db2.gz AESBLMWGPNCBMJ-QGOAFFKASA-N -1 3 365.429 4.075 20 0 FIADHM COc1cc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)cc(OC)c1[O-] ZINC000492033002 1119006788 /nfs/dbraw/zinc/00/67/88/1119006788.db2.gz JWPGYHBBURVROO-QGZVFWFLSA-N -1 3 361.482 4.375 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1 ZINC000176595574 1119283993 /nfs/dbraw/zinc/28/39/93/1119283993.db2.gz AUXAHKLTYNJHAR-UHFFFAOYSA-N -1 3 363.489 4.153 20 0 FIADHM COc1csc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)c1 ZINC000176809472 1119295781 /nfs/dbraw/zinc/29/57/81/1119295781.db2.gz PNSAEXAYAIISPM-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM CC[C@@](C)([N-]S(=O)(=O)c1cscc1C(F)F)c1nc(C)cs1 ZINC000914183456 1119441072 /nfs/dbraw/zinc/44/10/72/1119441072.db2.gz WAOPJQJXAHXDHW-CYBMUJFWSA-N -1 3 366.480 4.054 20 0 FIADHM COc1cc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)cc(OC)c1[O-] ZINC000183606492 1119578009 /nfs/dbraw/zinc/57/80/09/1119578009.db2.gz PNGVSXFWVZNXEJ-KRWDZBQOSA-N -1 3 355.434 4.071 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000189106717 1119837139 /nfs/dbraw/zinc/83/71/39/1119837139.db2.gz JHXUBWFRMUAFFD-VOTSOKGWSA-N -1 3 358.423 4.049 20 0 FIADHM O=c1nc(CSCC[C@H]2CCCO2)[n-]c2scc(-c3ccco3)c21 ZINC000190006587 1119923556 /nfs/dbraw/zinc/92/35/56/1119923556.db2.gz UQSLRPKGZPBWMJ-LLVKDONJSA-N -1 3 362.476 4.047 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000191273270 1119968962 /nfs/dbraw/zinc/96/89/62/1119968962.db2.gz RTENVTFDDMCXQG-UHFFFAOYSA-N -1 3 352.891 4.439 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000191846103 1119998676 /nfs/dbraw/zinc/99/86/76/1119998676.db2.gz NTNJKJPXWXMHEP-UHFFFAOYSA-N -1 3 357.416 4.274 20 0 FIADHM Cc1ccc([C@H](NCc2cnc(C)[n-]c2=O)c2ccccc2Cl)cc1 ZINC000542498873 1120209192 /nfs/dbraw/zinc/20/91/92/1120209192.db2.gz JIBOQPZPTPMYRB-IBGZPJMESA-N -1 3 353.853 4.332 20 0 FIADHM O=C([O-])[C@H](NCc1cc(Br)c(Cl)s1)c1ccccc1 ZINC000227825096 1120399014 /nfs/dbraw/zinc/39/90/14/1120399014.db2.gz JJIDXPZBDUFVPA-LLVKDONJSA-N -1 3 360.660 4.080 20 0 FIADHM O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1cc(Cl)c(Cl)[n-]1 ZINC000914625113 1120431045 /nfs/dbraw/zinc/43/10/45/1120431045.db2.gz SDWZCJBWKNEDKH-UHFFFAOYSA-N -1 3 372.595 4.382 20 0 FIADHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1 ZINC000761908068 1120575895 /nfs/dbraw/zinc/57/58/95/1120575895.db2.gz NJIDJCUQAVMRKC-ZHACJKMWSA-N -1 3 353.390 4.052 20 0 FIADHM COc1ccccc1NC(=O)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(C)C ZINC000914891850 1120630618 /nfs/dbraw/zinc/63/06/18/1120630618.db2.gz PKVJPRLBBZYPHJ-MRXNPFEDSA-N -1 3 372.446 4.058 20 0 FIADHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)o1 ZINC000053482288 1120654964 /nfs/dbraw/zinc/65/49/64/1120654964.db2.gz PLYPNGRBLCSJPW-SUMWQHHRSA-N -1 3 362.429 4.049 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(F)c1Cl ZINC000495391543 1120777700 /nfs/dbraw/zinc/77/77/00/1120777700.db2.gz PWSLQTRQFRGJTM-UHFFFAOYSA-N -1 3 373.609 4.269 20 0 FIADHM COc1cc(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)cc(OC)c1[O-] ZINC000495427722 1120802596 /nfs/dbraw/zinc/80/25/96/1120802596.db2.gz RSOQJCVNJFQLGS-SFHVURJKSA-N -1 3 369.461 4.461 20 0 FIADHM O=C(/C=C/c1ccc2ccccc2n1)Nc1ccc(Br)cc1[O-] ZINC000915198478 1120865813 /nfs/dbraw/zinc/86/58/13/1120865813.db2.gz ISFQZGCROWOXTE-CSKARUKUSA-N -1 3 369.218 4.355 20 0 FIADHM CC(C)CN(C(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)cc1 ZINC000762550886 1120927499 /nfs/dbraw/zinc/92/74/99/1120927499.db2.gz TUGPLAGIIALQKX-UHFFFAOYSA-N -1 3 355.825 4.292 20 0 FIADHM CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1OC(F)F ZINC000053808070 1120977100 /nfs/dbraw/zinc/97/71/00/1120977100.db2.gz AIEJBOWRTYNMRI-HNNXBMFYSA-N -1 3 372.371 4.011 20 0 FIADHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471943098 1121176865 /nfs/dbraw/zinc/17/68/65/1121176865.db2.gz UWCCQTMUBNBHFA-IBGZPJMESA-N -1 3 361.441 4.401 20 0 FIADHM CSc1cc2c(cc1NC(=O)c1cc([O-])c3ccccc3c1)OCCO2 ZINC000471968307 1121177796 /nfs/dbraw/zinc/17/77/96/1121177796.db2.gz VNVBHMSUGWMDOM-UHFFFAOYSA-N -1 3 367.426 4.291 20 0 FIADHM O=C(NCc1csc(Br)c1)c1cc2sccc2c([O-])c1 ZINC001626055511 1121182178 /nfs/dbraw/zinc/18/21/78/1121182178.db2.gz HQQURHGVYNEVIM-UHFFFAOYSA-N -1 3 368.277 4.361 20 0 FIADHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472089803 1121183498 /nfs/dbraw/zinc/18/34/98/1121183498.db2.gz ILOHBYXEWLWFKK-CQSZACIVSA-N -1 3 359.429 4.406 20 0 FIADHM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cc([O-])c2ccccc2c1 ZINC000472164493 1121193142 /nfs/dbraw/zinc/19/31/42/1121193142.db2.gz XKBNBNMLPOVJHX-GOSISDBHSA-N -1 3 364.420 4.083 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCC(C)C)cc2)cc1 ZINC000046462633 1121279219 /nfs/dbraw/zinc/27/92/19/1121279219.db2.gz OMVIDDTVRPGVPR-UHFFFAOYSA-N -1 3 360.479 4.171 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000056276622 1121324515 /nfs/dbraw/zinc/32/45/15/1121324515.db2.gz HVTKYIYPAPXMRI-OAHLLOKOSA-N -1 3 366.848 4.029 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(C)s1 ZINC000032532015 1121331565 /nfs/dbraw/zinc/33/15/65/1121331565.db2.gz DEVPQRBTVGBPFL-UHFFFAOYSA-N -1 3 364.261 4.067 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1OC ZINC000032532025 1121332351 /nfs/dbraw/zinc/33/23/51/1121332351.db2.gz HRCRWCIPVUJYOW-UHFFFAOYSA-N -1 3 363.479 4.093 20 0 FIADHM COc1cc(NC(=O)c2cccc(C)c2[O-])ccc1NC(=O)OC(C)(C)C ZINC000916431112 1121505064 /nfs/dbraw/zinc/50/50/64/1121505064.db2.gz BPOCCLKMTUYDTG-UHFFFAOYSA-N -1 3 372.421 4.309 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)C3Cc4ccccc4C3)nc(=O)c2c1C ZINC000763390730 1121569777 /nfs/dbraw/zinc/56/97/77/1121569777.db2.gz BTOBSXIRGBSHHZ-NSHDSACASA-N -1 3 368.458 4.033 20 0 FIADHM CCCCOCCOCc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000063620403 1121573329 /nfs/dbraw/zinc/57/33/29/1121573329.db2.gz BKELHOHWSIPNCS-UHFFFAOYSA-N -1 3 357.450 4.286 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c(C)c1 ZINC000063849512 1121591043 /nfs/dbraw/zinc/59/10/43/1121591043.db2.gz XSZWRNRPLOPFIY-UHFFFAOYSA-N -1 3 363.479 4.038 20 0 FIADHM O=C(NCC1(c2cccs2)CCCCC1)c1c[n-]c2ccccc2c1=O ZINC000124550964 1121702977 /nfs/dbraw/zinc/70/29/77/1121702977.db2.gz KSDMBRJOVCAJPI-UHFFFAOYSA-N -1 3 366.486 4.222 20 0 FIADHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125348871 1121770893 /nfs/dbraw/zinc/77/08/93/1121770893.db2.gz KDACNQITXCYBBY-UHFFFAOYSA-N -1 3 369.387 4.062 20 0 FIADHM Cc1csc(-c2cccc(NCc3nc(C(F)(F)F)cc(=O)[n-]3)c2)n1 ZINC000125670256 1121803922 /nfs/dbraw/zinc/80/39/22/1121803922.db2.gz BOVMDOCLBXHYSB-UHFFFAOYSA-N -1 3 366.368 4.245 20 0 FIADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3scnc3C3CC3)s2)c1 ZINC000125787322 1121836497 /nfs/dbraw/zinc/83/64/97/1121836497.db2.gz XEXJOQBLGZBQSD-UHFFFAOYSA-N -1 3 356.476 4.408 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3cccc(Oc4ccccn4)c3)n[n-]2)o1 ZINC000916861608 1121898746 /nfs/dbraw/zinc/89/87/46/1121898746.db2.gz CWPCRWVGQQNEQD-UHFFFAOYSA-N -1 3 361.357 4.385 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3cccc(Oc4ccccn4)c3)[n-]n2)o1 ZINC000916861608 1121898758 /nfs/dbraw/zinc/89/87/58/1121898758.db2.gz CWPCRWVGQQNEQD-UHFFFAOYSA-N -1 3 361.357 4.385 20 0 FIADHM O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000126103756 1121919626 /nfs/dbraw/zinc/91/96/26/1121919626.db2.gz HVRLFAYMURLYMD-UHFFFAOYSA-N -1 3 370.792 4.250 20 0 FIADHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000126464820 1121957874 /nfs/dbraw/zinc/95/78/74/1121957874.db2.gz NYVYFWRLGILARI-UHFFFAOYSA-N -1 3 368.188 4.081 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1C ZINC000126766856 1121985462 /nfs/dbraw/zinc/98/54/62/1121985462.db2.gz LBQZNZJCHZXKMH-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM Cc1ccc(CN(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)o1 ZINC000127184303 1122060691 /nfs/dbraw/zinc/06/06/91/1122060691.db2.gz OXCHSZZFMVZZKB-UHFFFAOYSA-N -1 3 370.474 4.021 20 0 FIADHM CNC(=O)c1ccc(CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000066746989 1122091756 /nfs/dbraw/zinc/09/17/56/1122091756.db2.gz QTZANESNGNFXLT-UHFFFAOYSA-N -1 3 374.466 4.073 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C(F)(F)F)CCCC3)nc2)n1 ZINC000624707185 1122152564 /nfs/dbraw/zinc/15/25/64/1122152564.db2.gz MLHBIBLSDXFOFJ-UHFFFAOYSA-N -1 3 366.387 4.341 20 0 FIADHM Cc1nc(-c2cccs2)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000067551573 1122172214 /nfs/dbraw/zinc/17/22/14/1122172214.db2.gz RIMYODYSCOMXAY-UHFFFAOYSA-N -1 3 358.420 4.221 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc([C@H](CC)c3ccccc3)s2)s1 ZINC000106719585 1122236953 /nfs/dbraw/zinc/23/69/53/1122236953.db2.gz VZUMXUUVEJBQIU-GFCCVEGCSA-N -1 3 358.492 4.351 20 0 FIADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000055567364 1122254246 /nfs/dbraw/zinc/25/42/46/1122254246.db2.gz FRFRSPNCWZILEF-UHFFFAOYSA-N -1 3 366.870 4.044 20 0 FIADHM CC(C)(C)c1ncc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)s1 ZINC000107196972 1122262757 /nfs/dbraw/zinc/26/27/57/1122262757.db2.gz WDPZSIZIEGTSFF-UHFFFAOYSA-N -1 3 358.492 4.135 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000765845516 1122295442 /nfs/dbraw/zinc/29/54/42/1122295442.db2.gz XFJQPPSJQCYNFP-NSHDSACASA-N -1 3 367.371 4.226 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1 ZINC000917409933 1122298964 /nfs/dbraw/zinc/29/89/64/1122298964.db2.gz ZUGFBIRQQSWBTO-ZDUSSCGKSA-N -1 3 357.431 4.107 20 0 FIADHM Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc([O-])c1F ZINC000128500404 1122318853 /nfs/dbraw/zinc/31/88/53/1122318853.db2.gz HPRAFWMYNUBNLB-UHFFFAOYSA-N -1 3 373.409 4.076 20 0 FIADHM O=C(CCCc1ccc(Br)s1)Nc1cccc([O-])c1F ZINC000128504839 1122322394 /nfs/dbraw/zinc/32/23/94/1122322394.db2.gz FQFNMACSGGDELJ-UHFFFAOYSA-N -1 3 358.232 4.317 20 0 FIADHM Cc1ccc(OCc2cccc(C(=O)Nc3cccc([O-])c3F)c2)cn1 ZINC000128663471 1122369847 /nfs/dbraw/zinc/36/98/47/1122369847.db2.gz IVAPVKJVVXDGAM-UHFFFAOYSA-N -1 3 352.365 4.066 20 0 FIADHM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000497786494 1122411486 /nfs/dbraw/zinc/41/14/86/1122411486.db2.gz YKCSOOUZRZDMIW-KSSFIOAISA-N -1 3 372.440 4.223 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CC)OC3CCCC3)c2)n1 ZINC000497838098 1122431802 /nfs/dbraw/zinc/43/18/02/1122431802.db2.gz XFAMFHKUFHHTCM-GOSISDBHSA-N -1 3 369.465 4.088 20 0 FIADHM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc([O-])c2F)CC1=O ZINC000128988614 1122485078 /nfs/dbraw/zinc/48/50/78/1122485078.db2.gz WNULWYVCKLJEKD-ZIAGYGMSSA-N -1 3 370.424 4.036 20 0 FIADHM CCc1cc2c(CNc3ccc(OC(C)C)cc3)cc(=O)oc2cc1[O-] ZINC000917936218 1122491674 /nfs/dbraw/zinc/49/16/74/1122491674.db2.gz WBLQMVDAPJKXRA-UHFFFAOYSA-N -1 3 353.418 4.460 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000498011265 1122513139 /nfs/dbraw/zinc/51/31/39/1122513139.db2.gz GKOVAGZXIZXWDN-UHFFFAOYSA-N -1 3 357.834 4.376 20 0 FIADHM CC(C)c1csc2nc(-c3ccnc(OCC(F)(F)F)c3)[n-]c(=O)c12 ZINC000069980616 1122703435 /nfs/dbraw/zinc/70/34/35/1122703435.db2.gz FPECOSUXSMSHRV-UHFFFAOYSA-N -1 3 369.368 4.111 20 0 FIADHM COc1ccc(C[C@@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000556341005 1122822039 /nfs/dbraw/zinc/82/20/39/1122822039.db2.gz IEOZMOQQSKHXLT-HNNXBMFYSA-N -1 3 359.853 4.149 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(Cc2cccc(F)c2)CCOCC1 ZINC000556676971 1123035899 /nfs/dbraw/zinc/03/58/99/1123035899.db2.gz CEHNROUZPSSTPD-UHFFFAOYSA-N -1 3 363.816 4.163 20 0 FIADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000919776576 1123132714 /nfs/dbraw/zinc/13/27/14/1123132714.db2.gz XEULXXJCKCWBAH-GFCCVEGCSA-N -1 3 368.462 4.410 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)[n-]1 ZINC000499045302 1123167148 /nfs/dbraw/zinc/16/71/48/1123167148.db2.gz YZSKIQAPXFLCPR-UHFFFAOYSA-N -1 3 371.343 4.075 20 0 FIADHM CN(CCCc1cccc2ccccc21)Cc1nc(=O)c2sccc2[n-]1 ZINC000131881960 1123196777 /nfs/dbraw/zinc/19/67/77/1123196777.db2.gz FYHKJRFXUHQRSV-UHFFFAOYSA-N -1 3 363.486 4.202 20 0 FIADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)Cc1cccc(Cl)c1 ZINC000132156110 1123224136 /nfs/dbraw/zinc/22/41/36/1123224136.db2.gz CBCAQNCUABILFF-UHFFFAOYSA-N -1 3 368.864 4.180 20 0 FIADHM O=C(CCCCc1nc2ccccc2s1)NCc1ccc([O-])c(F)c1 ZINC000133153845 1123436089 /nfs/dbraw/zinc/43/60/89/1123436089.db2.gz BYNQYXIVVLJIPV-UHFFFAOYSA-N -1 3 358.438 4.170 20 0 FIADHM Cc1ccc(Cc2nc(C(=O)[N-]c3nnc(C(C)C)s3)cs2)cc1 ZINC000133665698 1123509378 /nfs/dbraw/zinc/50/93/78/1123509378.db2.gz ZXXQRWOMKAWEDD-UHFFFAOYSA-N -1 3 358.492 4.270 20 0 FIADHM O=C([N-]Cc1ccc(Br)s1)C(F)(F)c1ccc(F)cc1 ZINC000920845021 1123528501 /nfs/dbraw/zinc/52/85/01/1123528501.db2.gz JNRJIVIOQDIRAE-UHFFFAOYSA-N -1 3 364.186 4.058 20 0 FIADHM CCCCCCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000920972722 1123547725 /nfs/dbraw/zinc/54/77/25/1123547725.db2.gz PEQQUSVPWUVPKI-UHFFFAOYSA-N -1 3 356.348 4.035 20 0 FIADHM CCCCCCOc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000920972722 1123547730 /nfs/dbraw/zinc/54/77/30/1123547730.db2.gz PEQQUSVPWUVPKI-UHFFFAOYSA-N -1 3 356.348 4.035 20 0 FIADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)c1 ZINC000921205783 1123589460 /nfs/dbraw/zinc/58/94/60/1123589460.db2.gz JTCZFNBOMZSIPU-UHFFFAOYSA-N -1 3 372.490 4.070 20 0 FIADHM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134203789 1123604933 /nfs/dbraw/zinc/60/49/33/1123604933.db2.gz LCYSAAXHAKSKRG-UHFFFAOYSA-N -1 3 361.323 4.157 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1SCCc2sccc21 ZINC000134221034 1123609541 /nfs/dbraw/zinc/60/95/41/1123609541.db2.gz KORXNNUXKKVRIR-ZDUSSCGKSA-N -1 3 359.394 4.442 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccccc1OC(F)F ZINC000135637662 1123781548 /nfs/dbraw/zinc/78/15/48/1123781548.db2.gz KBWQWUDEFONROI-UHFFFAOYSA-N -1 3 368.188 4.396 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c([O-])c1 ZINC000078551628 1123787388 /nfs/dbraw/zinc/78/73/88/1123787388.db2.gz BRCPLACVZCMSEE-UHFFFAOYSA-N -1 3 367.449 4.361 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2cc3c(C(C)C)nn(C)c3s2)s1 ZINC000079691080 1123916217 /nfs/dbraw/zinc/91/62/17/1123916217.db2.gz DCWQOYRFMKVUHD-UHFFFAOYSA-N -1 3 363.512 4.061 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)c(Br)c1)c1ccccc1 ZINC000137121526 1123962807 /nfs/dbraw/zinc/96/28/07/1123962807.db2.gz HEUWKOVGMYDUBR-CQSZACIVSA-N -1 3 354.631 4.018 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)cc1 ZINC000080942128 1123978044 /nfs/dbraw/zinc/97/80/44/1123978044.db2.gz ZFWNWRWIHRLHCQ-AWEZNQCLSA-N -1 3 374.506 4.011 20 0 FIADHM COCc1ncsc1C(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000670765179 1124027891 /nfs/dbraw/zinc/02/78/91/1124027891.db2.gz QNNNVXIGANXCIU-UHFFFAOYSA-N -1 3 362.398 4.196 20 0 FIADHM Cc1ccccc1C1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC001212274101 1124120727 /nfs/dbraw/zinc/12/07/27/1124120727.db2.gz FIGNTQLHHLBELB-UHFFFAOYSA-N -1 3 362.303 4.331 20 0 FIADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1ccc(Cl)s1 ZINC000108206945 1124259579 /nfs/dbraw/zinc/25/95/79/1124259579.db2.gz CLPQZTDTGNQDJC-UHFFFAOYSA-N -1 3 353.831 4.235 20 0 FIADHM O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1cc([O-])ccc1Cl ZINC000616883626 1124403331 /nfs/dbraw/zinc/40/33/31/1124403331.db2.gz NAFUTXKBHTZYIZ-SFHVURJKSA-N -1 3 359.853 4.069 20 0 FIADHM CCN(Cc1cccs1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000139277613 1124481132 /nfs/dbraw/zinc/48/11/32/1124481132.db2.gz YKVPSSRZSLUTKI-UHFFFAOYSA-N -1 3 371.487 4.328 20 0 FIADHM COc1cc(Cl)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000084633049 1124592525 /nfs/dbraw/zinc/59/25/25/1124592525.db2.gz ZMYHRBRVHFSYBZ-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM CCc1cc2c(CSc3nnc(C4CC4)s3)cc(=O)oc2cc1[O-] ZINC000074795332 1124818371 /nfs/dbraw/zinc/81/83/71/1124818371.db2.gz QTIUKSJMINCMNT-UHFFFAOYSA-N -1 3 360.460 4.082 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)[n-]1 ZINC000617873516 1124910233 /nfs/dbraw/zinc/91/02/33/1124910233.db2.gz ALJKTEZTDCHHPY-UHFFFAOYSA-N -1 3 373.409 4.015 20 0 FIADHM CCOC(=O)c1nc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)c[n-]1 ZINC000617873516 1124910236 /nfs/dbraw/zinc/91/02/36/1124910236.db2.gz ALJKTEZTDCHHPY-UHFFFAOYSA-N -1 3 373.409 4.015 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000064343174 1124990212 /nfs/dbraw/zinc/99/02/12/1124990212.db2.gz IFENFFKWTNPLGJ-UHFFFAOYSA-N -1 3 373.334 4.016 20 0 FIADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000465982327 1125164966 /nfs/dbraw/zinc/16/49/66/1125164966.db2.gz MJYGVTNZNUNXRT-PSZVPEGOSA-N -1 3 362.832 4.381 20 0 FIADHM COc1cc(-c2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)ccc1[O-] ZINC000017309225 204654049 /nfs/dbraw/zinc/65/40/49/204654049.db2.gz HFYNSZNICBUYJL-UHFFFAOYSA-N -1 3 350.399 4.033 20 0 FIADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1cccc(Cl)c1Cl ZINC000040721688 205076756 /nfs/dbraw/zinc/07/67/56/205076756.db2.gz QRRUZDUMDGWHPN-INIZCTEOSA-N -1 3 363.244 4.260 20 0 FIADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(C)cc1[O-] ZINC000046670031 205138205 /nfs/dbraw/zinc/13/82/05/205138205.db2.gz AIWNPQSOMWBQSQ-UHFFFAOYSA-N -1 3 356.422 4.448 20 0 FIADHM C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1[O-] ZINC000048345545 205159663 /nfs/dbraw/zinc/15/96/63/205159663.db2.gz YOPBJSBAWZWSQL-JTQLQIEISA-N -1 3 352.253 4.274 20 0 FIADHM C[C@@H](c1cc(F)ccc1F)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053126550 205190834 /nfs/dbraw/zinc/19/08/34/205190834.db2.gz SYNXRLCARBYDJM-NSHDSACASA-N -1 3 369.371 4.141 20 0 FIADHM Cc1ccc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1C ZINC000051468130 567979623 /nfs/dbraw/zinc/97/96/23/567979623.db2.gz SXHIMYNUXKVLPM-WIYYLYMNSA-N -1 3 353.462 4.249 20 0 FIADHM COC(=O)c1scc(C)c1[N-]C(=O)c1cnc(-c2ccsc2)s1 ZINC000186937365 568024677 /nfs/dbraw/zinc/02/46/77/568024677.db2.gz DHCWBPCGBVGNAR-UHFFFAOYSA-N -1 3 364.473 4.280 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1 ZINC000522757136 568045345 /nfs/dbraw/zinc/04/53/45/568045345.db2.gz ZYUQJSNPPOLAEK-UHFFFAOYSA-N -1 3 365.473 4.307 20 0 FIADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000603502419 568109009 /nfs/dbraw/zinc/10/90/09/568109009.db2.gz KXCVXAPOFXPTJK-PWSUYJOCSA-N -1 3 374.289 4.329 20 0 FIADHM CC(C)c1cc(C(=O)NCc2cc3c([nH]c2=O)CCC3)c([O-])c(C(C)C)c1 ZINC000603550063 568118251 /nfs/dbraw/zinc/11/82/51/568118251.db2.gz LHAVZDTUOLUWIG-UHFFFAOYSA-N -1 3 368.477 4.158 20 0 FIADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000603587720 568123172 /nfs/dbraw/zinc/12/31/72/568123172.db2.gz JMXCRENXGGVGHO-AWEZNQCLSA-N -1 3 374.400 4.138 20 0 FIADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000603587720 568123173 /nfs/dbraw/zinc/12/31/73/568123173.db2.gz JMXCRENXGGVGHO-AWEZNQCLSA-N -1 3 374.400 4.138 20 0 FIADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000603587720 568123174 /nfs/dbraw/zinc/12/31/74/568123174.db2.gz JMXCRENXGGVGHO-AWEZNQCLSA-N -1 3 374.400 4.138 20 0 FIADHM COc1ccsc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000604083195 568209393 /nfs/dbraw/zinc/20/93/93/568209393.db2.gz UXBFRCGYVLRZNE-UHFFFAOYSA-N -1 3 368.245 4.128 20 0 FIADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cccc(Cl)c1Cl ZINC000604149041 568217163 /nfs/dbraw/zinc/21/71/63/568217163.db2.gz QFTDKZSQOYIDOA-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000604266519 568237456 /nfs/dbraw/zinc/23/74/56/568237456.db2.gz JXKRBEVWPRCIJY-YOEHRIQHSA-N -1 3 372.465 4.162 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc(F)c(Cl)c1 ZINC000008377038 568307193 /nfs/dbraw/zinc/30/71/93/568307193.db2.gz AXIITXOVHSWXQD-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM C[C@H](c1ccccc1)N1CCC(N=c2[n-]nc(-c3ccccc3)s2)CC1 ZINC000604757361 568365240 /nfs/dbraw/zinc/36/52/40/568365240.db2.gz ADGUYWSHHFGFLV-MRXNPFEDSA-N -1 3 364.518 4.265 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)COCc2nc3ccccc3s2)c1[O-] ZINC000604901699 568384852 /nfs/dbraw/zinc/38/48/52/568384852.db2.gz XMZAWEAWFNIGPO-UHFFFAOYSA-N -1 3 362.838 4.119 20 0 FIADHM CCOc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000604901832 568385031 /nfs/dbraw/zinc/38/50/31/568385031.db2.gz SZODOJUAEQMBGB-UHFFFAOYSA-N -1 3 361.825 4.354 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)Cc2ccccc2Br)c1[O-] ZINC000604901956 568385076 /nfs/dbraw/zinc/38/50/76/568385076.db2.gz KMSBXGDAWGLVJT-UHFFFAOYSA-N -1 3 354.631 4.298 20 0 FIADHM Fc1ccc(Br)cc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000604932474 568395077 /nfs/dbraw/zinc/39/50/77/568395077.db2.gz NEUJCLJSCUKWNM-UHFFFAOYSA-N -1 3 365.231 4.061 20 0 FIADHM CC[C@@H](C)c1ccc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000604933203 568395477 /nfs/dbraw/zinc/39/54/77/568395477.db2.gz LLMWSZBDMYHKQZ-CYBMUJFWSA-N -1 3 352.463 4.355 20 0 FIADHM Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)c([O-])c1 ZINC000007284572 568489754 /nfs/dbraw/zinc/48/97/54/568489754.db2.gz RYQIVRGIPOCLAX-UHFFFAOYSA-N -1 3 367.474 4.234 20 0 FIADHM CSc1cc2c(cc1[N-]C(=O)c1c(F)ccc(C)c1F)OCCO2 ZINC000499641814 1125513069 /nfs/dbraw/zinc/51/30/69/1125513069.db2.gz DRVAYDBGUQAODM-UHFFFAOYSA-N -1 3 351.374 4.019 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2cc3sc4ccccc4c3s2)[n-]1 ZINC000619446670 1125592208 /nfs/dbraw/zinc/59/22/08/1125592208.db2.gz SWSSBZHAWAAXHE-UHFFFAOYSA-N -1 3 371.443 4.268 20 0 FIADHM CCOC(=O)c1nc(NC(=O)c2cc3sc4ccccc4c3s2)c[n-]1 ZINC000619446670 1125592212 /nfs/dbraw/zinc/59/22/12/1125592212.db2.gz SWSSBZHAWAAXHE-UHFFFAOYSA-N -1 3 371.443 4.268 20 0 FIADHM COc1cc(/C=C/C(=O)c2cccc(F)c2F)cc(Br)c1[O-] ZINC000182724430 1125605808 /nfs/dbraw/zinc/60/58/08/1125605808.db2.gz QNIWVWKWDMLWBE-AATRIKPKSA-N -1 3 369.161 4.338 20 0 FIADHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1 ZINC000182783189 1125624253 /nfs/dbraw/zinc/62/42/53/1125624253.db2.gz GRKLKCOJLNYLCZ-IUODEOHRSA-N -1 3 355.825 4.210 20 0 FIADHM Cc1cc(C)c2ncc(C(=O)[O-])c(N3CCC(OC4CCC4)CC3)c2c1 ZINC000579716415 1079567439 /nfs/dbraw/zinc/56/74/39/1079567439.db2.gz ORBAXMDPEBDUFD-UHFFFAOYSA-N -1 3 354.450 4.088 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC3CCCC3)cc2)cc1 ZINC000301316016 1079648298 /nfs/dbraw/zinc/64/82/98/1079648298.db2.gz SGEILIGRMKGKKG-UHFFFAOYSA-N -1 3 372.490 4.315 20 0 FIADHM O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1[O-] ZINC000153569983 1079728115 /nfs/dbraw/zinc/72/81/15/1079728115.db2.gz OKQPZOOVNPHNOR-UHFFFAOYSA-N -1 3 357.797 4.057 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(OC3CCCC3)c2)cc1 ZINC000683170763 1079797765 /nfs/dbraw/zinc/79/77/65/1079797765.db2.gz ADIZRXQVZMRKFI-NRFANRHFSA-N -1 3 369.461 4.322 20 0 FIADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)ccc1Cl ZINC000683175303 1079822587 /nfs/dbraw/zinc/82/25/87/1079822587.db2.gz UEOABKNXPGEHQV-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc(Br)s1 ZINC000109108807 1080046753 /nfs/dbraw/zinc/04/67/53/1080046753.db2.gz LSRVKGWHRYJLLA-UHFFFAOYSA-N -1 3 372.294 4.343 20 0 FIADHM COc1cc(CNC(=O)c2c(C)cccc2[O-])ccc1OCCC(C)C ZINC001625854262 1080654425 /nfs/dbraw/zinc/65/44/25/1080654425.db2.gz ZHXHBMWKFPLEKL-UHFFFAOYSA-N -1 3 357.450 4.064 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1NC(=O)NCc1ncccc1[O-] ZINC000471276988 1080786694 /nfs/dbraw/zinc/78/66/94/1080786694.db2.gz IASWHSAHCKIDEP-UHFFFAOYSA-N -1 3 351.859 4.263 20 0 FIADHM CC(C)[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)c2ccccc2N1 ZINC000471278483 1080793806 /nfs/dbraw/zinc/79/38/06/1080793806.db2.gz PCLMYJUOEBZXHJ-GOSISDBHSA-N -1 3 356.441 4.337 20 0 FIADHM CC(C)n1cc2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2n1 ZINC000471306752 1080945413 /nfs/dbraw/zinc/94/54/13/1080945413.db2.gz JGKZQOKQCPRJTQ-UHFFFAOYSA-N -1 3 355.413 4.423 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)sc1C ZINC000683574874 1081140254 /nfs/dbraw/zinc/14/02/54/1081140254.db2.gz YKRYCHXHOWAFAV-UHFFFAOYSA-N -1 3 364.883 4.108 20 0 FIADHM Cc1ccc(Oc2ccccc2CCNC(=O)c2c([O-])cccc2O)cc1 ZINC001648846644 1081287653 /nfs/dbraw/zinc/28/76/53/1081287653.db2.gz FSLCBKBFPIMZHA-UHFFFAOYSA-N -1 3 363.413 4.171 20 0 FIADHM O=c1[n-]c(CN2CCN(C3CC3)c3ccccc32)nc2c3ccccc3oc21 ZINC000547974147 1081297722 /nfs/dbraw/zinc/29/77/22/1081297722.db2.gz YLYJVMRDPFSLQA-UHFFFAOYSA-N -1 3 372.428 4.071 20 0 FIADHM COc1cccc2c1CN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C2 ZINC001648854128 1081304179 /nfs/dbraw/zinc/30/41/79/1081304179.db2.gz TXUWKMCVPWCWRG-UHFFFAOYSA-N -1 3 361.397 4.349 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000471499542 1081497299 /nfs/dbraw/zinc/49/72/99/1081497299.db2.gz LQIIZEUUXRUWIB-IBGZPJMESA-N -1 3 367.836 4.029 20 0 FIADHM CCC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccsc1 ZINC000187886906 1081554748 /nfs/dbraw/zinc/55/47/48/1081554748.db2.gz FQASRVFZVQLEIQ-CQSZACIVSA-N -1 3 354.497 4.082 20 0 FIADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000556484162 1081598687 /nfs/dbraw/zinc/59/86/87/1081598687.db2.gz XFSLBHYCJDYRQN-UHFFFAOYSA-N -1 3 357.497 4.460 20 0 FIADHM Cc1ccc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(F)(F)F)o1 ZINC000655326747 1081775378 /nfs/dbraw/zinc/77/53/78/1081775378.db2.gz OYSXRKQHYVMEHQ-MRXNPFEDSA-N -1 3 359.319 4.175 20 0 FIADHM COC(=O)c1sc(Br)cc1Nc1cccc([O-])c1Cl ZINC001210852020 1081777199 /nfs/dbraw/zinc/77/71/99/1081777199.db2.gz RUTPLVGAGXITDO-UHFFFAOYSA-N -1 3 362.632 4.400 20 0 FIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1 ZINC000683926132 1081926766 /nfs/dbraw/zinc/92/67/66/1081926766.db2.gz KLJADUCHOKCLRL-UHFFFAOYSA-N -1 3 373.522 4.298 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4cccc(Cl)c4C3)nc2)n1 ZINC000413400606 1081945752 /nfs/dbraw/zinc/94/57/52/1081945752.db2.gz AJSKNPDYCQNGQO-UHFFFAOYSA-N -1 3 366.852 4.023 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)c1 ZINC000122760173 1081951331 /nfs/dbraw/zinc/95/13/31/1081951331.db2.gz BMLBMBGUGJKWQY-LJQANCHMSA-N -1 3 352.434 4.026 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000580784328 1082136890 /nfs/dbraw/zinc/13/68/90/1082136890.db2.gz UPNLPUFAFZNZDP-GFBZKKKVSA-N -1 3 363.461 4.158 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CCCc3cccnc3)nc2)n1 ZINC000413405535 1082138618 /nfs/dbraw/zinc/13/86/18/1082138618.db2.gz YFQIYHWRYPORPF-HNNXBMFYSA-N -1 3 363.465 4.025 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc[nH]c2C2CCC2)[nH][n-]1 ZINC000580899645 1082211465 /nfs/dbraw/zinc/21/14/65/1082211465.db2.gz ASZQBQBNEOOLOJ-UHFFFAOYSA-N -1 3 370.840 4.009 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(CSC2CCCC2)c1 ZINC000160848188 1082448715 /nfs/dbraw/zinc/44/87/15/1082448715.db2.gz ORKYPFULODOFOL-QGZVFWFLSA-N -1 3 350.484 4.442 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(CSC2CCCC2)c1 ZINC000160848188 1082448717 /nfs/dbraw/zinc/44/87/17/1082448717.db2.gz ORKYPFULODOFOL-QGZVFWFLSA-N -1 3 350.484 4.442 20 0 FIADHM [O-]c1cccc(CN[C@H]2CSCc3ccccc32)c1Br ZINC000656492261 1082480106 /nfs/dbraw/zinc/48/01/06/1082480106.db2.gz GLMZXHBVPQMCSO-AWEZNQCLSA-N -1 3 350.281 4.232 20 0 FIADHM COc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(C(F)(F)F)c1 ZINC000558513171 1082520758 /nfs/dbraw/zinc/52/07/58/1082520758.db2.gz HXPYDPCDEJNJPJ-UHFFFAOYSA-N -1 3 359.731 4.003 20 0 FIADHM CCc1ccc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000276177953 1082542248 /nfs/dbraw/zinc/54/22/48/1082542248.db2.gz GIAWJPJCBVCCAQ-PXNSSMCTSA-N -1 3 357.425 4.086 20 0 FIADHM CCn1cc(CN[C@@H](c2cc(Cl)cc(Cl)c2)C(C)(C)C(=O)[O-])cn1 ZINC000656569610 1082595340 /nfs/dbraw/zinc/59/53/40/1082595340.db2.gz DBZDYMJNVGONHC-HNNXBMFYSA-N -1 3 370.280 4.152 20 0 FIADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl)C1CCCC1 ZINC000656626022 1082643335 /nfs/dbraw/zinc/64/33/35/1082643335.db2.gz KTKGGPWZQDXJFK-CQSZACIVSA-N -1 3 367.845 4.225 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC3(C4CCC4)CCC3)cc2)cc(=O)[n-]1 ZINC000581531203 1082645290 /nfs/dbraw/zinc/64/52/90/1082645290.db2.gz PQNNQJZRYZTCMF-UHFFFAOYSA-N -1 3 366.465 4.250 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2Br)[C@H]2CCCC[C@H]12 ZINC000656765207 1082757986 /nfs/dbraw/zinc/75/79/86/1082757986.db2.gz MLXPBLLHBWZJQC-FMKPAKJESA-N -1 3 370.262 4.054 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(Cc3ccccc3)n2)[C@H]2CCCC[C@H]12 ZINC000656766371 1082758773 /nfs/dbraw/zinc/75/87/73/1082758773.db2.gz QVXPPXQHTUSMPO-QRVBRYPASA-N -1 3 370.518 4.199 20 0 FIADHM CC(C)CCc1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cs1 ZINC000656769208 1082760902 /nfs/dbraw/zinc/76/09/02/1082760902.db2.gz YUOJGBMXQWDFKY-IXDOHACOSA-N -1 3 350.528 4.197 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656768922 1082762068 /nfs/dbraw/zinc/76/20/68/1082762068.db2.gz OLEXHZABEJGDPD-COXVUDFISA-N -1 3 372.292 4.400 20 0 FIADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000518131433 1082976448 /nfs/dbraw/zinc/97/64/48/1082976448.db2.gz NHSGUWOXZREXAE-UHFFFAOYSA-N -1 3 352.360 4.126 20 0 FIADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000518131433 1082976450 /nfs/dbraw/zinc/97/64/50/1082976450.db2.gz NHSGUWOXZREXAE-UHFFFAOYSA-N -1 3 352.360 4.126 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1cc2ccccc2o1 ZINC001211522003 1083017353 /nfs/dbraw/zinc/01/73/53/1083017353.db2.gz XQRAAXRMFINDLN-SECBINFHSA-N -1 3 371.245 4.174 20 0 FIADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1c(Cl)ccc2ccccc21 ZINC000510548739 1083155763 /nfs/dbraw/zinc/15/57/63/1083155763.db2.gz BFKMJEQJMTVXOT-UHFFFAOYSA-N -1 3 363.788 4.114 20 0 FIADHM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000468114818 1083187520 /nfs/dbraw/zinc/18/75/20/1083187520.db2.gz HCMXTKKSRWCALK-LJQANCHMSA-N -1 3 352.409 4.137 20 0 FIADHM Cc1cc([C@@H](NCc2ccc(OC(F)F)c(F)c2)C(=O)[O-])ccc1Cl ZINC000426777088 1083450963 /nfs/dbraw/zinc/45/09/63/1083450963.db2.gz KLDLEUYHGZIIHN-OAHLLOKOSA-N -1 3 373.758 4.304 20 0 FIADHM O=C(Nc1ccc2c(c1)oc1ccccc12)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065790464 1083453545 /nfs/dbraw/zinc/45/35/45/1083453545.db2.gz BFZIKSVWFJDEGV-UHFFFAOYSA-N -1 3 371.352 4.114 20 0 FIADHM CCc1cc(C(=O)Nc2cccc([O-])c2F)c2c(CC(C)(C)C)noc2n1 ZINC000548871359 1083455535 /nfs/dbraw/zinc/45/55/35/1083455535.db2.gz HCGGZLRVYKHYMA-UHFFFAOYSA-N -1 3 371.412 4.471 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(F)(c2cccnc2)CC1 ZINC000375910756 1083782797 /nfs/dbraw/zinc/78/27/97/1083782797.db2.gz AWZCFYAZDNFZIN-UHFFFAOYSA-N -1 3 350.393 4.041 20 0 FIADHM O=C([N-]c1cc(F)c(OC(F)F)cc1F)c1cc(-c2ccccc2)on1 ZINC000569968266 1083796959 /nfs/dbraw/zinc/79/69/59/1083796959.db2.gz RTKBBPJPYYVXGQ-UHFFFAOYSA-N -1 3 366.270 4.474 20 0 FIADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc(SC)ccc1[O-])CCC2 ZINC000612471778 1083832731 /nfs/dbraw/zinc/83/27/31/1083832731.db2.gz DDXHLJIZLTXTIE-CQSZACIVSA-N -1 3 362.520 4.283 20 0 FIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nnn(-c2cccc(C)c2)c1C ZINC000471999875 1083989181 /nfs/dbraw/zinc/98/91/81/1083989181.db2.gz SFWRVGPOZPRXAD-UHFFFAOYSA-N -1 3 373.416 4.100 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC000046462665 1084036767 /nfs/dbraw/zinc/03/67/67/1084036767.db2.gz YFWUZFJLWIXCAT-UHFFFAOYSA-N -1 3 372.490 4.315 20 0 FIADHM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299160907 1084168612 /nfs/dbraw/zinc/16/86/12/1084168612.db2.gz QKBIBXXSGPCVQD-LBPRGKRZSA-N -1 3 372.827 4.024 20 0 FIADHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)c1nnc(-c2ccccc2)o1 ZINC000177674113 1084221516 /nfs/dbraw/zinc/22/15/16/1084221516.db2.gz QEKRGPRUYXXQEQ-HNNXBMFYSA-N -1 3 373.412 4.241 20 0 FIADHM [O-]c1cc(F)cc(CNc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000472073427 1084240486 /nfs/dbraw/zinc/24/04/86/1084240486.db2.gz KATLCLKPSGXQSL-UHFFFAOYSA-N -1 3 353.184 4.031 20 0 FIADHM COc1ccccc1C1(CNC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000431750729 1084388378 /nfs/dbraw/zinc/38/83/78/1084388378.db2.gz BQQPYOJYXHENCH-UHFFFAOYSA-N -1 3 359.853 4.296 20 0 FIADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000071956632 1084393675 /nfs/dbraw/zinc/39/36/75/1084393675.db2.gz XSOCXYNXKXMXIJ-ZWNOBZJWSA-N -1 3 364.239 4.442 20 0 FIADHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc([O-])ccc1Cl ZINC000570891850 1084680382 /nfs/dbraw/zinc/68/03/82/1084680382.db2.gz WFNXMPFTUHVAEV-HNNXBMFYSA-N -1 3 352.217 4.343 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1nccs1 ZINC000431822602 1084690425 /nfs/dbraw/zinc/69/04/25/1084690425.db2.gz IWTRTYLVJCOHOA-LLVKDONJSA-N -1 3 372.924 4.441 20 0 FIADHM C[C@H](SCC(=O)Nc1c([O-])cccc1Cl)c1nc2ccccc2[nH]1 ZINC000582329979 1084875646 /nfs/dbraw/zinc/87/56/46/1084875646.db2.gz UYUIZZDBGAZTPZ-JTQLQIEISA-N -1 3 361.854 4.355 20 0 FIADHM CSc1nsc([N-]C(=O)c2cc3cc(Br)ccc3o2)n1 ZINC000175533754 1084956632 /nfs/dbraw/zinc/95/66/32/1084956632.db2.gz FRZZOHYQRUSNSO-UHFFFAOYSA-N -1 3 370.253 4.021 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000175614701 1084975041 /nfs/dbraw/zinc/97/50/41/1084975041.db2.gz AGBBSLHEHJZFKK-UHFFFAOYSA-N -1 3 355.781 4.225 20 0 FIADHM COc1ccc([C@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468514505 1085013358 /nfs/dbraw/zinc/01/33/58/1085013358.db2.gz HHOGXTZMVJYTRI-LJQANCHMSA-N -1 3 357.425 4.226 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1coc(Br)c1 ZINC000125354042 1085225504 /nfs/dbraw/zinc/22/55/04/1085225504.db2.gz HRRIMLNQMLNGSM-UHFFFAOYSA-N -1 3 350.090 4.019 20 0 FIADHM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C(C[C@H]1CCCO1)C(F)(F)F ZINC000651629109 1085260417 /nfs/dbraw/zinc/26/04/17/1085260417.db2.gz JMAUASMJEWTZHO-BDAKNGLRSA-N -1 3 372.170 4.385 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CC)c3ccccc3)c2)n1 ZINC000049304476 1085509270 /nfs/dbraw/zinc/50/92/70/1085509270.db2.gz DUTFGYNJSRZJJM-IBGZPJMESA-N -1 3 361.445 4.132 20 0 FIADHM C[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001211671177 1085746596 /nfs/dbraw/zinc/74/65/96/1085746596.db2.gz BAJNOTSHKKOHHB-GFCCVEGCSA-N -1 3 358.290 4.466 20 0 FIADHM C[C@@H](CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC001211672263 1085758659 /nfs/dbraw/zinc/75/86/59/1085758659.db2.gz VWQIDGRBUCKXBI-HNNXBMFYSA-N -1 3 372.515 4.282 20 0 FIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c2ccccc12 ZINC000182265403 1085893505 /nfs/dbraw/zinc/89/35/05/1085893505.db2.gz GANIFUUISHITSA-UHFFFAOYSA-N -1 3 372.421 4.047 20 0 FIADHM Cc1oc(C(=O)[O-])cc1CN1CCC(c2nc3ccccc3s2)CC1 ZINC000652376024 1085970550 /nfs/dbraw/zinc/97/05/50/1085970550.db2.gz PUUZQYJUAFSFIW-UHFFFAOYSA-N -1 3 356.447 4.276 20 0 FIADHM O=C([O-])[C@@H]1CN(CCCc2ccccc2Br)Cc2ccccc21 ZINC000652470217 1086089222 /nfs/dbraw/zinc/08/92/22/1086089222.db2.gz QWRYDDCGEWEVSL-QGZVFWFLSA-N -1 3 374.278 4.066 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@@H](C)COC)cc2)CC)n1 ZINC000663227975 1086259095 /nfs/dbraw/zinc/25/90/95/1086259095.db2.gz PFMJJANIEHXOAG-ZKMNFCBKSA-N -1 3 356.466 4.087 20 0 FIADHM CC(=CC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000052147157 1086344333 /nfs/dbraw/zinc/34/43/33/1086344333.db2.gz VACDBUBQEZAHOL-NHAQELONSA-N -1 3 368.458 4.309 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000426990457 1086346260 /nfs/dbraw/zinc/34/62/60/1086346260.db2.gz IOMLSPBIPZPEOY-KRWDZBQOSA-N -1 3 367.470 4.428 20 0 FIADHM Cc1ccc(-c2ccc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)o2)cc1 ZINC000663262571 1086346739 /nfs/dbraw/zinc/34/67/39/1086346739.db2.gz UIBJFRVATMMFLD-CQSZACIVSA-N -1 3 355.356 4.388 20 0 FIADHM CC(C)Sc1ccc([C@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000728853805 1086423964 /nfs/dbraw/zinc/42/39/64/1086423964.db2.gz DBVWQGCZBOIBBY-BXUJETTOSA-N -1 3 366.486 4.149 20 0 FIADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cc(C(C)(C)N)no1 ZINC000662469252 1086456437 /nfs/dbraw/zinc/45/64/37/1086456437.db2.gz OXZRNYFNAVDSMV-UHFFFAOYSA-N -1 3 353.875 4.275 20 0 FIADHM O=S(=O)([N-]C1(Cc2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC001211573781 1086559741 /nfs/dbraw/zinc/55/97/41/1086559741.db2.gz XMCKINIVEAFMAY-UHFFFAOYSA-N -1 3 356.274 4.047 20 0 FIADHM O=S(=O)([N-]Cc1coc2ccccc12)c1c(Cl)cccc1Cl ZINC000512144518 1086829955 /nfs/dbraw/zinc/82/99/55/1086829955.db2.gz UWIRVGFHXMHSMA-UHFFFAOYSA-N -1 3 356.230 4.218 20 0 FIADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000512155013 1086846006 /nfs/dbraw/zinc/84/60/06/1086846006.db2.gz QSVADAQKQGPNIP-UHFFFAOYSA-N -1 3 370.430 4.367 20 0 FIADHM Cc1cc(Br)cc(C)c1CNC(=O)c1cc([O-])ccc1Cl ZINC000584142572 1087192022 /nfs/dbraw/zinc/19/20/22/1087192022.db2.gz GORWWSHLXRWCNI-UHFFFAOYSA-N -1 3 368.658 4.355 20 0 FIADHM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000092526198 1087445787 /nfs/dbraw/zinc/44/57/87/1087445787.db2.gz AEYYXWFMQUQXCE-AAEUAGOBSA-N -1 3 354.431 4.032 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)cc1F ZINC000144708747 1087492141 /nfs/dbraw/zinc/49/21/41/1087492141.db2.gz HHGIQYQILVFIRF-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc([O-])ccc1Cl ZINC000685579299 1087632367 /nfs/dbraw/zinc/63/23/67/1087632367.db2.gz GBRAMWIXZYPLNM-UHFFFAOYSA-N -1 3 362.813 4.484 20 0 FIADHM CCCOc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000685619471 1087645718 /nfs/dbraw/zinc/64/57/18/1087645718.db2.gz YIWVCKCXKWVECB-GFCCVEGCSA-N -1 3 363.841 4.334 20 0 FIADHM Cc1cn2cc(C(=O)[N-]c3nnc(-c4ccc(C)cc4C)s3)sc2n1 ZINC000505114597 1088145356 /nfs/dbraw/zinc/14/53/56/1088145356.db2.gz PAFNEULITJEVHA-UHFFFAOYSA-N -1 3 369.475 4.092 20 0 FIADHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccccn4)cs3)on2)cc1 ZINC000031226701 1088462376 /nfs/dbraw/zinc/46/23/76/1088462376.db2.gz IUBMKNXXLSOZJF-UHFFFAOYSA-N -1 3 362.414 4.421 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(Cc1cccnc1)C1CC1 ZINC000179375725 1088751828 /nfs/dbraw/zinc/75/18/28/1088751828.db2.gz FIGWOADPNSCJHO-UHFFFAOYSA-N -1 3 358.441 4.183 20 0 FIADHM COc1c(C)cc(-c2noc(C=C([O-])c3ccccc3Cl)n2)cc1C ZINC001211647367 1088765856 /nfs/dbraw/zinc/76/58/56/1088765856.db2.gz MBWGDNPXIFYYKL-UHFFFAOYSA-N -1 3 356.809 4.441 20 0 FIADHM COc1c(F)ccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1F ZINC001211647527 1088770052 /nfs/dbraw/zinc/77/00/52/1088770052.db2.gz TXJGXQGASHKPFD-UHFFFAOYSA-N -1 3 364.735 4.102 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(Cc1ccccn1)C1CC1 ZINC000180335876 1088771938 /nfs/dbraw/zinc/77/19/38/1088771938.db2.gz LOEQHSTXBJELSD-UHFFFAOYSA-N -1 3 360.413 4.384 20 0 FIADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000434630176 1088871713 /nfs/dbraw/zinc/87/17/13/1088871713.db2.gz ZKRJUHBOAQKJAJ-UHFFFAOYSA-N -1 3 361.797 4.044 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000659797029 1088875380 /nfs/dbraw/zinc/87/53/80/1088875380.db2.gz HQFMPSVCHGGWDJ-JKSUJKDBSA-N -1 3 368.235 4.433 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000659797195 1088875920 /nfs/dbraw/zinc/87/59/20/1088875920.db2.gz IYQYNKBDSHUPGR-UONOGXRCSA-N -1 3 368.235 4.433 20 0 FIADHM Cc1ccc(Nc2nc(CN3C[C@@H]4CCCC[C@]4(C(=O)[O-])C3)cs2)cc1 ZINC000659799848 1088883975 /nfs/dbraw/zinc/88/39/75/1088883975.db2.gz OBHKEMRCIYLYPO-YWZLYKJASA-N -1 3 371.506 4.272 20 0 FIADHM O=C([O-])[C@H](c1ccc(Br)cc1F)N1CCC[C@H](C2CCC2)C1 ZINC000659801906 1088886754 /nfs/dbraw/zinc/88/67/54/1088886754.db2.gz MMGOGXUPKLUQAH-LRDDRELGSA-N -1 3 370.262 4.226 20 0 FIADHM [O-]c1ccc(F)c(CNCc2ccc(Oc3ccc(F)cc3)nc2)c1F ZINC000509986575 1088962150 /nfs/dbraw/zinc/96/21/50/1088962150.db2.gz ZWUVLPZROKINOG-UHFFFAOYSA-N -1 3 360.335 4.287 20 0 FIADHM COc1ccc(Oc2cc(CNCc3c(F)ccc([O-])c3F)ccn2)cc1 ZINC000509985153 1088962948 /nfs/dbraw/zinc/96/29/48/1088962948.db2.gz GTJCVBRTWBOHEB-UHFFFAOYSA-N -1 3 372.371 4.156 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Br)cc1 ZINC000468553395 1088971965 /nfs/dbraw/zinc/97/19/65/1088971965.db2.gz KPECAWOHGMSDOO-UHFFFAOYSA-N -1 3 352.203 4.255 20 0 FIADHM Cc1nc(-c2ccc(N3Cc4cccc(Cl)c4C3)nc2)[n-]c(=O)c1C ZINC000377193140 1089059362 /nfs/dbraw/zinc/05/93/62/1089059362.db2.gz PGQMUDYQPLWMKJ-UHFFFAOYSA-N -1 3 352.825 4.035 20 0 FIADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1ccc2[nH]cnc2c1F ZINC001143491956 1089216695 /nfs/dbraw/zinc/21/66/95/1089216695.db2.gz UQUDZQLUFUCUGH-UHFFFAOYSA-N -1 3 373.800 4.126 20 0 FIADHM O=C(Cc1ccc2ccccc2c1)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000024044239 1089366123 /nfs/dbraw/zinc/36/61/23/1089366123.db2.gz AIFVLWLFGJDFQD-UHFFFAOYSA-N -1 3 373.239 4.150 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn(Cc3ccc(F)cc3)c2)CC)n1 ZINC000435335893 1089541864 /nfs/dbraw/zinc/54/18/64/1089541864.db2.gz LNMQMXCYDAWQKZ-YVLHZVERSA-N -1 3 366.440 4.057 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](c2cccnc2)C1 ZINC000565310364 1089792695 /nfs/dbraw/zinc/79/26/95/1089792695.db2.gz VJXMEVRHDJAGIZ-WBMJQRKESA-N -1 3 351.233 4.004 20 0 FIADHM CC(C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1[O-] ZINC000515205491 1089889904 /nfs/dbraw/zinc/88/99/04/1089889904.db2.gz DBZFALZXEJXDRS-UHFFFAOYSA-N -1 3 364.239 4.296 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccsc3)nc2)n1 ZINC000377973252 1089967207 /nfs/dbraw/zinc/96/72/07/1089967207.db2.gz AYPVZRPRKDHNQQ-MRXNPFEDSA-N -1 3 352.463 4.210 20 0 FIADHM COc1cccc(SC)c1[N-]C(=O)c1sc([C@@H](C)OC)nc1C ZINC000416127137 1090207953 /nfs/dbraw/zinc/20/79/53/1090207953.db2.gz YWFBAPZGUHDVCX-SNVBAGLBSA-N -1 3 352.481 4.142 20 0 FIADHM Cc1nc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2s1 ZINC000431860108 1090260767 /nfs/dbraw/zinc/26/07/67/1090260767.db2.gz UDKAYCPDJVYFTQ-UHFFFAOYSA-N -1 3 363.236 4.325 20 0 FIADHM CC1(C)CC[C@@H](C(=O)N2CCCc3c(=O)[n-]cnc32)[C@@H](c2ccccc2)C1 ZINC000893203902 1090299114 /nfs/dbraw/zinc/29/91/14/1090299114.db2.gz FEWXQWYSRRNPTH-SJLPKXTDSA-N -1 3 365.477 4.072 20 0 FIADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c1 ZINC000184866355 1090312330 /nfs/dbraw/zinc/31/23/30/1090312330.db2.gz VHVZIPZOZNLJJQ-UHFFFAOYSA-N -1 3 361.847 4.010 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2c(Cl)cc(F)cc2Cl)c([O-])c1 ZINC000431881204 1090418096 /nfs/dbraw/zinc/41/80/96/1090418096.db2.gz YTFYRCBRMUPKSB-UHFFFAOYSA-N -1 3 372.179 4.267 20 0 FIADHM CCCOc1ccc(CNCc2c(F)ccc([O-])c2F)c(OC(F)F)c1 ZINC000511575398 1090469816 /nfs/dbraw/zinc/46/98/16/1090469816.db2.gz MTRWAXFCFQTFTH-UHFFFAOYSA-N -1 3 373.346 4.350 20 0 FIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000185113749 1090508913 /nfs/dbraw/zinc/50/89/13/1090508913.db2.gz NSLOYAVHFJLZPF-UHFFFAOYSA-N -1 3 357.753 4.464 20 0 FIADHM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1cc(Cl)ccc1[O-] ZINC000511607855 1090715656 /nfs/dbraw/zinc/71/56/56/1090715656.db2.gz ADGZKCRVQUPMOO-UHFFFAOYSA-N -1 3 370.623 4.181 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(OCc2ccccc2)nc1 ZINC000511620052 1090831972 /nfs/dbraw/zinc/83/19/72/1090831972.db2.gz IQJSUKXVDPUCBP-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM COc1cccc(Cl)c1CNC[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000417546231 1090919527 /nfs/dbraw/zinc/91/95/27/1090919527.db2.gz LVWGFHJQVFRYIM-ZDUSSCGKSA-N -1 3 368.260 4.035 20 0 FIADHM CCO[C@H]1C[C@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1(CC)CC ZINC000584844619 1090940882 /nfs/dbraw/zinc/94/08/82/1090940882.db2.gz GPSPBNPCUZXOQY-HOTGVXAUSA-N -1 3 353.890 4.454 20 0 FIADHM Cc1c(F)cccc1-c1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000417623022 1090942011 /nfs/dbraw/zinc/94/20/11/1090942011.db2.gz IZPITALAIFCSPF-NSHDSACASA-N -1 3 359.319 4.137 20 0 FIADHM O=C([O-])CC[C@@H]1CCCC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000417622714 1090942079 /nfs/dbraw/zinc/94/20/79/1090942079.db2.gz IONVXHOXSQWLRI-YJBOKZPZSA-N -1 3 374.506 4.235 20 0 FIADHM Cc1cc(F)ccc1-c1ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000417622773 1090942218 /nfs/dbraw/zinc/94/22/18/1090942218.db2.gz ITRWLNTYRLBMKX-LLVKDONJSA-N -1 3 359.319 4.137 20 0 FIADHM CCCCOc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417630309 1090945700 /nfs/dbraw/zinc/94/57/00/1090945700.db2.gz XYJUKBJZYJGVHQ-OALUTQOASA-N -1 3 369.461 4.277 20 0 FIADHM CCC[C@@H](CCCCNCc1ccc(F)cc1Br)C(=O)[O-] ZINC000417635912 1090947011 /nfs/dbraw/zinc/94/70/11/1090947011.db2.gz GBXFXHBTGAOJSN-LBPRGKRZSA-N -1 3 360.267 4.349 20 0 FIADHM CC(C)=CCSC[C@H](NCc1ccc(-c2ccncc2)cc1F)C(=O)[O-] ZINC000417625419 1090947661 /nfs/dbraw/zinc/94/76/61/1090947661.db2.gz MBUPBHGYBLJUTC-IBGZPJMESA-N -1 3 374.481 4.130 20 0 FIADHM COc1cc(F)c([C@H](C)NCc2c([O-])ccc(Cl)c2F)cc1OC ZINC000191056454 1091045709 /nfs/dbraw/zinc/04/57/09/1091045709.db2.gz XDUXKEJTIVVCQD-VIFPVBQESA-N -1 3 357.784 4.192 20 0 FIADHM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000512208675 1091914668 /nfs/dbraw/zinc/91/46/68/1091914668.db2.gz GIUOSLLTAKMXOT-UHFFFAOYSA-N -1 3 364.319 4.311 20 0 FIADHM [O-]c1cccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1Cl ZINC000512364578 1092158957 /nfs/dbraw/zinc/15/89/57/1092158957.db2.gz IRGDENYSRSABTI-LBPRGKRZSA-N -1 3 359.779 4.098 20 0 FIADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cc([O-])cc(F)c1 ZINC000512370653 1092174829 /nfs/dbraw/zinc/17/48/29/1092174829.db2.gz VKQBLHDLWCHDKT-UHFFFAOYSA-N -1 3 356.441 4.324 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2coc3ccccc23)[nH][n-]1 ZINC000500571527 1092238941 /nfs/dbraw/zinc/23/89/41/1092238941.db2.gz RVNNIOUZNKOTOJ-UHFFFAOYSA-N -1 3 367.792 4.159 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)[nH][n-]1 ZINC000500580801 1092250230 /nfs/dbraw/zinc/25/02/30/1092250230.db2.gz VEYSWQVNKNWNSY-LBPRGKRZSA-N -1 3 373.815 4.006 20 0 FIADHM CC(C)N(C(=O)c1c[n-]c2ccccc2c1=O)c1cnc2ccccc2c1 ZINC001270981985 1092310290 /nfs/dbraw/zinc/31/02/90/1092310290.db2.gz DNCLKYVIPOIKAX-UHFFFAOYSA-N -1 3 357.413 4.132 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C ZINC000442232813 1092525980 /nfs/dbraw/zinc/52/59/80/1092525980.db2.gz BGDJNJPOVDQHCE-UHFFFAOYSA-N -1 3 361.797 4.044 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1cc(F)cc(Cl)c1 ZINC000442236121 1092528741 /nfs/dbraw/zinc/52/87/41/1092528741.db2.gz JTQGNZLNPWPHMO-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM CCC[C@@H]1CCc2nc(NC(=O)c3c[n-]c4ccccc4c3=O)sc2C1 ZINC000500797519 1092593426 /nfs/dbraw/zinc/59/34/26/1092593426.db2.gz CBXYZTBURNCYHV-GFCCVEGCSA-N -1 3 367.474 4.142 20 0 FIADHM CCCO[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000521633808 1092808905 /nfs/dbraw/zinc/80/89/05/1092808905.db2.gz KTRXNSHCRYMBES-BBRMVZONSA-N -1 3 360.281 4.400 20 0 FIADHM O=c1[n-]c(CN2CC[C@@H](c3ccccc3F)C2)nc2c3ccccc3oc21 ZINC000549814154 1092830645 /nfs/dbraw/zinc/83/06/45/1092830645.db2.gz XFYRRXOWJAAPQV-CYBMUJFWSA-N -1 3 363.392 4.210 20 0 FIADHM CC1(C)CCc2ccccc2[C@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000442971495 1092900041 /nfs/dbraw/zinc/90/00/41/1092900041.db2.gz ZBRXZYAQHQNSQN-HXUWFJFHSA-N -1 3 360.457 4.362 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C ZINC000512587482 1092965480 /nfs/dbraw/zinc/96/54/80/1092965480.db2.gz LKAHHQNPVBIDIE-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM [O-]c1ccc(F)c(CNCc2cc3cc(Br)ccc3[nH]2)c1F ZINC000512600683 1092982438 /nfs/dbraw/zinc/98/24/38/1092982438.db2.gz ZOFVROHZWIALBY-UHFFFAOYSA-N -1 3 367.193 4.204 20 0 FIADHM COc1ccc2occ(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)c2c1 ZINC000443232756 1092993345 /nfs/dbraw/zinc/99/33/45/1092993345.db2.gz XNGUWDMQMFTPNE-UHFFFAOYSA-N -1 3 374.356 4.225 20 0 FIADHM Cc1cccc(Oc2ccccc2C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000443231445 1092999622 /nfs/dbraw/zinc/99/96/22/1092999622.db2.gz MYKMBKHOACLSAR-LJQANCHMSA-N -1 3 363.417 4.036 20 0 FIADHM CCOc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1OCC ZINC000007243170 1093006837 /nfs/dbraw/zinc/00/68/37/1093006837.db2.gz IPYHPACZOSNJOM-UHFFFAOYSA-N -1 3 369.417 4.217 20 0 FIADHM CCc1cccc(C(=O)N(C)CCc2cccc(Br)c2)c1[O-] ZINC000522050734 1093057214 /nfs/dbraw/zinc/05/72/14/1093057214.db2.gz HGRZEYBFYBIPOY-UHFFFAOYSA-N -1 3 362.267 4.032 20 0 FIADHM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[N-]OCC(F)F)c(C)c1 ZINC000759995725 1093090659 /nfs/dbraw/zinc/09/06/59/1093090659.db2.gz SVXINDJZTZBKIE-UHFFFAOYSA-N -1 3 366.412 4.105 20 0 FIADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(F)c3F)c2)n1 ZINC000443411436 1093101622 /nfs/dbraw/zinc/10/16/22/1093101622.db2.gz FDDTUWGNWZMCBQ-UHFFFAOYSA-N -1 3 366.414 4.198 20 0 FIADHM O=C([O-])CCC1CCN(Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000665343851 1093217192 /nfs/dbraw/zinc/21/71/92/1093217192.db2.gz XKTOAGUJXAALEI-UHFFFAOYSA-N -1 3 366.433 4.165 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c1 ZINC000512776593 1093323774 /nfs/dbraw/zinc/32/37/74/1093323774.db2.gz QHOJNLBIVOVFQJ-UHFFFAOYSA-N -1 3 352.365 4.163 20 0 FIADHM O=C([O-])[C@@H](CNCc1csc(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000665363365 1093373146 /nfs/dbraw/zinc/37/31/46/1093373146.db2.gz YMTRUOYSFZAMTD-HNNXBMFYSA-N -1 3 350.871 4.054 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C(C)C)n3)c2)n1 ZINC000474225522 1093591993 /nfs/dbraw/zinc/59/19/93/1093591993.db2.gz GFJROMBXGXRQIO-UHFFFAOYSA-N -1 3 362.433 4.182 20 0 FIADHM CCOc1cc(CNc2ccc(NC(=O)C3CC3)cc2)cc(Cl)c1[O-] ZINC000512978374 1093623426 /nfs/dbraw/zinc/62/34/26/1093623426.db2.gz BSMMGDHWWHIAER-UHFFFAOYSA-N -1 3 360.841 4.405 20 0 FIADHM Cc1ccsc1CN(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509875523 1093652647 /nfs/dbraw/zinc/65/26/47/1093652647.db2.gz YOGMDYLFRSPJDZ-UHFFFAOYSA-N -1 3 368.462 4.191 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)C3CCC(C)CC3)cc2)cc(=O)[n-]1 ZINC000509871316 1093656352 /nfs/dbraw/zinc/65/63/52/1093656352.db2.gz IBEMOVMGBHTKOU-UHFFFAOYSA-N -1 3 354.454 4.200 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccccc1N1CCCCC1 ZINC000469809094 1093669172 /nfs/dbraw/zinc/66/91/72/1093669172.db2.gz IKFOKIYULKYISO-UHFFFAOYSA-N -1 3 370.468 4.161 20 0 FIADHM CCc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1-c1ccc(OC)cc1 ZINC000474365661 1093714618 /nfs/dbraw/zinc/71/46/18/1093714618.db2.gz KODQFWBGWSVLDF-UHFFFAOYSA-N -1 3 371.824 4.055 20 0 FIADHM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000509899491 1093765281 /nfs/dbraw/zinc/76/52/81/1093765281.db2.gz LRQRRULDLXUNPK-UHFFFAOYSA-N -1 3 363.801 4.264 20 0 FIADHM COc1ccc2c(c1)CCCCN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469058918 1093806646 /nfs/dbraw/zinc/80/66/46/1093806646.db2.gz RXRMZLACOSPJAQ-UHFFFAOYSA-N -1 3 357.425 4.232 20 0 FIADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1 ZINC000433736231 1094075837 /nfs/dbraw/zinc/07/58/37/1094075837.db2.gz FIOXEUVQMHUZJZ-ZDUSSCGKSA-N -1 3 373.305 4.107 20 0 FIADHM CC(C)(CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000263110848 1094209166 /nfs/dbraw/zinc/20/91/66/1094209166.db2.gz YMRAMEHCNIPQRK-UHFFFAOYSA-N -1 3 372.412 4.419 20 0 FIADHM CCc1nc2cc(CNCc3c(F)ccc([O-])c3F)ccc2n1C1CC1 ZINC000513557540 1094213411 /nfs/dbraw/zinc/21/34/11/1094213411.db2.gz GOVWMFVJSVBMQH-UHFFFAOYSA-N -1 3 357.404 4.207 20 0 FIADHM CCC[C@H](C)NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210264 1094315195 /nfs/dbraw/zinc/31/51/95/1094315195.db2.gz XXIBEDJCBSFKNZ-WDEREUQCSA-N -1 3 368.503 4.206 20 0 FIADHM O=c1cc(CN2CCC[C@H](CC(F)(F)F)C2)nc(-c2ccccc2)[n-]1 ZINC000420951073 1095192881 /nfs/dbraw/zinc/19/28/81/1095192881.db2.gz QLSGESFOPMHUPN-CYBMUJFWSA-N -1 3 351.372 4.014 20 0 FIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)cc1 ZINC000522628844 1095208109 /nfs/dbraw/zinc/20/81/09/1095208109.db2.gz RXIRMKPAHOJIBK-UHFFFAOYSA-N -1 3 374.506 4.425 20 0 FIADHM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752378 1095310280 /nfs/dbraw/zinc/31/02/80/1095310280.db2.gz CXMCQZSLLMTNPW-MRVPVSSYSA-N -1 3 373.261 4.227 20 0 FIADHM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752632 1095312152 /nfs/dbraw/zinc/31/21/52/1095312152.db2.gz HHJLIFBGBOUBRM-MNOVXSKESA-N -1 3 369.248 4.053 20 0 FIADHM CCCCc1nc(NC(=O)CCCc2ccc(C)cc2)c(C(=O)OCC)[n-]1 ZINC001269124854 1095577890 /nfs/dbraw/zinc/57/78/90/1095577890.db2.gz XRRVHXRWNRBJBY-UHFFFAOYSA-N -1 3 371.481 4.199 20 0 FIADHM O=c1nc(CN2CCCC[C@H]2C(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000502863777 1095918856 /nfs/dbraw/zinc/91/88/56/1095918856.db2.gz RBUXGYXCLCFVCM-NSHDSACASA-N -1 3 365.405 4.277 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c([O-])c1 ZINC000421957058 1096013717 /nfs/dbraw/zinc/01/37/17/1096013717.db2.gz IBZVLUBEJADPMA-CYBMUJFWSA-N -1 3 359.388 4.376 20 0 FIADHM Cc1sc(NC(=O)c2cc(F)cc3n[n-]nc32)nc1-c1ccc(C)cc1 ZINC000503128513 1096086883 /nfs/dbraw/zinc/08/68/83/1096086883.db2.gz CLJURCNFJJEYKU-UHFFFAOYSA-N -1 3 367.409 4.090 20 0 FIADHM Cc1csc2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)[n-]c(=O)c12 ZINC000504472828 1096785738 /nfs/dbraw/zinc/78/57/38/1096785738.db2.gz ABUXGEOAAXIGGZ-UHFFFAOYSA-N -1 3 360.801 4.351 20 0 FIADHM COc1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1C ZINC000504508576 1096793895 /nfs/dbraw/zinc/79/38/95/1096793895.db2.gz WELVQTSGJWMETR-UHFFFAOYSA-N -1 3 363.186 4.221 20 0 FIADHM Cc1cccc(-c2cnc([N-]C(=O)c3cc(-c4ccccn4)no3)s2)c1 ZINC000515417976 1098567372 /nfs/dbraw/zinc/56/73/72/1098567372.db2.gz HOUIHYBXHUTSTF-UHFFFAOYSA-N -1 3 362.414 4.421 20 0 FIADHM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000515618094 1098768815 /nfs/dbraw/zinc/76/88/15/1098768815.db2.gz BLCDAEQEZYOKQX-UHFFFAOYSA-N -1 3 361.463 4.115 20 0 FIADHM CCc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1-c1ccc(F)cc1 ZINC000533158819 1098811676 /nfs/dbraw/zinc/81/16/76/1098811676.db2.gz SVYJPOZYZANTHK-UHFFFAOYSA-N -1 3 359.788 4.185 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(Sc3ccncc3)cc2)c1 ZINC000533262378 1098927811 /nfs/dbraw/zinc/92/78/11/1098927811.db2.gz UEDUHQMLPKFKML-UHFFFAOYSA-N -1 3 352.415 4.199 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C ZINC000515836701 1098972432 /nfs/dbraw/zinc/97/24/32/1098972432.db2.gz WTVQGIOVTZOYHV-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM CCC(CC)[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1cccs1 ZINC000436531990 1099086292 /nfs/dbraw/zinc/08/62/92/1099086292.db2.gz JDXHGYGWHPPYNL-KRWDZBQOSA-N -1 3 363.479 4.378 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c([O-])c1 ZINC000436532790 1099087167 /nfs/dbraw/zinc/08/71/67/1099087167.db2.gz WYZMWHCXJUMSSZ-UHFFFAOYSA-N -1 3 359.275 4.156 20 0 FIADHM CC(C)c1ccc(C(=O)NCCc2nc(-c3ccncc3)cs2)c([O-])c1 ZINC000436541674 1099107801 /nfs/dbraw/zinc/10/78/01/1099107801.db2.gz ZASSJSHAHQWJEG-UHFFFAOYSA-N -1 3 367.474 4.007 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c([O-])c1 ZINC000436545717 1099110826 /nfs/dbraw/zinc/11/08/26/1099110826.db2.gz OEFDZJLGUBGUHR-SANMLTNESA-N -1 3 365.454 4.261 20 0 FIADHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000436560690 1099115307 /nfs/dbraw/zinc/11/53/07/1099115307.db2.gz GPYHNENTGNJILQ-CQSZACIVSA-N -1 3 359.853 4.149 20 0 FIADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(-c4cnco4)cc3)c([O-])c2O1 ZINC000436562339 1099115363 /nfs/dbraw/zinc/11/53/63/1099115363.db2.gz NCUFFBMJVYOOMZ-UHFFFAOYSA-N -1 3 350.374 4.013 20 0 FIADHM COc1ccc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000436573696 1099123566 /nfs/dbraw/zinc/12/35/66/1099123566.db2.gz CRCFAWVEUVWYAV-KRWDZBQOSA-N -1 3 367.445 4.059 20 0 FIADHM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000436594726 1099126977 /nfs/dbraw/zinc/12/69/77/1099126977.db2.gz JSPWHWQTAHFKMW-UHFFFAOYSA-N -1 3 363.417 4.057 20 0 FIADHM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436582869 1099131847 /nfs/dbraw/zinc/13/18/47/1099131847.db2.gz IQKKKQZBZIDIMI-UHFFFAOYSA-N -1 3 372.424 4.120 20 0 FIADHM CCc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n[nH]1 ZINC000436604199 1099140352 /nfs/dbraw/zinc/14/03/52/1099140352.db2.gz NETBNDPDSRJWCG-UHFFFAOYSA-N -1 3 364.430 4.207 20 0 FIADHM CC(=O)Nc1cccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1 ZINC000436605059 1099140573 /nfs/dbraw/zinc/14/05/73/1099140573.db2.gz DWHWALHKXJLUOK-UHFFFAOYSA-N -1 3 374.440 4.388 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c([O-])c1 ZINC000436610239 1099143208 /nfs/dbraw/zinc/14/32/08/1099143208.db2.gz SVRLUEXQYGEJGT-NJDAHSKKSA-N -1 3 365.473 4.160 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000436610240 1099144084 /nfs/dbraw/zinc/14/40/84/1099144084.db2.gz SVRLUEXQYGEJGT-NJYVYQBISA-N -1 3 365.473 4.160 20 0 FIADHM Cc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2[O-])N2CCCC2)o1 ZINC000436629506 1099158015 /nfs/dbraw/zinc/15/80/15/1099158015.db2.gz VKSAAYQTMSDMIH-LJQANCHMSA-N -1 3 364.445 4.014 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)cc1[O-] ZINC000436636212 1099165795 /nfs/dbraw/zinc/16/57/95/1099165795.db2.gz QDDPCUQUTARJPT-UHFFFAOYSA-N -1 3 352.415 4.279 20 0 FIADHM CC(C)Cn1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(C(F)F)n1 ZINC000436700282 1099234814 /nfs/dbraw/zinc/23/48/14/1099234814.db2.gz UMRUNMQNBHKTKG-UHFFFAOYSA-N -1 3 363.408 4.313 20 0 FIADHM [O-]c1ccccc1-c1nc(CSc2nc3ccccc3n2C(F)F)no1 ZINC000436702990 1099235700 /nfs/dbraw/zinc/23/57/00/1099235700.db2.gz FOWSTBRVZSMVNO-UHFFFAOYSA-N -1 3 374.372 4.479 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(CC(F)(F)F)CC2)c([O-])c1 ZINC000436725691 1099241347 /nfs/dbraw/zinc/24/13/47/1099241347.db2.gz YZBZQXUPVBJCSS-UHFFFAOYSA-N -1 3 359.388 4.376 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436737465 1099258053 /nfs/dbraw/zinc/25/80/53/1099258053.db2.gz KYEGWXUJUNZICO-MRXNPFEDSA-N -1 3 365.351 4.484 20 0 FIADHM COCc1csc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436737898 1099258676 /nfs/dbraw/zinc/25/86/76/1099258676.db2.gz KIOQMDXHXXFCOB-UHFFFAOYSA-N -1 3 368.458 4.033 20 0 FIADHM Cc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1[O-] ZINC000436744746 1099266420 /nfs/dbraw/zinc/26/64/20/1099266420.db2.gz PGNQDHCNRCGEOS-UHFFFAOYSA-N -1 3 357.460 4.097 20 0 FIADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cc(F)ccc3[O-])c12 ZINC000436801185 1099314123 /nfs/dbraw/zinc/31/41/23/1099314123.db2.gz QNMCNUXKLNTAAI-UHFFFAOYSA-N -1 3 363.348 4.295 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000436782249 1099315213 /nfs/dbraw/zinc/31/52/13/1099315213.db2.gz MVXBAXVEUCUCDV-VIFPVBQESA-N -1 3 367.232 4.148 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c([O-])c1 ZINC000436804563 1099333193 /nfs/dbraw/zinc/33/31/93/1099333193.db2.gz CBGMLQLWWNSALA-UHFFFAOYSA-N -1 3 366.461 4.133 20 0 FIADHM CC(C)c1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c([O-])c1 ZINC000436809972 1099335733 /nfs/dbraw/zinc/33/57/33/1099335733.db2.gz QCBHYNWGAXDLDM-UHFFFAOYSA-N -1 3 357.294 4.473 20 0 FIADHM CCc1ccc(C(=O)N(C)Cc2csc(Br)c2)c([O-])c1 ZINC000436811243 1099336124 /nfs/dbraw/zinc/33/61/24/1099336124.db2.gz INMZOFPHAUGOFL-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c([O-])c1 ZINC000436827677 1099340896 /nfs/dbraw/zinc/34/08/96/1099340896.db2.gz FOUBAWNJERDURY-KRWDZBQOSA-N -1 3 350.418 4.463 20 0 FIADHM CCc1ccc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c([O-])c1 ZINC000436830985 1099342937 /nfs/dbraw/zinc/34/29/37/1099342937.db2.gz OVHIVJLFJBTZDR-UHFFFAOYSA-N -1 3 359.429 4.122 20 0 FIADHM COc1ccc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([O-])c1 ZINC000436846965 1099365323 /nfs/dbraw/zinc/36/53/23/1099365323.db2.gz CZGKGRFZUIJMHO-CYBMUJFWSA-N -1 3 365.351 4.049 20 0 FIADHM CSC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436854233 1099370838 /nfs/dbraw/zinc/37/08/38/1099370838.db2.gz SZSISNQTLIBLGJ-OAHLLOKOSA-N -1 3 357.475 4.400 20 0 FIADHM CCc1ccc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)c([O-])c1 ZINC000436862584 1099373146 /nfs/dbraw/zinc/37/31/46/1099373146.db2.gz OYNOKMNMKZLJOC-UHFFFAOYSA-N -1 3 360.373 4.254 20 0 FIADHM COC(=O)c1cc(Br)c(C)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016359 1099383050 /nfs/dbraw/zinc/38/30/50/1099383050.db2.gz MGFINEKMBYNIOT-UHFFFAOYSA-N -1 3 372.165 4.272 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1csc(=O)[nH]1 ZINC000436881097 1099397697 /nfs/dbraw/zinc/39/76/97/1099397697.db2.gz MOWDYPPWHRKIQX-UHFFFAOYSA-N -1 3 369.427 4.083 20 0 FIADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436887297 1099404473 /nfs/dbraw/zinc/40/44/73/1099404473.db2.gz WWMCKJLSCIQYDY-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM Cc1ccc(-c2nc(Cc3ccc(OCc4cccnc4)cc3)no2)c([O-])c1 ZINC000436903026 1099410876 /nfs/dbraw/zinc/41/08/76/1099410876.db2.gz LROLOWSPVSBTQT-UHFFFAOYSA-N -1 3 373.412 4.315 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c1[O-] ZINC000436906692 1099416870 /nfs/dbraw/zinc/41/68/70/1099416870.db2.gz WNEPTVDBFUXWOM-UHFFFAOYSA-N -1 3 354.259 4.276 20 0 FIADHM CCOc1ccc(Br)cc1-c1noc(-c2ccccc2[O-])n1 ZINC000436908451 1099417963 /nfs/dbraw/zinc/41/79/63/1099417963.db2.gz IQNHREOLEWXVFG-UHFFFAOYSA-N -1 3 361.195 4.270 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCC)cc2C)cc1 ZINC000614883371 1099426028 /nfs/dbraw/zinc/42/60/28/1099426028.db2.gz OMQQSUSJHYLMSI-UHFFFAOYSA-N -1 3 363.479 4.373 20 0 FIADHM CO[C@@H](c1noc(-c2cc3ccccc3cc2[O-])n1)c1ccc(F)cc1 ZINC000436951021 1099446536 /nfs/dbraw/zinc/44/65/36/1099446536.db2.gz QUIBMEUOOITWKK-GOSISDBHSA-N -1 3 350.349 4.470 20 0 FIADHM COc1cc(Br)ccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436944058 1099454584 /nfs/dbraw/zinc/45/45/84/1099454584.db2.gz LJXVCRBLNCCKFN-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1Cl ZINC000436948951 1099459828 /nfs/dbraw/zinc/45/98/28/1099459828.db2.gz QJTHADSQAHAERW-UHFFFAOYSA-N -1 3 358.825 4.135 20 0 FIADHM O=C(c1ccccc1[O-])N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000436965508 1099463587 /nfs/dbraw/zinc/46/35/87/1099463587.db2.gz SODMNVABCATEAQ-KRWDZBQOSA-N -1 3 363.417 4.200 20 0 FIADHM Cc1ccc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c([O-])c1 ZINC000436958688 1099476228 /nfs/dbraw/zinc/47/62/28/1099476228.db2.gz IZBPMSJZJOTWOT-UHFFFAOYSA-N -1 3 361.323 4.157 20 0 FIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436982999 1099488246 /nfs/dbraw/zinc/48/82/46/1099488246.db2.gz WGQKYGGVKBNZEO-XLIONFOSSA-N -1 3 357.425 4.305 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000436981684 1099488759 /nfs/dbraw/zinc/48/87/59/1099488759.db2.gz CZCPLIFVMCYIRF-UWJYYQICSA-N -1 3 369.461 4.221 20 0 FIADHM CC(C)Cn1ncc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1C(F)F ZINC000436970398 1099489365 /nfs/dbraw/zinc/48/93/65/1099489365.db2.gz DKMRDWSBFGSQBB-UHFFFAOYSA-N -1 3 363.408 4.313 20 0 FIADHM CCCCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c([O-])c1 ZINC000436982453 1099490144 /nfs/dbraw/zinc/49/01/44/1099490144.db2.gz XJGZXJQNJMRMNV-KKSFZXQISA-N -1 3 369.461 4.173 20 0 FIADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c([O-])c1 ZINC000436992114 1099497238 /nfs/dbraw/zinc/49/72/38/1099497238.db2.gz UKYZESJDWKKLFG-LJQANCHMSA-N -1 3 361.445 4.458 20 0 FIADHM CCCc1c(NC(=O)c2ccc(C)c(C)c2[O-])cnn1-c1cc(C)ccn1 ZINC000436983654 1099503496 /nfs/dbraw/zinc/50/34/96/1099503496.db2.gz XVFTXSYWSZKBCW-UHFFFAOYSA-N -1 3 364.449 4.103 20 0 FIADHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001212093893 1099590135 /nfs/dbraw/zinc/59/01/35/1099590135.db2.gz ODJRBWINXUEJCZ-CZUORRHYSA-N -1 3 370.927 4.176 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)cc2cccnc21 ZINC000162280406 1099673282 /nfs/dbraw/zinc/67/32/82/1099673282.db2.gz IXPQSONAMFBLIC-UHFFFAOYSA-N -1 3 350.378 4.145 20 0 FIADHM CC(C)c1ccc(-c2nc(CN3C[C@H](C)C[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000263364221 1099783081 /nfs/dbraw/zinc/78/30/81/1099783081.db2.gz SSGQYVVLLWGRPZ-PBHICJAKSA-N -1 3 358.507 4.476 20 0 FIADHM CC(C)c1ccc(-c2nc(CN3C[C@@H](C)C[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000263364224 1099783933 /nfs/dbraw/zinc/78/39/33/1099783933.db2.gz SSGQYVVLLWGRPZ-YOEHRIQHSA-N -1 3 358.507 4.476 20 0 FIADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000437299505 1099784260 /nfs/dbraw/zinc/78/42/60/1099784260.db2.gz VECKBCQLNSWHRL-BDAKNGLRSA-N -1 3 361.838 4.049 20 0 FIADHM CC(C)Oc1ccc2ccccc2c1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000516932605 1099940742 /nfs/dbraw/zinc/94/07/42/1099940742.db2.gz VYOZXWJYNZZESL-IBGZPJMESA-N -1 3 353.462 4.314 20 0 FIADHM Cc1cc(F)c2c(c1)CCCN2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000030153405 1100080389 /nfs/dbraw/zinc/08/03/89/1100080389.db2.gz JGEYARKBQZDJEM-UHFFFAOYSA-N -1 3 363.392 4.070 20 0 FIADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2ccccc2)cs1 ZINC000459415536 1100140497 /nfs/dbraw/zinc/14/04/97/1100140497.db2.gz ZTKMARCHCDQHJH-GFCCVEGCSA-N -1 3 352.463 4.034 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC(C(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000437749114 1100141956 /nfs/dbraw/zinc/14/19/56/1100141956.db2.gz RCBCEVGGLNEAEP-UHFFFAOYSA-N -1 3 354.454 4.058 20 0 FIADHM Cc1ccc([O-])c(CN2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)n1 ZINC000536680736 1100148628 /nfs/dbraw/zinc/14/86/28/1100148628.db2.gz BKHSENHEYKJRLP-SFHVURJKSA-N -1 3 368.868 4.476 20 0 FIADHM [O-]c1cccc(CNCc2cccc(OCC(F)F)c2)c1Br ZINC000459419947 1100150788 /nfs/dbraw/zinc/15/07/88/1100150788.db2.gz CCFICKAFTQQVMI-UHFFFAOYSA-N -1 3 372.209 4.088 20 0 FIADHM Cc1ccc([O-])c(CN(Cc2csc(Br)c2)C2CC2)n1 ZINC000536695804 1100199605 /nfs/dbraw/zinc/19/96/05/1100199605.db2.gz HSCUTYIKNPIMBJ-UHFFFAOYSA-N -1 3 353.285 4.084 20 0 FIADHM CC(C)(C)Oc1ccc(CNCc2cccc([O-])c2Br)cn1 ZINC000459477584 1100214866 /nfs/dbraw/zinc/21/48/66/1100214866.db2.gz HPQHKKAVQWYPBT-UHFFFAOYSA-N -1 3 365.271 4.017 20 0 FIADHM CCOc1ccc(CNCc2cccc([O-])c2Br)cc1Cl ZINC000459531416 1100280940 /nfs/dbraw/zinc/28/09/40/1100280940.db2.gz VRKDGJJCCDONOY-UHFFFAOYSA-N -1 3 370.674 4.497 20 0 FIADHM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Br ZINC000459573285 1100321714 /nfs/dbraw/zinc/32/17/14/1100321714.db2.gz INHTXJQAUUKGGA-GXSJLCMTSA-N -1 3 352.194 4.318 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000473585557 1100385262 /nfs/dbraw/zinc/38/52/62/1100385262.db2.gz RINLHTAYKFJFAC-RYUDHWBXSA-N -1 3 357.278 4.431 20 0 FIADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000469379606 1100460336 /nfs/dbraw/zinc/46/03/36/1100460336.db2.gz SGXNXYKGUOLNRH-QGZVFWFLSA-N -1 3 351.368 4.400 20 0 FIADHM CCn1c(C(=O)Nc2ccc(Br)cc2[O-])cc2ccccc21 ZINC000518216761 1101016787 /nfs/dbraw/zinc/01/67/87/1101016787.db2.gz PWJKRPAKERNBCP-UHFFFAOYSA-N -1 3 359.223 4.382 20 0 FIADHM O=S(=O)([N-]Cc1ccc(-c2ccccc2)o1)c1ccc(Cl)s1 ZINC000518423828 1101191149 /nfs/dbraw/zinc/19/11/49/1101191149.db2.gz XSZVQDSZZUCEHC-UHFFFAOYSA-N -1 3 353.852 4.140 20 0 FIADHM C[C@@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccccc1C(F)(F)F ZINC000439141006 1101196565 /nfs/dbraw/zinc/19/65/65/1101196565.db2.gz JWLWMBDZUIBXAZ-LBPRGKRZSA-N -1 3 374.366 4.045 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000473599283 1101206771 /nfs/dbraw/zinc/20/67/71/1101206771.db2.gz MIOAZZMLCPKIGN-ZJUUUORDSA-N -1 3 357.278 4.431 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(C)C)o1 ZINC000536897364 1101317748 /nfs/dbraw/zinc/31/77/48/1101317748.db2.gz PDHOJTJFPVEGTF-HNNXBMFYSA-N -1 3 361.385 4.282 20 0 FIADHM COc1cc2c(cc1F)[n-]cc(C(=O)N(C)c1cccc(C(C)C)c1)c2=O ZINC000537245813 1101584549 /nfs/dbraw/zinc/58/45/49/1101584549.db2.gz LUBFZJRUYWZYAC-UHFFFAOYSA-N -1 3 368.408 4.076 20 0 FIADHM O=C(NC[C@H]1CCCC[C@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000518918321 1101736149 /nfs/dbraw/zinc/73/61/49/1101736149.db2.gz JWMYZWWBWOHTQK-MSOLQXFVSA-N -1 3 360.457 4.232 20 0 FIADHM Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ncccc4[O-])cc3)o2)cc1 ZINC000191595821 1101874379 /nfs/dbraw/zinc/87/43/79/1101874379.db2.gz PECPNYCUVHUMQV-UHFFFAOYSA-N -1 3 372.384 4.065 20 0 FIADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000475816028 1101940238 /nfs/dbraw/zinc/94/02/38/1101940238.db2.gz LNEFEVWBSVLSKX-INIZCTEOSA-N -1 3 365.882 4.318 20 0 FIADHM COc1ccc([C@@H](C)[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)cc1F ZINC001126782296 1102006973 /nfs/dbraw/zinc/00/69/73/1102006973.db2.gz IPQFTBYAIOHQSI-SNVBAGLBSA-N -1 3 372.774 4.160 20 0 FIADHM O=C(CCc1nc2ccccc2o1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476170520 1102011205 /nfs/dbraw/zinc/01/12/05/1102011205.db2.gz RJOFZYCESBJXLU-UHFFFAOYSA-N -1 3 350.296 4.124 20 0 FIADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263316954 1102068171 /nfs/dbraw/zinc/06/81/71/1102068171.db2.gz IWFDONOHWKPQCM-CHWSQXEVSA-N -1 3 356.447 4.241 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2ccc(COc3ccc(F)cc3)o2)s1 ZINC000025323278 1102139117 /nfs/dbraw/zinc/13/91/17/1102139117.db2.gz UUCXQBWXMFCXBS-UHFFFAOYSA-N -1 3 361.398 4.225 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3CCC(C(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000532416820 1102170551 /nfs/dbraw/zinc/17/05/51/1102170551.db2.gz NEOVUPLZXNMLSW-UHFFFAOYSA-N -1 3 368.481 4.494 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000440290227 1102173651 /nfs/dbraw/zinc/17/36/51/1102173651.db2.gz FUJMAGNBEYTDCZ-UHFFFAOYSA-N -1 3 373.396 4.381 20 0 FIADHM O=C([O-])[C@H](CCNCc1ncc(-c2ccccc2)s1)Cc1ccccc1 ZINC000426629199 1102191600 /nfs/dbraw/zinc/19/16/00/1102191600.db2.gz PQOULIRQOJLVLI-GOSISDBHSA-N -1 3 366.486 4.233 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CC34CCCCC4)c2)n1 ZINC000532422869 1102273350 /nfs/dbraw/zinc/27/33/50/1102273350.db2.gz JPCHFPSJQNDQMJ-KRWDZBQOSA-N -1 3 351.450 4.321 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC([C@H]2CCCO2)CC1 ZINC000187586484 1102285466 /nfs/dbraw/zinc/28/54/66/1102285466.db2.gz WZTSJZVBXWRACZ-JOCHJYFZSA-N -1 3 365.473 4.014 20 0 FIADHM O=C([N-]c1cnoc1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000623940690 1102313998 /nfs/dbraw/zinc/31/39/98/1102313998.db2.gz MEUBMELEHSYVBQ-UHFFFAOYSA-N -1 3 354.753 4.026 20 0 FIADHM O=C(NCc1ncccc1[O-])c1sc2cc(Cl)ccc2c1Cl ZINC000473637520 1102353154 /nfs/dbraw/zinc/35/31/54/1102353154.db2.gz BNXQVSLIVUYJLO-UHFFFAOYSA-N -1 3 353.230 4.239 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nc(C)cs1 ZINC000104759535 1102373964 /nfs/dbraw/zinc/37/39/64/1102373964.db2.gz SFDOJOPOUIYDBF-JTQLQIEISA-N -1 3 365.307 4.188 20 0 FIADHM Cc1nc(C(=O)[N-]c2c(F)cccc2F)nn1-c1ccccc1C(C)C ZINC000121343531 1102386330 /nfs/dbraw/zinc/38/63/30/1102386330.db2.gz YBUPKRGBSPYEJO-UHFFFAOYSA-N -1 3 356.376 4.230 20 0 FIADHM Cc1cc(Br)oc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000048706513 1102424793 /nfs/dbraw/zinc/42/47/93/1102424793.db2.gz ATMJPSJWOMUMFN-UHFFFAOYSA-N -1 3 370.253 4.183 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(C)cc3[O-])c2)cc1 ZINC000059786865 1102429702 /nfs/dbraw/zinc/42/97/02/1102429702.db2.gz SIPFPUDDDSBNJS-UHFFFAOYSA-N -1 3 374.440 4.191 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)c(C)c3)c2)n1 ZINC000121993167 1102507725 /nfs/dbraw/zinc/50/77/25/1102507725.db2.gz JWIVOVNYKDZQQB-UHFFFAOYSA-N -1 3 367.836 4.213 20 0 FIADHM O=c1cc(CN2CCC[C@H]2c2nc3ccccc3s2)nc(C2CC2)[n-]1 ZINC000459294668 1102740173 /nfs/dbraw/zinc/74/01/73/1102740173.db2.gz CJNAJOISGIFXIE-HNNXBMFYSA-N -1 3 352.463 4.006 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCC(F)CC1 ZINC001213249484 1102759763 /nfs/dbraw/zinc/75/97/63/1102759763.db2.gz YIXPNTGHQODCCO-GRZMOONWSA-N -1 3 354.274 4.189 20 0 FIADHM CCOc1cc(CN2CCO[C@@H](c3cccs3)C2)cc(Cl)c1[O-] ZINC000459317647 1102797628 /nfs/dbraw/zinc/79/76/28/1102797628.db2.gz BBZAJKSMXQEWRY-OAHLLOKOSA-N -1 3 353.871 4.079 20 0 FIADHM CCOc1cc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(Cl)c1[O-] ZINC000459351006 1102886205 /nfs/dbraw/zinc/88/62/05/1102886205.db2.gz ZGLDPAZMKNGSDC-YVEFUNNKSA-N -1 3 367.898 4.468 20 0 FIADHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1cocn1 ZINC000729648114 1102890297 /nfs/dbraw/zinc/89/02/97/1102890297.db2.gz KGXZFLHSKMIWMS-UHFFFAOYSA-N -1 3 356.403 4.141 20 0 FIADHM Brc1cccc(-c2nc(-c3noc(-c4cccs4)n3)n[n-]2)c1 ZINC000551073852 1102892955 /nfs/dbraw/zinc/89/29/55/1102892955.db2.gz UWDJUXMDDZTQOG-UHFFFAOYSA-N -1 3 374.223 4.013 20 0 FIADHM COCCCOc1ccccc1NCc1cccc([O-])c1Br ZINC000459353506 1102899543 /nfs/dbraw/zinc/89/95/43/1102899543.db2.gz SUKPEHPOYUTDOZ-UHFFFAOYSA-N -1 3 366.255 4.182 20 0 FIADHM CC12CC3(C)CC(C)(C1)CC(C(=O)N=c1cc([C@H]4CCCO4)[n-][nH]1)(C2)C3 ZINC000473844049 1102905882 /nfs/dbraw/zinc/90/58/82/1102905882.db2.gz AISOORKTYJLDMI-HKOIMECGSA-N -1 3 357.498 4.008 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)c(Cl)c1)c1ccsc1 ZINC000426688184 1102934012 /nfs/dbraw/zinc/93/40/12/1102934012.db2.gz OJUNTAOICNJGQL-GFCCVEGCSA-N -1 3 361.797 4.309 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(-c2cccnc2)c1)c1ccc(Cl)c(F)c1 ZINC000426724273 1102943117 /nfs/dbraw/zinc/94/31/17/1102943117.db2.gz QXEXURRFJUBOFV-LJQANCHMSA-N -1 3 370.811 4.457 20 0 FIADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1Br ZINC000426737259 1102956012 /nfs/dbraw/zinc/95/60/12/1102956012.db2.gz NECPJXKCAQASNL-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000426738544 1102956870 /nfs/dbraw/zinc/95/68/70/1102956870.db2.gz XBFUVVAUDPFPQW-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM CCCOc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC ZINC000426743083 1102959335 /nfs/dbraw/zinc/95/93/35/1102959335.db2.gz RVEAPZXNKRHOIR-FQEVSTJZSA-N -1 3 357.450 4.016 20 0 FIADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OCC ZINC000426744142 1102959373 /nfs/dbraw/zinc/95/93/73/1102959373.db2.gz QBHIJRKICBVFNU-FQEVSTJZSA-N -1 3 357.450 4.016 20 0 FIADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426744022 1102960179 /nfs/dbraw/zinc/96/01/79/1102960179.db2.gz VSONJLJGBUKBPW-SFHVURJKSA-N -1 3 363.841 4.053 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000426745678 1102961761 /nfs/dbraw/zinc/96/17/61/1102961761.db2.gz HPSNJFZMDOCGRX-CQSZACIVSA-N -1 3 354.631 4.018 20 0 FIADHM CCCOc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC ZINC000426763242 1102963477 /nfs/dbraw/zinc/96/34/77/1102963477.db2.gz RJIJFZNGIQGAEN-FQEVSTJZSA-N -1 3 357.450 4.016 20 0 FIADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1ccc(Cl)cc1F ZINC000426747527 1102965935 /nfs/dbraw/zinc/96/59/35/1102965935.db2.gz PYECFWIQJQIVSR-OAHLLOKOSA-N -1 3 360.187 4.057 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000426754106 1102969637 /nfs/dbraw/zinc/96/96/37/1102969637.db2.gz NQBQDSKPPFIYPU-LRDDRELGSA-N -1 3 358.488 4.423 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cccc3c2OC(C)(C)C3)cc1 ZINC000426755351 1102971514 /nfs/dbraw/zinc/97/15/14/1102971514.db2.gz YOOPTGKBHHLGFK-IBGZPJMESA-N -1 3 369.461 4.104 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000426762062 1102975152 /nfs/dbraw/zinc/97/51/52/1102975152.db2.gz GYVDAGSAMIAIRA-MRXNPFEDSA-N -1 3 371.330 4.159 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(C)(C)C)cc2)cc1OC ZINC000426778959 1102982058 /nfs/dbraw/zinc/98/20/58/1102982058.db2.gz CDCPNPRONCVIFK-SFHVURJKSA-N -1 3 371.477 4.307 20 0 FIADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2F)n1 ZINC000614857988 1102991153 /nfs/dbraw/zinc/99/11/53/1102991153.db2.gz SQYXOGDOSJYHGG-UHFFFAOYSA-N -1 3 373.453 4.046 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000426788380 1102991697 /nfs/dbraw/zinc/99/16/97/1102991697.db2.gz MPEZZTYFBAOVNZ-OAQYLSRUSA-N -1 3 365.404 4.320 20 0 FIADHM Cc1cc([C@H](NCc2cccc(Br)c2)C(=O)[O-])ccc1Cl ZINC000426798273 1102996911 /nfs/dbraw/zinc/99/69/11/1102996911.db2.gz HQJMYEDYBHYCQL-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(OCC(C)C)c2)c1 ZINC000426802823 1103000347 /nfs/dbraw/zinc/00/03/47/1103000347.db2.gz XZHRCLOSHHYZCF-FQEVSTJZSA-N -1 3 357.450 4.036 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(OC(F)F)cc1)c1cccc(Cl)c1 ZINC000426809208 1103003809 /nfs/dbraw/zinc/00/38/09/1103003809.db2.gz UECVFQKJVPYKCG-HNNXBMFYSA-N -1 3 355.768 4.247 20 0 FIADHM CCc1ccc([C@@H](NCc2cccc(OCC(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426812738 1103008238 /nfs/dbraw/zinc/00/82/38/1103008238.db2.gz RSTWZWLMGDBXGZ-QGZVFWFLSA-N -1 3 367.367 4.106 20 0 FIADHM Cc1nc(COc2ccc(CN[C@H](C(=O)[O-])c3ccsc3)cc2)cs1 ZINC000426838139 1103031021 /nfs/dbraw/zinc/03/10/21/1103031021.db2.gz ZEXBJIRELNWWME-KRWDZBQOSA-N -1 3 374.487 4.008 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccnn3[C@H](C)CC(C)C)c[n-]c12 ZINC000426889544 1103077032 /nfs/dbraw/zinc/07/70/32/1103077032.db2.gz NNWWVBGRYDWOQR-CYBMUJFWSA-N -1 3 370.428 4.032 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC2(CCCC2)c2c1cccc2F ZINC000194987614 1103076956 /nfs/dbraw/zinc/07/69/56/1103076956.db2.gz GGVIGXMTABHYRV-UHFFFAOYSA-N -1 3 362.404 4.139 20 0 FIADHM O=C(CCc1ccc(F)cc1F)Nc1ccc(Br)cc1[O-] ZINC000532778866 1103199769 /nfs/dbraw/zinc/19/97/69/1103199769.db2.gz MSXURBCIXCRXFH-UHFFFAOYSA-N -1 3 356.166 4.004 20 0 FIADHM COc1ccc(-c2cncc(C(=O)Nc3ccc(Cl)cc3[O-])c2)cc1 ZINC000532838306 1103262828 /nfs/dbraw/zinc/26/28/28/1103262828.db2.gz WISVFSHTYDVRCN-UHFFFAOYSA-N -1 3 354.793 4.369 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)c1nccs1 ZINC000551499194 1103285828 /nfs/dbraw/zinc/28/58/28/1103285828.db2.gz MVSBNFFZGQJADW-ZDUSSCGKSA-N -1 3 358.916 4.350 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2csc(-c3ccccc3F)n2)n1 ZINC000477356389 1103395937 /nfs/dbraw/zinc/39/59/37/1103395937.db2.gz YUCPOLIVENFWBB-UHFFFAOYSA-N -1 3 361.467 4.441 20 0 FIADHM O=c1ccnc(C(=Cc2c[nH]c(-c3ccccc3)n2)Cc2ccccc2)[n-]1 ZINC000427290469 1103415465 /nfs/dbraw/zinc/41/54/65/1103415465.db2.gz VKPCLTUPYUWPRM-NBVRZTHBSA-N -1 3 354.413 4.356 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Cl)cc1F ZINC000507605671 1103525412 /nfs/dbraw/zinc/52/54/12/1103525412.db2.gz NXHMKZBSIFSQHA-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2csc(-c3cnccn3)n2)c1F ZINC000551714993 1103554198 /nfs/dbraw/zinc/55/41/98/1103554198.db2.gz DYQXBQBVIVHHEN-UHFFFAOYSA-N -1 3 366.780 4.092 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cnc(-c2ccsc2)s1 ZINC000112393685 1103609810 /nfs/dbraw/zinc/60/98/10/1103609810.db2.gz KJQSLLWMASCFPB-UHFFFAOYSA-N -1 3 371.422 4.048 20 0 FIADHM CC1(C)CC[C@H]2C[C@H](NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c3cccc1c32 ZINC000519619415 1103746178 /nfs/dbraw/zinc/74/61/78/1103746178.db2.gz WPAGNHSWPIYSLJ-BBRMVZONSA-N -1 3 363.461 4.089 20 0 FIADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1c2ccccc2-c2ccccc21 ZINC000477638259 1103748451 /nfs/dbraw/zinc/74/84/51/1103748451.db2.gz RBSVLQKBMWZCMB-UHFFFAOYSA-N -1 3 366.420 4.370 20 0 FIADHM O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc([O-])ccc1Cl ZINC000519858320 1103905284 /nfs/dbraw/zinc/90/52/84/1103905284.db2.gz LZOXJDFUDOTSIK-UHFFFAOYSA-N -1 3 365.886 4.130 20 0 FIADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000440756417 1103919331 /nfs/dbraw/zinc/91/93/31/1103919331.db2.gz VTNJOAGOPFKMPS-UHFFFAOYSA-N -1 3 356.403 4.196 20 0 FIADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Sc1ccccc1 ZINC000460686676 1103968467 /nfs/dbraw/zinc/96/84/67/1103968467.db2.gz GHBZUGWFNHNBJE-UHFFFAOYSA-N -1 3 373.441 4.270 20 0 FIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1Sc1ccccc1 ZINC000460686676 1103968473 /nfs/dbraw/zinc/96/84/73/1103968473.db2.gz GHBZUGWFNHNBJE-UHFFFAOYSA-N -1 3 373.441 4.270 20 0 FIADHM O[C@@H](CSc1nnc([N-]c2ccccc2F)s1)c1ccccc1F ZINC000028911113 1103998288 /nfs/dbraw/zinc/99/82/88/1103998288.db2.gz PUSGHBLGHRFIDR-AWEZNQCLSA-N -1 3 365.430 4.386 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000440989918 1104064445 /nfs/dbraw/zinc/06/44/45/1104064445.db2.gz UMKGXFAIUBFILJ-MRXNPFEDSA-N -1 3 364.367 4.014 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000441015478 1104077570 /nfs/dbraw/zinc/07/75/70/1104077570.db2.gz YWXJPNHUYAPCJI-JQWIXIFHSA-N -1 3 357.278 4.431 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c(C)o1 ZINC000461108156 1104086714 /nfs/dbraw/zinc/08/67/14/1104086714.db2.gz PFXHVJARKWKTNN-UHFFFAOYSA-N -1 3 358.257 4.077 20 0 FIADHM CCC(CC)n1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)n1 ZINC000461093108 1104091110 /nfs/dbraw/zinc/09/11/10/1104091110.db2.gz UZPVIRLTTSTCBA-UHFFFAOYSA-N -1 3 353.344 4.116 20 0 FIADHM CCc1ccc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c([O-])c1 ZINC000188294586 1104145949 /nfs/dbraw/zinc/14/59/49/1104145949.db2.gz ACTWXFNKEAJVEN-UHFFFAOYSA-N -1 3 350.422 4.046 20 0 FIADHM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1c[n-]c2ccccc2c1=O ZINC000113199824 1104496592 /nfs/dbraw/zinc/49/65/92/1104496592.db2.gz NLZNUKJUSWBEJX-MRXNPFEDSA-N -1 3 373.239 4.252 20 0 FIADHM CCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000190225151 1104885394 /nfs/dbraw/zinc/88/53/94/1104885394.db2.gz NCUDMKPGDNFYJQ-UHFFFAOYSA-N -1 3 371.864 4.343 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000487393867 1104980933 /nfs/dbraw/zinc/98/09/33/1104980933.db2.gz XJYKVOXQUBSXFV-LLVKDONJSA-N -1 3 374.799 4.346 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000487393871 1104981509 /nfs/dbraw/zinc/98/15/09/1104981509.db2.gz XJYKVOXQUBSXFV-NSHDSACASA-N -1 3 374.799 4.346 20 0 FIADHM O=C([O-])[C@H]1C[C@H](NCc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000417616945 1105017716 /nfs/dbraw/zinc/01/77/16/1105017716.db2.gz HUPIXDDOELSVSK-HOCLYGCPSA-N -1 3 353.315 4.247 20 0 FIADHM Cc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(OC(F)F)cc1C ZINC000417629444 1105030485 /nfs/dbraw/zinc/03/04/85/1105030485.db2.gz QFGJYWSSYQQCCX-IRXDYDNUSA-N -1 3 361.388 4.308 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccsc1)c1ccc(Br)cc1 ZINC000417642612 1105043709 /nfs/dbraw/zinc/04/37/09/1105043709.db2.gz WECBFQWIHAYUCO-IINYFYTJSA-N -1 3 354.269 4.062 20 0 FIADHM [O-]c1cccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1Cl ZINC000507964767 1105282116 /nfs/dbraw/zinc/28/21/16/1105282116.db2.gz IDYCNBGMLOVLEA-UHFFFAOYSA-N -1 3 368.868 4.210 20 0 FIADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1C(F)(F)F ZINC000427960075 1105328903 /nfs/dbraw/zinc/32/89/03/1105328903.db2.gz SXEWIAFGOJRLOO-NSHDSACASA-N -1 3 355.331 4.360 20 0 FIADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000450896704 1106782203 /nfs/dbraw/zinc/78/22/03/1106782203.db2.gz NZRPNPNDDWAISA-YPMHNXCESA-N -1 3 374.828 4.024 20 0 FIADHM CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C)c1ccccc1 ZINC000451013532 1106893586 /nfs/dbraw/zinc/89/35/86/1106893586.db2.gz ALKWJRFPRMOLAC-MRXNPFEDSA-N -1 3 373.396 4.143 20 0 FIADHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc(Cl)ccc1OCC1CC1 ZINC000530175508 1106904815 /nfs/dbraw/zinc/90/48/15/1106904815.db2.gz QAGUNJNKVXUESE-AGGWBTHJSA-N -1 3 351.874 4.202 20 0 FIADHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(Cl)ccc1OCC1CC1 ZINC000530175509 1106905183 /nfs/dbraw/zinc/90/51/83/1106905183.db2.gz QAGUNJNKVXUESE-CHWSQXEVSA-N -1 3 351.874 4.202 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4ccccc4)[C@H]3C)nc2)n1 ZINC000301584334 1107077760 /nfs/dbraw/zinc/07/77/60/1107077760.db2.gz QQHSJDZGTFXYBV-DNVCBOLYSA-N -1 3 360.461 4.189 20 0 FIADHM Cc1ccc(-c2nnc(SCc3cc(=O)[n-]c(C4CC4)n3)o2)cc1C ZINC000665685489 1107192724 /nfs/dbraw/zinc/19/27/24/1107192724.db2.gz BINPUXHEUFBLJU-UHFFFAOYSA-N -1 3 354.435 4.019 20 0 FIADHM CCc1cccc(C(=O)N(C)Cc2cc(Br)cs2)c1[O-] ZINC000530641589 1107218772 /nfs/dbraw/zinc/21/87/72/1107218772.db2.gz GLODVQNLOHFSML-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM CCCc1nc(C)c(C(=O)Nc2cc(Br)ccc2[O-])s1 ZINC000530777600 1107313750 /nfs/dbraw/zinc/31/37/50/1107313750.db2.gz HZZVGMXVMYGTMH-UHFFFAOYSA-N -1 3 355.257 4.124 20 0 FIADHM O=C(C/C=C\c1ccc(F)cc1)Nc1ccc(Br)cc1[O-] ZINC000530854493 1107360247 /nfs/dbraw/zinc/36/02/47/1107360247.db2.gz JTYYJBLCGHCCPT-UPHRSURJSA-N -1 3 350.187 4.336 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000530842199 1107364024 /nfs/dbraw/zinc/36/40/24/1107364024.db2.gz ILWLDUJSUBCSDG-UHFFFAOYSA-N -1 3 352.365 4.066 20 0 FIADHM COc1ccc(-c2nc(C)c(C(=O)Nc3cc(F)ccc3[O-])s2)cc1 ZINC000530896482 1107387162 /nfs/dbraw/zinc/38/71/62/1107387162.db2.gz VNHPTKBHRXIMQH-UHFFFAOYSA-N -1 3 358.394 4.224 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000665720281 1107482565 /nfs/dbraw/zinc/48/25/65/1107482565.db2.gz UIXYFBCKROHVDW-QGZVFWFLSA-N -1 3 354.425 4.011 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c1 ZINC000444403623 1107555595 /nfs/dbraw/zinc/55/55/95/1107555595.db2.gz IDDPJIKKPCTHTM-ORAYPTAESA-N -1 3 359.853 4.210 20 0 FIADHM Cc1ccccc1COc1cccc(CC(=O)[N-]OCc2ccccc2)c1 ZINC000303340411 1107645586 /nfs/dbraw/zinc/64/55/86/1107645586.db2.gz YVCDOQCMRPZUCJ-UHFFFAOYSA-N -1 3 361.441 4.365 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000475593509 1107869822 /nfs/dbraw/zinc/86/98/22/1107869822.db2.gz CDTHSKTTWCVZLD-UHFFFAOYSA-N -1 3 371.356 4.125 20 0 FIADHM C[C@@H]1C[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](c2ccccc2)C1 ZINC000666001707 1107878919 /nfs/dbraw/zinc/87/89/19/1107878919.db2.gz PGMZIOCULVRVAB-SZMVWBNQSA-N -1 3 360.457 4.230 20 0 FIADHM C[C@@H](SC[C@@H]1CCOC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000546542424 1107964072 /nfs/dbraw/zinc/96/40/72/1107964072.db2.gz UEILRPVJBPRSKQ-GHMZBOCLSA-N -1 3 362.476 4.488 20 0 FIADHM CCO[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H]1C ZINC000452847231 1107974724 /nfs/dbraw/zinc/97/47/24/1107974724.db2.gz XKQHJASPEVBZJY-VGOFRKELSA-N -1 3 367.489 4.065 20 0 FIADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523468408 1108239067 /nfs/dbraw/zinc/23/90/67/1108239067.db2.gz HBAGPYHYWAETGL-SNVBAGLBSA-N -1 3 371.239 4.269 20 0 FIADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000523470343 1108241027 /nfs/dbraw/zinc/24/10/27/1108241027.db2.gz BRYPHMUHTCCQNN-KRWDZBQOSA-N -1 3 350.821 4.381 20 0 FIADHM O=C(NCc1cccc(Oc2ccccc2)c1)NCc1ccc([O-])c(F)c1 ZINC000523512868 1108277157 /nfs/dbraw/zinc/27/71/57/1108277157.db2.gz WPPCHADQNLPPSU-UHFFFAOYSA-N -1 3 366.392 4.323 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F ZINC000523661653 1108416386 /nfs/dbraw/zinc/41/63/86/1108416386.db2.gz OIENAVYLCSFXTH-UHFFFAOYSA-N -1 3 364.327 4.057 20 0 FIADHM O=S(=O)(Cc1cccc(F)c1)[N-]c1nc2ccccc2n1C1CCCC1 ZINC000532065775 1108600918 /nfs/dbraw/zinc/60/09/18/1108600918.db2.gz NOLJBRRBEYMNBQ-UHFFFAOYSA-N -1 3 373.453 4.232 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)c(O)c(OCC)c2)CC)n1 ZINC000193618616 1108784364 /nfs/dbraw/zinc/78/43/64/1108784364.db2.gz XNRXSBHSMZSLDX-MDWZMJQESA-N -1 3 362.857 4.431 20 0 FIADHM COc1cc(-c2nc(-c3oc4ccccc4c3C)no2)cc(OC)c1[O-] ZINC000445503869 1108819565 /nfs/dbraw/zinc/81/95/65/1108819565.db2.gz LMEQIWDFAGPSGW-UHFFFAOYSA-N -1 3 352.346 4.181 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1 ZINC000524300612 1108957581 /nfs/dbraw/zinc/95/75/81/1108957581.db2.gz CFHBWOHBCIOZGT-UHFFFAOYSA-N -1 3 351.493 4.139 20 0 FIADHM O=S(=O)([N-][C@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccco1 ZINC000445712418 1108963264 /nfs/dbraw/zinc/96/32/64/1108963264.db2.gz RSZJEVXDHDTXJV-QGZVFWFLSA-N -1 3 361.850 4.195 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1Cl ZINC000446377252 1109204966 /nfs/dbraw/zinc/20/49/66/1109204966.db2.gz QIEHEONXFCVLGA-SNVBAGLBSA-N -1 3 361.228 4.326 20 0 FIADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1C(F)(F)F ZINC000525235746 1109314628 /nfs/dbraw/zinc/31/46/28/1109314628.db2.gz VGETYCXGTTZPOZ-SNVBAGLBSA-N -1 3 364.327 4.216 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)cc2)cc(=O)[n-]1 ZINC000525266540 1109324664 /nfs/dbraw/zinc/32/46/64/1109324664.db2.gz LIZBIWHXAIESOT-QILLFSRXSA-N -1 3 366.465 4.248 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)cc2)cc(=O)[n-]1 ZINC000525266541 1109325139 /nfs/dbraw/zinc/32/51/39/1109325139.db2.gz LIZBIWHXAIESOT-UWWQBHOKSA-N -1 3 366.465 4.248 20 0 FIADHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000525289952 1109328948 /nfs/dbraw/zinc/32/89/48/1109328948.db2.gz JZFKRMWSSORXGG-GFCCVEGCSA-N -1 3 364.239 4.198 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)c(C)ccc2Cl)c1 ZINC000446971934 1109407825 /nfs/dbraw/zinc/40/78/25/1109407825.db2.gz PHDPUJDHUDYDOU-UHFFFAOYSA-N -1 3 360.262 4.420 20 0 FIADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C(C)(C)c1c(C)noc1C ZINC001271879384 1109414741 /nfs/dbraw/zinc/41/47/41/1109414741.db2.gz NPGRGRMOJDMIMN-UHFFFAOYSA-N -1 3 372.799 4.097 20 0 FIADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447264620 1109490577 /nfs/dbraw/zinc/49/05/77/1109490577.db2.gz MYDLDMRBZHWART-UHFFFAOYSA-N -1 3 373.405 4.479 20 0 FIADHM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000509657354 1109605612 /nfs/dbraw/zinc/60/56/12/1109605612.db2.gz XISMONVYILZEQC-UHFFFAOYSA-N -1 3 368.644 4.264 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccn(C2CCCCC2)n1 ZINC000527156534 1109703972 /nfs/dbraw/zinc/70/39/72/1109703972.db2.gz VHINLWRHAXSKEY-UHFFFAOYSA-N -1 3 364.243 4.109 20 0 FIADHM CCOC(=O)c1cccc(N(CC)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527157807 1109704007 /nfs/dbraw/zinc/70/40/07/1109704007.db2.gz ALMCVYXTOJSSHL-UHFFFAOYSA-N -1 3 363.413 4.389 20 0 FIADHM Cc1ccc(-c2ocnc2C(=O)N=c2cc(-c3ccccc3F)o[n-]2)cc1 ZINC000448490216 1109807589 /nfs/dbraw/zinc/80/75/89/1109807589.db2.gz APBMTQCMIOSMDK-UHFFFAOYSA-N -1 3 363.348 4.118 20 0 FIADHM C[C@H]1CC[C@@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)O1 ZINC000528228882 1109940390 /nfs/dbraw/zinc/94/03/90/1109940390.db2.gz DDONXEVJMHXEAC-UGSOOPFHSA-N -1 3 352.390 4.261 20 0 FIADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc([O-])cc(Br)c1 ZINC000528643965 1110056660 /nfs/dbraw/zinc/05/66/60/1110056660.db2.gz IHTVUWOJDMLKBM-INIZCTEOSA-N -1 3 363.255 4.163 20 0 FIADHM C[C@H]1CC(F)(F)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000528769511 1110107512 /nfs/dbraw/zinc/10/75/12/1110107512.db2.gz OEIBFUPGRNUEMK-JTQLQIEISA-N -1 3 365.405 4.277 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c1Cl ZINC000443176497 1110194425 /nfs/dbraw/zinc/19/44/25/1110194425.db2.gz JMCGTJBTSWRDBJ-JTQLQIEISA-N -1 3 360.262 4.047 20 0 FIADHM CC(C)(C)Oc1c(F)cc(NC(=O)Cc2ccc([O-])c(F)c2)cc1F ZINC000450527460 1110310976 /nfs/dbraw/zinc/31/09/76/1110310976.db2.gz KWSMSUACXUPLTG-UHFFFAOYSA-N -1 3 353.340 4.168 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000450571221 1110315546 /nfs/dbraw/zinc/31/55/46/1110315546.db2.gz QXSOLOWIGVILEO-AWEZNQCLSA-N -1 3 367.342 4.109 20 0 FIADHM O=C(N[C@H](c1ccccn1)C1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000529832487 1110322280 /nfs/dbraw/zinc/32/22/80/1110322280.db2.gz RQBJAPHZCMPCHP-INIZCTEOSA-N -1 3 350.340 4.077 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000539103242 1111435311 /nfs/dbraw/zinc/43/53/11/1111435311.db2.gz AJTHRINCEAVIAM-STQMWFEESA-N -1 3 350.187 4.036 20 0 FIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000552034547 1111492613 /nfs/dbraw/zinc/49/26/13/1111492613.db2.gz AMKDTLYVKSAIPM-UHFFFAOYSA-N -1 3 374.853 4.208 20 0 FIADHM Cc1ccc(-c2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)cc1 ZINC000462103633 1111494381 /nfs/dbraw/zinc/49/43/81/1111494381.db2.gz GXHMTNUCEFZZND-UHFFFAOYSA-N -1 3 362.414 4.421 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cccc(-c3csc(C)n3)c2)c1[O-] ZINC000552069373 1111566119 /nfs/dbraw/zinc/56/61/19/1111566119.db2.gz PJDMCQHXIOAGDR-UHFFFAOYSA-N -1 3 352.415 4.279 20 0 FIADHM Cc1cc2sc([N-]C(=O)c3cc(-c4ccccn4)no3)nc2cc1F ZINC000478102057 1111677161 /nfs/dbraw/zinc/67/71/61/1111677161.db2.gz OMLRPJGECSIOQB-UHFFFAOYSA-N -1 3 354.366 4.046 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1cnc(OCC2CC2)c(Cl)c1 ZINC000552435342 1111705821 /nfs/dbraw/zinc/70/58/21/1111705821.db2.gz BNTUTCHNKHVDEV-UHFFFAOYSA-N -1 3 353.205 4.135 20 0 FIADHM CN(CCc1cccc(Br)c1)C(=O)c1cc([O-])ccc1Cl ZINC000552930212 1111852646 /nfs/dbraw/zinc/85/26/46/1111852646.db2.gz UEYVKQKGZPNHRC-UHFFFAOYSA-N -1 3 368.658 4.123 20 0 FIADHM O=c1[n-]c(CSCc2ccc3c(c2)OCO3)nc2c3ccccc3oc21 ZINC000478764259 1111876781 /nfs/dbraw/zinc/87/67/81/1111876781.db2.gz XSOFLRUOUTXBIC-UHFFFAOYSA-N -1 3 366.398 4.244 20 0 FIADHM CN(C)c1nc2sc(C(=O)[N-]c3cc(F)cc(F)c3F)cc2s1 ZINC000554073037 1112183974 /nfs/dbraw/zinc/18/39/74/1112183974.db2.gz JFMRERBMZLNYSN-UHFFFAOYSA-N -1 3 357.382 4.093 20 0 FIADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@H]1CCC(F)(F)C1 ZINC000479908100 1112193248 /nfs/dbraw/zinc/19/32/48/1112193248.db2.gz FKFIDAJRSPJUBG-QMMMGPOBSA-N -1 3 360.191 4.179 20 0 FIADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000480078528 1112264959 /nfs/dbraw/zinc/26/49/59/1112264959.db2.gz XFOISDREFZOCOX-UHFFFAOYSA-N -1 3 359.278 4.487 20 0 FIADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000480110134 1112283645 /nfs/dbraw/zinc/28/36/45/1112283645.db2.gz AJMYSUITFKAJBK-UHFFFAOYSA-N -1 3 359.385 4.233 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)[C@H]3c3ccccc3)cc2)cc(=O)[n-]1 ZINC000480361640 1112400159 /nfs/dbraw/zinc/40/01/59/1112400159.db2.gz VDKCWDBUDNZFMV-QKKBWIMNSA-N -1 3 374.444 4.383 20 0 FIADHM CCC[C@H]1CCc2nc([N-]C(=O)c3ncoc3C(F)(F)F)sc2C1 ZINC000667726540 1112548542 /nfs/dbraw/zinc/54/85/42/1112548542.db2.gz DTVPDALHYUYGNR-QMMMGPOBSA-N -1 3 359.373 4.307 20 0 FIADHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2nnc(-c3ccccc3)s2)s1 ZINC000554957977 1112592056 /nfs/dbraw/zinc/59/20/56/1112592056.db2.gz JSGOQJYEBVZIPG-UHFFFAOYSA-N -1 3 374.491 4.104 20 0 FIADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448664574 1112968857 /nfs/dbraw/zinc/96/88/57/1112968857.db2.gz JQVNMMLDKGWPSC-LLVKDONJSA-N -1 3 355.331 4.312 20 0 FIADHM Cc1ccc(CN(CCCC(C)C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)o1 ZINC000899783532 1112990600 /nfs/dbraw/zinc/99/06/00/1112990600.db2.gz ZDACAKZTNDTNBE-UHFFFAOYSA-N -1 3 357.454 4.040 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(C)c(N4CCCC4)c3)no2)c1[O-] ZINC000556015922 1113104818 /nfs/dbraw/zinc/10/48/18/1113104818.db2.gz CNBVZQCELFGPJX-UHFFFAOYSA-N -1 3 351.406 4.026 20 0 FIADHM CCc1ccc([C@H]2CN(C(=O)CCCc3ccc([O-])c(F)c3)CCO2)cc1 ZINC000482062211 1113164025 /nfs/dbraw/zinc/16/40/25/1113164025.db2.gz QZLSZVZNSCVERR-OAQYLSRUSA-N -1 3 371.452 4.017 20 0 FIADHM COc1ccc(-c2cc3[n-]c(CN4CC[C@@H](C)[C@@H]4C)nc(=O)c3s2)cc1 ZINC000253551308 1113369120 /nfs/dbraw/zinc/36/91/20/1113369120.db2.gz MPVBLKPXBARYPA-OLZOCXBDSA-N -1 3 369.490 4.303 20 0 FIADHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)c1cc2ccccc2o1 ZINC000162298891 1113453538 /nfs/dbraw/zinc/45/35/38/1113453538.db2.gz RDSAMVDDONERPQ-CYBMUJFWSA-N -1 3 369.417 4.379 20 0 FIADHM O=c1cc(C=Cc2cccc(OC3CCCC3)c2)nc(-c2ccncc2)[n-]1 ZINC000486004106 1113487512 /nfs/dbraw/zinc/48/75/12/1113487512.db2.gz TTYLTSVALPETAR-HJWRWDBZSA-N -1 3 359.429 4.324 20 0 FIADHM COc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c2ccccc12 ZINC000486053330 1113492854 /nfs/dbraw/zinc/49/28/54/1113492854.db2.gz QUHYTTJFGQDKHL-SOFGYWHQSA-N -1 3 355.397 4.164 20 0 FIADHM Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc(C)c1OC(F)F ZINC000486079975 1113500197 /nfs/dbraw/zinc/50/01/97/1113500197.db2.gz YIPOEIDJKGRVJC-ARJAWSKDSA-N -1 3 369.371 4.221 20 0 FIADHM Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1Br ZINC000486101069 1113505046 /nfs/dbraw/zinc/50/50/46/1113505046.db2.gz CWJHYHVHWJWMDQ-PLNGDYQASA-N -1 3 368.234 4.073 20 0 FIADHM O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000907640620 1113561498 /nfs/dbraw/zinc/56/14/98/1113561498.db2.gz SUPJYNBQEBOEDZ-UHFFFAOYSA-N -1 3 373.840 4.144 20 0 FIADHM CC(C)(C)C[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486434604 1113567548 /nfs/dbraw/zinc/56/75/48/1113567548.db2.gz XWPMZVYDNTYLJU-ZDUSSCGKSA-N -1 3 369.303 4.265 20 0 FIADHM C[C@H](/N=C/c1cc(Br)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000044011420 1113881300 /nfs/dbraw/zinc/88/13/00/1113881300.db2.gz VLZIMBZLDHQIAH-KKBVUKDESA-N -1 3 373.250 4.220 20 0 FIADHM CC(C)(CC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000488660423 1113972070 /nfs/dbraw/zinc/97/20/70/1113972070.db2.gz RWFAOZVCTABVSP-UHFFFAOYSA-N -1 3 362.267 4.139 20 0 FIADHM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1ccc(F)cc1C(F)(F)F ZINC000488826111 1114001007 /nfs/dbraw/zinc/00/10/07/1114001007.db2.gz SHGONRXGJFGOTN-MRXNPFEDSA-N -1 3 373.371 4.274 20 0 FIADHM CC(C)(C)c1ccc(C(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000913295096 1114324214 /nfs/dbraw/zinc/32/42/14/1114324214.db2.gz BBABPIVFNVFSMY-UHFFFAOYSA-N -1 3 352.390 4.007 20 0 FIADHM CC(C)(C)c1ccc(C(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000913295096 1114324217 /nfs/dbraw/zinc/32/42/17/1114324217.db2.gz BBABPIVFNVFSMY-UHFFFAOYSA-N -1 3 352.390 4.007 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C)sc2C)[nH][n-]1 ZINC000586760710 1114389413 /nfs/dbraw/zinc/38/94/13/1114389413.db2.gz KOYJHGSYKSHXDE-UHFFFAOYSA-N -1 3 361.854 4.091 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(OCC3CCCCC3)CC2)c1 ZINC000669243113 1114504139 /nfs/dbraw/zinc/50/41/39/1114504139.db2.gz SSVFNDNOUDHQOL-UHFFFAOYSA-N -1 3 363.523 4.316 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c(C)c1 ZINC000571822918 1114536168 /nfs/dbraw/zinc/53/61/68/1114536168.db2.gz BCBMMJPCVPCCBG-UHFFFAOYSA-N -1 3 373.396 4.440 20 0 FIADHM CC(C)(C)OC(=O)NCCCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000156886791 1114631573 /nfs/dbraw/zinc/63/15/73/1114631573.db2.gz MSTMLQAWVMBSBR-UHFFFAOYSA-N -1 3 356.850 4.069 20 0 FIADHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000057752565 1114991456 /nfs/dbraw/zinc/99/14/56/1114991456.db2.gz JJNLIRWWAHSVAU-SJTXTDJHSA-N -1 3 359.731 4.097 20 0 FIADHM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000591398484 1115077735 /nfs/dbraw/zinc/07/77/35/1115077735.db2.gz KRFLCILNICVERI-LLVKDONJSA-N -1 3 362.303 4.329 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000591682718 1115122466 /nfs/dbraw/zinc/12/24/66/1115122466.db2.gz FHUGWGNHODUNOU-UHFFFAOYSA-N -1 3 368.458 4.024 20 0 FIADHM Cc1nc(COC(C)(C)C)oc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000573570591 1115149146 /nfs/dbraw/zinc/14/91/46/1115149146.db2.gz OUSZQFKLEPGQJI-UHFFFAOYSA-N -1 3 372.343 4.275 20 0 FIADHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Oc3ccccc3F)c(F)c1)CC2 ZINC000573688995 1115180808 /nfs/dbraw/zinc/18/08/08/1115180808.db2.gz JQBBKPPKQRVKGE-HNNXBMFYSA-N -1 3 373.399 4.444 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc(Cl)cs1 ZINC000758308550 1115199097 /nfs/dbraw/zinc/19/90/97/1115199097.db2.gz XMVJIKORVALECV-UHFFFAOYSA-N -1 3 353.831 4.235 20 0 FIADHM CC1(C)C[C@H](SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CO1 ZINC000596326711 1115583944 /nfs/dbraw/zinc/58/39/44/1115583944.db2.gz ZYKSTDGPAKASEQ-JTQLQIEISA-N -1 3 362.476 4.458 20 0 FIADHM C[C@@H](O)CCS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000596324022 1115583996 /nfs/dbraw/zinc/58/39/96/1115583996.db2.gz TXUJVGQJUSWJAR-NXEZZACHSA-N -1 3 350.465 4.222 20 0 FIADHM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000060614828 1115677005 /nfs/dbraw/zinc/67/70/05/1115677005.db2.gz GFRXQDMZHNEOPU-UHFFFAOYSA-N -1 3 365.418 4.057 20 0 FIADHM CCc1cccc2c(CC(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)c[nH]c21 ZINC000598897452 1115765959 /nfs/dbraw/zinc/76/59/59/1115765959.db2.gz UZTWVAVLNREVMD-UHFFFAOYSA-N -1 3 358.445 4.032 20 0 FIADHM C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC001212188197 1115823983 /nfs/dbraw/zinc/82/39/83/1115823983.db2.gz VTUVMURASDXPSE-SFHVURJKSA-N -1 3 367.873 4.169 20 0 FIADHM O=C(CCCc1ccccc1)[N-]OCc1ncc(-c2ccc(F)cc2)o1 ZINC000171820238 1115877624 /nfs/dbraw/zinc/87/76/24/1115877624.db2.gz MXHHYZFCXCQZFS-UHFFFAOYSA-N -1 3 354.381 4.051 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(C)c1 ZINC000605615039 1115911789 /nfs/dbraw/zinc/91/17/89/1115911789.db2.gz IKZXZUVKLXBSCA-UHFFFAOYSA-N -1 3 373.478 4.043 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1 ZINC000605889450 1115920218 /nfs/dbraw/zinc/92/02/18/1115920218.db2.gz KSZDCXMXWWFOQP-UHFFFAOYSA-N -1 3 355.434 4.012 20 0 FIADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000230406265 1115926878 /nfs/dbraw/zinc/92/68/78/1115926878.db2.gz XPZSHUVPBQVOCH-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM Cc1cccc(COc2cccc(C(=O)NCc3ccc([O-])c(F)c3)c2)c1 ZINC000606537218 1115954040 /nfs/dbraw/zinc/95/40/40/1115954040.db2.gz CIRNEXNUBAMLBA-UHFFFAOYSA-N -1 3 365.404 4.349 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000606669783 1115962097 /nfs/dbraw/zinc/96/20/97/1115962097.db2.gz GYMDEEQQLCBRID-MJGOQNOKSA-N -1 3 356.441 4.132 20 0 FIADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606714574 1115965315 /nfs/dbraw/zinc/96/53/15/1115965315.db2.gz ILQLBWJUEOYCNP-NSHDSACASA-N -1 3 370.346 4.453 20 0 FIADHM COc1ccccc1-c1cc(=NC(=O)[C@H](CC(C)C)c2ccccc2)[nH][n-]1 ZINC000607189821 1116007237 /nfs/dbraw/zinc/00/72/37/1116007237.db2.gz IPFPJNPTZUIGBA-GOSISDBHSA-N -1 3 363.461 4.276 20 0 FIADHM CCC[C@@H]1[C@H](C)CCCN1Cn1c(Cc2cccs2)n[n-]c1=S ZINC000173385921 1116055832 /nfs/dbraw/zinc/05/58/32/1116055832.db2.gz VXWDACPAKZYPPX-UKRRQHHQSA-N -1 3 350.557 4.451 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCSc2ccccc21 ZINC000607888523 1116073424 /nfs/dbraw/zinc/07/34/24/1116073424.db2.gz FQFQANBJTJWQOB-GFCCVEGCSA-N -1 3 364.264 4.373 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc2cccc(F)c2o1 ZINC000607909079 1116075086 /nfs/dbraw/zinc/07/50/86/1116075086.db2.gz DUSVSDUOVPBSFL-UHFFFAOYSA-N -1 3 356.744 4.263 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@]3(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000608283057 1116096394 /nfs/dbraw/zinc/09/63/94/1116096394.db2.gz AOKWBGOFPMFXNT-DENIHFKCSA-N -1 3 374.444 4.009 20 0 FIADHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000533972286 1116099334 /nfs/dbraw/zinc/09/93/34/1116099334.db2.gz RRHMACUCAICKNK-UHFFFAOYSA-N -1 3 350.415 4.138 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3cc4cc(F)ccc4o3)s2)cc1 ZINC000534236678 1116174133 /nfs/dbraw/zinc/17/41/33/1116174133.db2.gz UZVOUQYWSFKKHD-UHFFFAOYSA-N -1 3 369.377 4.351 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000462378347 1116341772 /nfs/dbraw/zinc/34/17/72/1116341772.db2.gz CPPGZTWKLMIDDD-MRXNPFEDSA-N -1 3 358.507 4.156 20 0 FIADHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000462710214 1116394811 /nfs/dbraw/zinc/39/48/11/1116394811.db2.gz YGZAJZRCEFDZMB-JTQLQIEISA-N -1 3 362.278 4.194 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)CCc2cccc(Br)c2)c1 ZINC000462865308 1117823803 /nfs/dbraw/zinc/82/38/03/1117823803.db2.gz XTKOSXKKLAWDFJ-UHFFFAOYSA-N -1 3 362.267 4.032 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)o1 ZINC000540213808 1117939784 /nfs/dbraw/zinc/93/97/84/1117939784.db2.gz YKWFFSWRJDITHD-NEPJUHHUSA-N -1 3 361.385 4.077 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)n1 ZINC000540409180 1118037533 /nfs/dbraw/zinc/03/75/33/1118037533.db2.gz ZVPKUOKXATUZIC-IBGZPJMESA-N -1 3 369.415 4.096 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@@H](C)C(C)C)nc(=O)c2c1C ZINC000463217029 1118040154 /nfs/dbraw/zinc/04/01/54/1118040154.db2.gz AQSOLWPCZOOLPC-QWRGUYRKSA-N -1 3 368.524 4.308 20 0 FIADHM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000464748237 1118677708 /nfs/dbraw/zinc/67/77/08/1118677708.db2.gz CWOBMAQRWQJERD-CQSZACIVSA-N -1 3 360.429 4.016 20 0 FIADHM Cc1ncc(CNCc2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)[n-]1 ZINC000542308811 1118896795 /nfs/dbraw/zinc/89/67/95/1118896795.db2.gz SAMLFQBZFXIJMJ-UHFFFAOYSA-N -1 3 364.232 4.347 20 0 FIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1csc2ccccc12 ZINC000491469878 1118953210 /nfs/dbraw/zinc/95/32/10/1118953210.db2.gz PBNDLCBIWWMSLE-UHFFFAOYSA-N -1 3 364.430 4.018 20 0 FIADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(-c2cccnc2)cc1 ZINC000176390084 1119273657 /nfs/dbraw/zinc/27/36/57/1119273657.db2.gz QWVCTCQQNUIWQB-AWEZNQCLSA-N -1 3 365.408 4.154 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC000176639519 1119286028 /nfs/dbraw/zinc/28/60/28/1119286028.db2.gz OIGVMMZUVQZJLX-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(Cl)c1F ZINC000183881707 1119587033 /nfs/dbraw/zinc/58/70/33/1119587033.db2.gz ORIWFMOEZMOOME-UHFFFAOYSA-N -1 3 372.827 4.028 20 0 FIADHM CSc1ccccc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000184886476 1119627845 /nfs/dbraw/zinc/62/78/45/1119627845.db2.gz FOYDEMFPYBISBP-UHFFFAOYSA-N -1 3 358.394 4.367 20 0 FIADHM O=[S@](Cc1cccc(NCc2cc([O-])cc(F)c2)c1)c1ccccc1 ZINC000185596501 1119674613 /nfs/dbraw/zinc/67/46/13/1119674613.db2.gz JVZUBGJHHKURDN-RUZDIDTESA-N -1 3 355.434 4.451 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2cnc(Cc3ccccc3F)s2)s1 ZINC000186055348 1119702530 /nfs/dbraw/zinc/70/25/30/1119702530.db2.gz SQTOOMXXYDKSFV-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM COc1ccc(F)c(C(=O)[N-]c2cc(Cl)ccc2SC)c1OC ZINC000191032938 1119958805 /nfs/dbraw/zinc/95/88/05/1119958805.db2.gz DFZADPJGAILYHT-UHFFFAOYSA-N -1 3 355.818 4.471 20 0 FIADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1ccc(F)cc1F ZINC000191837239 1119998200 /nfs/dbraw/zinc/99/82/00/1119998200.db2.gz BZWLXENRKBEDBM-UHFFFAOYSA-N -1 3 357.341 4.482 20 0 FIADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cccc(Cl)c1Cl ZINC000193031293 1120095892 /nfs/dbraw/zinc/09/58/92/1120095892.db2.gz FWJYCOUKZBMIJP-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM Cc1ccc([C@@H](NCc2cnc(C)[n-]c2=O)c2ccccc2Cl)cc1 ZINC000542498874 1120209340 /nfs/dbraw/zinc/20/93/40/1120209340.db2.gz JIBOQPZPTPMYRB-LJQANCHMSA-N -1 3 353.853 4.332 20 0 FIADHM O=c1nc(Cn2cnc3ccccc32)[n-]c2scc(-c3ccccc3)c21 ZINC000194145374 1120244272 /nfs/dbraw/zinc/24/42/72/1120244272.db2.gz RKZNAJFAGSEOHV-UHFFFAOYSA-N -1 3 358.426 4.050 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(N4CCOC4=O)cc3)no2)c([O-])c1 ZINC000761747070 1120320693 /nfs/dbraw/zinc/32/06/93/1120320693.db2.gz XKTRXSCSVMRICX-UHFFFAOYSA-N -1 3 365.389 4.189 20 0 FIADHM CC(C)[C@@H]1CCCN(Cn2c(Cc3cccs3)n[n-]c2=S)CC1 ZINC000153291497 1120455064 /nfs/dbraw/zinc/45/50/64/1120455064.db2.gz HFBNXPVESAJBGE-CQSZACIVSA-N -1 3 350.557 4.309 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000642323784 1120471475 /nfs/dbraw/zinc/47/14/75/1120471475.db2.gz RVFDLJBEDVOPNZ-UHFFFAOYSA-N -1 3 350.256 4.310 20 0 FIADHM O=S(=O)([N-]c1ccccc1OCC(F)F)C1=Cc2ccccc2CC1 ZINC000761907557 1120574328 /nfs/dbraw/zinc/57/43/28/1120574328.db2.gz CSHAALONMMDHBG-UHFFFAOYSA-N -1 3 365.401 4.060 20 0 FIADHM CCC[C@H](NC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000914890408 1120627669 /nfs/dbraw/zinc/62/76/69/1120627669.db2.gz FLOAOXGNOMNMMQ-BBRMVZONSA-N -1 3 370.474 4.432 20 0 FIADHM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914890389 1120627862 /nfs/dbraw/zinc/62/78/62/1120627862.db2.gz DZGRCKPJDJDIIM-SNVBAGLBSA-N -1 3 362.838 4.375 20 0 FIADHM CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000914891770 1120630079 /nfs/dbraw/zinc/63/00/79/1120630079.db2.gz SSHWJAOYSUMVTJ-UHFFFAOYSA-N -1 3 356.447 4.322 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCCCc3ccccc3)nc2)n1 ZINC000303374176 1120753622 /nfs/dbraw/zinc/75/36/22/1120753622.db2.gz KHGUSKAOHIUBJB-UHFFFAOYSA-N -1 3 362.477 4.266 20 0 FIADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1C1CC1 ZINC000762477089 1120914606 /nfs/dbraw/zinc/91/46/06/1120914606.db2.gz TTZUKMCEIGATCN-AWEZNQCLSA-N -1 3 371.506 4.461 20 0 FIADHM Cc1sc(Cl)nc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000762870068 1120984478 /nfs/dbraw/zinc/98/44/78/1120984478.db2.gz TXANFIRTTXOSHB-UHFFFAOYSA-N -1 3 364.883 4.493 20 0 FIADHM COc1ccc(C)cc1[C@@H](C)NCc1cccc([O-])c1Br ZINC000315803764 1120994740 /nfs/dbraw/zinc/99/47/40/1120994740.db2.gz DQRDUBMHAXEERW-GFCCVEGCSA-N -1 3 350.256 4.323 20 0 FIADHM O=C(Cc1cccc(Cl)c1)[N-]OCc1ccc(F)cc1Br ZINC000781119781 1120995211 /nfs/dbraw/zinc/99/52/11/1120995211.db2.gz MCLRWJQRVAFPFO-UHFFFAOYSA-N -1 3 372.621 4.032 20 0 FIADHM CCO[C@H](C)c1nc(CO[N-]C(=O)Cc2cccc3ccccc32)cs1 ZINC000153720046 1121053680 /nfs/dbraw/zinc/05/36/80/1121053680.db2.gz WDZDHHNFCPICDE-CQSZACIVSA-N -1 3 370.474 4.184 20 0 FIADHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000763086807 1121111913 /nfs/dbraw/zinc/11/19/13/1121111913.db2.gz PFFBSEJDOTTZFL-UHFFFAOYSA-N -1 3 358.507 4.302 20 0 FIADHM O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000472206574 1121199826 /nfs/dbraw/zinc/19/98/26/1121199826.db2.gz NLWROXOHDXZCDC-UHFFFAOYSA-N -1 3 365.404 4.120 20 0 FIADHM O=C(C[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1)c1cccs1 ZINC000472247585 1121202076 /nfs/dbraw/zinc/20/20/76/1121202076.db2.gz FOPRSAQFPFMTTN-INIZCTEOSA-N -1 3 365.454 4.485 20 0 FIADHM COc1cc(CN(C(=O)c2cc([O-])c3ccccc3c2)C2CC2)ccc1O ZINC000472363447 1121226455 /nfs/dbraw/zinc/22/64/55/1121226455.db2.gz YQXDMOZIVWHYRU-UHFFFAOYSA-N -1 3 363.413 4.064 20 0 FIADHM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000507575455 1121238092 /nfs/dbraw/zinc/23/80/92/1121238092.db2.gz ZFTWTQLGYUBSII-ZDUSSCGKSA-N -1 3 352.337 4.035 20 0 FIADHM COc1c(Br)cccc1CNCc1ccc([O-])c(Cl)c1 ZINC000084056528 1121288852 /nfs/dbraw/zinc/28/88/52/1121288852.db2.gz XSQGGSCNQJGMMU-UHFFFAOYSA-N -1 3 356.647 4.107 20 0 FIADHM Cc1ccc(OCc2nc(CSCc3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000763219167 1121293350 /nfs/dbraw/zinc/29/33/50/1121293350.db2.gz XKMWODDVGRTLMJ-UHFFFAOYSA-N -1 3 373.503 4.268 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000056080528 1121296588 /nfs/dbraw/zinc/29/65/88/1121296588.db2.gz UBKFTBGMFFLLEF-SFHVURJKSA-N -1 3 352.821 4.159 20 0 FIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2cc(Cl)ccc2o1 ZINC000046756141 1121297320 /nfs/dbraw/zinc/29/73/20/1121297320.db2.gz MFZKTOIDJHYNHI-UHFFFAOYSA-N -1 3 356.794 4.252 20 0 FIADHM CCc1cccc(Oc2ccc(NC([O-])=NO[C@H]3CCCCO3)cn2)c1 ZINC000763265543 1121310510 /nfs/dbraw/zinc/31/05/10/1121310510.db2.gz IZCKXOYCZYEGBF-SFHVURJKSA-N -1 3 357.410 4.016 20 0 FIADHM CCc1cccc(Oc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cn2)c1 ZINC000763265543 1121310513 /nfs/dbraw/zinc/31/05/13/1121310513.db2.gz IZCKXOYCZYEGBF-SFHVURJKSA-N -1 3 357.410 4.016 20 0 FIADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1NC(=O)c1ccco1 ZINC000057289347 1121363399 /nfs/dbraw/zinc/36/33/99/1121363399.db2.gz ZLNNYDLKOMQHLZ-UHFFFAOYSA-N -1 3 370.792 4.452 20 0 FIADHM CCCC[C@@H](CC)CSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000060823713 1121495040 /nfs/dbraw/zinc/49/50/40/1121495040.db2.gz PUUPRQZFWHQNLS-GFCCVEGCSA-N -1 3 363.483 4.134 20 0 FIADHM Cc1ccc(-c2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)s1 ZINC000065043772 1121651690 /nfs/dbraw/zinc/65/16/90/1121651690.db2.gz JATIUSUQBVPRBP-UHFFFAOYSA-N -1 3 367.455 4.274 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1 ZINC000124981687 1121736663 /nfs/dbraw/zinc/73/66/63/1121736663.db2.gz TVZXENUGKARQCC-UHFFFAOYSA-N -1 3 354.472 4.169 20 0 FIADHM Cc1ccc(CCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000064341972 1121757964 /nfs/dbraw/zinc/75/79/64/1121757964.db2.gz GMDYOIOTTZSDEU-UHFFFAOYSA-N -1 3 361.445 4.015 20 0 FIADHM O=C(c1ccccc1)c1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000125660774 1121803567 /nfs/dbraw/zinc/80/35/67/1121803567.db2.gz ROLZMAUYUOZBLL-UHFFFAOYSA-N -1 3 373.334 4.044 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCc4cc(Cl)ccc43)nc2)n1 ZINC000068691391 1121838805 /nfs/dbraw/zinc/83/88/05/1121838805.db2.gz UCQLJPWBHHEEDC-KRWDZBQOSA-N -1 3 366.852 4.147 20 0 FIADHM CCC(=CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccc(C)cc1 ZINC001127418754 1121844094 /nfs/dbraw/zinc/84/40/94/1121844094.db2.gz KXCKPCHVZFIETK-OWBHPGMISA-N -1 3 363.417 4.090 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)=Cc3ccc(Cl)cc3)nc21 ZINC001127419304 1121861197 /nfs/dbraw/zinc/86/11/97/1121861197.db2.gz OUTXDTHBOTWHHY-KHPPLWFESA-N -1 3 369.808 4.045 20 0 FIADHM CCOc1cc(CNc2ccc(OCCOC)cc2)cc(Cl)c1[O-] ZINC000916843412 1121885251 /nfs/dbraw/zinc/88/52/51/1121885251.db2.gz FVHDHTRJDWYWLR-UHFFFAOYSA-N -1 3 351.830 4.082 20 0 FIADHM CCOc1cc(CNc2cccc(N3CCOC3=O)c2)cc(Cl)c1[O-] ZINC000916845615 1121886274 /nfs/dbraw/zinc/88/62/74/1121886274.db2.gz XGRYBNUIIZDTEJ-UHFFFAOYSA-N -1 3 362.813 4.013 20 0 FIADHM CC[C@@H](C)[C@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC001127420367 1121887133 /nfs/dbraw/zinc/88/71/33/1121887133.db2.gz XTSCIAJYQMHFIP-DYVFJYSZSA-N -1 3 365.433 4.118 20 0 FIADHM C[C@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H]1C ZINC000072869590 1121907795 /nfs/dbraw/zinc/90/77/95/1121907795.db2.gz PYISNRZHAYYNCW-TXEJJXNPSA-N -1 3 357.454 4.291 20 0 FIADHM CC(C)=CCSc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000126215518 1121936284 /nfs/dbraw/zinc/93/62/84/1121936284.db2.gz JOXKXQZUOKXTDM-UHFFFAOYSA-N -1 3 365.462 4.177 20 0 FIADHM CC(C)=CCSc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000126215518 1121936291 /nfs/dbraw/zinc/93/62/91/1121936291.db2.gz JOXKXQZUOKXTDM-UHFFFAOYSA-N -1 3 365.462 4.177 20 0 FIADHM O=C(c1cc(F)cc(Nc2c(F)cc([O-])cc2F)c1)N1CCCCC1 ZINC001212217587 1121957020 /nfs/dbraw/zinc/95/70/20/1121957020.db2.gz AIHRBVRNSCZNJW-UHFFFAOYSA-N -1 3 350.340 4.179 20 0 FIADHM Cc1cc(C(F)(F)C(=O)[N-]Cc2cccc(C(F)F)c2)cnc1Cl ZINC001128008033 1121971526 /nfs/dbraw/zinc/97/15/26/1121971526.db2.gz PJFGENJVTCMDQU-UHFFFAOYSA-N -1 3 360.738 4.389 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c(C)c1C ZINC000126799138 1121997157 /nfs/dbraw/zinc/99/71/57/1121997157.db2.gz YEQYJNUCWBDKRS-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM Cc1ncsc1CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000066650399 1122081673 /nfs/dbraw/zinc/08/16/73/1122081673.db2.gz YCHGUMOHRURLHH-UHFFFAOYSA-N -1 3 352.459 4.020 20 0 FIADHM CCn1cc(Cl)c(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)n1 ZINC001128034198 1122120417 /nfs/dbraw/zinc/12/04/17/1122120417.db2.gz XNVOJGBMJKEISK-UHFFFAOYSA-N -1 3 373.825 4.073 20 0 FIADHM CCN(CC)c1nc2sc(C(=O)Nc3cccc([O-])c3F)cc2s1 ZINC000128191131 1122202716 /nfs/dbraw/zinc/20/27/16/1122202716.db2.gz PFRYQFDVPFUXTP-UHFFFAOYSA-N -1 3 365.455 4.301 20 0 FIADHM Cc1c([O-])ccc2c(CN(C)[C@H](C)c3cc(F)ccc3F)cc(=O)oc12 ZINC000917147884 1122205319 /nfs/dbraw/zinc/20/53/19/1122205319.db2.gz LJQQUIYJLKMUHY-GFCCVEGCSA-N -1 3 359.372 4.278 20 0 FIADHM Cc1ccc(-n2ncc(C(=O)Nc3cccc([O-])c3F)c2C(C)C)cc1 ZINC000128214128 1122206373 /nfs/dbraw/zinc/20/63/73/1122206373.db2.gz LVVUCADCKSUXNP-UHFFFAOYSA-N -1 3 353.397 4.401 20 0 FIADHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccc([O-])c1F ZINC000128253838 1122211306 /nfs/dbraw/zinc/21/13/06/1122211306.db2.gz SNAZDHLJKZSIGA-UHFFFAOYSA-N -1 3 350.415 4.138 20 0 FIADHM CCCCc1nc(NC(=O)c2cc3cccc(F)c3o2)c(C(=O)OCC)[n-]1 ZINC001128073951 1122215201 /nfs/dbraw/zinc/21/52/01/1122215201.db2.gz NQCPDIBEHJHAAW-UHFFFAOYSA-N -1 3 373.384 4.067 20 0 FIADHM Cc1cc(Br)ccc1SCC(=O)Nc1cccc([O-])c1F ZINC000128277700 1122221487 /nfs/dbraw/zinc/22/14/87/1122221487.db2.gz GDNKNLPKLKWYLW-UHFFFAOYSA-N -1 3 370.243 4.333 20 0 FIADHM CC[C@@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1ccc(OC)cc1 ZINC000917358452 1122272243 /nfs/dbraw/zinc/27/22/43/1122272243.db2.gz CHRUEIITYSQVHN-QGZVFWFLSA-N -1 3 373.836 4.402 20 0 FIADHM Cc1cccc(-c2nc(CC(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cs2)c1 ZINC000497572385 1122292541 /nfs/dbraw/zinc/29/25/41/1122292541.db2.gz ZORVJXOTRNWQOH-UHFFFAOYSA-N -1 3 374.469 4.112 20 0 FIADHM CCC[C@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000068225180 1122329367 /nfs/dbraw/zinc/32/93/67/1122329367.db2.gz HJQJQGMSYLLDOW-IBGZPJMESA-N -1 3 361.445 4.268 20 0 FIADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC000128695781 1122379614 /nfs/dbraw/zinc/37/96/14/1122379614.db2.gz HCUATDSULHCOTE-SNVBAGLBSA-N -1 3 352.203 4.426 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)n[n-]2)o1 ZINC000497737988 1122381550 /nfs/dbraw/zinc/38/15/50/1122381550.db2.gz ATRPJUDEUXGJAF-UHFFFAOYSA-N -1 3 358.401 4.144 20 0 FIADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)c2ccccc21 ZINC000497805008 1122419533 /nfs/dbraw/zinc/41/95/33/1122419533.db2.gz TYCNTFUFWKDXNX-GFCCVEGCSA-N -1 3 356.372 4.384 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000128823323 1122424094 /nfs/dbraw/zinc/42/40/94/1122424094.db2.gz SNCGAWIABNAOIG-NEPJUHHUSA-N -1 3 350.187 4.036 20 0 FIADHM C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC000129146052 1122545698 /nfs/dbraw/zinc/54/56/98/1122545698.db2.gz KLMYDHDJDADQBK-LLVKDONJSA-N -1 3 366.230 4.104 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2cccc(Cl)c2)CCOCC1 ZINC000129439174 1122601644 /nfs/dbraw/zinc/60/16/44/1122601644.db2.gz LQEOCKGOKJMCTK-UHFFFAOYSA-N -1 3 366.244 4.386 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000129676288 1122665328 /nfs/dbraw/zinc/66/53/28/1122665328.db2.gz XXOHXZBDSJQRRZ-UHFFFAOYSA-N -1 3 371.389 4.283 20 0 FIADHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000498297160 1122698981 /nfs/dbraw/zinc/69/89/81/1122698981.db2.gz FFVIKAHABYCKFX-OAHLLOKOSA-N -1 3 357.759 4.339 20 0 FIADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)cnc1N1CCCC[C@H]1C ZINC000498642631 1122928217 /nfs/dbraw/zinc/92/82/17/1122928217.db2.gz FRPNLRJHAFRUQY-CYBMUJFWSA-N -1 3 359.857 4.380 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4cccc(F)c4)n3)n[n-]2)o1 ZINC000919328995 1122952779 /nfs/dbraw/zinc/95/27/79/1122952779.db2.gz SAGKWWFFIAGPOA-UHFFFAOYSA-N -1 3 367.336 4.129 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4cccc(F)c4)n3)[n-]n2)o1 ZINC000919328995 1122952782 /nfs/dbraw/zinc/95/27/82/1122952782.db2.gz SAGKWWFFIAGPOA-UHFFFAOYSA-N -1 3 367.336 4.129 20 0 FIADHM CC[C@H](C)Sc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(C)c1 ZINC000130981182 1122960730 /nfs/dbraw/zinc/96/07/30/1122960730.db2.gz PFDIBIJTYYJLMW-ZDUSSCGKSA-N -1 3 373.522 4.157 20 0 FIADHM Cc1c([N-]C(=O)c2cc(-c3ccccn3)no2)onc1C1CCCCC1 ZINC000556803300 1123097957 /nfs/dbraw/zinc/09/79/57/1123097957.db2.gz DOHHTSNHGQCMAW-UHFFFAOYSA-N -1 3 352.394 4.333 20 0 FIADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1scnc1Cl ZINC000920081503 1123336000 /nfs/dbraw/zinc/33/60/00/1123336000.db2.gz YLUGHDLKJOZHAV-UHFFFAOYSA-N -1 3 366.851 4.440 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc(-c4ccccc4)cs3)n[n-]2)o1 ZINC000920120139 1123356619 /nfs/dbraw/zinc/35/66/19/1123356619.db2.gz HYFQWZDEVDXPNF-UHFFFAOYSA-N -1 3 365.414 4.459 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc(-c4ccccc4)cs3)[n-]n2)o1 ZINC000920120139 1123356630 /nfs/dbraw/zinc/35/66/30/1123356630.db2.gz HYFQWZDEVDXPNF-UHFFFAOYSA-N -1 3 365.414 4.459 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccccc1-c1ccno1 ZINC000499329430 1123431031 /nfs/dbraw/zinc/43/10/31/1123431031.db2.gz NMNIJHBOQFVWBM-UHFFFAOYSA-N -1 3 369.229 4.449 20 0 FIADHM CC/C=C(/C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000920343395 1123442153 /nfs/dbraw/zinc/44/21/53/1123442153.db2.gz WYJXJXCTACUNOV-APSNUPSMSA-N -1 3 372.490 4.399 20 0 FIADHM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000133443203 1123488581 /nfs/dbraw/zinc/48/85/81/1123488581.db2.gz PIEUSCYGFDBHKW-OAHLLOKOSA-N -1 3 369.490 4.035 20 0 FIADHM Cc1cc(-c2ccccc2)ccc1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000920934632 1123543179 /nfs/dbraw/zinc/54/31/79/1123543179.db2.gz ICULQYDNZZSCRR-UHFFFAOYSA-N -1 3 371.396 4.190 20 0 FIADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cc1 ZINC000921205791 1123589130 /nfs/dbraw/zinc/58/91/30/1123589130.db2.gz KAYFIPNYSJTFQB-UHFFFAOYSA-N -1 3 372.490 4.070 20 0 FIADHM O=C(CSc1nc2ccccc2o1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134189883 1123603064 /nfs/dbraw/zinc/60/30/64/1123603064.db2.gz JVWPFYZYLBEIRK-UHFFFAOYSA-N -1 3 368.336 4.283 20 0 FIADHM O=C(Cc1csc(-c2ccoc2)n1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134215182 1123607909 /nfs/dbraw/zinc/60/79/09/1123607909.db2.gz OAXHMTWTQBDAMT-UHFFFAOYSA-N -1 3 368.336 4.309 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c(C)c1 ZINC000134690428 1123661621 /nfs/dbraw/zinc/66/16/21/1123661621.db2.gz YIGTURUCKASJKS-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM CCOC(=O)c1ccc(OCc2nc(=O)c3c(CC)c(C)sc3[n-]2)cc1 ZINC000609393610 1123693427 /nfs/dbraw/zinc/69/34/27/1123693427.db2.gz XERDBYJJZRJDKX-UHFFFAOYSA-N -1 3 372.446 4.023 20 0 FIADHM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1cccc2ccccc21 ZINC000135515044 1123768880 /nfs/dbraw/zinc/76/88/80/1123768880.db2.gz JIRNNQMTTDJHNG-UHFFFAOYSA-N -1 3 373.384 4.455 20 0 FIADHM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000135576619 1123774568 /nfs/dbraw/zinc/77/45/68/1123774568.db2.gz DXKKPLPMPDXBKX-UHFFFAOYSA-N -1 3 373.396 4.435 20 0 FIADHM CC(C)(c1noc(-c2cc3c(cc2[O-])OCO3)n1)c1ccccc1Cl ZINC000445682235 1123799731 /nfs/dbraw/zinc/79/97/31/1123799731.db2.gz GSIDRFFOBNHRFN-UHFFFAOYSA-N -1 3 358.781 4.150 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3sccc3SC)s2)cc1 ZINC000136309574 1123877065 /nfs/dbraw/zinc/87/70/65/1123877065.db2.gz FQBMXXALISLEJK-UHFFFAOYSA-N -1 3 363.489 4.249 20 0 FIADHM O=c1nc(CSCC2CCOCC2)[n-]c2scc(-c3ccco3)c21 ZINC000609900107 1123883890 /nfs/dbraw/zinc/88/38/90/1123883890.db2.gz JWFJPBMNOARPKA-UHFFFAOYSA-N -1 3 362.476 4.317 20 0 FIADHM COc1cc(C(=O)N2CCC[C@H]2c2ccccc2Cl)cc(OC)c1[O-] ZINC000137085834 1123961243 /nfs/dbraw/zinc/96/12/43/1123961243.db2.gz XBSPQKFHKDKESE-HNNXBMFYSA-N -1 3 361.825 4.040 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000615840951 1124134696 /nfs/dbraw/zinc/13/46/96/1124134696.db2.gz GHJSWLNTGWJQHJ-NXEZZACHSA-N -1 3 366.177 4.462 20 0 FIADHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccs1 ZINC000616021511 1124202496 /nfs/dbraw/zinc/20/24/96/1124202496.db2.gz JHJBECADPAECSP-NSHDSACASA-N -1 3 363.426 4.231 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000616329313 1124288886 /nfs/dbraw/zinc/28/88/86/1124288886.db2.gz WBZUFCIXXHJPEG-UYAOXDASSA-N -1 3 366.461 4.149 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])C(F)(F)c1ccccc1F ZINC000765886469 1124319185 /nfs/dbraw/zinc/31/91/85/1124319185.db2.gz VMVXYMCHOXCKRO-UHFFFAOYSA-N -1 3 360.129 4.024 20 0 FIADHM O=C(CCCc1ccc(Cl)c(Cl)c1)NCc1ccc([O-])c(F)c1 ZINC000303753053 1124473519 /nfs/dbraw/zinc/47/35/19/1124473519.db2.gz CIMSGJKTBLEPAM-UHFFFAOYSA-N -1 3 356.224 4.477 20 0 FIADHM CC(C)c1cccc(-c2ccc(C([O-])=C(C#N)C(=O)Nc3ccccn3)o2)c1 ZINC000181102232 1124540629 /nfs/dbraw/zinc/54/06/29/1124540629.db2.gz YTIBDBNQZODUFP-QGZVFWFLSA-N -1 3 373.412 4.426 20 0 FIADHM CC[C@@H](c1ccc(Br)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405366718 1124541042 /nfs/dbraw/zinc/54/10/42/1124541042.db2.gz VKVXIXSQERQNCJ-GJZGRUSLSA-N -1 3 352.272 4.087 20 0 FIADHM CCCCCC(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000094987400 1124817364 /nfs/dbraw/zinc/81/73/64/1124817364.db2.gz OHJGDBZYYHEXNI-UHFFFAOYSA-N -1 3 353.315 4.273 20 0 FIADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2sccc2COC)cc1 ZINC000181416013 1124912302 /nfs/dbraw/zinc/91/23/02/1124912302.db2.gz LDQCXQTYGWCNET-KRWDZBQOSA-N -1 3 370.474 4.198 20 0 FIADHM O=C(CSc1nc2ccccc2[nH]1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476148190 1124948129 /nfs/dbraw/zinc/94/81/29/1124948129.db2.gz JIUXKCOKVGXPKU-UHFFFAOYSA-N -1 3 367.352 4.018 20 0 FIADHM C[C@@H]1CC(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)C1 ZINC001212449834 1125066777 /nfs/dbraw/zinc/06/67/77/1125066777.db2.gz CESXLHFTNFHMPV-QWRGUYRKSA-N -1 3 350.311 4.344 20 0 FIADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000056127863 1125139940 /nfs/dbraw/zinc/13/99/40/1125139940.db2.gz DPKQDHAZIGMUOI-CQSZACIVSA-N -1 3 361.360 4.106 20 0 FIADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)c1c[nH]c2ccccc12 ZINC000077251830 1125159073 /nfs/dbraw/zinc/15/90/73/1125159073.db2.gz GTURPBCXXLEQIH-UHFFFAOYSA-N -1 3 359.410 4.045 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cc4ccccc4o3)c2)n1 ZINC000618479357 1125188748 /nfs/dbraw/zinc/18/87/48/1125188748.db2.gz SOZKGXFIPRZBCI-UHFFFAOYSA-N -1 3 373.412 4.339 20 0 FIADHM Cc1ccc(C(=O)Nc2nnc(SCc3cccs3)s2)c([O-])c1 ZINC000253479930 1125245762 /nfs/dbraw/zinc/24/57/62/1125245762.db2.gz TXYGQEZZNPZZCQ-UHFFFAOYSA-N -1 3 363.489 4.158 20 0 FIADHM CC[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@H]1c1ccccc1 ZINC000253547787 1125251106 /nfs/dbraw/zinc/25/11/06/1125251106.db2.gz HXCAISQIJSKYNT-GOEBONIOSA-N -1 3 353.491 4.413 20 0 FIADHM O=C([O-])C[C@H](NCc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000499599880 1125266252 /nfs/dbraw/zinc/26/62/52/1125266252.db2.gz UECWNLBFZHACOI-HNNXBMFYSA-N -1 3 368.658 4.408 20 0 FIADHM [O-]c1c(F)cc(F)cc1Nc1cnc2c(Br)cccc2n1 ZINC001212484113 1125360513 /nfs/dbraw/zinc/36/05/13/1125360513.db2.gz KRWAOEYYLFDBDU-UHFFFAOYSA-N -1 3 352.138 4.120 20 0 FIADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2cccs2)c1Cl ZINC000008449143 204330617 /nfs/dbraw/zinc/33/06/17/204330617.db2.gz QBKVZGVYNARGBK-UHFFFAOYSA-N -1 3 350.292 4.150 20 0 FIADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl ZINC000040721440 205077722 /nfs/dbraw/zinc/07/77/22/205077722.db2.gz JFKOKZXGVDKOEF-QGZVFWFLSA-N -1 3 363.244 4.260 20 0 FIADHM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000006919664 206243681 /nfs/dbraw/zinc/24/36/81/206243681.db2.gz XEKBLCFKOFNLPY-UHFFFAOYSA-N -1 3 366.280 4.047 20 0 FIADHM C[C@H]1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)c2c([O-])cccc21 ZINC000186256474 567895194 /nfs/dbraw/zinc/89/51/94/567895194.db2.gz ZBTHAGIHRWCRNV-INIZCTEOSA-N -1 3 365.477 4.322 20 0 FIADHM O=C(Nc1cc(F)c(F)cc1F)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186649183 567962509 /nfs/dbraw/zinc/96/25/09/567962509.db2.gz QXBNDUUZBJZECI-UHFFFAOYSA-N -1 3 371.314 4.293 20 0 FIADHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(SC)ccc2[O-])s1 ZINC000669118202 568050348 /nfs/dbraw/zinc/05/03/48/568050348.db2.gz UTGFVZXGMTZHDU-NSHDSACASA-N -1 3 350.509 4.275 20 0 FIADHM CC(C)c1cc(C(=O)[N-]c2ncc(Cc3cc(F)cc(F)c3)s2)on1 ZINC000603651145 568130837 /nfs/dbraw/zinc/13/08/37/568130837.db2.gz LCNVITDLHGDZCL-UHFFFAOYSA-N -1 3 363.389 4.376 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)[n-]1 ZINC000617876633 568162482 /nfs/dbraw/zinc/16/24/82/568162482.db2.gz YHDSNWYWMMEAAG-UHFFFAOYSA-N -1 3 373.409 4.015 20 0 FIADHM CCOC(=O)c1nc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)c[n-]1 ZINC000617876633 568162483 /nfs/dbraw/zinc/16/24/83/568162483.db2.gz YHDSNWYWMMEAAG-UHFFFAOYSA-N -1 3 373.409 4.015 20 0 FIADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1ccc2ccccc2c1 ZINC000604112493 568214945 /nfs/dbraw/zinc/21/49/45/568214945.db2.gz IYXXTPIJBJTGQN-GFCCVEGCSA-N -1 3 354.431 4.284 20 0 FIADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1c(Cl)cccc1Cl ZINC000604149078 568217168 /nfs/dbraw/zinc/21/71/68/568217168.db2.gz VKEBTWDKDPBFHC-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2ccccc2CC1 ZINC000604790277 568367419 /nfs/dbraw/zinc/36/74/19/568367419.db2.gz LSEYSMNBKVDXCB-UHFFFAOYSA-N -1 3 357.453 4.224 20 0 FIADHM CC[C@@H](C)[C@H](C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1)c1ccccc1 ZINC000604901297 568384774 /nfs/dbraw/zinc/38/47/74/568384774.db2.gz WILIZSAELLULGF-VFNWGFHPSA-N -1 3 363.461 4.276 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2cnc3c(cnn3CC(C)C)c2)c1[O-] ZINC000604901732 568385021 /nfs/dbraw/zinc/38/50/21/568385021.db2.gz CZICLNBHNPDVBY-UHFFFAOYSA-N -1 3 358.829 4.007 20 0 FIADHM O=C(c1ccc([O-])cc1)C1CCN(CCOc2ccccc2Cl)CC1 ZINC000261369427 568454669 /nfs/dbraw/zinc/45/46/69/568454669.db2.gz RNPCNCKJEUBSCM-UHFFFAOYSA-N -1 3 359.853 4.019 20 0 FIADHM O=C(C[C@@H]1CCOc2ccccc21)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000605180105 568604981 /nfs/dbraw/zinc/60/49/81/568604981.db2.gz IVDZVFIBWCKNEH-ZDUSSCGKSA-N -1 3 367.836 4.047 20 0 FIADHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000053209643 1079549194 /nfs/dbraw/zinc/54/91/94/1079549194.db2.gz XMDYOEPTFTWDCS-UHFFFAOYSA-N -1 3 368.443 4.482 20 0 FIADHM CCCN(C[C@@H]1CCCCO1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000579720353 1079575882 /nfs/dbraw/zinc/57/58/82/1079575882.db2.gz OAJNBNOZQPPBJW-BBRMVZONSA-N -1 3 360.281 4.400 20 0 FIADHM CCc1cc2c(CSc3ncnc4sccc43)cc(=O)oc2cc1[O-] ZINC000049565248 1079614270 /nfs/dbraw/zinc/61/42/70/1079614270.db2.gz OEEUKHVJQVNOKK-UHFFFAOYSA-N -1 3 370.455 4.358 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000683172014 1079801733 /nfs/dbraw/zinc/80/17/33/1079801733.db2.gz TUXFTGXPOBQLKQ-INIZCTEOSA-N -1 3 371.330 4.159 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000683172740 1079808813 /nfs/dbraw/zinc/80/88/13/1079808813.db2.gz CROSMZRYJUCECC-AWEZNQCLSA-N -1 3 354.631 4.018 20 0 FIADHM CC[C@@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC ZINC000683173584 1079816863 /nfs/dbraw/zinc/81/68/63/1079816863.db2.gz MWCWGOZRXDIGQJ-IIBYNOLFSA-N -1 3 371.477 4.405 20 0 FIADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1cccc(C(=O)[O-])c1 ZINC000683176813 1079827336 /nfs/dbraw/zinc/82/73/36/1079827336.db2.gz SFLRTUMBIHREBM-UHFFFAOYSA-N -1 3 369.852 4.131 20 0 FIADHM CCCc1nnc([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)s1 ZINC000683187675 1079884430 /nfs/dbraw/zinc/88/44/30/1079884430.db2.gz QTGCAUQAFJAJOQ-UHFFFAOYSA-N -1 3 351.300 4.040 20 0 FIADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1 ZINC000029403621 1079889199 /nfs/dbraw/zinc/88/91/99/1079889199.db2.gz SLOREWDKYCBVOQ-UHFFFAOYSA-N -1 3 369.490 4.413 20 0 FIADHM O=S(=O)([N-]c1ccccc1C(F)(F)F)C1=Cc2ccccc2CC1 ZINC000120387085 1080024307 /nfs/dbraw/zinc/02/43/07/1080024307.db2.gz RXAWKXLAKCLAOI-UHFFFAOYSA-N -1 3 353.365 4.434 20 0 FIADHM CCCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000471171882 1080097281 /nfs/dbraw/zinc/09/72/81/1080097281.db2.gz CNPNJPZNQAYMBU-UHFFFAOYSA-N -1 3 372.490 4.315 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccccc3Cl)cc2)n1 ZINC000254999009 1080199874 /nfs/dbraw/zinc/19/98/74/1080199874.db2.gz WDPVLIAUIBQVJZ-FLIBITNWSA-N -1 3 365.820 4.463 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Br)c(F)cc1F ZINC000430260535 1080206675 /nfs/dbraw/zinc/20/66/75/1080206675.db2.gz SNUMYQXBGHSJOP-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM CCOc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)ccc1OC(F)F ZINC000326905953 1080302162 /nfs/dbraw/zinc/30/21/62/1080302162.db2.gz MQRGIXOJJLNVGG-LBPRGKRZSA-N -1 3 371.405 4.054 20 0 FIADHM COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c([O-])c1 ZINC000443561940 1080563891 /nfs/dbraw/zinc/56/38/91/1080563891.db2.gz BUBZUGUWSCPXMP-UHFFFAOYSA-N -1 3 361.397 4.193 20 0 FIADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000683321480 1080616868 /nfs/dbraw/zinc/61/68/68/1080616868.db2.gz BOBMOHQPDOLKMZ-UHFFFAOYSA-N -1 3 374.245 4.005 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H]3C[C@H](C)CC(C)(C)C3)nc21 ZINC001266467329 1080931631 /nfs/dbraw/zinc/93/16/31/1080931631.db2.gz NJWNXCMZDAZLOT-QWHCGFSZSA-N -1 3 357.454 4.141 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1 ZINC000109813764 1080932804 /nfs/dbraw/zinc/93/28/04/1080932804.db2.gz OEDQBENWUPRUTD-UHFFFAOYSA-N -1 3 353.462 4.255 20 0 FIADHM CC(C)(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1=CCOCC1 ZINC001648803617 1080962892 /nfs/dbraw/zinc/96/28/92/1080962892.db2.gz QQIBBQZXPWVQID-UHFFFAOYSA-N -1 3 365.473 4.086 20 0 FIADHM O=S(=O)(c1ccc(Nc2cccc(Cl)c2[O-])cc1)C(F)(F)F ZINC001210223490 1081200658 /nfs/dbraw/zinc/20/06/58/1081200658.db2.gz QPOLIAOMARWUCQ-UHFFFAOYSA-N -1 3 351.733 4.083 20 0 FIADHM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001626307130 1081225106 /nfs/dbraw/zinc/22/51/06/1081225106.db2.gz YWQFZMAEHFVEAC-DLBZAZTESA-N -1 3 353.443 4.292 20 0 FIADHM Cc1c2ccccc2nc(CN(C)CCCOc2ccccc2)c1C(=O)[O-] ZINC000579961416 1081268591 /nfs/dbraw/zinc/26/85/91/1081268591.db2.gz ICRZPOSJFYBASC-UHFFFAOYSA-N -1 3 364.445 4.142 20 0 FIADHM Cc1cccc2c(=O)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c[n-]c12 ZINC001648862741 1081325841 /nfs/dbraw/zinc/32/58/41/1081325841.db2.gz NZRCULODVQEMPE-UHFFFAOYSA-N -1 3 364.298 4.247 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)c([O-])c1 ZINC001648901666 1081359004 /nfs/dbraw/zinc/35/90/04/1081359004.db2.gz SDNFCAFHHWRPTO-KRWDZBQOSA-N -1 3 369.509 4.487 20 0 FIADHM CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000089215822 1081376850 /nfs/dbraw/zinc/37/68/50/1081376850.db2.gz LKYVTHIBWRJEMM-UHFFFAOYSA-N -1 3 363.461 4.090 20 0 FIADHM Cc1ncn(CCCCc2noc(-c3ccc(C(C)C)cc3[O-])n2)c1C ZINC000656038269 1081490909 /nfs/dbraw/zinc/49/09/09/1081490909.db2.gz VSHDMRKZSJOHNF-UHFFFAOYSA-N -1 3 354.454 4.402 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000471536730 1081576857 /nfs/dbraw/zinc/57/68/57/1081576857.db2.gz JVGRSXXGEUCGOT-NRFANRHFSA-N -1 3 373.412 4.122 20 0 FIADHM CCOC(=O)C(=Cc1ccc(C)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000255168510 1081587461 /nfs/dbraw/zinc/58/74/61/1081587461.db2.gz IHJHDHFRLHNUBC-GDNBJRDFSA-N -1 3 368.458 4.426 20 0 FIADHM CCc1c([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cnn1CC(C)C ZINC000160396590 1081717215 /nfs/dbraw/zinc/71/72/15/1081717215.db2.gz WYILUONMMAAMTJ-MDZDMXLPSA-N -1 3 367.902 4.168 20 0 FIADHM CC(C)(C)c1csc(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)n1 ZINC001125428723 1081758708 /nfs/dbraw/zinc/75/87/08/1081758708.db2.gz MPVZJWZYZJDDHI-UHFFFAOYSA-N -1 3 361.858 4.131 20 0 FIADHM O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000580253083 1081782762 /nfs/dbraw/zinc/78/27/62/1081782762.db2.gz SLIZGJPMSYVEMV-CVEARBPZSA-N -1 3 370.207 4.098 20 0 FIADHM CN1CCN(Cc2cccc(Nc3cc(Cl)c([O-])c(Cl)c3)c2)CC1 ZINC001210928854 1081863073 /nfs/dbraw/zinc/86/30/73/1081863073.db2.gz NRLYIMDNRBLFHM-UHFFFAOYSA-N -1 3 366.292 4.190 20 0 FIADHM [O-]c1cccc(CN2CCC(c3ccc4cccnc4n3)CC2)c1Cl ZINC000656271246 1082080385 /nfs/dbraw/zinc/08/03/85/1082080385.db2.gz QGHVEYDSMOESKS-UHFFFAOYSA-N -1 3 353.853 4.368 20 0 FIADHM CCOc1cc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc(Cl)c1[O-] ZINC000656278388 1082099014 /nfs/dbraw/zinc/09/90/14/1082099014.db2.gz QXMLDNZDEXLYNX-SMDDNHRTSA-N -1 3 367.795 4.034 20 0 FIADHM Cc1cc(Br)cc(C)c1CNCc1c(F)ccc([O-])c1F ZINC000510350160 1082142463 /nfs/dbraw/zinc/14/24/63/1082142463.db2.gz GGGPRQZPRWDAOH-UHFFFAOYSA-N -1 3 356.210 4.340 20 0 FIADHM O=C(Nc1ccccc1-c1ncco1)c1cc([O-])cc(Br)c1 ZINC001167439689 1082240372 /nfs/dbraw/zinc/24/03/72/1082240372.db2.gz DMCPAHNDFZDXFC-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM CCc1oc(C(=O)[O-])cc1CN1CCC(Cc2ccccc2OC)CC1 ZINC000581017312 1082279387 /nfs/dbraw/zinc/27/93/87/1082279387.db2.gz RHKNPWSBVKNGHS-UHFFFAOYSA-N -1 3 357.450 4.004 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cccc(Br)c1 ZINC000006316260 1082320136 /nfs/dbraw/zinc/32/01/36/1082320136.db2.gz GRDLKAIFZOPQCQ-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM CCOc1cc(CN2CCCC[C@H]2c2noc(CC)n2)cc(Cl)c1[O-] ZINC000656422722 1082369204 /nfs/dbraw/zinc/36/92/04/1082369204.db2.gz SZKKJXLHHJMZIO-AWEZNQCLSA-N -1 3 365.861 4.117 20 0 FIADHM CCCOc1c(Cl)cc(C(=O)Nc2cccc([O-])c2F)cc1OC ZINC000128473585 1082391223 /nfs/dbraw/zinc/39/12/23/1082391223.db2.gz KIVHPGLJONLYTG-UHFFFAOYSA-N -1 3 353.777 4.234 20 0 FIADHM [O-]c1cccc(CN2CCC3(CC2)OCc2ccccc23)c1Br ZINC000656445745 1082407370 /nfs/dbraw/zinc/40/73/70/1082407370.db2.gz QJWXLJVOQTXWGX-UHFFFAOYSA-N -1 3 374.278 4.176 20 0 FIADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000581261968 1082413507 /nfs/dbraw/zinc/41/35/07/1082413507.db2.gz LHTRDBNXOYZRNN-GOSISDBHSA-N -1 3 351.450 4.126 20 0 FIADHM Cc1sc2[n-]c(COC[C@@H]3CCCO3)nc(=O)c2c1-c1ccccc1 ZINC000656490191 1082475299 /nfs/dbraw/zinc/47/52/99/1082475299.db2.gz KKJHBDFKPIMQMK-AWEZNQCLSA-N -1 3 356.447 4.068 20 0 FIADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1csc(-c2ccc(F)cc2)n1 ZINC000656568645 1082589096 /nfs/dbraw/zinc/58/90/96/1082589096.db2.gz KJNCRGIOGDNJSO-CJNGLKHVSA-N -1 3 362.470 4.318 20 0 FIADHM C=Cn1cc(CN[C@H](c2cc(Cl)cc(Cl)c2)C(C)(C)C(=O)[O-])cn1 ZINC000656569637 1082595083 /nfs/dbraw/zinc/59/50/83/1082595083.db2.gz FETWFZJDFNRTBW-OAHLLOKOSA-N -1 3 368.264 4.232 20 0 FIADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(C3CCCC3)cc2)C1 ZINC000656756240 1082751402 /nfs/dbraw/zinc/75/14/02/1082751402.db2.gz CONAVVDOKLELPS-SJORKVTESA-N -1 3 355.400 4.429 20 0 FIADHM O=C([O-])c1ccc(-c2nc(CN3CC[C@H](C4CCCCC4)C3)co2)cc1 ZINC000656761884 1082753985 /nfs/dbraw/zinc/75/39/85/1082753985.db2.gz WHZVZOTXYLUZIH-SFHVURJKSA-N -1 3 354.450 4.442 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(Nc3ccccc3)n2)[C@H]2CCCC[C@@H]12 ZINC000656762474 1082755574 /nfs/dbraw/zinc/75/55/74/1082755574.db2.gz BCCDGKAWOSNOGU-KSZLIROESA-N -1 3 371.506 4.352 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc(Br)c2)[C@@H]2CCCC[C@@H]12 ZINC000656763716 1082756559 /nfs/dbraw/zinc/75/65/59/1082756559.db2.gz COHYFSSYCXSVKO-ARFHVFGLSA-N -1 3 370.262 4.054 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc(Br)c2)[C@H]2CCCC[C@H]12 ZINC000656763718 1082756711 /nfs/dbraw/zinc/75/67/11/1082756711.db2.gz COHYFSSYCXSVKO-OAGGEKHMSA-N -1 3 370.262 4.054 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656770223 1082762163 /nfs/dbraw/zinc/76/21/63/1082762163.db2.gz XYDGAEFVUIWNPF-ZLIFDBKOSA-N -1 3 372.292 4.400 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000048478273 1082783188 /nfs/dbraw/zinc/78/31/88/1082783188.db2.gz JUQQZEPYUYKXLU-QGZVFWFLSA-N -1 3 366.461 4.007 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H]3CCC[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000328811757 1082837933 /nfs/dbraw/zinc/83/79/33/1082837933.db2.gz ORDSMLNUJKHSLY-CXAGYDPISA-N -1 3 354.454 4.200 20 0 FIADHM CC[C@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1ccc(F)cc1F ZINC000161022716 1082888097 /nfs/dbraw/zinc/88/80/97/1082888097.db2.gz JDXCIFMXBDRPOS-KRWDZBQOSA-N -1 3 359.372 4.326 20 0 FIADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(Oc2ccccc2)cc1 ZINC000471816132 1083037857 /nfs/dbraw/zinc/03/78/57/1083037857.db2.gz MDTZMBHWULKGDO-HNNXBMFYSA-N -1 3 363.417 4.140 20 0 FIADHM CCC1(C)CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000510598623 1083189448 /nfs/dbraw/zinc/18/94/48/1083189448.db2.gz HJHROUBVOYZZCX-UHFFFAOYSA-N -1 3 354.454 4.202 20 0 FIADHM CCn1nc(C)c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1C ZINC000091684480 1083272268 /nfs/dbraw/zinc/27/22/68/1083272268.db2.gz YALFXVIBMNTPTM-UHFFFAOYSA-N -1 3 365.433 4.057 20 0 FIADHM Cc1cc2cccnc2c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000091793424 1083346479 /nfs/dbraw/zinc/34/64/79/1083346479.db2.gz VVGXZVCQGQWLJZ-UHFFFAOYSA-N -1 3 361.376 4.085 20 0 FIADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3c(C)cccc3F)c2)n1 ZINC000410337755 1083349848 /nfs/dbraw/zinc/34/98/48/1083349848.db2.gz POMVKIFBKXBYMU-UHFFFAOYSA-N -1 3 362.451 4.367 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(Br)cc1 ZINC000016123484 1083358274 /nfs/dbraw/zinc/35/82/74/1083358274.db2.gz IPLWQZZGFPOOLN-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM O=C([O-])CC1(CNCc2csc(COc3ccccc3)n2)CCCCC1 ZINC000276955418 1083453843 /nfs/dbraw/zinc/45/38/43/1083453843.db2.gz FDNGBVDBKXUYSZ-UHFFFAOYSA-N -1 3 374.506 4.237 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccoc1C(F)(F)F ZINC000685773656 1083786849 /nfs/dbraw/zinc/78/68/49/1083786849.db2.gz SVKHSNCGVSDUOJ-UHFFFAOYSA-N -1 3 350.090 4.019 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCC[C@H](C)C(=O)[O-] ZINC000277175160 1083945231 /nfs/dbraw/zinc/94/52/31/1083945231.db2.gz DXEYHPXFPTZPSO-NSHDSACASA-N -1 3 370.280 4.078 20 0 FIADHM CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000053111331 1083950369 /nfs/dbraw/zinc/95/03/69/1083950369.db2.gz CRKICUAZXUCTPG-UHFFFAOYSA-N -1 3 363.335 4.149 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCc2sc(Br)cc2C1 ZINC000685791150 1083964723 /nfs/dbraw/zinc/96/47/23/1083964723.db2.gz UJEUALLZYJPZAZ-UHFFFAOYSA-N -1 3 372.671 4.068 20 0 FIADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000235822100 1084048286 /nfs/dbraw/zinc/04/82/86/1084048286.db2.gz SVCVVMFTORTCFQ-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM CC(C)[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000472035027 1084127422 /nfs/dbraw/zinc/12/74/22/1084127422.db2.gz LSQYXSHZJOWETP-MRXNPFEDSA-N -1 3 367.371 4.003 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000612859062 1084142128 /nfs/dbraw/zinc/14/21/28/1084142128.db2.gz LTDNQRZRTCMOPE-UHFFFAOYSA-N -1 3 369.442 4.075 20 0 FIADHM CCn1cc([C@@H](C)[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)cn1 ZINC000843601387 1084203147 /nfs/dbraw/zinc/20/31/47/1084203147.db2.gz HWKHSEOWOHPBBA-SECBINFHSA-N -1 3 362.207 4.179 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000548611665 1084295441 /nfs/dbraw/zinc/29/54/41/1084295441.db2.gz WPEOKMUURAIUPJ-UHFFFAOYSA-N -1 3 362.838 4.006 20 0 FIADHM O=S(=O)([N-]CC1(c2ccc(Cl)cc2)CC1)c1ccc(Cl)s1 ZINC000011901678 1084358813 /nfs/dbraw/zinc/35/88/13/1084358813.db2.gz DHCCTPKKOXXNOR-UHFFFAOYSA-N -1 3 362.303 4.065 20 0 FIADHM Cc1nc(Cl)sc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000177861155 1084392710 /nfs/dbraw/zinc/39/27/10/1084392710.db2.gz JVJNJTUCGDUJOK-UHFFFAOYSA-N -1 3 364.883 4.493 20 0 FIADHM Cc1cc(C)n(-c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2F)n1 ZINC000431761337 1084440041 /nfs/dbraw/zinc/44/00/41/1084440041.db2.gz NODSFJMZRQFPNI-UHFFFAOYSA-N -1 3 359.788 4.240 20 0 FIADHM COc1cnc([C@H]2CCCN2Cc2ccc(-c3ccsc3)cc2)[n-]c1=O ZINC000934273254 1084584555 /nfs/dbraw/zinc/58/45/55/1084584555.db2.gz MZHXCWDGSZLYNG-QGZVFWFLSA-N -1 3 367.474 4.256 20 0 FIADHM CC(C)Oc1c(F)cc([N-]C(=O)c2ncoc2C(F)(F)F)cc1F ZINC000613437080 1084737978 /nfs/dbraw/zinc/73/79/78/1084737978.db2.gz RWGJUYXFRGBRIX-UHFFFAOYSA-N -1 3 350.243 4.011 20 0 FIADHM COC(=O)c1scc(-c2ccc(C)cc2)c1[N-]C(=O)c1coc(C)n1 ZINC000589041266 1084826741 /nfs/dbraw/zinc/82/67/41/1084826741.db2.gz WRABXMNJXFFJHQ-UHFFFAOYSA-N -1 3 356.403 4.059 20 0 FIADHM COc1ccccc1CSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000127609453 1084969751 /nfs/dbraw/zinc/96/97/51/1084969751.db2.gz BONIXZRQUHTBKN-UHFFFAOYSA-N -1 3 352.415 4.111 20 0 FIADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1csc(C2CC2)n1 ZINC000134265683 1085051703 /nfs/dbraw/zinc/05/17/03/1085051703.db2.gz JTKOTFFEKBCVBO-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM CC[C@@H](c1nnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)o1)c1ccccc1 ZINC000159156274 1085098235 /nfs/dbraw/zinc/09/82/35/1085098235.db2.gz XLXDALMQZBQZOU-GXTWGEPZSA-N -1 3 356.451 4.269 20 0 FIADHM Cc1ccc(Nc2nc(CNC(C)(C)c3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000660744627 1085244482 /nfs/dbraw/zinc/24/44/82/1085244482.db2.gz DCPFCWYHDGIVNG-UHFFFAOYSA-N -1 3 369.494 4.024 20 0 FIADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cscc1Cl ZINC001126004571 1085305305 /nfs/dbraw/zinc/30/53/05/1085305305.db2.gz WIKIXVPLIGKUQV-UHFFFAOYSA-N -1 3 353.831 4.235 20 0 FIADHM C[C@H](CN(C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1nccs1 ZINC000582670929 1085355169 /nfs/dbraw/zinc/35/51/69/1085355169.db2.gz BXSALTDHHLRQBC-NOZJJQNGSA-N -1 3 359.278 4.311 20 0 FIADHM C[C@H](CN(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1nccs1 ZINC000582670930 1085355259 /nfs/dbraw/zinc/35/52/59/1085355259.db2.gz BXSALTDHHLRQBC-RNCFNFMXSA-N -1 3 359.278 4.311 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccccc4C)C[C@@H]3C)nc2)n1 ZINC000077984025 1085630469 /nfs/dbraw/zinc/63/04/69/1085630469.db2.gz XWKPPNHJHIFOFD-FUHWJXTLSA-N -1 3 374.488 4.085 20 0 FIADHM Cc1ccccc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000511194764 1085653509 /nfs/dbraw/zinc/65/35/09/1085653509.db2.gz ZRQMTJKLLSFEIW-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM COc1ccc(-c2csc3[n-]c(-c4ccc(C)o4)nc(=O)c23)cc1OC ZINC000047681858 1085721087 /nfs/dbraw/zinc/72/10/87/1085721087.db2.gz UNDAHKIIOJZUIA-UHFFFAOYSA-N -1 3 368.414 4.237 20 0 FIADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000566368645 1085794500 /nfs/dbraw/zinc/79/45/00/1085794500.db2.gz YOHMTARVDPQRGY-OAHLLOKOSA-N -1 3 360.679 4.035 20 0 FIADHM O=C([O-])CC[C@H](CNCc1ccccc1OC1CCCC1)C(F)(F)F ZINC000663262172 1086341529 /nfs/dbraw/zinc/34/15/29/1086341529.db2.gz QKZXCVQHOSRFTR-CQSZACIVSA-N -1 3 359.388 4.141 20 0 FIADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000663262918 1086345470 /nfs/dbraw/zinc/34/54/70/1086345470.db2.gz VFWMVLWFFRCHOK-MRXNPFEDSA-N -1 3 353.340 4.020 20 0 FIADHM Cc1coc(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000188436037 1086351576 /nfs/dbraw/zinc/35/15/76/1086351576.db2.gz OQDWTWMPIHLCEC-SECBINFHSA-N -1 3 359.432 4.394 20 0 FIADHM Cc1ccc(-c2nc(C(C)(C)NC(=O)c3cccc(Cl)c3)no2)c([O-])c1 ZINC000184873024 1086361025 /nfs/dbraw/zinc/36/10/25/1086361025.db2.gz FAZIWKWCTXNVJJ-UHFFFAOYSA-N -1 3 371.824 4.069 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3cccnc3Oc3ccccc3)no2)c1 ZINC000184852145 1086364035 /nfs/dbraw/zinc/36/40/35/1086364035.db2.gz FGESQCWBQHREIT-UHFFFAOYSA-N -1 3 361.357 4.305 20 0 FIADHM Nc1c(Cl)c(Cl)nc(C(=O)[N-]N=C/C=C\c2ccccc2)c1Cl ZINC000254866976 1086375150 /nfs/dbraw/zinc/37/51/50/1086375150.db2.gz ZIFOMIOMBSDHFT-MNVVZJLUSA-N -1 3 369.639 4.053 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ncc(-c2ccccc2)o1 ZINC000150819959 1086378493 /nfs/dbraw/zinc/37/84/93/1086378493.db2.gz BTRVSKZXXUJKHA-CYBMUJFWSA-N -1 3 368.414 4.127 20 0 FIADHM CC(C)[C@@H](O)[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000657748953 1086538588 /nfs/dbraw/zinc/53/85/88/1086538588.db2.gz XNLCUFONVIZFDV-QZTJIDSGSA-N -1 3 364.283 4.003 20 0 FIADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1occ2c1CCOC2 ZINC000375738099 1086559883 /nfs/dbraw/zinc/55/98/83/1086559883.db2.gz JZQIFKFKEPUHID-UHFFFAOYSA-N -1 3 357.353 4.101 20 0 FIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2ccc(Cl)cc2)c1 ZINC000432409820 1086731258 /nfs/dbraw/zinc/73/12/58/1086731258.db2.gz JIFNNGCMUXDAMK-UHFFFAOYSA-N -1 3 372.759 4.458 20 0 FIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2ccc(Cl)cc2)c1 ZINC000432409820 1086731263 /nfs/dbraw/zinc/73/12/63/1086731263.db2.gz JIFNNGCMUXDAMK-UHFFFAOYSA-N -1 3 372.759 4.458 20 0 FIADHM Cc1ccc(NC(=S)N[N-]C(=O)c2cccc(Cl)c2Cl)c(C)c1 ZINC000006572784 1086846056 /nfs/dbraw/zinc/84/60/56/1086846056.db2.gz WMJNSPVNYJCMMH-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM COc1ccc(-c2nc3ccc(Cl)cc3n2C)c(Br)c1[O-] ZINC000432500750 1086871244 /nfs/dbraw/zinc/87/12/44/1086871244.db2.gz AUWBFNGWTWTKGR-UHFFFAOYSA-N -1 3 367.630 4.370 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@@H](c2c(Cl)cccc2Cl)C2CC2)n1 ZINC000583721636 1086933608 /nfs/dbraw/zinc/93/36/08/1086933608.db2.gz HVAOXWGZPCNLBE-QGZVFWFLSA-N -1 3 352.265 4.292 20 0 FIADHM COc1ccccc1[C@@H]([N-]c1noc(-c2ccccc2)n1)c1ccccn1 ZINC000158261954 1087060250 /nfs/dbraw/zinc/06/02/50/1087060250.db2.gz NKTDETZMFSUIND-LJQANCHMSA-N -1 3 358.401 4.342 20 0 FIADHM CC[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nccs1 ZINC000151489534 1087115425 /nfs/dbraw/zinc/11/54/25/1087115425.db2.gz KQWCVDVGPBBBNP-ZDUSSCGKSA-N -1 3 365.307 4.054 20 0 FIADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000650794049 1087167775 /nfs/dbraw/zinc/16/77/75/1087167775.db2.gz RAOZJNVIHGRJCV-IAQYHMDHSA-N -1 3 364.239 4.147 20 0 FIADHM CCOc1ccc(-c2nc(CN3[C@H](C)[C@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000584125053 1087180893 /nfs/dbraw/zinc/18/08/93/1087180893.db2.gz AKHKBRWEQKTCOV-PMUMKWKESA-N -1 3 374.506 4.282 20 0 FIADHM CCc1ccc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2c1 ZINC000080850699 1087286100 /nfs/dbraw/zinc/28/61/00/1087286100.db2.gz PPJVFFHHPQKCOF-UHFFFAOYSA-N -1 3 350.403 4.161 20 0 FIADHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000685677161 1087679483 /nfs/dbraw/zinc/67/94/83/1087679483.db2.gz YOHBIZWEAXYRKI-HNAYVOBHSA-N -1 3 359.853 4.286 20 0 FIADHM CCOc1cccc(S(=O)(=O)[N-]c2c(F)cccc2SCC)c1 ZINC000685916361 1087916824 /nfs/dbraw/zinc/91/68/24/1087916824.db2.gz SVUGTXMBJMWJND-UHFFFAOYSA-N -1 3 355.456 4.137 20 0 FIADHM COc1ccc(CN(C(=O)c2ccc(C)cc2[O-])[C@@H](C)C2CC2)c(OC)c1 ZINC000549075913 1087983822 /nfs/dbraw/zinc/98/38/22/1087983822.db2.gz LAAPNKHBRGXRAB-HNNXBMFYSA-N -1 3 369.461 4.159 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c(CN(C)C)c1 ZINC000176581008 1088004799 /nfs/dbraw/zinc/00/47/99/1088004799.db2.gz XFOPBDFFVWABDX-UHFFFAOYSA-N -1 3 354.475 4.011 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1SC ZINC000414385673 1088086336 /nfs/dbraw/zinc/08/63/36/1088086336.db2.gz FSMJSSRXRHOQIQ-UHFFFAOYSA-N -1 3 367.492 4.005 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COC[C@@H]4CCOC4)nc(=O)c23)c(C)c1 ZINC000647602329 1088248260 /nfs/dbraw/zinc/24/82/60/1088248260.db2.gz AWRLLFRRBKEIMK-CQSZACIVSA-N -1 3 370.474 4.234 20 0 FIADHM CCCc1ncc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)s1 ZINC000607810082 1088490705 /nfs/dbraw/zinc/49/07/05/1088490705.db2.gz FVDPWZVEFHNFAD-UHFFFAOYSA-N -1 3 358.492 4.483 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(F)cc1F ZINC001211644436 1088534967 /nfs/dbraw/zinc/53/49/67/1088534967.db2.gz XJDURPLWJKFILA-MQMHXKEQSA-N -1 3 371.836 4.151 20 0 FIADHM Cn1ccc2cc(-c3noc(C=C([O-])c4ccccc4Cl)n3)ccc21 ZINC001211644916 1088586211 /nfs/dbraw/zinc/58/62/11/1088586211.db2.gz JGYDYQTVZSGTSQ-UHFFFAOYSA-N -1 3 351.793 4.307 20 0 FIADHM Cc1cc([C@@H](C)N2CCC3(CCc4ccccc4O3)CC2)oc1C(=O)[O-] ZINC000659801959 1088886089 /nfs/dbraw/zinc/88/60/89/1088886089.db2.gz NOBNZYDNAUWVHY-OAHLLOKOSA-N -1 3 355.434 4.207 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCC[C@@H]1CC1CCC1 ZINC000659804362 1088893585 /nfs/dbraw/zinc/89/35/85/1088893585.db2.gz XMVXBHWJWUKZAC-QGZVFWFLSA-N -1 3 355.482 4.299 20 0 FIADHM Cc1ccccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182874468 1088952216 /nfs/dbraw/zinc/95/22/16/1088952216.db2.gz ZTTCJKMUQCZIFB-NRFANRHFSA-N -1 3 374.440 4.201 20 0 FIADHM O=C([O-])Cc1ccccc1CNCc1cccc(OCc2ccccc2)c1 ZINC000313737430 1089131402 /nfs/dbraw/zinc/13/14/02/1089131402.db2.gz ZMZHOZATFYWXBO-UHFFFAOYSA-N -1 3 361.441 4.183 20 0 FIADHM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000549239828 1089336987 /nfs/dbraw/zinc/33/69/87/1089336987.db2.gz GSWJLZZETAWYAO-OAHLLOKOSA-N -1 3 361.445 4.080 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc(C)c1F ZINC000460437991 1089391931 /nfs/dbraw/zinc/39/19/31/1089391931.db2.gz QJDYNVCBUYPTSL-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC(F)F)c(F)c2)CC)n1 ZINC000435335364 1089539714 /nfs/dbraw/zinc/53/97/14/1089539714.db2.gz HPVXHRZAHNCTMZ-XYOKQWHBSA-N -1 3 352.356 4.414 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(OC(F)F)c2)CC)n1 ZINC000435339191 1089545589 /nfs/dbraw/zinc/54/55/89/1089545589.db2.gz PYCSJYUOVDPQGP-UKTHLTGXSA-N -1 3 364.392 4.283 20 0 FIADHM O=C(N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000514952114 1089664108 /nfs/dbraw/zinc/66/41/08/1089664108.db2.gz ORWHFVUNIGZQGL-GDBMZVCRSA-N -1 3 371.868 4.169 20 0 FIADHM O=C(N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000514952123 1089664743 /nfs/dbraw/zinc/66/47/43/1089664743.db2.gz ORWHFVUNIGZQGL-ZBFHGGJFSA-N -1 3 371.868 4.169 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000511590518 1090579341 /nfs/dbraw/zinc/57/93/41/1090579341.db2.gz CDZNWBGHIRKNGZ-BDJLRTHQSA-N -1 3 367.371 4.191 20 0 FIADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000584637917 1090661057 /nfs/dbraw/zinc/66/10/57/1090661057.db2.gz FZXUQNATPYZUJH-ACJLOTCBSA-N -1 3 365.807 4.309 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(C)c(Br)c3)no2)c1 ZINC000318997568 1090869032 /nfs/dbraw/zinc/86/90/32/1090869032.db2.gz UTWPVJFJSKQUQG-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(C)cc3Br)no2)c1[O-] ZINC000319009842 1090894821 /nfs/dbraw/zinc/89/48/21/1090894821.db2.gz ZLLUXBPFGZSXCU-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM O=C([O-])[C@@H](CC(F)(F)F)NCc1cccc(OCC2CCCCC2)c1 ZINC000417584344 1090932214 /nfs/dbraw/zinc/93/22/14/1090932214.db2.gz MRFMKOKDPNUBFA-MRXNPFEDSA-N -1 3 359.388 4.141 20 0 FIADHM C[C@H](CCC(=O)[O-])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000417612069 1090942791 /nfs/dbraw/zinc/94/27/91/1090942791.db2.gz PAPGURKKLGMSAK-SNVBAGLBSA-N -1 3 358.385 4.172 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000092603926 1091026999 /nfs/dbraw/zinc/02/69/99/1091026999.db2.gz QRJXEHBRYYKADV-VQIMIIECSA-N -1 3 357.450 4.056 20 0 FIADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000192693514 1091187187 /nfs/dbraw/zinc/18/71/87/1091187187.db2.gz QOLKDDMUTFHCDD-LLVKDONJSA-N -1 3 374.309 4.258 20 0 FIADHM COc1cccc(C(=O)[N-]c2ccccc2SC(F)(F)F)c1[N+](=O)[O-] ZINC000194026485 1091343390 /nfs/dbraw/zinc/34/33/90/1091343390.db2.gz MAJHPVALNADMKR-UHFFFAOYSA-N -1 3 372.324 4.468 20 0 FIADHM Cc1cccc(CN(Cc2ccco2)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000606714600 1091955732 /nfs/dbraw/zinc/95/57/32/1091955732.db2.gz LUCQUXFZNWPFCI-UHFFFAOYSA-N -1 3 368.408 4.345 20 0 FIADHM O=c1ccnc(C(=Cc2nc(-c3ccccc3)c[nH]2)Cc2ccccc2)[n-]1 ZINC000432709348 1092168664 /nfs/dbraw/zinc/16/86/64/1092168664.db2.gz KDMJGYPZVFDWBD-JXAWBTAJSA-N -1 3 354.413 4.356 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1Cl ZINC000432759403 1092278673 /nfs/dbraw/zinc/27/86/73/1092278673.db2.gz RTUNDLLEOJATBC-UHFFFAOYSA-N -1 3 353.871 4.383 20 0 FIADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000521025700 1092432826 /nfs/dbraw/zinc/43/28/26/1092432826.db2.gz WRMPEWPAKUPKIE-UHFFFAOYSA-N -1 3 372.412 4.189 20 0 FIADHM O=C(Nc1nnc(-c2ccsc2)s1)c1cc([O-])c2ccccc2c1 ZINC000438921607 1092446070 /nfs/dbraw/zinc/44/60/70/1092446070.db2.gz VZCVUHXWHCJXNZ-UHFFFAOYSA-N -1 3 353.428 4.378 20 0 FIADHM CN(Cc1c(F)ccc([O-])c1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000512479759 1092522413 /nfs/dbraw/zinc/52/24/13/1092522413.db2.gz ITDHIPQMTWRZTB-KBXCAEBGSA-N -1 3 351.368 4.162 20 0 FIADHM CC(C)(NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1F ZINC000474036244 1092706277 /nfs/dbraw/zinc/70/62/77/1092706277.db2.gz PWMCTDGGIPIYGP-UHFFFAOYSA-N -1 3 354.784 4.058 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000041007240 1092715320 /nfs/dbraw/zinc/71/53/20/1092715320.db2.gz HTBWCPZZKCSMEJ-UHFFFAOYSA-N -1 3 366.240 4.423 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cc(Cl)ccc1Cl ZINC000521668806 1092855283 /nfs/dbraw/zinc/85/52/83/1092855283.db2.gz YDKVPIOQVFUCQJ-AWEZNQCLSA-N -1 3 360.237 4.098 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1csc(C2CC2)n1 ZINC000110380311 1092870340 /nfs/dbraw/zinc/87/03/40/1092870340.db2.gz KQSAHAVINYWVEW-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM O=S(=O)([N-]Cc1cccc(Cl)c1Cl)c1ccc(Cl)s1 ZINC000521772173 1092909004 /nfs/dbraw/zinc/90/90/04/1092909004.db2.gz FQYLSPWJHSDQSY-UHFFFAOYSA-N -1 3 356.683 4.187 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)sc1Cl ZINC001211736785 1092932388 /nfs/dbraw/zinc/93/23/88/1092932388.db2.gz HLHAHUUEGFFLJU-GXTWGEPZSA-N -1 3 373.902 4.464 20 0 FIADHM O=C(Nc1ccccc1)Nc1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1 ZINC000614117135 1092945231 /nfs/dbraw/zinc/94/52/31/1092945231.db2.gz QQSAHPDXEXUDLJ-UHFFFAOYSA-N -1 3 374.375 4.373 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@](C)(c4ccc(C)cc4)C3)nc2)n1 ZINC000432939098 1092973653 /nfs/dbraw/zinc/97/36/53/1092973653.db2.gz PWZBRPSBZATMMU-HSZRJFAPSA-N -1 3 374.488 4.283 20 0 FIADHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000508807014 1093012838 /nfs/dbraw/zinc/01/28/38/1093012838.db2.gz SJGCRMIJHAUROP-UHFFFAOYSA-N -1 3 368.245 4.413 20 0 FIADHM CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000443407560 1093097397 /nfs/dbraw/zinc/09/73/97/1093097397.db2.gz DWCZRPRQWXMCSV-UHFFFAOYSA-N -1 3 364.225 4.332 20 0 FIADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000512702211 1093165276 /nfs/dbraw/zinc/16/52/76/1093165276.db2.gz CEQXGPWEEBADAV-JTQLQIEISA-N -1 3 362.253 4.042 20 0 FIADHM [O-]c1cccc(CNCc2cccc(COC3CCOCC3)c2)c1Cl ZINC000645155252 1093301635 /nfs/dbraw/zinc/30/16/35/1093301635.db2.gz SLTPTIUKFZNALL-UHFFFAOYSA-N -1 3 361.869 4.031 20 0 FIADHM O=S(=O)([N-]C(C1CCC1)C1CCC1)c1csnc1-c1ccccc1 ZINC001211785089 1093317245 /nfs/dbraw/zinc/31/72/45/1093317245.db2.gz RYYUBPJPGJWQJK-UHFFFAOYSA-N -1 3 362.520 4.057 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000029046165 1093447315 /nfs/dbraw/zinc/44/73/15/1093447315.db2.gz ZICMKAFETBPHHZ-UHFFFAOYSA-N -1 3 370.268 4.039 20 0 FIADHM O=C(NCC1(Cc2ccccc2)CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000474172311 1093536521 /nfs/dbraw/zinc/53/65/21/1093536521.db2.gz FVGZWECIJNRUQL-UHFFFAOYSA-N -1 3 374.484 4.451 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(CC(C)C)CC(C)C)cc2)cc(=O)[n-]1 ZINC000509849146 1093540535 /nfs/dbraw/zinc/54/05/35/1093540535.db2.gz CYZPPLGRTZIZJC-UHFFFAOYSA-N -1 3 356.470 4.304 20 0 FIADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1cc(F)cc2n[n-]nc21 ZINC000433303324 1093558385 /nfs/dbraw/zinc/55/83/85/1093558385.db2.gz KQQTURVXXCJTAO-UHFFFAOYSA-N -1 3 368.412 4.199 20 0 FIADHM O=C(Nc1ncc(C2CCOCC2)s1)c1cc([O-])c2ccccc2c1 ZINC000296180707 1093604524 /nfs/dbraw/zinc/60/45/24/1093604524.db2.gz SFWRAXNXMJQBKO-UHFFFAOYSA-N -1 3 354.431 4.148 20 0 FIADHM Cc1ccc(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000509859618 1093614611 /nfs/dbraw/zinc/61/46/11/1093614611.db2.gz HXOJHWWCBMHEMI-UHFFFAOYSA-N -1 3 362.433 4.130 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(CC(C)C)cc3)cc2)n1 ZINC000128992353 1093759540 /nfs/dbraw/zinc/75/95/40/1093759540.db2.gz OXNWTDNXPWHCKF-UHFFFAOYSA-N -1 3 361.445 4.196 20 0 FIADHM O=S(=O)([N-][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1ccco1 ZINC001211829810 1093878062 /nfs/dbraw/zinc/87/80/62/1093878062.db2.gz SQOXOPKOIOPQDG-CVEARBPZSA-N -1 3 353.871 4.328 20 0 FIADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001211828890 1093878085 /nfs/dbraw/zinc/87/80/85/1093878085.db2.gz GRUFNWAZJSXDOQ-HZPDHXFCSA-N -1 3 368.886 4.031 20 0 FIADHM Cc1ccc([C@@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)c(C)c1 ZINC000473516674 1093907561 /nfs/dbraw/zinc/90/75/61/1093907561.db2.gz DFTIDNASOWYWBZ-GOSISDBHSA-N -1 3 355.453 4.487 20 0 FIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cnn(-c2ccccc2)n1 ZINC000729408772 1093983037 /nfs/dbraw/zinc/98/30/37/1093983037.db2.gz AZIPZITWIQEPSY-UHFFFAOYSA-N -1 3 358.854 4.285 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000261396203 1093987160 /nfs/dbraw/zinc/98/71/60/1093987160.db2.gz AUUYMOWJKJPINQ-NEPJUHHUSA-N -1 3 368.177 4.175 20 0 FIADHM CCCC[C@@H](CC)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509911577 1094023799 /nfs/dbraw/zinc/02/37/99/1094023799.db2.gz NAIAGRGTMOSNGA-OAHLLOKOSA-N -1 3 356.470 4.496 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c3ncccc23)c([O-])c1 ZINC000513605532 1094226065 /nfs/dbraw/zinc/22/60/65/1094226065.db2.gz UKWSLQZPYWUQTH-UHFFFAOYSA-N -1 3 370.792 4.023 20 0 FIADHM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000501135011 1094523743 /nfs/dbraw/zinc/52/37/43/1094523743.db2.gz NOFGRVYDCSWNMG-GJZGRUSLSA-N -1 3 360.458 4.159 20 0 FIADHM CC(C)c1ccccc1NC(=O)[C@@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419609770 1094536000 /nfs/dbraw/zinc/53/60/00/1094536000.db2.gz XHFDKIYEGBZSJZ-CYBMUJFWSA-N -1 3 371.506 4.443 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c(C)c1C ZINC000522665998 1095232679 /nfs/dbraw/zinc/23/26/79/1095232679.db2.gz GCPURSZJZYLMMB-UHFFFAOYSA-N -1 3 363.479 4.208 20 0 FIADHM CCCCc1nc(NC(=O)[C@@H](C)CC2CCCCC2)c(C(=O)OCC)[n-]1 ZINC001269123625 1095567560 /nfs/dbraw/zinc/56/75/60/1095567560.db2.gz FLZIKUZGROXQBW-AWEZNQCLSA-N -1 3 363.502 4.474 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCC(F)(F)C3)c2)n1 ZINC000281801659 1095708039 /nfs/dbraw/zinc/70/80/39/1095708039.db2.gz FOBUAAKOPALLSS-ZDUSSCGKSA-N -1 3 361.392 4.176 20 0 FIADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000502909541 1095937108 /nfs/dbraw/zinc/93/71/08/1095937108.db2.gz GYVIGHZDGAZCGS-CVEARBPZSA-N -1 3 374.506 4.417 20 0 FIADHM O=C(Cc1ccc(Br)c(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000503441939 1096410366 /nfs/dbraw/zinc/41/03/66/1096410366.db2.gz PEOLHCBDTRGQKM-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1[O-] ZINC000532871308 1098560487 /nfs/dbraw/zinc/56/04/87/1098560487.db2.gz FOQMPAPXVXFNML-HNNXBMFYSA-N -1 3 370.518 4.310 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000515753653 1098909936 /nfs/dbraw/zinc/90/99/36/1098909936.db2.gz HLOWRUSCECQNRF-CQSZACIVSA-N -1 3 363.788 4.230 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c(Cl)c1 ZINC000436475537 1099051025 /nfs/dbraw/zinc/05/10/25/1099051025.db2.gz BYJNYHXPFCKXAE-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436524568 1099081639 /nfs/dbraw/zinc/08/16/39/1099081639.db2.gz ADRJOVTXBNXMKQ-UHFFFAOYSA-N -1 3 352.434 4.180 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c([O-])c1 ZINC000436550738 1099096398 /nfs/dbraw/zinc/09/63/98/1099096398.db2.gz TVGXFIWGRVBTOC-HNNXBMFYSA-N -1 3 366.461 4.133 20 0 FIADHM COc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)c([O-])c1 ZINC000436553192 1099099561 /nfs/dbraw/zinc/09/95/61/1099099561.db2.gz DWBJOBJKNWRLCZ-UHFFFAOYSA-N -1 3 362.429 4.120 20 0 FIADHM COc1ccc(Br)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436544779 1099110803 /nfs/dbraw/zinc/11/08/03/1099110803.db2.gz PXKZBDQQIZTIQG-UHFFFAOYSA-N -1 3 350.212 4.032 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c([O-])c1C ZINC000436545444 1099111598 /nfs/dbraw/zinc/11/15/98/1099111598.db2.gz BPMNHMMYNULTRV-INIZCTEOSA-N -1 3 355.434 4.209 20 0 FIADHM COc1cc([C@@H](C)NC(=O)c2ccccc2[O-])ccc1OC1CCCC1 ZINC000436581682 1099130451 /nfs/dbraw/zinc/13/04/51/1099130451.db2.gz GBFVWYTXPFIXPK-CQSZACIVSA-N -1 3 355.434 4.213 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(Br)cn3)no2)c([O-])c1 ZINC000436591815 1099137378 /nfs/dbraw/zinc/13/73/78/1099137378.db2.gz YJTCILONXYPJBV-UHFFFAOYSA-N -1 3 360.211 4.390 20 0 FIADHM Cc1[nH]nc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1C ZINC000436609795 1099143845 /nfs/dbraw/zinc/14/38/45/1099143845.db2.gz XCYGKXPRELVKPO-UHFFFAOYSA-N -1 3 364.430 4.261 20 0 FIADHM CC[C@H](C)n1ncc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C1CC1 ZINC000436610449 1099144387 /nfs/dbraw/zinc/14/43/87/1099144387.db2.gz WYIIFRFKVMDNNL-LBPRGKRZSA-N -1 3 369.465 4.403 20 0 FIADHM CC(=O)c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c(C)nc1C ZINC000436613553 1099147497 /nfs/dbraw/zinc/14/74/97/1099147497.db2.gz RABCMJIEYOGLHA-UHFFFAOYSA-N -1 3 359.385 4.477 20 0 FIADHM C[C@@H]1C[C@H](c2ccccc2)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000516076703 1099155800 /nfs/dbraw/zinc/15/58/00/1099155800.db2.gz VLXCXZUWRKBUKF-BEFAXECRSA-N -1 3 362.429 4.418 20 0 FIADHM Cc1ccc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)c([O-])c1 ZINC000436648867 1099190601 /nfs/dbraw/zinc/19/06/01/1099190601.db2.gz NIUUMBIOJSEFGF-UHFFFAOYSA-N -1 3 358.869 4.015 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c([O-])c1 ZINC000436648607 1099191445 /nfs/dbraw/zinc/19/14/45/1099191445.db2.gz OSIKSTSBIGAIFX-HNNXBMFYSA-N -1 3 359.853 4.285 20 0 FIADHM COc1ccc(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)c([O-])c1 ZINC000436666296 1099197415 /nfs/dbraw/zinc/19/74/15/1099197415.db2.gz SGGUPCGQWDHLKJ-GFCCVEGCSA-N -1 3 368.458 4.324 20 0 FIADHM CCc1nocc1CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436674250 1099205836 /nfs/dbraw/zinc/20/58/36/1099205836.db2.gz RBDGUUWZRNJFBS-UHFFFAOYSA-N -1 3 364.445 4.000 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(C)c1 ZINC000614867304 1099235650 /nfs/dbraw/zinc/23/56/50/1099235650.db2.gz JTXAFZIYRGNGPK-UHFFFAOYSA-N -1 3 363.479 4.290 20 0 FIADHM COc1cnc2ccccc2c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436703124 1099236966 /nfs/dbraw/zinc/23/69/66/1099236966.db2.gz KVIGVBOPSJCXRS-UHFFFAOYSA-N -1 3 362.307 4.220 20 0 FIADHM Cn1c2ccc(Cl)cc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436703529 1099238705 /nfs/dbraw/zinc/23/87/05/1099238705.db2.gz HEQKAFVLAIFLIJ-UHFFFAOYSA-N -1 3 372.837 4.275 20 0 FIADHM Cc1[nH]c(SCc2noc(-c3ccccc3[O-])n2)nc1-c1ccccc1 ZINC000436722564 1099253687 /nfs/dbraw/zinc/25/36/87/1099253687.db2.gz OJAAUECBTKFGOB-UHFFFAOYSA-N -1 3 364.430 4.433 20 0 FIADHM Cc1cc(CN(C)C)cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436729531 1099267621 /nfs/dbraw/zinc/26/76/21/1099267621.db2.gz BFXHFMSSVBJLEZ-UHFFFAOYSA-N -1 3 353.249 4.321 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000436758372 1099272639 /nfs/dbraw/zinc/27/26/39/1099272639.db2.gz YMPHQPYTOMKTFT-QHCPKHFHSA-N -1 3 373.452 4.197 20 0 FIADHM CCCCn1c(C)c(C)nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436775631 1099296264 /nfs/dbraw/zinc/29/62/64/1099296264.db2.gz QWRWNHBBXDFGIE-UHFFFAOYSA-N -1 3 358.467 4.348 20 0 FIADHM Cc1ncc(-c2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc2)o1 ZINC000436776873 1099297636 /nfs/dbraw/zinc/29/76/36/1099297636.db2.gz KXNNXESHQSISTG-UHFFFAOYSA-N -1 3 364.401 4.321 20 0 FIADHM O=C(CCCc1csc2ccccc12)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000533674755 1099297926 /nfs/dbraw/zinc/29/79/26/1099297926.db2.gz HXHJMUYBXUGOOS-UHFFFAOYSA-N -1 3 362.458 4.070 20 0 FIADHM Cc1cccc(-n2ccnc2SCc2noc(-c3ccccc3[O-])n2)c1 ZINC000436778586 1099300705 /nfs/dbraw/zinc/30/07/05/1099300705.db2.gz RNODWYFJCFLALT-UHFFFAOYSA-N -1 3 364.430 4.229 20 0 FIADHM Cc1cc(C2CCN(C(=O)c3ccccc3[O-])CC2)ccc1Br ZINC000436780650 1099302332 /nfs/dbraw/zinc/30/23/32/1099302332.db2.gz FNXDJEKJSNVUTD-UHFFFAOYSA-N -1 3 374.278 4.483 20 0 FIADHM CC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1[C@H]1CCCO1 ZINC000436788259 1099321013 /nfs/dbraw/zinc/32/10/13/1099321013.db2.gz VXPBCXRCDUDGLH-NHCUHLMSSA-N -1 3 365.473 4.013 20 0 FIADHM CCOC1(C)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436789767 1099321782 /nfs/dbraw/zinc/32/17/82/1099321782.db2.gz DDZRFAPTWOMGAD-UHFFFAOYSA-N -1 3 355.434 4.216 20 0 FIADHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c([O-])c1 ZINC000436789565 1099322638 /nfs/dbraw/zinc/32/26/38/1099322638.db2.gz FAAJXJMFVMZASJ-QGZVFWFLSA-N -1 3 366.244 4.221 20 0 FIADHM CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(C)cc1[O-] ZINC000436795358 1099326753 /nfs/dbraw/zinc/32/67/53/1099326753.db2.gz FKFMEPDLMHCZGC-MRXNPFEDSA-N -1 3 368.477 4.197 20 0 FIADHM COc1cccc(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1[O-] ZINC000436797206 1099327262 /nfs/dbraw/zinc/32/72/62/1099327262.db2.gz YZWCJANUVGZRRJ-UHFFFAOYSA-N -1 3 372.421 4.148 20 0 FIADHM COc1cccc(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)c1[O-] ZINC000436832792 1099343362 /nfs/dbraw/zinc/34/33/62/1099343362.db2.gz KJTGYJJQBDTVCU-UHFFFAOYSA-N -1 3 372.471 4.499 20 0 FIADHM CCc1ccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c([O-])c1 ZINC000436819777 1099346820 /nfs/dbraw/zinc/34/68/20/1099346820.db2.gz JPIQULLVWDUPPJ-BFUOFWGJSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1ccc(C(=O)Nc2cccc(OCc3cscn3)c2)c([O-])c1 ZINC000436822939 1099351134 /nfs/dbraw/zinc/35/11/34/1099351134.db2.gz YHGPISVEUKCQQO-UHFFFAOYSA-N -1 3 354.431 4.242 20 0 FIADHM CC(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436855045 1099355164 /nfs/dbraw/zinc/35/51/64/1099355164.db2.gz WBYQNMHYRCJRDF-UHFFFAOYSA-N -1 3 352.217 4.174 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC[C@H]1c1cc[nH]n1 ZINC000436857282 1099356507 /nfs/dbraw/zinc/35/65/07/1099356507.db2.gz WDDBIPBWJLPRGN-FQEVSTJZSA-N -1 3 361.445 4.074 20 0 FIADHM COc1ccc(CCC2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000436841875 1099359991 /nfs/dbraw/zinc/35/99/91/1099359991.db2.gz TVJKHHJIELDSKE-UHFFFAOYSA-N -1 3 353.462 4.194 20 0 FIADHM COc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2OC)c([O-])c1 ZINC000436863269 1099374441 /nfs/dbraw/zinc/37/44/41/1099374441.db2.gz IFGQYJKQWMACHS-KSSFIOAISA-N -1 3 355.434 4.023 20 0 FIADHM COc1ccc(C(C)=O)c(Nc2ccc([O-])c(F)c2F)c1Br ZINC001212013965 1099378298 /nfs/dbraw/zinc/37/82/98/1099378298.db2.gz RVUQIJQHSNAVED-UHFFFAOYSA-N -1 3 372.165 4.388 20 0 FIADHM C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccccc1[O-] ZINC000436857830 1099389552 /nfs/dbraw/zinc/38/95/52/1099389552.db2.gz YKGJTNUNYVISJA-PXAZEXFGSA-N -1 3 365.351 4.013 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(Cc2ccccn2)no1 ZINC000436893496 1099391568 /nfs/dbraw/zinc/39/15/68/1099391568.db2.gz BIXNIRNCRUCEBI-UHFFFAOYSA-N -1 3 359.385 4.007 20 0 FIADHM CC(C)c1ccc(-c2nc(C(C)(C)NC(=O)c3ccccc3)no2)c([O-])c1 ZINC000436882897 1099399341 /nfs/dbraw/zinc/39/93/41/1099399341.db2.gz XTDWJEBCEOAHLA-UHFFFAOYSA-N -1 3 365.433 4.231 20 0 FIADHM COc1ccc(Br)cc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436912080 1099419694 /nfs/dbraw/zinc/41/96/94/1099419694.db2.gz VVKCFTGTEHHCCI-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM Cc1ccc(-c2nc(Cc3ccc(OCc4ccccn4)cc3)no2)c([O-])c1 ZINC000436900105 1099425249 /nfs/dbraw/zinc/42/52/49/1099425249.db2.gz GTMLLBILSBMZGN-UHFFFAOYSA-N -1 3 373.412 4.315 20 0 FIADHM Cc1csc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)n1 ZINC000436923351 1099436653 /nfs/dbraw/zinc/43/66/53/1099436653.db2.gz BYKKBMAUOXCKJZ-UHFFFAOYSA-N -1 3 365.414 4.453 20 0 FIADHM CO[C@H](c1noc(-c2cc3ccccc3cc2[O-])n1)c1ccc(F)cc1 ZINC000436951023 1099445670 /nfs/dbraw/zinc/44/56/70/1099445670.db2.gz QUIBMEUOOITWKK-SFHVURJKSA-N -1 3 350.349 4.470 20 0 FIADHM O=c1nc(-c2cc([O-])cc(Cl)c2)[nH]c2sc3c(c21)CCSC3 ZINC000436934652 1099447738 /nfs/dbraw/zinc/44/77/38/1099447738.db2.gz YDCGEKCPSQSVQR-UHFFFAOYSA-N -1 3 350.852 4.212 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(CCc2ccco2)no1 ZINC000436947845 1099458037 /nfs/dbraw/zinc/45/80/37/1099458037.db2.gz UZSNJPJANVUWRC-UHFFFAOYSA-N -1 3 362.385 4.399 20 0 FIADHM Cc1ccc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c([O-])c1 ZINC000436948963 1099459911 /nfs/dbraw/zinc/45/99/11/1099459911.db2.gz KYQADOXCXIOJSH-UHFFFAOYSA-N -1 3 371.440 4.029 20 0 FIADHM Cc1ccc(-c2nc(-c3ccc(C(=O)N4CCC[C@@H]4C)cc3)no2)c([O-])c1 ZINC000436952607 1099470212 /nfs/dbraw/zinc/47/02/12/1099470212.db2.gz XGZBRKBXLGKPOL-AWEZNQCLSA-N -1 3 363.417 4.042 20 0 FIADHM CCn1c2ccccc2nc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000067697727 1099494805 /nfs/dbraw/zinc/49/48/05/1099494805.db2.gz OYRNDKCUGSTVAG-UHFFFAOYSA-N -1 3 350.249 4.358 20 0 FIADHM C[C@@H]1N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC12CCOCC2 ZINC000436991107 1099495130 /nfs/dbraw/zinc/49/51/30/1099495130.db2.gz QHZLNTIZFICMMJ-KRWDZBQOSA-N -1 3 365.473 4.014 20 0 FIADHM CC(C)Sc1cc(Br)ccc1CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000263525011 1099800734 /nfs/dbraw/zinc/80/07/34/1099800734.db2.gz SWWZAWBOLOKCGT-MRXNPFEDSA-N -1 3 372.328 4.246 20 0 FIADHM Cc1csc([C@@H](NCc2cccc([O-])c2Br)C2CC2)n1 ZINC000459426991 1100163888 /nfs/dbraw/zinc/16/38/88/1100163888.db2.gz UPHXZEMJSJEMOE-AWEZNQCLSA-N -1 3 353.285 4.161 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1Br ZINC000459462687 1100206857 /nfs/dbraw/zinc/20/68/57/1100206857.db2.gz LMVWWUDURDKEFV-CQSZACIVSA-N -1 3 366.230 4.297 20 0 FIADHM CSCc1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000459513062 1100250831 /nfs/dbraw/zinc/25/08/31/1100250831.db2.gz OAGWVINGCKKXRR-UHFFFAOYSA-N -1 3 352.297 4.308 20 0 FIADHM CCOc1cc(CN2CCSC[C@H]2c2nccs2)cc(Cl)c1[O-] ZINC000459518223 1100258287 /nfs/dbraw/zinc/25/82/87/1100258287.db2.gz FKPXGIWHNXCTSY-ZDUSSCGKSA-N -1 3 370.927 4.191 20 0 FIADHM CC(C)[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000438480746 1100684005 /nfs/dbraw/zinc/68/40/05/1100684005.db2.gz BFHUQIOOWCOXGW-CQSZACIVSA-N -1 3 371.481 4.269 20 0 FIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1Cl ZINC000517934743 1100793479 /nfs/dbraw/zinc/79/34/79/1100793479.db2.gz FFGKIUUJSXYCOH-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(C)c1 ZINC000438767558 1100906674 /nfs/dbraw/zinc/90/66/74/1100906674.db2.gz BGYGURUZKCXPIU-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C1CCCC1 ZINC001211845930 1100995073 /nfs/dbraw/zinc/99/50/73/1100995073.db2.gz DKGMTTTYSQXECC-INIZCTEOSA-N -1 3 364.536 4.366 20 0 FIADHM CC[C@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(C(F)(F)F)c1 ZINC000438942706 1101047583 /nfs/dbraw/zinc/04/75/83/1101047583.db2.gz RHHLXCJUOVCZQM-HNNXBMFYSA-N -1 3 374.366 4.045 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCc4ccccc43)cc2)cc(=O)[n-]1 ZINC000518447600 1101208316 /nfs/dbraw/zinc/20/83/16/1101208316.db2.gz LJTVWNOKSBCXRM-KRWDZBQOSA-N -1 3 374.444 4.009 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OCC2CC2)cc1 ZINC000518467364 1101226507 /nfs/dbraw/zinc/22/65/07/1101226507.db2.gz ONAOIZOZTHNNSM-UHFFFAOYSA-N -1 3 362.223 4.196 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(C2CCC2)cc1 ZINC000648432197 1101330860 /nfs/dbraw/zinc/33/08/60/1101330860.db2.gz SWRLHZQMXDEUNF-UHFFFAOYSA-N -1 3 357.763 4.041 20 0 FIADHM COc1ccc(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c([O-])c1 ZINC000172807284 1101355400 /nfs/dbraw/zinc/35/54/00/1101355400.db2.gz GTRZHETUGJPOSZ-ZDUSSCGKSA-N -1 3 360.479 4.001 20 0 FIADHM O=c1[n-]c(-c2nc(-c3ccc(Cl)cc3Br)no2)ccc1F ZINC001214085067 1101357701 /nfs/dbraw/zinc/35/77/01/1101357701.db2.gz DVZAZJZUZGHDIU-UHFFFAOYSA-N -1 3 370.565 4.059 20 0 FIADHM O=C(NCC1CCC(c2ccccc2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000518666105 1101413173 /nfs/dbraw/zinc/41/31/73/1101413173.db2.gz XRPYAMPXGMDFHH-UHFFFAOYSA-N -1 3 360.457 4.232 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000519057556 1101880269 /nfs/dbraw/zinc/88/02/69/1101880269.db2.gz VBWOGGQBWAUXBX-SJLPKXTDSA-N -1 3 368.481 4.494 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(Br)cs1 ZINC000476136261 1101962392 /nfs/dbraw/zinc/96/23/92/1101962392.db2.gz FNUNPJPYMMMINH-UHFFFAOYSA-N -1 3 366.158 4.487 20 0 FIADHM CCc1ccc([C@@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)cc1 ZINC000519183950 1101993075 /nfs/dbraw/zinc/99/30/75/1101993075.db2.gz ZVRWORUBHYJBIE-GOSISDBHSA-N -1 3 373.880 4.469 20 0 FIADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(OC(F)F)c(Cl)c1 ZINC000519200964 1102004045 /nfs/dbraw/zinc/00/40/45/1102004045.db2.gz VLTKWMRBQWGIHI-UHFFFAOYSA-N -1 3 369.723 4.020 20 0 FIADHM COc1cccc(C(F)(F)C(=O)[N-]C(C)(C)c2ccc(F)c(F)c2)c1 ZINC001126677033 1102048536 /nfs/dbraw/zinc/04/85/36/1102048536.db2.gz RHMJKELLCCQMOW-UHFFFAOYSA-N -1 3 355.331 4.117 20 0 FIADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000103069486 1102087827 /nfs/dbraw/zinc/08/78/27/1102087827.db2.gz RSERLGSQCUSKFA-LLVKDONJSA-N -1 3 364.239 4.296 20 0 FIADHM CCCc1nnc([N-]C(=O)c2csc(-c3ccc(C)cc3C)n2)s1 ZINC000519331706 1102113267 /nfs/dbraw/zinc/11/32/67/1102113267.db2.gz VPGDAMMKLSWQEG-UHFFFAOYSA-N -1 3 358.492 4.483 20 0 FIADHM O=C([O-])c1cccc(CN2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000263419208 1102133809 /nfs/dbraw/zinc/13/38/09/1102133809.db2.gz OGMYCUIHZGUAQS-INIZCTEOSA-N -1 3 360.251 4.137 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000440273647 1102162450 /nfs/dbraw/zinc/16/24/50/1102162450.db2.gz WFRWNDBGNMBQCO-OAHLLOKOSA-N -1 3 372.896 4.127 20 0 FIADHM Cc1ccc(-c2n[nH]cc2CN2CCC(c3ccccc3C(=O)[O-])CC2)o1 ZINC000666585638 1102306954 /nfs/dbraw/zinc/30/69/54/1102306954.db2.gz DQKWXXNABZQFIG-UHFFFAOYSA-N -1 3 365.433 4.056 20 0 FIADHM CN(Cc1cccc2ccccc21)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053017172 1102501991 /nfs/dbraw/zinc/50/19/91/1102501991.db2.gz NESLJOBKKXAPRD-UHFFFAOYSA-N -1 3 369.424 4.455 20 0 FIADHM O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1c[n-]c2ccccc2c1=O ZINC000101522147 1102514055 /nfs/dbraw/zinc/51/40/55/1102514055.db2.gz YUWFZZPIEDRRME-UHFFFAOYSA-N -1 3 368.392 4.011 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000122124513 1102527507 /nfs/dbraw/zinc/52/75/07/1102527507.db2.gz UGJNKRUEYMFPCZ-HXUWFJFHSA-N -1 3 364.445 4.033 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](c2ccccc2Cl)C(C)C)c1 ZINC000122511692 1102587738 /nfs/dbraw/zinc/58/77/38/1102587738.db2.gz KPDMHVAUILGOHI-LJQANCHMSA-N -1 3 374.868 4.473 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000123039834 1102752021 /nfs/dbraw/zinc/75/20/21/1102752021.db2.gz OGQUZJPUEBNSFP-STQMWFEESA-N -1 3 374.868 4.268 20 0 FIADHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc([O-])ccc1Cl ZINC000551014678 1102789891 /nfs/dbraw/zinc/78/98/91/1102789891.db2.gz XGELXXLPAZYQBR-JTQLQIEISA-N -1 3 357.759 4.425 20 0 FIADHM COc1ccc(-c2ccccc2)cc1CNCc1ccccc1CC(=O)[O-] ZINC000426680620 1102925303 /nfs/dbraw/zinc/92/53/03/1102925303.db2.gz PHROOEBQPZPCEG-UHFFFAOYSA-N -1 3 361.441 4.279 20 0 FIADHM COC(=O)c1c(C)c(NC(=O)c2cc([O-])c3ccccc3c2)ccc1F ZINC000426697046 1102926546 /nfs/dbraw/zinc/92/65/46/1102926546.db2.gz VKEFDQFJHDCJSF-UHFFFAOYSA-N -1 3 353.349 4.032 20 0 FIADHM O=C([O-])[C@H](CNCc1c(F)cccc1Cl)Cc1cccc(Cl)c1 ZINC000426698591 1102928087 /nfs/dbraw/zinc/92/80/87/1102928087.db2.gz ZLBQMWHBTNSBFX-LBPRGKRZSA-N -1 3 356.224 4.166 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc(F)cc(Cl)c2)cc1 ZINC000426715142 1102937495 /nfs/dbraw/zinc/93/74/95/1102937495.db2.gz GVZHQDMEVNFZEU-QGZVFWFLSA-N -1 3 351.805 4.183 20 0 FIADHM CC(C)(C)c1nc(CNC[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cs1 ZINC000426710692 1102946393 /nfs/dbraw/zinc/94/63/93/1102946393.db2.gz XGAPCMXITXKJSS-CYBMUJFWSA-N -1 3 366.914 4.127 20 0 FIADHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1OCCC(C)C ZINC000426711333 1102947522 /nfs/dbraw/zinc/94/75/22/1102947522.db2.gz ZMNZDTVBBYEFGN-UHFFFAOYSA-N -1 3 357.450 4.108 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@H](CC3CCCC3)C(=O)[O-])cs2)cc1 ZINC000426728715 1102948124 /nfs/dbraw/zinc/94/81/24/1102948124.db2.gz WUSDVSAXYDNOKB-GOSISDBHSA-N -1 3 374.506 4.154 20 0 FIADHM O=C([O-])[C@H](Cc1cccc(Cl)c1)NCc1csc(-c2ccccc2)n1 ZINC000426729133 1102948580 /nfs/dbraw/zinc/94/85/80/1102948580.db2.gz AFGFVJQPUWMJOC-KRWDZBQOSA-N -1 3 372.877 4.249 20 0 FIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1Br ZINC000426737260 1102955513 /nfs/dbraw/zinc/95/55/13/1102955513.db2.gz NECPJXKCAQASNL-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000506910613 1102962417 /nfs/dbraw/zinc/96/24/17/1102962417.db2.gz USHFMUOIRMHZDG-GFCCVEGCSA-N -1 3 374.362 4.380 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(Br)c1)c1ccc(Cl)c(F)c1 ZINC000426764919 1102963920 /nfs/dbraw/zinc/96/39/20/1102963920.db2.gz YXACXACPNWAMPJ-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1Cl ZINC000614841561 1102965342 /nfs/dbraw/zinc/96/53/42/1102965342.db2.gz UYHNISODHSRGHZ-UHFFFAOYSA-N -1 3 369.870 4.165 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000426752855 1102968156 /nfs/dbraw/zinc/96/81/56/1102968156.db2.gz FSWQIEPBYCOLPZ-BTYIYWSLSA-N -1 3 364.420 4.439 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(C)(C)C)cc2)cc1OC ZINC000426778958 1102982544 /nfs/dbraw/zinc/98/25/44/1102982544.db2.gz CDCPNPRONCVIFK-GOSISDBHSA-N -1 3 371.477 4.307 20 0 FIADHM O=C([O-])C[C@@H](NCc1cccc(-c2ccncc2)c1)c1ccc(F)cc1 ZINC000426781078 1102982613 /nfs/dbraw/zinc/98/26/13/1102982613.db2.gz XZVGLSUIJZNOBP-HXUWFJFHSA-N -1 3 350.393 4.193 20 0 FIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)ccc1F ZINC000426822101 1103017608 /nfs/dbraw/zinc/01/76/08/1103017608.db2.gz ZTIFKJPYUNKGSB-MRXNPFEDSA-N -1 3 366.230 4.202 20 0 FIADHM Cc1nc2c(s1)[C@@H](N(C)Cc1cc(=O)[n-]c(-c3ccccc3)n1)CCC2 ZINC000459379277 1103027107 /nfs/dbraw/zinc/02/71/07/1103027107.db2.gz PGYSHACTEAQRIU-KRWDZBQOSA-N -1 3 366.490 4.124 20 0 FIADHM O=C([O-])C[C@@H](NCc1cccc(OC(F)F)c1)c1cccc(Cl)c1 ZINC000426829134 1103027404 /nfs/dbraw/zinc/02/74/04/1103027404.db2.gz NNUSBLKPRAKHBP-OAHLLOKOSA-N -1 3 355.768 4.247 20 0 FIADHM O=C([O-])C[C@@H](NCc1cc(Br)cs1)c1cccc(Cl)c1 ZINC000426828569 1103029317 /nfs/dbraw/zinc/02/93/17/1103029317.db2.gz LMUKIKNRUIXCTK-CYBMUJFWSA-N -1 3 374.687 4.470 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000532839718 1103262491 /nfs/dbraw/zinc/26/24/91/1103262491.db2.gz LSDGPXVKIYECDW-UHFFFAOYSA-N -1 3 370.792 4.064 20 0 FIADHM O=c1ccnc(C(=Cc2cccc(Br)c2)Cc2ccccc2)[n-]1 ZINC000477400880 1103457384 /nfs/dbraw/zinc/45/73/84/1103457384.db2.gz CPKXSBNZKLWCLN-FOWTUZBSSA-N -1 3 367.246 4.316 20 0 FIADHM O=c1ccnc(C(=Cc2csc(-c3ccccn3)n2)Cc2ccccc2)[n-]1 ZINC000477414063 1103489629 /nfs/dbraw/zinc/48/96/29/1103489629.db2.gz DTWJZSDUXIGTTH-SSZFMOIBSA-N -1 3 372.453 4.484 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(C(F)(F)F)c1 ZINC000025656949 1103676369 /nfs/dbraw/zinc/67/63/69/1103676369.db2.gz VXILUSZALSYOSB-SECBINFHSA-N -1 3 365.323 4.023 20 0 FIADHM CC[C@](C)(NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(F)(F)F ZINC000519630070 1103752399 /nfs/dbraw/zinc/75/23/99/1103752399.db2.gz XAIVHTFHYUIUHK-HNNXBMFYSA-N -1 3 371.384 4.478 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000667024534 1103762795 /nfs/dbraw/zinc/76/27/95/1103762795.db2.gz AADBOOMXRBFPAR-UHFFFAOYSA-N -1 3 367.474 4.010 20 0 FIADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1cn(C)c2ccccc12 ZINC000477687320 1103782001 /nfs/dbraw/zinc/78/20/01/1103782001.db2.gz ACATUUQOSMURIL-LLVKDONJSA-N -1 3 373.250 4.389 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000487385669 1104061178 /nfs/dbraw/zinc/06/11/78/1104061178.db2.gz DRFFOJBUJPCMCM-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1C ZINC000538297228 1104115557 /nfs/dbraw/zinc/11/55/57/1104115557.db2.gz WGTUSJUZWVDFRC-UHFFFAOYSA-N -1 3 351.493 4.143 20 0 FIADHM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000025741433 1104142768 /nfs/dbraw/zinc/14/27/68/1104142768.db2.gz GGTZALSIHZHKAE-UHFFFAOYSA-N -1 3 360.479 4.034 20 0 FIADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(NC(C)=O)ccc2[O-])o1 ZINC000122914511 1104376185 /nfs/dbraw/zinc/37/61/85/1104376185.db2.gz GHLJXEVKKPCIEA-ACJLOTCBSA-N -1 3 370.449 4.119 20 0 FIADHM O=c1[n-]c(SCCCc2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000071793775 1104764669 /nfs/dbraw/zinc/76/46/69/1104764669.db2.gz RSVGIZSGLZCXNG-UHFFFAOYSA-N -1 3 362.458 4.246 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3(c4ccccc4)CCC3)cc2)cc(=O)[n-]1 ZINC000520466864 1104803011 /nfs/dbraw/zinc/80/30/11/1104803011.db2.gz BTFFMUHKKQSJKI-UHFFFAOYSA-N -1 3 374.444 4.359 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c([O-])c1 ZINC000190039631 1104872637 /nfs/dbraw/zinc/87/26/37/1104872637.db2.gz RARFKOMVJMXPOM-UHFFFAOYSA-N -1 3 367.445 4.206 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000191091049 1104964058 /nfs/dbraw/zinc/96/40/58/1104964058.db2.gz JERZEQURTGPUOK-NRFANRHFSA-N -1 3 367.445 4.216 20 0 FIADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cnc(C2CC2)s1 ZINC000520514618 1104969887 /nfs/dbraw/zinc/96/98/87/1104969887.db2.gz QZRHAVCCEGMWFB-UHFFFAOYSA-N -1 3 374.516 4.417 20 0 FIADHM CCCn1cc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC000417568255 1104984376 /nfs/dbraw/zinc/98/43/76/1104984376.db2.gz KDSFMQXUNGQYJR-MRXNPFEDSA-N -1 3 370.280 4.296 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CCc2ccco2)c1Cl ZINC000614602069 1105021364 /nfs/dbraw/zinc/02/13/64/1105021364.db2.gz PPHLHTBKFRVUQO-LLVKDONJSA-N -1 3 362.278 4.194 20 0 FIADHM CCc1ccc(C(=O)N2CCC(c3noc4cc(F)ccc43)CC2)c([O-])c1 ZINC000520673504 1105102051 /nfs/dbraw/zinc/10/20/51/1105102051.db2.gz JANXBPRDGMZCSJ-UHFFFAOYSA-N -1 3 368.408 4.255 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1 ZINC000427625881 1105134151 /nfs/dbraw/zinc/13/41/51/1105134151.db2.gz ISFJWNBJZXNDDV-UHFFFAOYSA-N -1 3 368.458 4.257 20 0 FIADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccco1 ZINC000508024599 1105304434 /nfs/dbraw/zinc/30/44/34/1105304434.db2.gz PNLKFGIKCODHRR-IBGZPJMESA-N -1 3 373.474 4.125 20 0 FIADHM CC[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000427947223 1105323773 /nfs/dbraw/zinc/32/37/73/1105323773.db2.gz RKSROKCYPMJQAG-CQSZACIVSA-N -1 3 355.331 4.360 20 0 FIADHM C[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000451034868 1106900039 /nfs/dbraw/zinc/90/00/39/1106900039.db2.gz YOVUDIAXYLCBCR-NSHDSACASA-N -1 3 355.331 4.013 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)c([O-])c1 ZINC000530458476 1107052394 /nfs/dbraw/zinc/05/23/94/1107052394.db2.gz MITZDFROZGIBMM-OAQYLSRUSA-N -1 3 369.461 4.093 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](C)c3ccc(OC)cc3)nc2)n1 ZINC000301521085 1107057008 /nfs/dbraw/zinc/05/70/08/1107057008.db2.gz LIAZRTOOCIEQFC-AWEZNQCLSA-N -1 3 364.449 4.013 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCO[C@H](C(CC)CC)C3)nc2)n1 ZINC000302056775 1107279067 /nfs/dbraw/zinc/27/90/67/1107279067.db2.gz QDPCRFQQOBYVDN-ROUUACIJSA-N -1 3 370.497 4.202 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C)C[C@@H]3c3ccco3)nc2)n1 ZINC000302061650 1107285080 /nfs/dbraw/zinc/28/50/80/1107285080.db2.gz SGVAOGQPPYDTSV-RHSMWYFYSA-N -1 3 364.449 4.377 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C)C[C@H]3c3ccco3)nc2)n1 ZINC000302061649 1107285223 /nfs/dbraw/zinc/28/52/23/1107285223.db2.gz SGVAOGQPPYDTSV-PBHICJAKSA-N -1 3 364.449 4.377 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000530777757 1107312975 /nfs/dbraw/zinc/31/29/75/1107312975.db2.gz RJYYOVKLCILLSC-WDEREUQCSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]1c1cccc(F)c1F ZINC000530777756 1107313994 /nfs/dbraw/zinc/31/39/94/1107313994.db2.gz RJYYOVKLCILLSC-QWRGUYRKSA-N -1 3 368.177 4.175 20 0 FIADHM COc1cccc([C@H](C)CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000530776988 1107314123 /nfs/dbraw/zinc/31/41/23/1107314123.db2.gz AFFUEJXLPLDXGM-LLVKDONJSA-N -1 3 364.239 4.296 20 0 FIADHM CC(C)(C)OCc1cc(C[N-]c2nc(-c3cccc(Cl)c3)no2)no1 ZINC000302524306 1107380598 /nfs/dbraw/zinc/38/05/98/1107380598.db2.gz ZQGWLIIKJWWRQZ-UHFFFAOYSA-N -1 3 362.817 4.305 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000029046160 1107598205 /nfs/dbraw/zinc/59/82/05/1107598205.db2.gz GCYOYNVRKCUIDL-UHFFFAOYSA-N -1 3 370.268 4.039 20 0 FIADHM COc1ccc(-c2nc(CO[N-]C(=O)CCC3CCCCC3)co2)cc1 ZINC000303511707 1107699282 /nfs/dbraw/zinc/69/92/82/1107699282.db2.gz BLLXSNOOMCLEDZ-UHFFFAOYSA-N -1 3 358.438 4.259 20 0 FIADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000531254141 1107703469 /nfs/dbraw/zinc/70/34/69/1107703469.db2.gz KELQWBQVAUYSQJ-NSHDSACASA-N -1 3 362.223 4.050 20 0 FIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)c1cccc(O)c1 ZINC000428360444 1107745003 /nfs/dbraw/zinc/74/50/03/1107745003.db2.gz BTBYPAGWMPVFPK-LLVKDONJSA-N -1 3 365.838 4.140 20 0 FIADHM CCCCn1ncc(C(=O)Nc2c([O-])ccc(Br)c2C)c1C ZINC000452744880 1107928869 /nfs/dbraw/zinc/92/88/69/1107928869.db2.gz CVVJPCCXZBJCRZ-UHFFFAOYSA-N -1 3 366.259 4.020 20 0 FIADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452759693 1107938618 /nfs/dbraw/zinc/93/86/18/1107938618.db2.gz UVTINSLWPBOVLL-QMMMGPOBSA-N -1 3 354.166 4.380 20 0 FIADHM C[C@H](SC[C@@H]1CCOC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000546542427 1107963921 /nfs/dbraw/zinc/96/39/21/1107963921.db2.gz UEILRPVJBPRSKQ-WDEREUQCSA-N -1 3 362.476 4.488 20 0 FIADHM C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc([O-])c(F)c4)cc3c2C1 ZINC000523424273 1108211117 /nfs/dbraw/zinc/21/11/17/1108211117.db2.gz KTSRANXVNZNOGD-LBPRGKRZSA-N -1 3 352.409 4.067 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000523465993 1108238844 /nfs/dbraw/zinc/23/88/44/1108238844.db2.gz XBODMKFPKXCWAX-UHFFFAOYSA-N -1 3 362.832 4.106 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000523480198 1108268818 /nfs/dbraw/zinc/26/88/18/1108268818.db2.gz KSRBXZGJUZHKNK-CQSZACIVSA-N -1 3 356.319 4.024 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000523480197 1108269625 /nfs/dbraw/zinc/26/96/25/1108269625.db2.gz KSRBXZGJUZHKNK-AWEZNQCLSA-N -1 3 356.319 4.024 20 0 FIADHM CCC(CC)N(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000532009603 1108516172 /nfs/dbraw/zinc/51/61/72/1108516172.db2.gz TUVYBOIEOICNDV-UHFFFAOYSA-N -1 3 355.276 4.017 20 0 FIADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000532090140 1108633837 /nfs/dbraw/zinc/63/38/37/1108633837.db2.gz YHALFUISIWWRAW-UHFFFAOYSA-N -1 3 353.397 4.267 20 0 FIADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2ccc(Br)cn2)c1 ZINC000453616022 1108660617 /nfs/dbraw/zinc/66/06/17/1108660617.db2.gz RPXFLEXGEPQHPJ-MRXNPFEDSA-N -1 3 351.219 4.026 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016129381 1108911068 /nfs/dbraw/zinc/91/10/68/1108911068.db2.gz HNFIFJJARYKYTJ-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM O=S(=O)([N-][C@@H](Cc1ccccc1Cl)c1ccccc1)c1ccco1 ZINC000445759608 1108981721 /nfs/dbraw/zinc/98/17/21/1108981721.db2.gz ROFBLWDNPHXZNO-KRWDZBQOSA-N -1 3 361.850 4.195 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccccc1Oc1ccccc1 ZINC000524589516 1109080016 /nfs/dbraw/zinc/08/00/16/1109080016.db2.gz HMIDTDMHGDJVCH-UHFFFAOYSA-N -1 3 366.392 4.323 20 0 FIADHM CSCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000524623328 1109094792 /nfs/dbraw/zinc/09/47/92/1109094792.db2.gz PFIZPTKJHIBLMQ-UHFFFAOYSA-N -1 3 365.520 4.446 20 0 FIADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C ZINC000446961880 1109400313 /nfs/dbraw/zinc/40/03/13/1109400313.db2.gz DWZZVDZBXPQBKP-UHFFFAOYSA-N -1 3 364.776 4.171 20 0 FIADHM CCCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1-c1cccc(C)c1 ZINC000446985689 1109406488 /nfs/dbraw/zinc/40/64/88/1109406488.db2.gz BDRXDJKVBSAHOZ-UHFFFAOYSA-N -1 3 365.433 4.100 20 0 FIADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1 ZINC000447262243 1109489709 /nfs/dbraw/zinc/48/97/09/1109489709.db2.gz CQKYIPFLXOQNGZ-UHFFFAOYSA-N -1 3 361.394 4.033 20 0 FIADHM Cc1ccc([C@@]2(C)CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)cc1 ZINC000447693886 1109622307 /nfs/dbraw/zinc/62/23/07/1109622307.db2.gz FIOUUVYWAKRDRH-QFIPXVFZSA-N -1 3 355.453 4.353 20 0 FIADHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527175932 1109710013 /nfs/dbraw/zinc/71/00/13/1109710013.db2.gz KLCCVQBSTVGAHP-PTFIGZPYSA-N -1 3 367.470 4.116 20 0 FIADHM [O-]c1cccnc1CNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000527240961 1109719606 /nfs/dbraw/zinc/71/96/06/1109719606.db2.gz GGWALHZXEUZCFT-UHFFFAOYSA-N -1 3 359.223 4.100 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc(F)c(Br)cc1Cl ZINC000527252292 1109723108 /nfs/dbraw/zinc/72/31/08/1109723108.db2.gz FRSNCXVPSDPLQK-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527356812 1109748054 /nfs/dbraw/zinc/74/80/54/1109748054.db2.gz QQRMJSAZSVSHEJ-CQSZACIVSA-N -1 3 372.428 4.125 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCC[C@H](C)CC3)cc2)cc(=O)[n-]1 ZINC000527488367 1109767164 /nfs/dbraw/zinc/76/71/64/1109767164.db2.gz DXFJPCKOWCJZSZ-BBRMVZONSA-N -1 3 354.454 4.248 20 0 FIADHM CCOc1cccc2cc([C@H](C)NC(=O)Cc3ccc([O-])c(F)c3)oc21 ZINC000448598115 1109834602 /nfs/dbraw/zinc/83/46/02/1109834602.db2.gz NWHALEUDCUUAIC-LBPRGKRZSA-N -1 3 357.381 4.096 20 0 FIADHM CC(C)c1ncsc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000448930144 1109936099 /nfs/dbraw/zinc/93/60/99/1109936099.db2.gz WTLIKDMDTRRPGR-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000449917264 1110200146 /nfs/dbraw/zinc/20/01/46/1110200146.db2.gz ZGWYGJOADHZQCD-JSGCOSHPSA-N -1 3 351.780 4.134 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)c2ccccc12 ZINC000461426224 1111209778 /nfs/dbraw/zinc/20/97/78/1111209778.db2.gz KBLPYOBNOSSNCM-UHFFFAOYSA-N -1 3 359.422 4.487 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c1 ZINC000538744376 1111277934 /nfs/dbraw/zinc/27/79/34/1111277934.db2.gz IOOJXQSBXVOLPQ-BFUOFWGJSA-N -1 3 359.853 4.210 20 0 FIADHM CC(C)c1cc(C(=O)N=c2cc(-c3ccccc3)o[n-]2)nn1C(C)(C)C ZINC000461622594 1111299112 /nfs/dbraw/zinc/29/91/12/1111299112.db2.gz DPYLKHDSBSJFPS-UHFFFAOYSA-N -1 3 352.438 4.091 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2)on1)c1occc1COc1ccccc1 ZINC000461630718 1111301861 /nfs/dbraw/zinc/30/18/61/1111301861.db2.gz MGJPVLSUULPKTA-UHFFFAOYSA-N -1 3 360.369 4.188 20 0 FIADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000461803254 1111370004 /nfs/dbraw/zinc/37/00/04/1111370004.db2.gz PBGKRCUDDJANKQ-DNVCBOLYSA-N -1 3 372.490 4.171 20 0 FIADHM CCC(CC)c1nnc([N-]C(=O)c2cnc(Oc3ccccc3)cn2)s1 ZINC000539109508 1111445437 /nfs/dbraw/zinc/44/54/37/1111445437.db2.gz SXWMCTKBLYSQBQ-UHFFFAOYSA-N -1 3 369.450 4.276 20 0 FIADHM CCOc1cc(Br)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000477959199 1111614632 /nfs/dbraw/zinc/61/46/32/1111614632.db2.gz HHBLXJVMAVIEFL-UHFFFAOYSA-N -1 3 370.630 4.459 20 0 FIADHM CCCOc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000253372583 1111694308 /nfs/dbraw/zinc/69/43/08/1111694308.db2.gz FWHYCOGNNVWKGT-UHFFFAOYSA-N -1 3 353.462 4.276 20 0 FIADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000323518097 1111696105 /nfs/dbraw/zinc/69/61/05/1111696105.db2.gz BQCNUFRSAYUXIW-UHFFFAOYSA-N -1 3 368.739 4.002 20 0 FIADHM Cc1ccccc1-n1nc(C(=O)Nc2c([O-])cccc2Cl)c2c1CCC2 ZINC000552781400 1111810493 /nfs/dbraw/zinc/81/04/93/1111810493.db2.gz BVHSOLYXFHGVAS-UHFFFAOYSA-N -1 3 367.836 4.281 20 0 FIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)c(C)c1 ZINC000552827543 1111823509 /nfs/dbraw/zinc/82/35/09/1111823509.db2.gz UKTMDZALJCQKBD-UHFFFAOYSA-N -1 3 363.479 4.121 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000552891280 1111840247 /nfs/dbraw/zinc/84/02/47/1111840247.db2.gz KGHBEOKUNQRIID-UHFFFAOYSA-N -1 3 366.848 4.234 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)c(Cl)c1Cl ZINC000553149569 1111918482 /nfs/dbraw/zinc/91/84/82/1111918482.db2.gz DHGJPQFJVJTJIH-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM CC[C@H](C)Oc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000553207038 1111930251 /nfs/dbraw/zinc/93/02/51/1111930251.db2.gz OVRHMLZQKXPCFI-ZDUSSCGKSA-N -1 3 368.408 4.405 20 0 FIADHM Cc1cc(C)c(C[S@](=O)c2ccc([O-])cc2)c(OCc2ccccc2)n1 ZINC000553521540 1111998681 /nfs/dbraw/zinc/99/86/81/1111998681.db2.gz FPYCAGUSDNSRPB-SANMLTNESA-N -1 3 367.470 4.291 20 0 FIADHM Cc1ccc([O-])c(CNCc2nc(-c3cc4ccccc4o3)cs2)n1 ZINC000479413028 1112019574 /nfs/dbraw/zinc/01/95/74/1112019574.db2.gz CRHJOPPMCIGFKL-UHFFFAOYSA-N -1 3 351.431 4.255 20 0 FIADHM COCc1cccc2sc([N-]C(=O)c3c(F)c(F)cc(F)c3F)nc21 ZINC000480872557 1112644542 /nfs/dbraw/zinc/64/45/42/1112644542.db2.gz NWKUKJBQJBNVGG-UHFFFAOYSA-N -1 3 370.327 4.251 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000600118667 1112890557 /nfs/dbraw/zinc/89/05/57/1112890557.db2.gz UDAZBZWXKNPPSW-ZJUUUORDSA-N -1 3 363.204 4.114 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481956488 1113141086 /nfs/dbraw/zinc/14/10/86/1113141086.db2.gz LKEFYDJDQYABFI-UHFFFAOYSA-N -1 3 353.390 4.005 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482863862 1113380924 /nfs/dbraw/zinc/38/09/24/1113380924.db2.gz GSXMYBFCZBWHCX-CVEARBPZSA-N -1 3 359.416 4.446 20 0 FIADHM O=c1cc(C=Cc2csc(Cl)c2Cl)nc(-c2ccncc2)[n-]1 ZINC000486078866 1113500244 /nfs/dbraw/zinc/50/02/44/1113500244.db2.gz RHDPETKFDNTGFK-UPHRSURJSA-N -1 3 350.230 4.371 20 0 FIADHM CC(C)(C)C[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486434603 1113567597 /nfs/dbraw/zinc/56/75/97/1113567597.db2.gz XWPMZVYDNTYLJU-CYBMUJFWSA-N -1 3 369.303 4.265 20 0 FIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)c(C)ccc1Cl ZINC000486567632 1113596244 /nfs/dbraw/zinc/59/62/44/1113596244.db2.gz PUPWKXZZGCPVDB-UHFFFAOYSA-N -1 3 360.262 4.420 20 0 FIADHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)o1 ZINC000486757269 1113636476 /nfs/dbraw/zinc/63/64/76/1113636476.db2.gz HUHKSFCRHIANAI-UHFFFAOYSA-N -1 3 356.451 4.336 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])C1(c2cccnc2)CCCC1 ZINC000486800772 1113652269 /nfs/dbraw/zinc/65/22/69/1113652269.db2.gz TWFPOWQFOYEKAC-UHFFFAOYSA-N -1 3 361.239 4.000 20 0 FIADHM O=C(CCc1ccccc1)N1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000044010736 1113880555 /nfs/dbraw/zinc/88/05/55/1113880555.db2.gz HLVNWFVETVDDCD-HZHRSRAPSA-N -1 3 370.880 4.088 20 0 FIADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000488307189 1113908779 /nfs/dbraw/zinc/90/87/79/1113908779.db2.gz KGYCEVDJQXNADL-UHFFFAOYSA-N -1 3 354.431 4.237 20 0 FIADHM Cc1cc(C)cc(C2(C(=O)NCc3ccc([O-])c(Br)c3)CC2)c1 ZINC000488672778 1113970963 /nfs/dbraw/zinc/97/09/63/1113970963.db2.gz HTTRZQYYKDQGTD-UHFFFAOYSA-N -1 3 374.278 4.120 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(C(F)(F)F)cc1 ZINC000488684137 1113972814 /nfs/dbraw/zinc/97/28/14/1113972814.db2.gz HRTWAEVSNFUDMR-UHFFFAOYSA-N -1 3 374.156 4.104 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3ccc(Cl)s3)o2)n1 ZINC000488852316 1114006664 /nfs/dbraw/zinc/00/66/64/1114006664.db2.gz JWXFWRDNNVGFSQ-ZETCQYMHSA-N -1 3 354.844 4.109 20 0 FIADHM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1cc(F)ccc1Cl ZINC000488919000 1114015747 /nfs/dbraw/zinc/01/57/47/1114015747.db2.gz NXRJKDCJJPMICM-KRWDZBQOSA-N -1 3 365.813 4.140 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3ccccc3C)c2)n1 ZINC000044197210 1114068825 /nfs/dbraw/zinc/06/88/25/1114068825.db2.gz GFJHVPIUXARZIJ-UHFFFAOYSA-N -1 3 364.474 4.117 20 0 FIADHM CC(C)(C)c1nc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cs1 ZINC000490329111 1114274093 /nfs/dbraw/zinc/27/40/93/1114274093.db2.gz IJDHWFPKAZPEFM-SREVYHEPSA-N -1 3 360.464 4.308 20 0 FIADHM O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2ccco2)[n-]n1 ZINC000913295967 1114324529 /nfs/dbraw/zinc/32/45/29/1114324529.db2.gz IIYUFCXSCFDSPM-NRFANRHFSA-N -1 3 372.380 4.451 20 0 FIADHM O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2ccco2)n[n-]1 ZINC000913295967 1114324533 /nfs/dbraw/zinc/32/45/33/1114324533.db2.gz IIYUFCXSCFDSPM-NRFANRHFSA-N -1 3 372.380 4.451 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(C(F)(F)F)s2)c1F ZINC000586814536 1114392106 /nfs/dbraw/zinc/39/21/06/1114392106.db2.gz RVZZISTVKFJRFI-UHFFFAOYSA-N -1 3 365.279 4.084 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000669227785 1114494208 /nfs/dbraw/zinc/49/42/08/1114494208.db2.gz DONGECHHZFBRLG-LIRRHRJNSA-N -1 3 357.475 4.025 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2c[nH]c3cc(Cl)ccc23)[nH][n-]1 ZINC000588926425 1114675456 /nfs/dbraw/zinc/67/54/56/1114675456.db2.gz IOSSUXKXDHOGSN-UHFFFAOYSA-N -1 3 350.809 4.194 20 0 FIADHM CSc1nc(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)n[n-]1 ZINC000589692140 1114828267 /nfs/dbraw/zinc/82/82/67/1114828267.db2.gz XBGDWSAGELNJEG-UHFFFAOYSA-N -1 3 364.474 4.059 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000590103361 1114894918 /nfs/dbraw/zinc/89/49/18/1114894918.db2.gz VCUAIDGVXXRVBG-NXEZZACHSA-N -1 3 363.204 4.114 20 0 FIADHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000572967761 1114939818 /nfs/dbraw/zinc/93/98/18/1114939818.db2.gz SWEODCGTMSMUOU-GOSISDBHSA-N -1 3 363.816 4.148 20 0 FIADHM CCCCCCCCc1nnc([N-]C(=O)c2nc(C)ncc2Cl)s1 ZINC000157220384 1115002635 /nfs/dbraw/zinc/00/26/35/1115002635.db2.gz HSIXJFFIGJEBLD-UHFFFAOYSA-N -1 3 367.906 4.445 20 0 FIADHM CCOc1ccc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000057899675 1115029705 /nfs/dbraw/zinc/02/97/05/1115029705.db2.gz GSDBFTLSIMCZCW-UHFFFAOYSA-N -1 3 352.415 4.360 20 0 FIADHM Cc1ccc2c(Cl)c(C(=O)Nc3nnc(C(F)(F)F)[n-]3)sc2c1 ZINC000591151698 1115030301 /nfs/dbraw/zinc/03/03/01/1115030301.db2.gz RIAQJFCHFQJQOA-UHFFFAOYSA-N -1 3 360.748 4.252 20 0 FIADHM Cc1ccc2c(Cl)c(C(=O)Nc3nc(C(F)(F)F)n[n-]3)sc2c1 ZINC000591151698 1115030304 /nfs/dbraw/zinc/03/03/04/1115030304.db2.gz RIAQJFCHFQJQOA-UHFFFAOYSA-N -1 3 360.748 4.252 20 0 FIADHM Cc1ccc2c(Cl)c(C(=O)Nc3n[n-]c(C(F)(F)F)n3)sc2c1 ZINC000591151698 1115030307 /nfs/dbraw/zinc/03/03/07/1115030307.db2.gz RIAQJFCHFQJQOA-UHFFFAOYSA-N -1 3 360.748 4.252 20 0 FIADHM O=c1cc(CSCc2ccc(-c3ncco3)cc2F)nc(C2CC2)[n-]1 ZINC000591405117 1115078808 /nfs/dbraw/zinc/07/88/08/1115078808.db2.gz SSXNUKSDAPNYBM-UHFFFAOYSA-N -1 3 357.410 4.287 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1F ZINC000591796821 1115139705 /nfs/dbraw/zinc/13/97/05/1115139705.db2.gz FOUOKCHMQIIFMI-UHFFFAOYSA-N -1 3 358.394 4.122 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CC[C@H](c2cccnc2)C1 ZINC000573807956 1115183176 /nfs/dbraw/zinc/18/31/76/1115183176.db2.gz FIIJOQQTIHSUMQ-LRDDRELGSA-N -1 3 351.233 4.004 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)CCc2ccc(Br)cc2)c1 ZINC000592877407 1115269253 /nfs/dbraw/zinc/26/92/53/1115269253.db2.gz SAAYAYDZEKSJEG-UHFFFAOYSA-N -1 3 362.267 4.032 20 0 FIADHM Cc1nc(C)c(CC(=O)OCc2ccc(C3CCCCC3)cc2)c(=O)[n-]1 ZINC000761080753 1115491419 /nfs/dbraw/zinc/49/14/19/1115491419.db2.gz OTYGVEBCKNBSGR-UHFFFAOYSA-N -1 3 354.450 4.133 20 0 FIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2c(cccc2F)s1 ZINC000046755003 1115529282 /nfs/dbraw/zinc/52/92/82/1115529282.db2.gz YBZNTPIITJIOTM-UHFFFAOYSA-N -1 3 356.407 4.206 20 0 FIADHM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)o1 ZINC000596068782 1115573543 /nfs/dbraw/zinc/57/35/43/1115573543.db2.gz ZTHKMSMZOIFXGR-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM COc1ccccc1-c1cc(=NC(=O)CCCCCc2cccs2)[nH][n-]1 ZINC000596784767 1115616532 /nfs/dbraw/zinc/61/65/32/1115616532.db2.gz KMKVDTLYDKOJFJ-UHFFFAOYSA-N -1 3 369.490 4.310 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(C)CCCC3)cc2)cc1 ZINC000596931292 1115629481 /nfs/dbraw/zinc/62/94/81/1115629481.db2.gz DAPOYRNUIWLXNZ-UHFFFAOYSA-N -1 3 372.490 4.315 20 0 FIADHM Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c([O-])c1 ZINC000598204368 1115714343 /nfs/dbraw/zinc/71/43/43/1115714343.db2.gz IITLTXFRDNVPJM-MRXNPFEDSA-N -1 3 367.445 4.176 20 0 FIADHM Cc1cccc([O-])c1C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000599530305 1115823972 /nfs/dbraw/zinc/82/39/72/1115823972.db2.gz QHNKLPYJGMAIEL-UHFFFAOYSA-N -1 3 357.475 4.365 20 0 FIADHM C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC001212188196 1115824925 /nfs/dbraw/zinc/82/49/25/1115824925.db2.gz VTUVMURASDXPSE-GOSISDBHSA-N -1 3 367.873 4.169 20 0 FIADHM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)O1 ZINC000669712334 1115856892 /nfs/dbraw/zinc/85/68/92/1115856892.db2.gz WZKCFTGZSFEMKX-SEDUGSJDSA-N -1 3 368.458 4.421 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1C ZINC000605495850 1115904525 /nfs/dbraw/zinc/90/45/25/1115904525.db2.gz ZWCIIJRTWHQRRK-LLVKDONJSA-N -1 3 351.855 4.081 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1 ZINC000606343618 1115934494 /nfs/dbraw/zinc/93/44/94/1115934494.db2.gz PRRKUUUXOLTLIY-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM O=C(CCCOc1cccc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000606537329 1115954017 /nfs/dbraw/zinc/95/40/17/1115954017.db2.gz BPZZGQPHZJUBEH-UHFFFAOYSA-N -1 3 353.393 4.160 20 0 FIADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606693229 1115962431 /nfs/dbraw/zinc/96/24/31/1115962431.db2.gz YLRBDOBJHPCTAQ-HNNXBMFYSA-N -1 3 350.821 4.005 20 0 FIADHM O=S(=O)([N-]CCc1cc2ccccc2o1)c1c(Cl)cccc1Cl ZINC000606906127 1115981582 /nfs/dbraw/zinc/98/15/82/1115981582.db2.gz HJQVEALCTPSTJK-UHFFFAOYSA-N -1 3 370.257 4.261 20 0 FIADHM CCCc1c(C(=O)[N-]c2c(C)noc2C)nnn1-c1cccc(C(C)C)c1 ZINC000607482426 1116035351 /nfs/dbraw/zinc/03/53/51/1116035351.db2.gz MUPQOLOADWGOFL-UHFFFAOYSA-N -1 3 367.453 4.200 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1OC(C)C ZINC000607616744 1116049545 /nfs/dbraw/zinc/04/95/45/1116049545.db2.gz PRIXQRGVBRKCSS-UHFFFAOYSA-N -1 3 356.447 4.131 20 0 FIADHM CN(CCc1cccs1)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000173408140 1116061406 /nfs/dbraw/zinc/06/14/06/1116061406.db2.gz HBBZCEYRVAKVBE-UHFFFAOYSA-N -1 3 350.557 4.257 20 0 FIADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1NC(=O)c1cccs1 ZINC000533965171 1116065183 /nfs/dbraw/zinc/06/51/83/1116065183.db2.gz QBEHLGPYMZLUKE-UHFFFAOYSA-N -1 3 370.405 4.406 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C4CCCC4)CC3)nc2)n1 ZINC000608092640 1116084024 /nfs/dbraw/zinc/08/40/24/1116084024.db2.gz ALQCSJXBDABIJB-UHFFFAOYSA-N -1 3 352.482 4.213 20 0 FIADHM O=c1[n-]c(SCC2CCCC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000608101935 1116084478 /nfs/dbraw/zinc/08/44/78/1116084478.db2.gz XBJACGWUKQVDRD-UHFFFAOYSA-N -1 3 360.870 4.457 20 0 FIADHM CCc1cc2c(CN[C@](C)(CC)c3nc(C)cs3)cc(=O)oc2cc1[O-] ZINC000173944235 1116100963 /nfs/dbraw/zinc/10/09/63/1116100963.db2.gz SBOXRVMWKWEADE-HXUWFJFHSA-N -1 3 372.490 4.241 20 0 FIADHM C[C@@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccco1 ZINC000608359923 1116101936 /nfs/dbraw/zinc/10/19/36/1116101936.db2.gz PHBGCSFHRJYNGM-SECBINFHSA-N -1 3 350.205 4.141 20 0 FIADHM O=C(OCc1coc(-c2ccc(Br)cc2)n1)c1ccc([O-])cc1 ZINC000063895542 1116122436 /nfs/dbraw/zinc/12/24/36/1116122436.db2.gz SCFVAWLEJKPKOS-UHFFFAOYSA-N -1 3 374.190 4.167 20 0 FIADHM CCc1cc2c(CN[C@H](C)c3c(F)cccc3OC)cc(=O)oc2cc1[O-] ZINC000174232809 1116123404 /nfs/dbraw/zinc/12/34/04/1116123404.db2.gz XKNXBCYTQCYUMH-GFCCVEGCSA-N -1 3 371.408 4.060 20 0 FIADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000609015891 1116140665 /nfs/dbraw/zinc/14/06/65/1116140665.db2.gz KVMMQBUEJADLJQ-UHFFFAOYSA-N -1 3 355.912 4.355 20 0 FIADHM COc1ccc(C[C@H](C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000534799945 1116239335 /nfs/dbraw/zinc/23/93/35/1116239335.db2.gz ZKGNVIPVOXYOMY-NSHDSACASA-N -1 3 353.340 4.237 20 0 FIADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1cccs1 ZINC000462491898 1116361172 /nfs/dbraw/zinc/36/11/72/1116361172.db2.gz SXEZNYLGRXNSTE-SNVBAGLBSA-N -1 3 364.319 4.212 20 0 FIADHM Cc1nc(-c2ccc(N[C@@H](C)c3c(F)cccc3F)nc2)[n-]c(=O)c1C ZINC000462783772 1117765637 /nfs/dbraw/zinc/76/56/37/1117765637.db2.gz VPPBLSSKERNXLD-LBPRGKRZSA-N -1 3 356.376 4.312 20 0 FIADHM c1csc(CN2CCC[C@H](CN=c3nc(-c4ccccc4)[n-]s3)C2)c1 ZINC000462797268 1117769651 /nfs/dbraw/zinc/76/96/51/1117769651.db2.gz CPINXHZVIUIEGG-OAHLLOKOSA-N -1 3 370.547 4.013 20 0 FIADHM CCCCCc1nnc([N-]C(=O)c2nc(-c3ccccc3)oc2C)s1 ZINC000014714355 1117848730 /nfs/dbraw/zinc/84/87/30/1117848730.db2.gz QGUGOUIQNMJJLA-UHFFFAOYSA-N -1 3 356.451 4.487 20 0 FIADHM Cc1nnc([N-]C(=O)c2oc3ccccc3c2COc2ccccc2)s1 ZINC000014714992 1117850601 /nfs/dbraw/zinc/85/06/01/1117850601.db2.gz QHZPPEYFRXHXPK-UHFFFAOYSA-N -1 3 365.414 4.424 20 0 FIADHM CSc1cc2c(cc1[N-]C(=O)c1ccoc1C(F)(F)F)OCCO2 ZINC000463718345 1118295173 /nfs/dbraw/zinc/29/51/73/1118295173.db2.gz UBVSGNPANHNXBT-UHFFFAOYSA-N -1 3 359.325 4.044 20 0 FIADHM COc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1OC(C)C ZINC000463785222 1118328502 /nfs/dbraw/zinc/32/85/02/1118328502.db2.gz HRKKHRWHTVXJOS-UHFFFAOYSA-N -1 3 367.442 4.039 20 0 FIADHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646634011 1118711883 /nfs/dbraw/zinc/71/18/83/1118711883.db2.gz QYTRMNMHQWJOKB-UHFFFAOYSA-N -1 3 359.385 4.100 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900575890 1118752275 /nfs/dbraw/zinc/75/22/75/1118752275.db2.gz BAIAXVUNQNJXRL-UHFFFAOYSA-N -1 3 363.870 4.466 20 0 FIADHM COCCOc1ccc(-c2nc3sc4ccccc4c3c(=O)[n-]2)cc1F ZINC000542187282 1118835447 /nfs/dbraw/zinc/83/54/47/1118835447.db2.gz NZSWOJLETVSRPF-UHFFFAOYSA-N -1 3 370.405 4.381 20 0 FIADHM O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1c[n-]c2ccccc2c1=O ZINC000172889518 1118987795 /nfs/dbraw/zinc/98/77/95/1118987795.db2.gz CZWYGHGWSQFLIG-UHFFFAOYSA-N -1 3 366.392 4.241 20 0 FIADHM COc1cccc(C(=O)Nc2nc3ccccc3n2C2CCCC2)c1[O-] ZINC000303912376 1119001819 /nfs/dbraw/zinc/00/18/19/1119001819.db2.gz UPLVJZKQSBWBMY-UHFFFAOYSA-N -1 3 351.406 4.118 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(F)c3Cl)c2)n1 ZINC000173564978 1119050329 /nfs/dbraw/zinc/05/03/29/1119050329.db2.gz DMBQDVDKKBACTQ-UHFFFAOYSA-N -1 3 371.799 4.044 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Br)c(F)c1 ZINC000404979151 1119247020 /nfs/dbraw/zinc/24/70/20/1119247020.db2.gz MZCVFADQOXOKJG-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM COC(=O)c1ccc(F)c([N-]C(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000175981538 1119248039 /nfs/dbraw/zinc/24/80/39/1119248039.db2.gz DOXWEUUEZMKHSF-UHFFFAOYSA-N -1 3 355.321 4.250 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000177718018 1119347568 /nfs/dbraw/zinc/34/75/68/1119347568.db2.gz GAPWDTGLPTUZJF-UHFFFAOYSA-N -1 3 358.246 4.305 20 0 FIADHM c1c[nH]c(-c2csc([N-]c3ncnc4c3cnn4-c3ccccc3)n2)c1 ZINC000178863833 1119413840 /nfs/dbraw/zinc/41/38/40/1119413840.db2.gz IHDIBQXZSORTEI-UHFFFAOYSA-N -1 3 359.418 4.011 20 0 FIADHM Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(F)(F)F ZINC000761553938 1119418927 /nfs/dbraw/zinc/41/89/27/1119418927.db2.gz WNOZPMHBBPOFTO-GFCCVEGCSA-N -1 3 357.357 4.040 20 0 FIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c(C)c1 ZINC000517123483 1119475044 /nfs/dbraw/zinc/47/50/44/1119475044.db2.gz SFKHWGLMOLGQIZ-UHFFFAOYSA-N -1 3 367.442 4.122 20 0 FIADHM CN(Cc1cccc(F)c1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000007674384 1119485706 /nfs/dbraw/zinc/48/57/06/1119485706.db2.gz WNXSWRGDNYTFIP-UHFFFAOYSA-N -1 3 369.421 4.016 20 0 FIADHM Cc1oc2ccccc2c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000184724759 1119621936 /nfs/dbraw/zinc/62/19/36/1119621936.db2.gz QKVDDQPWKCJPNA-UHFFFAOYSA-N -1 3 360.207 4.139 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3coc4cc(C)c(C)cc34)cc2)n1 ZINC000185377211 1119658894 /nfs/dbraw/zinc/65/88/94/1119658894.db2.gz FCIWEDBMNWGYEU-UHFFFAOYSA-N -1 3 373.412 4.361 20 0 FIADHM C[C@@H](SCc1ncccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000190886746 1119952369 /nfs/dbraw/zinc/95/23/69/1119952369.db2.gz XAXJMEUDXWHBJA-SNVBAGLBSA-N -1 3 370.459 4.029 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000195587654 1120183582 /nfs/dbraw/zinc/18/35/82/1120183582.db2.gz NKDYQRPPFVSQHB-UHFFFAOYSA-N -1 3 370.792 4.452 20 0 FIADHM CC[C@@H](c1ccc(Br)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455648 1120216481 /nfs/dbraw/zinc/21/64/81/1120216481.db2.gz ARIKNFXNLHPMAI-BBRMVZONSA-N -1 3 354.288 4.477 20 0 FIADHM CCCCCc1nnc([N-]C(=O)c2cc(Br)cs2)s1 ZINC000195714227 1120217929 /nfs/dbraw/zinc/21/79/29/1120217929.db2.gz RRPFUNAQVBUYEN-UHFFFAOYSA-N -1 3 360.302 4.347 20 0 FIADHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914888958 1120626605 /nfs/dbraw/zinc/62/66/05/1120626605.db2.gz CNDSFXZRJXLRFT-JTQLQIEISA-N -1 3 362.838 4.375 20 0 FIADHM CCC[C@H](NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000914890409 1120628819 /nfs/dbraw/zinc/62/88/19/1120628819.db2.gz FLOAOXGNOMNMMQ-CJNGLKHVSA-N -1 3 370.474 4.432 20 0 FIADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1C1CC1 ZINC000762476742 1120914397 /nfs/dbraw/zinc/91/43/97/1120914397.db2.gz QFAIWFGPJVLTGO-NHAQELONSA-N -1 3 363.458 4.283 20 0 FIADHM COc1cc(Br)cc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000234940785 1120934976 /nfs/dbraw/zinc/93/49/76/1120934976.db2.gz XHGMIPMBKRAYHN-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM O=C(Nc1ccnn1Cc1ccc(F)cc1)c1cc([O-])c2ccccc2c1 ZINC000472029518 1121180801 /nfs/dbraw/zinc/18/08/01/1121180801.db2.gz MZNJKNCMOCHKGD-UHFFFAOYSA-N -1 3 361.376 4.182 20 0 FIADHM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472560121 1121260832 /nfs/dbraw/zinc/26/08/32/1121260832.db2.gz MKMXDXHXLOKMOA-UHFFFAOYSA-N -1 3 359.429 4.097 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)s1 ZINC000056248883 1121295911 /nfs/dbraw/zinc/29/59/11/1121295911.db2.gz JANCKPDQOTXNRA-UHFFFAOYSA-N -1 3 363.851 4.375 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000056080527 1121296783 /nfs/dbraw/zinc/29/67/83/1121296783.db2.gz UBKFTBGMFFLLEF-GOSISDBHSA-N -1 3 352.821 4.159 20 0 FIADHM CC(C)[C@@H]1c2ccccc2CCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000763244578 1121303470 /nfs/dbraw/zinc/30/34/70/1121303470.db2.gz WGILLVAQOVDNRJ-GOSISDBHSA-N -1 3 365.506 4.216 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1C(F)(F)F ZINC000056319186 1121326325 /nfs/dbraw/zinc/32/63/25/1121326325.db2.gz MPUDZRLLYLVRSK-NSHDSACASA-N -1 3 360.335 4.038 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000916104694 1121412667 /nfs/dbraw/zinc/41/26/67/1121412667.db2.gz LFNOIKZLJBVYKL-UHFFFAOYSA-N -1 3 371.289 4.394 20 0 FIADHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000094541710 1121426318 /nfs/dbraw/zinc/42/63/18/1121426318.db2.gz YKSUWDLSDBWDKS-NSHDSACASA-N -1 3 368.362 4.456 20 0 FIADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000058924709 1121439938 /nfs/dbraw/zinc/43/99/38/1121439938.db2.gz HUUZALHXRNQAPF-UTKZUKDTSA-N -1 3 360.457 4.327 20 0 FIADHM O=c1nc(CN2CCC3(CCC3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000671728533 1121557652 /nfs/dbraw/zinc/55/76/52/1121557652.db2.gz WEVOVIRLGQYVDJ-UHFFFAOYSA-N -1 3 355.463 4.423 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nc(-c2ccc(SC)cc2)ns1 ZINC000123550572 1121614104 /nfs/dbraw/zinc/61/41/04/1121614104.db2.gz FERUZCLSBMNVRE-UHFFFAOYSA-N -1 3 362.505 4.198 20 0 FIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c(Cl)c1 ZINC000124420657 1121692731 /nfs/dbraw/zinc/69/27/31/1121692731.db2.gz RROWRWJXZJRBIE-UHFFFAOYSA-N -1 3 373.261 4.061 20 0 FIADHM CC(C)(C)c1nnc([N-]C(=O)c2cnc(Cc3ccccc3)s2)s1 ZINC000125186217 1121754852 /nfs/dbraw/zinc/75/48/52/1121754852.db2.gz HYQVDZAKYIRVNF-UHFFFAOYSA-N -1 3 358.492 4.135 20 0 FIADHM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067138942 1121770534 /nfs/dbraw/zinc/77/05/34/1121770534.db2.gz IEDQOLRAABPMKE-UHFFFAOYSA-N -1 3 359.788 4.240 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000125695825 1121807294 /nfs/dbraw/zinc/80/72/94/1121807294.db2.gz HXQGDUMQUOILEC-CYBMUJFWSA-N -1 3 359.495 4.128 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc4[nH]c(C)c(C)c4c3)nc2)n1 ZINC000068692506 1121839048 /nfs/dbraw/zinc/83/90/48/1121839048.db2.gz BNGSWJGBXAXNTC-UHFFFAOYSA-N -1 3 373.460 4.105 20 0 FIADHM CC[C@@H](C)[C@@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC001127420366 1121886694 /nfs/dbraw/zinc/88/66/94/1121886694.db2.gz XTSCIAJYQMHFIP-CXAGYDPISA-N -1 3 365.433 4.118 20 0 FIADHM COc1ccc(-c2cc3[n-]c(CN4C[C@H](C)[C@@H](C)C4)nc(=O)c3s2)cc1 ZINC000072873290 1121907713 /nfs/dbraw/zinc/90/77/13/1121907713.db2.gz QLCZMXXTUNBTNO-STQMWFEESA-N -1 3 369.490 4.160 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(C(F)(F)F)s1 ZINC000671784923 1121973585 /nfs/dbraw/zinc/97/35/85/1121973585.db2.gz KFURCQVRZSGLBM-UHFFFAOYSA-N -1 3 366.158 4.487 20 0 FIADHM C[C@@H](Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)c1ccc(F)cc1[O-] ZINC000186268101 1121993370 /nfs/dbraw/zinc/99/33/70/1121993370.db2.gz JVJGXRUIHWWNDB-ZIAGYGMSSA-N -1 3 368.412 4.101 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc2cc(Cl)ccc2[nH]1 ZINC000765794686 1122007347 /nfs/dbraw/zinc/00/73/47/1122007347.db2.gz HPQAYSLKPVOUQR-VIFPVBQESA-N -1 3 367.758 4.325 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC(C3CCC3)C3CCC3)cc2)n1 ZINC000624622098 1122068153 /nfs/dbraw/zinc/06/81/53/1122068153.db2.gz QXBMWVMZFMRNNK-UHFFFAOYSA-N -1 3 365.477 4.290 20 0 FIADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000128014007 1122179432 /nfs/dbraw/zinc/17/94/32/1122179432.db2.gz FGIMYJGYUDHLSY-DOTOQJQBSA-N -1 3 351.462 4.303 20 0 FIADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(Br)cc2)CCC1 ZINC000128240859 1122208322 /nfs/dbraw/zinc/20/83/22/1122208322.db2.gz SZXBXKDWZVUODL-UHFFFAOYSA-N -1 3 364.214 4.354 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154315621 1122227336 /nfs/dbraw/zinc/22/73/36/1122227336.db2.gz JJKRQSQRISZNTL-UHFFFAOYSA-N -1 3 360.782 4.019 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497673043 1122349753 /nfs/dbraw/zinc/34/97/53/1122349753.db2.gz SKTHVAHKFUHENF-QGZVFWFLSA-N -1 3 358.388 4.106 20 0 FIADHM CCOc1cc2c(cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1)O[C@@H](C)C2 ZINC000917734410 1122421310 /nfs/dbraw/zinc/42/13/10/1122421310.db2.gz SDXIEXNTEAJRPY-FEAKQIBJSA-N -1 3 373.474 4.130 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=Cc3ccsc3)nc(=O)c2c1C ZINC000917952055 1122494693 /nfs/dbraw/zinc/49/46/93/1122494693.db2.gz VIAXMAWKPUCKFJ-UMCURTJPSA-N -1 3 360.460 4.393 20 0 FIADHM O=C(CSCc1cc(-c2cccs2)on1)Nc1cccc([O-])c1F ZINC000129326748 1122569609 /nfs/dbraw/zinc/56/96/09/1122569609.db2.gz TXDBGTWPVNKMKJ-UHFFFAOYSA-N -1 3 364.423 4.120 20 0 FIADHM COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C)cc3[O-])n2)c1 ZINC000069676284 1122649578 /nfs/dbraw/zinc/64/95/78/1122649578.db2.gz PSJYXRYQSDLXAA-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM CSc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(Cl)cc1Cl ZINC000130701092 1122909064 /nfs/dbraw/zinc/90/90/64/1122909064.db2.gz JHQAIAWNUZZXOW-UHFFFAOYSA-N -1 3 371.171 4.105 20 0 FIADHM CSc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(Cl)cc1Cl ZINC000130701092 1122909066 /nfs/dbraw/zinc/90/90/66/1122909066.db2.gz JHQAIAWNUZZXOW-UHFFFAOYSA-N -1 3 371.171 4.105 20 0 FIADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(Cl)c2ccccc21 ZINC000131514512 1123099727 /nfs/dbraw/zinc/09/97/27/1123099727.db2.gz NYANIUGBROQXJW-UHFFFAOYSA-N -1 3 351.786 4.139 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2csc(-c3ccccc3F)n2)c1[O-] ZINC000556892039 1123179636 /nfs/dbraw/zinc/17/96/36/1123179636.db2.gz GXUWXWMTBZRWHK-UHFFFAOYSA-N -1 3 356.378 4.110 20 0 FIADHM Cc1ccc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)c([O-])c1C ZINC000556968519 1123281461 /nfs/dbraw/zinc/28/14/61/1123281461.db2.gz ZPTGKFWFBMYIGY-UHFFFAOYSA-N -1 3 364.367 4.038 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(-c4cccc(F)n4)nc(=O)c23)c(C)c1 ZINC000155143185 1123288179 /nfs/dbraw/zinc/28/81/79/1123288179.db2.gz ZFEWGUUGNSKYAE-UHFFFAOYSA-N -1 3 351.406 4.470 20 0 FIADHM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132952190 1123390032 /nfs/dbraw/zinc/39/00/32/1123390032.db2.gz CINVEDAHHVGYBK-NSHDSACASA-N -1 3 355.331 4.045 20 0 FIADHM CC(C)Cn1ncc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c1C(C)C ZINC000499284616 1123407849 /nfs/dbraw/zinc/40/78/49/1123407849.db2.gz LIAOSFAAJOOJHL-INIZCTEOSA-N -1 3 363.527 4.208 20 0 FIADHM CC(C)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](c1ccccc1)CC3 ZINC000075078623 1123447957 /nfs/dbraw/zinc/44/79/57/1123447957.db2.gz LVFVFELRWMPEPO-AWEZNQCLSA-N -1 3 354.475 4.182 20 0 FIADHM CCC/C=C\C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000920396069 1123458321 /nfs/dbraw/zinc/45/83/21/1123458321.db2.gz ZIFNGGIQXVNCOE-WAYWQWQTSA-N -1 3 358.463 4.091 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(C(F)(F)F)CC1 ZINC000075212535 1123472911 /nfs/dbraw/zinc/47/29/11/1123472911.db2.gz FFQSIZAAISGEOT-UHFFFAOYSA-N -1 3 363.379 4.398 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000920844110 1123527858 /nfs/dbraw/zinc/52/78/58/1123527858.db2.gz UGTHOLYBVSEELC-JTQLQIEISA-N -1 3 359.294 4.396 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])C(F)(F)c1ccc(F)cc1 ZINC000920853846 1123529565 /nfs/dbraw/zinc/52/95/65/1123529565.db2.gz HLHWWRXABQTVQG-UHFFFAOYSA-N -1 3 360.129 4.024 20 0 FIADHM COc1ccc(-c2cnc(COC(=O)c3cc(Cl)c(Cl)[n-]3)o2)cc1 ZINC000920894240 1123530271 /nfs/dbraw/zinc/53/02/71/1123530271.db2.gz QEUYUQBPEGJESW-UHFFFAOYSA-N -1 3 367.188 4.342 20 0 FIADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cc(F)ccc1F ZINC000079116861 1123856357 /nfs/dbraw/zinc/85/63/57/1123856357.db2.gz YBDXIGXJVMLRLU-UHFFFAOYSA-N -1 3 369.443 4.422 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)s3)s2)cc1 ZINC000136409780 1123892333 /nfs/dbraw/zinc/89/23/33/1123892333.db2.gz FMFZHXFVHQXOIF-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2oc3c(cccc3F)c2C)c([O-])c1 ZINC000610139681 1123944562 /nfs/dbraw/zinc/94/45/62/1123944562.db2.gz DLHMOXVAAJHMFN-UHFFFAOYSA-N -1 3 357.337 4.015 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC[C@@H](C)c3ccccc3)cc2)n1 ZINC000138038683 1124009023 /nfs/dbraw/zinc/00/90/23/1124009023.db2.gz JBILNGOKAQFAPA-OAHLLOKOSA-N -1 3 361.445 4.268 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(F)nc1 ZINC000179937320 1124147368 /nfs/dbraw/zinc/14/73/68/1124147368.db2.gz GLBIIFUXPIFCCW-UHFFFAOYSA-N -1 3 365.389 4.455 20 0 FIADHM O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1cc([O-])ccc1Cl ZINC000616883625 1124403172 /nfs/dbraw/zinc/40/31/72/1124403172.db2.gz NAFUTXKBHTZYIZ-GOSISDBHSA-N -1 3 359.853 4.069 20 0 FIADHM COc1cc(C(=O)N2CCC[C@@H]2c2c(C)cccc2C)cc(OC)c1[O-] ZINC000617177108 1124475934 /nfs/dbraw/zinc/47/59/34/1124475934.db2.gz MITUDVHMIPOTGJ-MRXNPFEDSA-N -1 3 355.434 4.004 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(s1)-c1ccccc1CC2 ZINC000303854224 1124503371 /nfs/dbraw/zinc/50/33/71/1124503371.db2.gz VNQFCPSAKKFXSG-UHFFFAOYSA-N -1 3 353.418 4.288 20 0 FIADHM CC(C)c1cccc(-c2ccc(C([O-])=C(C#N)C(=O)Nc3ccccn3)o2)c1 ZINC000181102247 1124540953 /nfs/dbraw/zinc/54/09/53/1124540953.db2.gz YTIBDBNQZODUFP-KRWDZBQOSA-N -1 3 373.412 4.426 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nc(C(C)(C)C)cs1 ZINC000084937884 1124703392 /nfs/dbraw/zinc/70/33/92/1124703392.db2.gz QROAACHOCAWGBE-LLVKDONJSA-N -1 3 364.492 4.226 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1nc(C(C)(C)C)cs1 ZINC000084937883 1124703544 /nfs/dbraw/zinc/70/35/44/1124703544.db2.gz QROAACHOCAWGBE-NSHDSACASA-N -1 3 364.492 4.226 20 0 FIADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2sccc2COC)cc1 ZINC000181416031 1124912152 /nfs/dbraw/zinc/91/21/52/1124912152.db2.gz LDQCXQTYGWCNET-QGZVFWFLSA-N -1 3 370.474 4.198 20 0 FIADHM CC[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@H]1c1ccccc1 ZINC000253547786 1125250882 /nfs/dbraw/zinc/25/08/82/1125250882.db2.gz HXCAISQIJSKYNT-GDBMZVCRSA-N -1 3 353.491 4.413 20 0 FIADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000672889369 1125346655 /nfs/dbraw/zinc/34/66/55/1125346655.db2.gz CFQRFOMIKKVDQH-UHFFFAOYSA-N -1 3 350.189 4.003 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911501 205295408 /nfs/dbraw/zinc/29/54/08/205295408.db2.gz ACJDVEITLGELPI-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM Cc1occc1C(=O)Nc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1F ZINC000107632866 206020575 /nfs/dbraw/zinc/02/05/75/206020575.db2.gz GKWQBYNLKNUAAE-UHFFFAOYSA-N -1 3 368.364 4.246 20 0 FIADHM CC1CCN(c2ccc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)cn2)CC1 ZINC000186305798 567893313 /nfs/dbraw/zinc/89/33/13/567893313.db2.gz GITFFQUYDZQONQ-INIZCTEOSA-N -1 3 365.477 4.178 20 0 FIADHM Cc1ccc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c([O-])c1C ZINC000051468132 567979642 /nfs/dbraw/zinc/97/96/42/567979642.db2.gz SXHIMYNUXKVLPM-NQIIRXRSSA-N -1 3 353.462 4.249 20 0 FIADHM COC(=O)c1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1Cl ZINC000602757416 568032111 /nfs/dbraw/zinc/03/21/11/568032111.db2.gz LFCDMYKFRMQXSO-UHFFFAOYSA-N -1 3 374.849 4.383 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CSc4ccccc43)nc2)n1 ZINC000522759277 568055346 /nfs/dbraw/zinc/05/53/46/568055346.db2.gz STRFHUCDTMAUFC-OAHLLOKOSA-N -1 3 350.447 4.066 20 0 FIADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000603736833 568152824 /nfs/dbraw/zinc/15/28/24/568152824.db2.gz NDFVKRGOQVDOAG-CQSZACIVSA-N -1 3 364.445 4.273 20 0 FIADHM CC(C)OCc1c2ccccc2oc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000070676309 568160539 /nfs/dbraw/zinc/16/05/39/568160539.db2.gz NGPRGPFJKRTQJN-UHFFFAOYSA-N -1 3 357.435 4.339 20 0 FIADHM O=C(c1ccc(Br)cc1Cl)N1CCCc2cccc([O-])c21 ZINC000063063939 568195042 /nfs/dbraw/zinc/19/50/42/568195042.db2.gz HEMDGIVKYNSVGV-UHFFFAOYSA-N -1 3 366.642 4.401 20 0 FIADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]2CCCC[C@H]12 ZINC000604052927 568206894 /nfs/dbraw/zinc/20/68/94/568206894.db2.gz YIVPCVVDUPOOPJ-IIAWOOMASA-N -1 3 351.450 4.482 20 0 FIADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3csc(C4CC4)n3)s2)c1 ZINC000604263997 568237044 /nfs/dbraw/zinc/23/70/44/568237044.db2.gz MAPPEEZBASIJPO-UHFFFAOYSA-N -1 3 356.476 4.408 20 0 FIADHM Cc1cccc(Oc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cn2)c1C ZINC000604362728 568270337 /nfs/dbraw/zinc/27/03/37/568270337.db2.gz TURRLHLDOFKSCK-UHFFFAOYSA-N -1 3 359.389 4.014 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccccc4)C[C@H]3C)nc2)n1 ZINC000604381235 568286755 /nfs/dbraw/zinc/28/67/55/568286755.db2.gz ZGYRLUMKIVWMHD-CRAIPNDOSA-N -1 3 360.461 4.189 20 0 FIADHM Cc1nc([C@H]2CCOC2)sc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000637057916 568333310 /nfs/dbraw/zinc/33/33/10/568333310.db2.gz SMFUHCLQORDGEE-VIFPVBQESA-N -1 3 372.824 4.448 20 0 FIADHM O=c1nc(COc2ccc(F)c(Cl)c2)[n-]c2sc3c(c21)CCCC3 ZINC000005171857 568380484 /nfs/dbraw/zinc/38/04/84/568380484.db2.gz LPEBCXUNBQLNTA-UHFFFAOYSA-N -1 3 364.829 4.235 20 0 FIADHM Clc1ccc(-c2cc(CSc3n[n-]c(-c4ccccn4)n3)on2)cc1 ZINC000604932685 568395208 /nfs/dbraw/zinc/39/52/08/568395208.db2.gz BCNULTKJQDUPKD-UHFFFAOYSA-N -1 3 369.837 4.467 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1Cl ZINC000605144930 568584056 /nfs/dbraw/zinc/58/40/56/568584056.db2.gz JJDHAUBVDHHUIT-SNVBAGLBSA-N -1 3 361.228 4.326 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(Cl)c1Cl ZINC000605164388 568592911 /nfs/dbraw/zinc/59/29/11/568592911.db2.gz AZZUKBGCTOZFRB-QMMMGPOBSA-N -1 3 366.216 4.311 20 0 FIADHM C[C@H](Nc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1)c1ccccc1 ZINC000050005732 568656532 /nfs/dbraw/zinc/65/65/32/568656532.db2.gz SORKDIGWHUNRHS-AWEZNQCLSA-N -1 3 357.417 4.383 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000094071752 1125557114 /nfs/dbraw/zinc/55/71/14/1125557114.db2.gz XQSWRVOUSVVRPG-IBGZPJMESA-N -1 3 361.445 4.074 20 0 FIADHM O=C([N-]OCc1ccc(F)cc1)Nc1ncc(Cc2ccccc2)s1 ZINC000183066188 1125738948 /nfs/dbraw/zinc/73/89/48/1125738948.db2.gz NADPTFCUYBPYTI-UHFFFAOYSA-N -1 3 357.410 4.126 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1c(F)cc(Br)cc1F ZINC000153546906 1079589399 /nfs/dbraw/zinc/58/93/99/1079589399.db2.gz TZJNUXLCIVFAPW-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000301324483 1079649199 /nfs/dbraw/zinc/64/91/99/1079649199.db2.gz KVNXAFGOSWJTDL-UHFFFAOYSA-N -1 3 374.506 4.023 20 0 FIADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000108941192 1079656112 /nfs/dbraw/zinc/65/61/12/1079656112.db2.gz CAOGOXFKZSCYNA-QGZVFWFLSA-N -1 3 363.417 4.118 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OCC(C)C)cc2)cc1 ZINC000683172274 1079806560 /nfs/dbraw/zinc/80/65/60/1079806560.db2.gz WIVBICIGXDFZFI-HXUWFJFHSA-N -1 3 357.450 4.036 20 0 FIADHM O=C([O-])[C@@H](NCc1coc2ccccc12)c1cccc(Br)c1 ZINC000683175551 1079816881 /nfs/dbraw/zinc/81/68/81/1079816881.db2.gz WXSSFHSTVCHALX-INIZCTEOSA-N -1 3 360.207 4.111 20 0 FIADHM O=C([N-]NC(=O)c1cccc2cccnc21)c1sccc1-c1ccccc1 ZINC000064502005 1079900599 /nfs/dbraw/zinc/90/05/99/1079900599.db2.gz DZQJVPNOSOEXHT-UHFFFAOYSA-N -1 3 373.437 4.038 20 0 FIADHM C[C@@]1(c2ccccc2)CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000510108092 1080037065 /nfs/dbraw/zinc/03/70/65/1080037065.db2.gz ISNQEGWOJJQYTA-HXUWFJFHSA-N -1 3 353.491 4.341 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2csc(-c3ccccc3F)n2)s1 ZINC000109106244 1080048731 /nfs/dbraw/zinc/04/87/31/1080048731.db2.gz JVTOSHJWPLMXPM-UHFFFAOYSA-N -1 3 362.455 4.396 20 0 FIADHM CSc1ccccc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000006465780 1080249274 /nfs/dbraw/zinc/24/92/74/1080249274.db2.gz RFPCONOINMCWKW-SNVBAGLBSA-N -1 3 374.487 4.241 20 0 FIADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2cc(Br)ccc2Cl)C1 ZINC000232780005 1080358321 /nfs/dbraw/zinc/35/83/21/1080358321.db2.gz MHGWUNCAMVZDPJ-OAHLLOKOSA-N -1 3 360.679 4.035 20 0 FIADHM CC(C)[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)Nc1ccccc1 ZINC000471251587 1080585346 /nfs/dbraw/zinc/58/53/46/1080585346.db2.gz HBKBHWHPQGPVPW-LJQANCHMSA-N -1 3 358.457 4.107 20 0 FIADHM COc1cccc(-c2nc(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)cs2)c1 ZINC000652499695 1080834067 /nfs/dbraw/zinc/83/40/67/1080834067.db2.gz IWGLCATWWFJVSZ-HNNXBMFYSA-N -1 3 374.506 4.142 20 0 FIADHM Cc1nc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)sc1C ZINC000683544086 1081066772 /nfs/dbraw/zinc/06/67/72/1081066772.db2.gz LHMZKNZSONKJHU-UHFFFAOYSA-N -1 3 350.856 4.184 20 0 FIADHM Cc1nn(C)cc1[C@@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843546624 1081140477 /nfs/dbraw/zinc/14/04/77/1081140477.db2.gz CAJSXMCGJJNLFD-MRVPVSSYSA-N -1 3 362.207 4.005 20 0 FIADHM O=S(=O)(c1cccc(Nc2cccc(Cl)c2[O-])c1)C(F)(F)F ZINC001210223492 1081200637 /nfs/dbraw/zinc/20/06/37/1081200637.db2.gz QSPSEGSFMPFADA-UHFFFAOYSA-N -1 3 351.733 4.083 20 0 FIADHM O=C([N-]c1cc(-c2cccs2)on1)c1cnc(Oc2ccccc2)cn1 ZINC001648900521 1081359435 /nfs/dbraw/zinc/35/94/35/1081359435.db2.gz ZWZUWAHVXYAUPS-UHFFFAOYSA-N -1 3 364.386 4.238 20 0 FIADHM Cn1nc(Br)c2cccc(Nc3cccc([O-])c3Cl)c21 ZINC001210854667 1081783423 /nfs/dbraw/zinc/78/34/23/1081783423.db2.gz JTGYOAIGZFOVOR-UHFFFAOYSA-N -1 3 352.619 4.438 20 0 FIADHM NC(=O)c1cc(Oc2cccc(Nc3cccc([O-])c3Cl)c2)ccn1 ZINC001210859715 1081788274 /nfs/dbraw/zinc/78/82/74/1081788274.db2.gz LKPDYNVZGVEVPM-UHFFFAOYSA-N -1 3 355.781 4.075 20 0 FIADHM [O-]c1ccc(F)c(CN[C@@H]2CCCc3cc(OC(F)F)ccc32)c1F ZINC000510320656 1081799082 /nfs/dbraw/zinc/79/90/82/1081799082.db2.gz QBVWBHQRLWBRKH-OAHLLOKOSA-N -1 3 355.331 4.439 20 0 FIADHM Cc1cc([C@@H](C)N2CCC(c3ccc4cccnc4n3)CC2)oc1C(=O)[O-] ZINC000656191962 1081895039 /nfs/dbraw/zinc/89/50/39/1081895039.db2.gz UKLZIOCPUWOHMH-CQSZACIVSA-N -1 3 365.433 4.170 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000580399179 1081924217 /nfs/dbraw/zinc/92/42/17/1081924217.db2.gz HPALHGNKWOHGLJ-CYBMUJFWSA-N -1 3 353.846 4.373 20 0 FIADHM CCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](CC)c1ccccc1 ZINC000580961417 1082253256 /nfs/dbraw/zinc/25/32/56/1082253256.db2.gz SAHVTOZDFCFFNA-GOSISDBHSA-N -1 3 353.466 4.453 20 0 FIADHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1cnc(-c2cccnc2)s1 ZINC000684158721 1082367891 /nfs/dbraw/zinc/36/78/91/1082367891.db2.gz CUNKUJLEBVOPCA-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000581255781 1082411891 /nfs/dbraw/zinc/41/18/91/1082411891.db2.gz IIQOABPKLBEESQ-SJCJKPOMSA-N -1 3 351.780 4.233 20 0 FIADHM N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000188231962 1082424597 /nfs/dbraw/zinc/42/45/97/1082424597.db2.gz WWHDWLYVOIXPDW-LJQBUTKESA-N -1 3 352.821 4.316 20 0 FIADHM CCc1ccc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000276177949 1082542364 /nfs/dbraw/zinc/54/23/64/1082542364.db2.gz GIAWJPJCBVCCAQ-FXAWDEMLSA-N -1 3 357.425 4.086 20 0 FIADHM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc([O-])ccc1Cl ZINC000558544735 1082562901 /nfs/dbraw/zinc/56/29/01/1082562901.db2.gz GTWWSEDTKLGOIG-JTQLQIEISA-N -1 3 368.658 4.169 20 0 FIADHM Cc1c([O-])ccc2c(CN3CCc4cccc(F)c4[C@@H]3C)cc(=O)oc12 ZINC001167473033 1082694447 /nfs/dbraw/zinc/69/44/47/1082694447.db2.gz FDLLODLAEPVBFF-ZDUSSCGKSA-N -1 3 353.393 4.065 20 0 FIADHM CCCN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1F ZINC000656764739 1082756485 /nfs/dbraw/zinc/75/64/85/1082756485.db2.gz DYJNVYUJUDSIPJ-UHFFFAOYSA-N -1 3 365.832 4.468 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000328811766 1082838578 /nfs/dbraw/zinc/83/85/78/1082838578.db2.gz ORDSMLNUJKHSLY-SUMWQHHRSA-N -1 3 354.454 4.200 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1F ZINC000467080967 1082847882 /nfs/dbraw/zinc/84/78/82/1082847882.db2.gz JLVDOOKYWMWBFD-UHFFFAOYSA-N -1 3 367.442 4.060 20 0 FIADHM CC[C@@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1ccc(F)cc1F ZINC000161022848 1082887886 /nfs/dbraw/zinc/88/78/86/1082887886.db2.gz JDXCIFMXBDRPOS-QGZVFWFLSA-N -1 3 359.372 4.326 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)c(Br)cc1F)c1ccccc1 ZINC000707453522 1083035181 /nfs/dbraw/zinc/03/51/81/1083035181.db2.gz BFCMWDLJUSURPC-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM COc1cccc(Cc2nnc([N-]C(=O)c3sccc3Cl)s2)c1 ZINC000510663836 1083227344 /nfs/dbraw/zinc/22/73/44/1083227344.db2.gz GQMPLEKIQLKPOH-UHFFFAOYSA-N -1 3 365.867 4.105 20 0 FIADHM CCOc1ccc(Nc2ncccc2C(=O)Nc2cccc([O-])c2F)cc1 ZINC000535659199 1083316646 /nfs/dbraw/zinc/31/66/46/1083316646.db2.gz NMLKWUZYMYVQAN-UHFFFAOYSA-N -1 3 367.380 4.321 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2nn(-c3ccccc3)cc2C)c(F)c1F ZINC000472361091 1083379841 /nfs/dbraw/zinc/37/98/41/1083379841.db2.gz LZXDVNCYORVREK-UHFFFAOYSA-N -1 3 373.334 4.053 20 0 FIADHM CCc1c([N-]S(=O)(=O)Cc2cccc(Cl)c2)cnn1C(CC)CC ZINC000569939430 1083784299 /nfs/dbraw/zinc/78/42/99/1083784299.db2.gz AQYKPRDVDLPPOI-UHFFFAOYSA-N -1 3 369.918 4.402 20 0 FIADHM O=C(CCc1cnc2ccccc2c1)Nc1cc(Br)ccc1[O-] ZINC000472442255 1083919503 /nfs/dbraw/zinc/91/95/03/1083919503.db2.gz KOYQFHNHIUKFNW-UHFFFAOYSA-N -1 3 371.234 4.274 20 0 FIADHM O=S(=O)([N-]C(CCC(F)(F)F)CCC(F)(F)F)c1ccsc1 ZINC000657187542 1083922045 /nfs/dbraw/zinc/92/20/45/1083922045.db2.gz OWWOCUXSRWQQDG-UHFFFAOYSA-N -1 3 369.352 4.080 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(F)cc2OC2CCCC2)cc1[O-] ZINC000612668279 1083977864 /nfs/dbraw/zinc/97/78/64/1083977864.db2.gz NIHOXGRKCKHXLR-UHFFFAOYSA-N -1 3 357.381 4.308 20 0 FIADHM CC[C@H](CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)CC(F)F ZINC000657225164 1083989214 /nfs/dbraw/zinc/98/92/14/1083989214.db2.gz XNYHDEMEEBQKCF-NSHDSACASA-N -1 3 364.421 4.295 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000612861487 1084158166 /nfs/dbraw/zinc/15/81/66/1084158166.db2.gz YFJQWCGYVXTDTQ-LBPRGKRZSA-N -1 3 363.866 4.061 20 0 FIADHM O=c1nc(COc2ccc(F)c(Cl)c2)[n-]c2sc3c(c21)CCC3 ZINC000612870251 1084164872 /nfs/dbraw/zinc/16/48/72/1084164872.db2.gz HZQWHEQCJYUUJM-UHFFFAOYSA-N -1 3 350.802 4.257 20 0 FIADHM O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000892049656 1084173852 /nfs/dbraw/zinc/17/38/52/1084173852.db2.gz LBJLGCHRFKBSQY-UHFFFAOYSA-N -1 3 367.342 4.044 20 0 FIADHM O=C([N-]c1ccc(OC(F)(F)F)cc1Cl)c1ocnc1C(F)(F)F ZINC001167510047 1084336676 /nfs/dbraw/zinc/33/66/76/1084336676.db2.gz VDGMXYDRCITXEP-UHFFFAOYSA-N -1 3 374.624 4.498 20 0 FIADHM O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc([O-])ccc1Cl ZINC000431753511 1084411662 /nfs/dbraw/zinc/41/16/62/1084411662.db2.gz OCNQJQLNZVBRLW-UHFFFAOYSA-N -1 3 372.852 4.104 20 0 FIADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H](C)CCCC(=O)[O-] ZINC000277401667 1084412670 /nfs/dbraw/zinc/41/26/70/1084412670.db2.gz RXWPDULJIORZJE-CQSZACIVSA-N -1 3 363.889 4.382 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N(Cc1ccccc1)CC1CCOCC1 ZINC000431796597 1084575365 /nfs/dbraw/zinc/57/53/65/1084575365.db2.gz UYAYLNAEKBEBRJ-UHFFFAOYSA-N -1 3 359.853 4.115 20 0 FIADHM [O-]c1cccc(CN2CC[C@@H](c3cccc(F)c3)C2)c1Br ZINC001140550071 1084581778 /nfs/dbraw/zinc/58/17/78/1084581778.db2.gz CVKKPNUKHYTBEN-CYBMUJFWSA-N -1 3 350.231 4.283 20 0 FIADHM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000431801215 1084602405 /nfs/dbraw/zinc/60/24/05/1084602405.db2.gz NVONWNHIVMZNOV-GOSISDBHSA-N -1 3 369.852 4.393 20 0 FIADHM O=C(NCCOc1cccc(Cl)c1Cl)c1cc([O-])ccc1Cl ZINC000582092107 1084602526 /nfs/dbraw/zinc/60/25/26/1084602526.db2.gz AEQKSXHMJKZYNM-UHFFFAOYSA-N -1 3 360.624 4.161 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(CC3CCC3)C(C)C)cc2)cc(=O)[n-]1 ZINC000582100535 1084639304 /nfs/dbraw/zinc/63/93/04/1084639304.db2.gz HIRJECVBBFHCSA-UHFFFAOYSA-N -1 3 354.454 4.200 20 0 FIADHM COCc1c(Br)cccc1NC(=O)c1cc([O-])ccc1Cl ZINC000582195000 1084756319 /nfs/dbraw/zinc/75/63/19/1084756319.db2.gz JLYRIUSGCXIEQX-UHFFFAOYSA-N -1 3 370.630 4.207 20 0 FIADHM Cc1cccc(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c1 ZINC000170728807 1084863021 /nfs/dbraw/zinc/86/30/21/1084863021.db2.gz QGBXIMDCKQPXAA-UHFFFAOYSA-N -1 3 351.431 4.189 20 0 FIADHM Cc1cc(OCc2ccccc2)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000160473253 1084908949 /nfs/dbraw/zinc/90/89/49/1084908949.db2.gz TWSISDAWSWBUAX-IBGZPJMESA-N -1 3 356.422 4.154 20 0 FIADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000160473253 1084908954 /nfs/dbraw/zinc/90/89/54/1084908954.db2.gz TWSISDAWSWBUAX-IBGZPJMESA-N -1 3 356.422 4.154 20 0 FIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000170842810 1084920104 /nfs/dbraw/zinc/92/01/04/1084920104.db2.gz YEOMBYLPCHTKBO-UHFFFAOYSA-N -1 3 362.867 4.228 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@]3(C)CCc4ccccc43)c2)n1 ZINC000648247163 1085014542 /nfs/dbraw/zinc/01/45/42/1085014542.db2.gz WRCCFWVJYVKRAA-QHCPKHFHSA-N -1 3 373.456 4.254 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nc(Cl)sc3C)c2)n1 ZINC000376426637 1085068359 /nfs/dbraw/zinc/06/83/59/1085068359.db2.gz HWVBTTDICTVVIF-UHFFFAOYSA-N -1 3 374.853 4.082 20 0 FIADHM CC[C@H](c1nnc(S[C@H](C)c2nc(C)cc(=O)[n-]2)o1)c1ccccc1 ZINC000159156417 1085097936 /nfs/dbraw/zinc/09/79/36/1085097936.db2.gz XLXDALMQZBQZOU-OCCSQVGLSA-N -1 3 356.451 4.269 20 0 FIADHM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C(C[C@H]1CCCO1)C(F)(F)F ZINC000651629112 1085259447 /nfs/dbraw/zinc/25/94/47/1085259447.db2.gz JMAUASMJEWTZHO-RKDXNWHRSA-N -1 3 372.170 4.385 20 0 FIADHM Cc1cc2oc(=O)cc(COC(=O)c3cc(Cl)c(Cl)[n-]3)c2cc1C ZINC000011809660 1085536287 /nfs/dbraw/zinc/53/62/87/1085536287.db2.gz UBNQGMGSYKJLCO-UHFFFAOYSA-N -1 3 366.200 4.402 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000584312947 1085808424 /nfs/dbraw/zinc/80/84/24/1085808424.db2.gz WZCLOEWZBRKBCF-FQEVSTJZSA-N -1 3 367.832 4.413 20 0 FIADHM CCc1ccc([C@@H]2CCN(c3ccc(-c4nc(CC)cc(=O)[n-]4)cn3)C2)cc1 ZINC000431496858 1085811853 /nfs/dbraw/zinc/81/18/53/1085811853.db2.gz VMZOKWRSPPSTPT-LJQANCHMSA-N -1 3 374.488 4.363 20 0 FIADHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc2c(cc1[O-])CCCC2 ZINC001143518794 1085894838 /nfs/dbraw/zinc/89/48/38/1085894838.db2.gz RBNXLJSBZAGPSD-UHFFFAOYSA-N -1 3 367.836 4.362 20 0 FIADHM C[C@@H](c1ccc(Cl)c(Cl)c1)[S@@](=O)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000560889208 1085920725 /nfs/dbraw/zinc/92/07/25/1085920725.db2.gz VQHKILRTTMKERJ-KLVQOETNSA-N -1 3 371.289 4.376 20 0 FIADHM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)c1 ZINC000431513761 1086004905 /nfs/dbraw/zinc/00/49/05/1086004905.db2.gz WAOFFAGYSCGLDK-QGZVFWFLSA-N -1 3 361.825 4.040 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000652416468 1086024681 /nfs/dbraw/zinc/02/46/81/1086024681.db2.gz HOPNASDZAPYFBT-CVEARBPZSA-N -1 3 358.265 4.010 20 0 FIADHM CCN(Cc1c(Cl)cccc1C(=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000652434074 1086038804 /nfs/dbraw/zinc/03/88/04/1086038804.db2.gz PWCVIIRXXOVIKE-INIZCTEOSA-N -1 3 361.869 4.118 20 0 FIADHM Cc1cc([C@H](C)N2CCC(OCc3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000652434715 1086043119 /nfs/dbraw/zinc/04/31/19/1086043119.db2.gz DWMODNVJDNONHB-AWEZNQCLSA-N -1 3 361.413 4.168 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1cc(Cl)ccc1Cl ZINC000511953858 1086050566 /nfs/dbraw/zinc/05/05/66/1086050566.db2.gz HVVACAKOCACHJK-AWEZNQCLSA-N -1 3 360.237 4.098 20 0 FIADHM O=C([O-])[C@H]1CN(CCCc2ccccc2Br)Cc2ccccc21 ZINC000652470216 1086088531 /nfs/dbraw/zinc/08/85/31/1086088531.db2.gz QWRYDDCGEWEVSL-KRWDZBQOSA-N -1 3 374.278 4.066 20 0 FIADHM COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([O-])c(F)c2)cc1 ZINC000535920490 1086115262 /nfs/dbraw/zinc/11/52/62/1086115262.db2.gz SQSXARWSIOYQKU-HXUWFJFHSA-N -1 3 364.376 4.311 20 0 FIADHM C[C@@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CCc2ccc(F)cc21 ZINC000652510664 1086139727 /nfs/dbraw/zinc/13/97/27/1086139727.db2.gz HKMLIGPQZMYKEN-ADLMAVQZSA-N -1 3 365.807 4.406 20 0 FIADHM O=C([O-])CC[C@@H]1CCCCN1Cc1oc2ccccc2c1Br ZINC000662213577 1086341454 /nfs/dbraw/zinc/34/14/54/1086341454.db2.gz ANXFZYNHTDPVSR-LBPRGKRZSA-N -1 3 366.255 4.415 20 0 FIADHM Cc1ccc(NC(=O)Cc2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000184828053 1086362075 /nfs/dbraw/zinc/36/20/75/1086362075.db2.gz LQQIMRUNYWQFML-UHFFFAOYSA-N -1 3 359.385 4.085 20 0 FIADHM Cc1nc(C(C)(C)[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)sc1C ZINC001126221016 1086391955 /nfs/dbraw/zinc/39/19/55/1086391955.db2.gz VXSGWDNBUZAXDF-UHFFFAOYSA-N -1 3 373.856 4.260 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cc(Cl)c(Cl)c(Cl)c1 ZINC000583266261 1086495752 /nfs/dbraw/zinc/49/57/52/1086495752.db2.gz FFVUIARHLOIZDZ-ZETCQYMHSA-N -1 3 361.534 4.024 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(C)(C)C)s3)cc2)n1 ZINC000150864634 1086502164 /nfs/dbraw/zinc/50/21/64/1086502164.db2.gz JFBSERBCXXLLLA-UHFFFAOYSA-N -1 3 367.474 4.357 20 0 FIADHM O=c1nc(CN2CC[C@@H](C(F)(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000663435059 1086541848 /nfs/dbraw/zinc/54/18/48/1086541848.db2.gz BOGQCJJPXHWDHN-SECBINFHSA-N -1 3 369.368 4.041 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c1[O-] ZINC000583323791 1086561604 /nfs/dbraw/zinc/56/16/04/1086561604.db2.gz CABINTDQASGDRB-UHFFFAOYSA-N -1 3 374.462 4.202 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(N(C)C(C)C)c3)c[n-]c12 ZINC000151074455 1086873957 /nfs/dbraw/zinc/87/39/57/1086873957.db2.gz MZMJSBWJNPOXNL-UHFFFAOYSA-N -1 3 367.424 4.073 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCC(F)(F)F)c2)n1 ZINC000536126027 1086958031 /nfs/dbraw/zinc/95/80/31/1086958031.db2.gz SSPCSZKEPQYCAO-UHFFFAOYSA-N -1 3 353.344 4.083 20 0 FIADHM C[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(F)c1 ZINC000151594811 1087167584 /nfs/dbraw/zinc/16/75/84/1087167584.db2.gz YNOZUGRSSUMVDQ-NSHDSACASA-N -1 3 366.230 4.104 20 0 FIADHM COCC[C@H](C)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000088305946 1087374789 /nfs/dbraw/zinc/37/47/89/1087374789.db2.gz LPDHPIOHYYWZPG-WDEREUQCSA-N -1 3 364.492 4.464 20 0 FIADHM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000092526196 1087445672 /nfs/dbraw/zinc/44/56/72/1087445672.db2.gz AEYYXWFMQUQXCE-WCQYABFASA-N -1 3 354.431 4.032 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ncccc1C(F)(F)F ZINC000092526665 1087445880 /nfs/dbraw/zinc/44/58/80/1087445880.db2.gz XELACNJFPLQQKP-UHFFFAOYSA-N -1 3 350.218 4.077 20 0 FIADHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(Br)c2)s1 ZINC000650807915 1087591361 /nfs/dbraw/zinc/59/13/61/1087591361.db2.gz LNNJYAPCYKIFOX-CQSZACIVSA-N -1 3 368.296 4.473 20 0 FIADHM CO[C@@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CC1 ZINC000424124542 1087778978 /nfs/dbraw/zinc/77/89/78/1087778978.db2.gz MCJRKYVXGLMTMH-ZDUSSCGKSA-N -1 3 362.476 4.315 20 0 FIADHM CC(C)CNC(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1Cl ZINC000685916363 1087915780 /nfs/dbraw/zinc/91/57/80/1087915780.db2.gz UUQBIOYAYIODJP-UHFFFAOYSA-N -1 3 368.811 4.322 20 0 FIADHM CC[C@](C)(NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1nc(C)cs1 ZINC000623018946 1088489882 /nfs/dbraw/zinc/48/98/82/1088489882.db2.gz ASEFDPRCPAYKAF-HNNXBMFYSA-N -1 3 358.385 4.231 20 0 FIADHM C[C@H](Oc1ccccc1NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000188022170 1088624186 /nfs/dbraw/zinc/62/41/86/1088624186.db2.gz OKFNUQLPRGHKGU-AWEZNQCLSA-N -1 3 358.401 4.350 20 0 FIADHM CCN(Cc1ccc(Br)cc1)Cc1ccc([O-])c(F)c1F ZINC001140893690 1088665720 /nfs/dbraw/zinc/66/57/20/1088665720.db2.gz YRIWAYWWYBYRQW-UHFFFAOYSA-N -1 3 356.210 4.455 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(OC(F)F)cc2)no1)c1ccccc1Cl ZINC001211646910 1088747089 /nfs/dbraw/zinc/74/70/89/1088747089.db2.gz CBYGLJNFBHYSNI-UHFFFAOYSA-N -1 3 364.735 4.417 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(F)c(F)c2F)no1)c1ccccc1Cl ZINC001211646923 1088747827 /nfs/dbraw/zinc/74/78/27/1088747827.db2.gz CSKYZUIDHMUGBC-UHFFFAOYSA-N -1 3 352.699 4.233 20 0 FIADHM CCN1CCc2ccc(-c3noc(C=C([O-])c4ccccc4Cl)n3)cc21 ZINC001211647372 1088763961 /nfs/dbraw/zinc/76/39/61/1088763961.db2.gz MFEDTUDLJLBXHG-UHFFFAOYSA-N -1 3 367.836 4.198 20 0 FIADHM Cc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182874489 1088953000 /nfs/dbraw/zinc/95/30/00/1088953000.db2.gz ZTTCJKMUQCZIFB-OAQYLSRUSA-N -1 3 374.440 4.201 20 0 FIADHM CCCOc1cc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)ccc1OC ZINC000435336889 1089544867 /nfs/dbraw/zinc/54/48/67/1089544867.db2.gz RONGOAFLCAAGBP-VBKFSLOCSA-N -1 3 356.466 4.470 20 0 FIADHM C[C@H](CN(C)Cn1c(Cc2cccs2)n[n-]c1=S)c1ccccc1 ZINC000066795397 1089578015 /nfs/dbraw/zinc/57/80/15/1089578015.db2.gz MLMKJDMDADBYPQ-CQSZACIVSA-N -1 3 358.536 4.286 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3coc(C4CCCCC4)n3)n[nH]2)cc1 ZINC000515154840 1089831427 /nfs/dbraw/zinc/83/14/27/1089831427.db2.gz ZOPMHASFYXMDJH-UHFFFAOYSA-N -1 3 351.410 4.068 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3noc4cc(F)ccc43)CC2)c([O-])c1 ZINC000378019832 1090015288 /nfs/dbraw/zinc/01/52/88/1090015288.db2.gz XORUKKMMEZASFM-UHFFFAOYSA-N -1 3 354.381 4.001 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000378037113 1090030093 /nfs/dbraw/zinc/03/00/93/1090030093.db2.gz FJTYAGJULHAHDI-DEOSSOPVSA-N -1 3 372.468 4.038 20 0 FIADHM O=C(N1CCCc2c(=O)[n-]cnc21)C1(c2cccc(Cl)c2)CCCCC1 ZINC000893213804 1090317780 /nfs/dbraw/zinc/31/77/80/1090317780.db2.gz ZTVGONDEZWNZER-UHFFFAOYSA-N -1 3 371.868 4.017 20 0 FIADHM COc1ccc(N[C@H]2CC[C@H](C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000182731141 1090369873 /nfs/dbraw/zinc/36/98/73/1090369873.db2.gz PZLAHJJZPAXMPM-GUYCJALGSA-N -1 3 360.479 4.117 20 0 FIADHM COc1ccc(N[C@H](C)c2ccc(C(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000182733580 1090370660 /nfs/dbraw/zinc/37/06/60/1090370660.db2.gz JJOMRAMENUFEFN-CQSZACIVSA-N -1 3 362.495 4.363 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)nc1 ZINC000016147495 1090469090 /nfs/dbraw/zinc/46/90/90/1090469090.db2.gz IOWQRXTVINNYNF-UHFFFAOYSA-N -1 3 372.060 4.496 20 0 FIADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1c(Cl)cc(F)cc1Cl ZINC000431897263 1090480146 /nfs/dbraw/zinc/48/01/46/1090480146.db2.gz ZMFJQJKDXPGIKI-UHFFFAOYSA-N -1 3 374.146 4.341 20 0 FIADHM CC(C)(CCNCc1c(F)cccc1OC(F)(F)F)CCC(=O)[O-] ZINC000417556493 1090924441 /nfs/dbraw/zinc/92/44/41/1090924441.db2.gz GXJNJQFGPPOKEB-UHFFFAOYSA-N -1 3 351.340 4.095 20 0 FIADHM Cc1cc(C)cc(C[C@@H](NCc2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000417564611 1090928353 /nfs/dbraw/zinc/92/83/53/1090928353.db2.gz FVRFHHBJZVXBRR-CYBMUJFWSA-N -1 3 358.290 4.457 20 0 FIADHM CCCc1csc(CN[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])n1 ZINC000417567603 1090929770 /nfs/dbraw/zinc/92/97/70/1090929770.db2.gz SPCBGOBGSDCSAS-AWEZNQCLSA-N -1 3 373.305 4.188 20 0 FIADHM C[S@@](=O)c1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000417577600 1090930316 /nfs/dbraw/zinc/93/03/16/1090930316.db2.gz WWNRWUOZTBAZNR-NIYFSFCBSA-N -1 3 373.518 4.027 20 0 FIADHM CCO[C@@H]1C[C@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1(CC)CC ZINC000584844621 1090940868 /nfs/dbraw/zinc/94/08/68/1090940868.db2.gz GPSPBNPCUZXOQY-JKSUJKDBSA-N -1 3 353.890 4.454 20 0 FIADHM O=C([O-])[C@H]1C=C[C@@H](NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000417626511 1090948078 /nfs/dbraw/zinc/94/80/78/1090948078.db2.gz SYOHGGUEEXBWRU-GXTWGEPZSA-N -1 3 351.324 4.084 20 0 FIADHM O=C([O-])[C@@H]1C=C[C@H](NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000417626513 1090948218 /nfs/dbraw/zinc/94/82/18/1090948218.db2.gz SYOHGGUEEXBWRU-OCCSQVGLSA-N -1 3 351.324 4.084 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000092603927 1091027369 /nfs/dbraw/zinc/02/73/69/1091027369.db2.gz QRJXEHBRYYKADV-QFBILLFUSA-N -1 3 357.450 4.056 20 0 FIADHM [O-]c1ccc(F)c(CNc2cnn(-c3ncc(Cl)cc3Cl)c2)c1F ZINC000512200194 1091902040 /nfs/dbraw/zinc/90/20/40/1091902040.db2.gz WSUZRODLPKIESJ-UHFFFAOYSA-N -1 3 371.174 4.170 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3CCCC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000512235584 1091945241 /nfs/dbraw/zinc/94/52/41/1091945241.db2.gz YAJKWSKVQZCSJN-HOCLYGCPSA-N -1 3 368.481 4.496 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432611964 1091998316 /nfs/dbraw/zinc/99/83/16/1091998316.db2.gz OHNLPXYONLKSGA-ZDUSSCGKSA-N -1 3 371.487 4.329 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1F ZINC000512350002 1092105391 /nfs/dbraw/zinc/10/53/91/1092105391.db2.gz FEHBHOVFLFMNHW-INIZCTEOSA-N -1 3 373.321 4.263 20 0 FIADHM O=c1ccnc(C(=Cc2nccn2Cc2ccccc2)Cc2ccccc2)[n-]1 ZINC000432704724 1092160786 /nfs/dbraw/zinc/16/07/86/1092160786.db2.gz HENGHOIRAZLLFJ-CAPFRKAQSA-N -1 3 368.440 4.210 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(OC(F)F)c(F)c2)Cc2ccccc2)[n-]1 ZINC000432709325 1092168350 /nfs/dbraw/zinc/16/83/50/1092168350.db2.gz JVXTYMXBNXMUJO-PTNGSMBKSA-N -1 3 372.346 4.294 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1csc(C(F)(F)F)n1 ZINC000500536524 1092199887 /nfs/dbraw/zinc/19/98/87/1092199887.db2.gz KBWGYJRHTRHVJP-UHFFFAOYSA-N -1 3 356.247 4.139 20 0 FIADHM O=C(Cc1cccnc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093854 1092265769 /nfs/dbraw/zinc/26/57/69/1092265769.db2.gz QBYPAYZJIMTZLN-UHFFFAOYSA-N -1 3 361.426 4.245 20 0 FIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1 ZINC000432777093 1092326210 /nfs/dbraw/zinc/32/62/10/1092326210.db2.gz STASRDUHGKZCKR-UHFFFAOYSA-N -1 3 373.503 4.041 20 0 FIADHM CC[C@@H](c1ccc(Cl)cc1Cl)N1CCC(COC)(C(=O)[O-])CC1 ZINC000565425101 1092345916 /nfs/dbraw/zinc/34/59/16/1092345916.db2.gz DLOHFYYAQPDFPP-HNNXBMFYSA-N -1 3 360.281 4.258 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)o1 ZINC000432782917 1092352962 /nfs/dbraw/zinc/35/29/62/1092352962.db2.gz ZJIMXBAAQRWKNI-UHFFFAOYSA-N -1 3 356.451 4.323 20 0 FIADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442240910 1092518535 /nfs/dbraw/zinc/51/85/35/1092518535.db2.gz JEGORWYUYIANIV-UHFFFAOYSA-N -1 3 359.781 4.012 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(Oc2ccccc2F)CC1 ZINC000442638074 1092698606 /nfs/dbraw/zinc/69/86/06/1092698606.db2.gz QXMFTPJKIYPNIR-UHFFFAOYSA-N -1 3 355.287 4.100 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(F)c(Cl)c1F ZINC000544815003 1092739361 /nfs/dbraw/zinc/73/93/61/1092739361.db2.gz RQQBXNXJSHGHRV-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM O=C(NCc1ncccc1[O-])c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442817389 1092787511 /nfs/dbraw/zinc/78/75/11/1092787511.db2.gz ZQHIQZLODZVWDM-UHFFFAOYSA-N -1 3 362.216 4.019 20 0 FIADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)o1 ZINC000521916461 1092978382 /nfs/dbraw/zinc/97/83/82/1092978382.db2.gz BSRVHAFFJHERRN-IUODEOHRSA-N -1 3 374.487 4.005 20 0 FIADHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)c1cccc(O)c1 ZINC000443189492 1092981249 /nfs/dbraw/zinc/98/12/49/1092981249.db2.gz BTBYPAGWMPVFPK-NSHDSACASA-N -1 3 365.838 4.140 20 0 FIADHM Cc1cccc(Oc2ccccc2C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000443231444 1092999932 /nfs/dbraw/zinc/99/99/32/1092999932.db2.gz MYKMBKHOACLSAR-IBGZPJMESA-N -1 3 363.417 4.036 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)cc1C(C)C ZINC000432972060 1093034212 /nfs/dbraw/zinc/03/42/12/1093034212.db2.gz PWRFPGVBOFOUOF-UHFFFAOYSA-N -1 3 373.478 4.113 20 0 FIADHM Cc1ccc(Oc2ccc(NC(=O)c3[n-]cnc3C(F)(F)F)cn2)cc1 ZINC001625934464 1093099538 /nfs/dbraw/zinc/09/95/38/1093099538.db2.gz QVTGKWRUTVBHDT-UHFFFAOYSA-N -1 3 362.311 4.177 20 0 FIADHM Cc1ccc(Oc2ccc(NC(=O)c3nc[n-]c3C(F)(F)F)cn2)cc1 ZINC001625934464 1093099544 /nfs/dbraw/zinc/09/95/44/1093099544.db2.gz QVTGKWRUTVBHDT-UHFFFAOYSA-N -1 3 362.311 4.177 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000443415979 1093112053 /nfs/dbraw/zinc/11/20/53/1093112053.db2.gz JBHZPNAOKPOENO-UHFFFAOYSA-N -1 3 352.887 4.132 20 0 FIADHM CCc1cc2c(CN[C@H](C)c3cccc(F)c3F)cc(=O)oc2cc1[O-] ZINC000159529142 1093218774 /nfs/dbraw/zinc/21/87/74/1093218774.db2.gz IVXYMLYLZDFHTB-LLVKDONJSA-N -1 3 359.372 4.190 20 0 FIADHM CCSc1ccccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000522260057 1093249753 /nfs/dbraw/zinc/24/97/53/1093249753.db2.gz QHFSEPWIBZIHDT-UHFFFAOYSA-N -1 3 365.458 4.110 20 0 FIADHM C[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000443624603 1093345748 /nfs/dbraw/zinc/34/57/48/1093345748.db2.gz IKPDVFLZYFKKTJ-LLVKDONJSA-N -1 3 370.346 4.153 20 0 FIADHM CC(C)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Cl ZINC000522340712 1093350944 /nfs/dbraw/zinc/35/09/44/1093350944.db2.gz XQYCDWXNIMKDFY-LJQANCHMSA-N -1 3 354.837 4.309 20 0 FIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000433169697 1093360881 /nfs/dbraw/zinc/36/08/81/1093360881.db2.gz YFOJRPSFCKJXNI-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM Cc1c(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)oc2ccccc12 ZINC000522368553 1093419618 /nfs/dbraw/zinc/41/96/18/1093419618.db2.gz UHYQVHKEKPRBSC-UHFFFAOYSA-N -1 3 353.802 4.012 20 0 FIADHM O=C([N-]c1ncc(Cc2ccccc2)s1)c1noc(-c2ccccc2)n1 ZINC000433314391 1093567225 /nfs/dbraw/zinc/56/72/25/1093567225.db2.gz ZJRXUNNPMWXZLO-UHFFFAOYSA-N -1 3 362.414 4.036 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)n1 ZINC000469805185 1093603932 /nfs/dbraw/zinc/60/39/32/1093603932.db2.gz XVUKDYPZYFYSOY-VIFPVBQESA-N -1 3 366.368 4.306 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)c4ccccc43)cc2)cc(=O)[n-]1 ZINC000509860203 1093615627 /nfs/dbraw/zinc/61/56/27/1093615627.db2.gz POZODTAFTISJSD-CYBMUJFWSA-N -1 3 360.417 4.313 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000452747799 1093644294 /nfs/dbraw/zinc/64/42/94/1093644294.db2.gz ITIXZRXSSXXPQE-DTWKUNHWSA-N -1 3 366.177 4.380 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000433386644 1093664263 /nfs/dbraw/zinc/66/42/63/1093664263.db2.gz DTCDLVPVBLEZKU-NSHDSACASA-N -1 3 369.284 4.158 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000509898717 1093694040 /nfs/dbraw/zinc/69/40/40/1093694040.db2.gz MKCPXBPSKKLDAV-SCLBCKFNSA-N -1 3 354.454 4.200 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000614346309 1093699093 /nfs/dbraw/zinc/69/90/93/1093699093.db2.gz BYKZLTOZXWHHJI-UHFFFAOYSA-N -1 3 374.506 4.479 20 0 FIADHM CCC[C@@H](C)NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210263 1094314909 /nfs/dbraw/zinc/31/49/09/1094314909.db2.gz XXIBEDJCBSFKNZ-GHMZBOCLSA-N -1 3 368.503 4.206 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccccc1Br ZINC000102748761 1094674272 /nfs/dbraw/zinc/67/42/72/1094674272.db2.gz MUWOLWVZOUXWRE-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(Cl)cc1C(F)(F)F ZINC000474862547 1094801133 /nfs/dbraw/zinc/80/11/33/1094801133.db2.gz WXOSYYQLRGNGKN-UHFFFAOYSA-N -1 3 365.742 4.423 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC=C(c3cccc4ccccc43)C2)c1 ZINC000501627138 1094813214 /nfs/dbraw/zinc/81/32/14/1094813214.db2.gz SDOICFYEPKFABZ-UHFFFAOYSA-N -1 3 372.424 4.043 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)c(C)c1 ZINC000501859796 1094984888 /nfs/dbraw/zinc/98/48/88/1094984888.db2.gz YDKFUAJCZMSIAG-UHFFFAOYSA-N -1 3 363.479 4.292 20 0 FIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000469162263 1095078933 /nfs/dbraw/zinc/07/89/33/1095078933.db2.gz ZUHNZCYUBOVKGU-HNNXBMFYSA-N -1 3 359.441 4.472 20 0 FIADHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752630 1095310621 /nfs/dbraw/zinc/31/06/21/1095310621.db2.gz HHJLIFBGBOUBRM-WDEREUQCSA-N -1 3 369.248 4.053 20 0 FIADHM COc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)cc1F ZINC000502699393 1095722108 /nfs/dbraw/zinc/72/21/08/1095722108.db2.gz RNZFGBUQOZXWCX-UHFFFAOYSA-N -1 3 353.382 4.040 20 0 FIADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C)cc3)nc(=O)c2c1C ZINC000007488922 1095901009 /nfs/dbraw/zinc/90/10/09/1095901009.db2.gz LVZOZBBCPQXOEF-WQLSENKSSA-N -1 3 374.849 4.125 20 0 FIADHM CC[C@H]1c2ccsc2CCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000894264991 1095978736 /nfs/dbraw/zinc/97/87/36/1095978736.db2.gz QIYJTUGHHDOJMO-INIZCTEOSA-N -1 3 374.412 4.017 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3cc(F)cc4n[n-]nc43)sc2C)s1 ZINC000503289070 1096345056 /nfs/dbraw/zinc/34/50/56/1096345056.db2.gz YKGQWGKKULCEQN-UHFFFAOYSA-N -1 3 373.438 4.151 20 0 FIADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1nccc2occc21 ZINC001269506127 1096679188 /nfs/dbraw/zinc/67/91/88/1096679188.db2.gz NSAKUZNKDSDQON-UHFFFAOYSA-N -1 3 374.784 4.391 20 0 FIADHM Cn1cc(CCNC(=O)c2cc([O-])ccc2Cl)c2ccc(Cl)cc21 ZINC000504186128 1096702622 /nfs/dbraw/zinc/70/26/22/1096702622.db2.gz VYBNGIMYFQBARC-UHFFFAOYSA-N -1 3 363.244 4.163 20 0 FIADHM CCN(Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1)C1CCC1 ZINC000533297849 1098950957 /nfs/dbraw/zinc/95/09/57/1098950957.db2.gz IJVFWVFGGDAKGJ-UHFFFAOYSA-N -1 3 369.490 4.035 20 0 FIADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000515929787 1099044538 /nfs/dbraw/zinc/04/45/38/1099044538.db2.gz IZKHAQCVORVWCW-UHFFFAOYSA-N -1 3 364.225 4.080 20 0 FIADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436493901 1099056356 /nfs/dbraw/zinc/05/63/56/1099056356.db2.gz RLYNCRKEIGSUGO-AWEZNQCLSA-N -1 3 364.445 4.121 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c([O-])c1C ZINC000436515283 1099074417 /nfs/dbraw/zinc/07/44/17/1099074417.db2.gz QGWMMHQHAGZSBV-UHFFFAOYSA-N -1 3 364.367 4.139 20 0 FIADHM Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc(C)cc2[O-])ccc1F ZINC000436525929 1099082201 /nfs/dbraw/zinc/08/22/01/1099082201.db2.gz PISNBQBKZWTZEO-UHFFFAOYSA-N -1 3 368.364 4.246 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c([O-])c1C ZINC000436536663 1099090901 /nfs/dbraw/zinc/09/09/01/1099090901.db2.gz DTLCTJAQFBNQFP-UHFFFAOYSA-N -1 3 352.356 4.346 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c([O-])c1 ZINC000436554286 1099099810 /nfs/dbraw/zinc/09/98/10/1099099810.db2.gz JQFHGZPKRDFKND-UHFFFAOYSA-N -1 3 357.475 4.365 20 0 FIADHM Cc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c([O-])c1 ZINC000436537169 1099102975 /nfs/dbraw/zinc/10/29/75/1099102975.db2.gz GIZRAHPRQMHSLI-UHFFFAOYSA-N -1 3 350.418 4.060 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3cc(Br)ccc3F)no2)c1 ZINC000436537094 1099103116 /nfs/dbraw/zinc/10/31/16/1099103116.db2.gz ROUDGKFSMKEDCU-UHFFFAOYSA-N -1 3 365.158 4.019 20 0 FIADHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1OC(F)F ZINC000436568551 1099119971 /nfs/dbraw/zinc/11/99/71/1099119971.db2.gz YENNTJXDAAPPBW-HNNXBMFYSA-N -1 3 363.360 4.077 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000436592129 1099125403 /nfs/dbraw/zinc/12/54/03/1099125403.db2.gz ZRZNWLQLVXDSOZ-SFHVURJKSA-N -1 3 351.446 4.393 20 0 FIADHM Cc1ccc(C(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)c([O-])c1 ZINC000436625747 1099154107 /nfs/dbraw/zinc/15/41/07/1099154107.db2.gz MYECULAXUWHLBC-SFHVURJKSA-N -1 3 367.342 4.430 20 0 FIADHM O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1c([O-])cccc1O ZINC000436650375 1099170929 /nfs/dbraw/zinc/17/09/29/1099170929.db2.gz ZKBMWOFCVNVGCB-KRWDZBQOSA-N -1 3 372.424 4.141 20 0 FIADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3c([O-])cccc3O)cc2)cs1 ZINC000436646202 1099188724 /nfs/dbraw/zinc/18/87/24/1099188724.db2.gz GQMWNESODLCRHK-NSHDSACASA-N -1 3 354.431 4.021 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000436666587 1099197238 /nfs/dbraw/zinc/19/72/38/1099197238.db2.gz REAGMTPIVALZKS-UHFFFAOYSA-N -1 3 366.244 4.424 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC(c2ccccc2F)C1 ZINC000436659252 1099206704 /nfs/dbraw/zinc/20/67/04/1099206704.db2.gz YPWFRTLGIGUZIP-UHFFFAOYSA-N -1 3 361.416 4.362 20 0 FIADHM COc1cc(-c2nc(CCCc3ccccc3Cl)no2)cc(OC)c1[O-] ZINC000436686921 1099219737 /nfs/dbraw/zinc/21/97/37/1099219737.db2.gz HDFTXYAAODCKHF-UHFFFAOYSA-N -1 3 374.824 4.288 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c1[O-] ZINC000436699281 1099233609 /nfs/dbraw/zinc/23/36/09/1099233609.db2.gz TWHRXXDRAUQFED-UHFFFAOYSA-N -1 3 351.406 4.050 20 0 FIADHM C[C@@](O)(C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CCC1 ZINC000436708094 1099239654 /nfs/dbraw/zinc/23/96/54/1099239654.db2.gz UHVHLIJELWLQDY-FQEVSTJZSA-N -1 3 368.458 4.159 20 0 FIADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(-c4ncco4)c3)c([O-])c2O1 ZINC000436742196 1099261987 /nfs/dbraw/zinc/26/19/87/1099261987.db2.gz VOIDKHWMTNESTQ-UHFFFAOYSA-N -1 3 350.374 4.013 20 0 FIADHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436744614 1099265996 /nfs/dbraw/zinc/26/59/96/1099265996.db2.gz NVCMPACFWLWZNB-UHFFFAOYSA-N -1 3 357.450 4.195 20 0 FIADHM O=C(Nc1cccc(-c2nnco2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436759617 1099275283 /nfs/dbraw/zinc/27/52/83/1099275283.db2.gz CPWYEYAGWALMCM-UHFFFAOYSA-N -1 3 373.368 4.487 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N(Cc1ccccn1)C1CC1 ZINC000436754522 1099290100 /nfs/dbraw/zinc/29/01/00/1099290100.db2.gz IKGHNZCZYCOONL-UHFFFAOYSA-N -1 3 372.468 4.377 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]1c1cccnc1 ZINC000436755621 1099291909 /nfs/dbraw/zinc/29/19/09/1099291909.db2.gz NJMPCWRXPOHFJL-OAQYLSRUSA-N -1 3 358.441 4.355 20 0 FIADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)c1ccccc1OC ZINC000436783328 1099315489 /nfs/dbraw/zinc/31/54/89/1099315489.db2.gz RBTXNIZFBPYJIB-AWEZNQCLSA-N -1 3 373.449 4.031 20 0 FIADHM Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c([O-])c1 ZINC000436789562 1099322705 /nfs/dbraw/zinc/32/27/05/1099322705.db2.gz FAAJXJMFVMZASJ-KRWDZBQOSA-N -1 3 366.244 4.221 20 0 FIADHM COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000436793972 1099326021 /nfs/dbraw/zinc/32/60/21/1099326021.db2.gz UDWFRVZJZKAZEW-LBPRGKRZSA-N -1 3 367.367 4.123 20 0 FIADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436804755 1099333218 /nfs/dbraw/zinc/33/32/18/1099333218.db2.gz CKVIFFYUONZDII-UHFFFAOYSA-N -1 3 374.396 4.277 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC[C@@H]1c1cc[nH]n1 ZINC000436857283 1099357324 /nfs/dbraw/zinc/35/73/24/1099357324.db2.gz WDDBIPBWJLPRGN-HXUWFJFHSA-N -1 3 361.445 4.074 20 0 FIADHM CCc1ccc(-c2nc(-c3ccc(OC(F)F)c(OC)c3)no2)c([O-])c1 ZINC000436842032 1099360974 /nfs/dbraw/zinc/36/09/74/1099360974.db2.gz WIYCZEFMWVTWOZ-UHFFFAOYSA-N -1 3 362.332 4.282 20 0 FIADHM CCc1ccc(-c2nc(-c3ccnc(OCC(F)(F)F)c3)no2)c([O-])c1 ZINC000436843600 1099364010 /nfs/dbraw/zinc/36/40/10/1099364010.db2.gz JAIUSXKBUZITBO-UHFFFAOYSA-N -1 3 365.311 4.008 20 0 FIADHM COc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2OC)c([O-])c1 ZINC000436863267 1099373924 /nfs/dbraw/zinc/37/39/24/1099373924.db2.gz IFGQYJKQWMACHS-KBXCAEBGSA-N -1 3 355.434 4.023 20 0 FIADHM [O-]c1ccc(Nc2cc(F)cc(I)c2)c(F)c1F ZINC001212010986 1099375945 /nfs/dbraw/zinc/37/59/45/1099375945.db2.gz LBIVNTPWWBIHAU-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM CCOP(=O)(OCC)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212014090 1099378832 /nfs/dbraw/zinc/37/88/32/1099378832.db2.gz YZTZUAIOBIDISD-UHFFFAOYSA-N -1 3 357.293 4.305 20 0 FIADHM CCc1ccc(-c2nc(-c3cccc(OCC(F)(F)F)n3)no2)c([O-])c1 ZINC000436868334 1099380820 /nfs/dbraw/zinc/38/08/20/1099380820.db2.gz HKHUDKGUOUPJBR-UHFFFAOYSA-N -1 3 365.311 4.008 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1[O-] ZINC000436873616 1099386307 /nfs/dbraw/zinc/38/63/07/1099386307.db2.gz WRLVQFRKLUIKCS-UHFFFAOYSA-N -1 3 371.396 4.186 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)sc1Cl ZINC001212054073 1099406284 /nfs/dbraw/zinc/40/62/84/1099406284.db2.gz BWNOMNVXTDJIQL-UHFFFAOYSA-N -1 3 359.875 4.205 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)c([O-])c1 ZINC000436890836 1099408096 /nfs/dbraw/zinc/40/80/96/1099408096.db2.gz DEBWXIRKODRROD-UHFFFAOYSA-N -1 3 360.417 4.477 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)c([O-])c1 ZINC000436904256 1099412552 /nfs/dbraw/zinc/41/25/52/1099412552.db2.gz KVDMZXVMHZKNLB-UHFFFAOYSA-N -1 3 365.433 4.069 20 0 FIADHM CO[C@@]1(C)CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436906071 1099414887 /nfs/dbraw/zinc/41/48/87/1099414887.db2.gz PPDZPGATRIDBHL-QFIPXVFZSA-N -1 3 353.462 4.014 20 0 FIADHM Cc1ccncc1CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436906648 1099415174 /nfs/dbraw/zinc/41/51/74/1099415174.db2.gz DSYJXZNRBLUVKW-UHFFFAOYSA-N -1 3 360.457 4.153 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCn3c(cc4ccccc43)C2)c1 ZINC000614890502 1099440761 /nfs/dbraw/zinc/44/07/61/1099440761.db2.gz JWGYRWUWNJCJCB-UHFFFAOYSA-N -1 3 352.459 4.115 20 0 FIADHM COc1cccc(-c2nc(-c3cccc(-c4cscn4)c3)no2)c1[O-] ZINC000436951329 1099444787 /nfs/dbraw/zinc/44/47/87/1099444787.db2.gz RERFTSPVTKLISL-UHFFFAOYSA-N -1 3 351.387 4.241 20 0 FIADHM COCCCOc1cc(C)ccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436946527 1099458194 /nfs/dbraw/zinc/45/81/94/1099458194.db2.gz JJLXDVNZXUZNPK-UHFFFAOYSA-N -1 3 354.406 4.141 20 0 FIADHM CN(C)c1nc2cc(-c3noc(-c4cc5ccccc5cc4[O-])n3)ccc2o1 ZINC000436953110 1099469160 /nfs/dbraw/zinc/46/91/60/1099469160.db2.gz LSPVEUOKUNDFAM-UHFFFAOYSA-N -1 3 372.384 4.470 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000188778544 1099563130 /nfs/dbraw/zinc/56/31/30/1099563130.db2.gz PYWCHQCVDILMKO-UHFFFAOYSA-N -1 3 374.441 4.015 20 0 FIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(Cl)c(F)cc1Cl ZINC000516658776 1099697150 /nfs/dbraw/zinc/69/71/50/1099697150.db2.gz RNYWJOSGDWXALF-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3CC(C)C)cc2)cc(=O)[n-]1 ZINC000623453137 1099758364 /nfs/dbraw/zinc/75/83/64/1099758364.db2.gz ZDKVRANUCIQERR-QGZVFWFLSA-N -1 3 354.454 4.200 20 0 FIADHM CC(C)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000437406035 1099898659 /nfs/dbraw/zinc/89/86/59/1099898659.db2.gz QOALZWYBTVQYPJ-UHFFFAOYSA-N -1 3 362.470 4.350 20 0 FIADHM C[C@@]12CN(Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000516939267 1099946307 /nfs/dbraw/zinc/94/63/07/1099946307.db2.gz RUISQWZNLYJXEA-SDMSHCJZSA-N -1 3 366.486 4.152 20 0 FIADHM Cc1sc(CNCc2cccc([O-])c2Br)nc1C(C)C ZINC000459396679 1100121628 /nfs/dbraw/zinc/12/16/28/1100121628.db2.gz CQFLKFXKQFATSK-UHFFFAOYSA-N -1 3 355.301 4.333 20 0 FIADHM C[C@H](c1ccccc1Cl)N(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000517244922 1100218306 /nfs/dbraw/zinc/21/83/06/1100218306.db2.gz PDXZMLQEFCFSEE-LLVKDONJSA-N -1 3 357.841 4.079 20 0 FIADHM CCOc1cc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)cc(Cl)c1[O-] ZINC000459512870 1100265678 /nfs/dbraw/zinc/26/56/78/1100265678.db2.gz KDLXHOIRKSXCCR-UHFFFAOYSA-N -1 3 351.878 4.097 20 0 FIADHM CCn1ccnc1[C@H]1CCCCN1Cc1cccc([O-])c1Br ZINC000459524259 1100274053 /nfs/dbraw/zinc/27/40/53/1100274053.db2.gz ZGRSFKTZTQHSAO-CQSZACIVSA-N -1 3 364.287 4.098 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCCc3c(F)cccc32)c1Br ZINC000459561322 1100306768 /nfs/dbraw/zinc/30/67/68/1100306768.db2.gz DOACUUAWYYFSSW-HNNXBMFYSA-N -1 3 350.231 4.461 20 0 FIADHM CCCn1ncc(NCc2cccc([O-])c2Br)c1C1CC1 ZINC000459569936 1100317437 /nfs/dbraw/zinc/31/74/37/1100317437.db2.gz MPALFLGBWOXKRM-UHFFFAOYSA-N -1 3 350.260 4.251 20 0 FIADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Br ZINC000459573288 1100321808 /nfs/dbraw/zinc/32/18/08/1100321808.db2.gz INHTXJQAUUKGGA-MWLCHTKSSA-N -1 3 352.194 4.318 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000473585558 1100386133 /nfs/dbraw/zinc/38/61/33/1100386133.db2.gz RINLHTAYKFJFAC-VXGBXAGGSA-N -1 3 357.278 4.431 20 0 FIADHM O=C(CSc1ccc(F)c(F)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473587173 1100580086 /nfs/dbraw/zinc/58/00/86/1100580086.db2.gz FMLXGSAXPAQOLM-UHFFFAOYSA-N -1 3 363.307 4.420 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1Cl ZINC000517724544 1100621915 /nfs/dbraw/zinc/62/19/15/1100621915.db2.gz MBEDBGRBHFZNST-AWEZNQCLSA-N -1 3 363.788 4.230 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)ccc1F ZINC000438764436 1100910628 /nfs/dbraw/zinc/91/06/28/1100910628.db2.gz OTSIFXSSFFWHKO-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(Br)c2C)[nH][n-]1 ZINC000439145584 1101199051 /nfs/dbraw/zinc/19/90/51/1101199051.db2.gz FINBYGOZFWVVPS-UHFFFAOYSA-N -1 3 370.250 4.130 20 0 FIADHM Cc1ccc(Br)cc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000439147109 1101201942 /nfs/dbraw/zinc/20/19/42/1101201942.db2.gz PXYJEISAXRIJNY-UHFFFAOYSA-N -1 3 370.250 4.130 20 0 FIADHM Cc1c2cccc(C)c2oc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433279 1101329705 /nfs/dbraw/zinc/32/97/05/1101329705.db2.gz WLVBUDJLEWGCJL-UHFFFAOYSA-N -1 3 371.746 4.136 20 0 FIADHM CCOC[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000459714809 1101355266 /nfs/dbraw/zinc/35/52/66/1101355266.db2.gz OUJYOSKOONDQFE-CYBMUJFWSA-N -1 3 373.478 4.048 20 0 FIADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(-c2cccnc2)cc1 ZINC000176658466 1101471356 /nfs/dbraw/zinc/47/13/56/1101471356.db2.gz BEZULSAOZURJSP-OAHLLOKOSA-N -1 3 369.424 4.081 20 0 FIADHM COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000537189541 1101523812 /nfs/dbraw/zinc/52/38/12/1101523812.db2.gz VIEWAYYEJOZMEC-UHFFFAOYSA-N -1 3 353.827 4.037 20 0 FIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(F)c1 ZINC000439572527 1101575325 /nfs/dbraw/zinc/57/53/25/1101575325.db2.gz NPGOOHBRVSTABR-UHFFFAOYSA-N -1 3 366.439 4.023 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)c1 ZINC000439952899 1101927529 /nfs/dbraw/zinc/92/75/29/1101927529.db2.gz VPOALMLPYDTWNY-GOSISDBHSA-N -1 3 353.462 4.058 20 0 FIADHM CC(C)OCCS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000475816688 1101950131 /nfs/dbraw/zinc/95/01/31/1101950131.db2.gz MCFBSGIAIZUGNO-UHFFFAOYSA-N -1 3 353.871 4.174 20 0 FIADHM CCO[C@H](C)c1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000476130054 1101952578 /nfs/dbraw/zinc/95/25/78/1101952578.db2.gz CGBSGVUPBKPERI-MRVPVSSYSA-N -1 3 360.357 4.217 20 0 FIADHM CCc1ccc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006519152 1101986956 /nfs/dbraw/zinc/98/69/56/1101986956.db2.gz WLHFEQMUTSZPCW-UHFFFAOYSA-N -1 3 368.289 4.187 20 0 FIADHM Cc1ccc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000006574515 1101992001 /nfs/dbraw/zinc/99/20/01/1101992001.db2.gz RWEKKWMMXJGYFQ-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3occc3COc3ccccc3)n[nH]2)cc1 ZINC000120983574 1102087060 /nfs/dbraw/zinc/08/70/60/1102087060.db2.gz KXOGULHURKKNEA-UHFFFAOYSA-N -1 3 374.400 4.204 20 0 FIADHM COCC[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000263396444 1102111133 /nfs/dbraw/zinc/11/11/33/1102111133.db2.gz GUVSNLOAIBCZAU-QGZVFWFLSA-N -1 3 367.367 4.271 20 0 FIADHM C[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(C2CCCCC2)no1 ZINC000476342775 1102128863 /nfs/dbraw/zinc/12/88/63/1102128863.db2.gz PKKWKLKQJYPOKM-AWEZNQCLSA-N -1 3 369.531 4.068 20 0 FIADHM C[C@H](CCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000426638124 1102224343 /nfs/dbraw/zinc/22/43/43/1102224343.db2.gz IEGLBRZTGDWSSX-LLVKDONJSA-N -1 3 372.412 4.419 20 0 FIADHM Cc1cccc(C[C@@H](CNCc2csc(-c3ccsc3)n2)C(=O)[O-])c1 ZINC000426654746 1102257377 /nfs/dbraw/zinc/25/73/77/1102257377.db2.gz AFRDDTQIIVEXTL-INIZCTEOSA-N -1 3 372.515 4.213 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCc2sccc21 ZINC000532460548 1102368033 /nfs/dbraw/zinc/36/80/33/1102368033.db2.gz XMCWPCQWYCAHIT-LLVKDONJSA-N -1 3 352.253 4.275 20 0 FIADHM C[C@H](CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC(=O)[O-] ZINC000426657642 1102393489 /nfs/dbraw/zinc/39/34/89/1102393489.db2.gz QMFRQMATJPXSTM-LLVKDONJSA-N -1 3 372.412 4.419 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(-c3cc4ccccc4o3)o2)n1 ZINC000121746509 1102448069 /nfs/dbraw/zinc/44/80/69/1102448069.db2.gz WVJQTDNQWGJTIW-JTQLQIEISA-N -1 3 354.391 4.140 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1[O-] ZINC000666635776 1102471774 /nfs/dbraw/zinc/47/17/74/1102471774.db2.gz XRDIVGYWVFNCNN-QGZVFWFLSA-N -1 3 362.429 4.096 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)ccc3F)c2)n1 ZINC000049302482 1102534667 /nfs/dbraw/zinc/53/46/67/1102534667.db2.gz SQNBQVFOILOQSC-UHFFFAOYSA-N -1 3 371.799 4.044 20 0 FIADHM COC(=O)c1ccsc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000122673131 1102609975 /nfs/dbraw/zinc/60/99/75/1102609975.db2.gz DBFRGSVTECOLHT-UHFFFAOYSA-N -1 3 362.794 4.095 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc2)n1 ZINC000122990921 1102720979 /nfs/dbraw/zinc/72/09/79/1102720979.db2.gz TZEKKPVCYSTNAE-KBAYOESNSA-N -1 3 365.477 4.290 20 0 FIADHM O=c1cc(CN2CCc3sccc3[C@@H]2c2cccs2)nc(C2CC2)[n-]1 ZINC000459284945 1102726561 /nfs/dbraw/zinc/72/65/61/1102726561.db2.gz UWBGMVCAOHURLV-GOSISDBHSA-N -1 3 369.515 4.330 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000123039270 1102750845 /nfs/dbraw/zinc/75/08/45/1102750845.db2.gz OGQUZJPUEBNSFP-CHWSQXEVSA-N -1 3 374.868 4.268 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000123039623 1102752593 /nfs/dbraw/zinc/75/25/93/1102752593.db2.gz OGQUZJPUEBNSFP-OLZOCXBDSA-N -1 3 374.868 4.268 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CCC(F)CC1 ZINC001213249207 1102755234 /nfs/dbraw/zinc/75/52/34/1102755234.db2.gz MZELDAAWIZMNRA-BMQDGWLCSA-N -1 3 371.371 4.040 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)C2c3ccccc3-c3ccccc32)c1 ZINC000123054656 1102775322 /nfs/dbraw/zinc/77/53/22/1102775322.db2.gz JBJWPLAGWOWUQY-UHFFFAOYSA-N -1 3 372.424 4.193 20 0 FIADHM Cc1coc(-c2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc2C)n1 ZINC000129900884 1102811211 /nfs/dbraw/zinc/81/12/11/1102811211.db2.gz OBBWESYTNIEUDB-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c([O-])c1C ZINC000050176793 1102816055 /nfs/dbraw/zinc/81/60/55/1102816055.db2.gz XYPTXACBLURCDP-UHFFFAOYSA-N -1 3 364.401 4.415 20 0 FIADHM C[C@H]1CN(Cc2cccc([O-])c2Br)C[C@H](c2ccsc2)O1 ZINC000459341221 1102854836 /nfs/dbraw/zinc/85/48/36/1102854836.db2.gz NSHVQHAPKVHVKZ-XHDPSFHLSA-N -1 3 368.296 4.178 20 0 FIADHM [O-]c1cccc(CN2CCC(OCC3CCCC3)CC2)c1Br ZINC000459342963 1102868100 /nfs/dbraw/zinc/86/81/00/1102868100.db2.gz PSUYHXXDWPVCAA-UHFFFAOYSA-N -1 3 368.315 4.326 20 0 FIADHM O=c1cc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)nc(C2CC2)[n-]1 ZINC000459352093 1102888088 /nfs/dbraw/zinc/88/80/88/1102888088.db2.gz LJIJBQWULBUUMG-UHFFFAOYSA-N -1 3 350.249 4.145 20 0 FIADHM Cc1ccc([C@@H](NCc2ccc(Cl)c(Br)c2)C(=O)[O-])cc1 ZINC000426683900 1102918376 /nfs/dbraw/zinc/91/83/76/1102918376.db2.gz WFNQJNCWBRNFJO-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)ccc1Br ZINC000426696399 1102926510 /nfs/dbraw/zinc/92/65/10/1102926510.db2.gz OMCBRULRLILJNF-AWEZNQCLSA-N -1 3 354.269 4.125 20 0 FIADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1Br ZINC000426692231 1102936468 /nfs/dbraw/zinc/93/64/68/1102936468.db2.gz QASAHKARCNHRAP-AWEZNQCLSA-N -1 3 354.269 4.125 20 0 FIADHM Cc1ccc([C@@H](NCc2ccc(OC(F)F)c(Cl)c2)C(=O)[O-])cc1 ZINC000426715516 1102937582 /nfs/dbraw/zinc/93/75/82/1102937582.db2.gz RIWJOBHRBVBSEF-OAHLLOKOSA-N -1 3 355.768 4.165 20 0 FIADHM Cc1cccc([C@H](NCc2cc(F)cc(C(F)(F)F)c2)C(=O)[O-])c1C ZINC000426731638 1102950836 /nfs/dbraw/zinc/95/08/36/1102950836.db2.gz QDLLDXZJTHJASJ-INIZCTEOSA-N -1 3 355.331 4.377 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000426727331 1102962817 /nfs/dbraw/zinc/96/28/17/1102962817.db2.gz OEZJWGXFSMLJEX-CQSZACIVSA-N -1 3 361.722 4.413 20 0 FIADHM Cc1cc(C)cc([C@H](NCc2cnn(-c3ccc(Cl)cc3)c2)C(=O)[O-])c1 ZINC000426753860 1102969114 /nfs/dbraw/zinc/96/91/14/1102969114.db2.gz LPYLQXMCAPHUNJ-IBGZPJMESA-N -1 3 369.852 4.058 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000426754105 1102969391 /nfs/dbraw/zinc/96/93/91/1102969391.db2.gz NQBQDSKPPFIYPU-BLLLJJGKSA-N -1 3 358.488 4.423 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000426754935 1102970287 /nfs/dbraw/zinc/97/02/87/1102970287.db2.gz VIDXXUAHYQJWEE-KSSFIOAISA-N -1 3 352.459 4.362 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cccc3c2OC(C)(C)C3)cc1 ZINC000426755352 1102971216 /nfs/dbraw/zinc/97/12/16/1102971216.db2.gz YOOPTGKBHHLGFK-LJQANCHMSA-N -1 3 369.461 4.104 20 0 FIADHM Cc1cc(C)cc([C@@H](NCc2csc(Br)c2)C(=O)[O-])c1 ZINC000426760250 1102974526 /nfs/dbraw/zinc/97/45/26/1102974526.db2.gz ZHVQUQILZMNYFD-CQSZACIVSA-N -1 3 354.269 4.043 20 0 FIADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2F)n1 ZINC000614857141 1102987380 /nfs/dbraw/zinc/98/73/80/1102987380.db2.gz BWBBYTWBTPIADN-UHFFFAOYSA-N -1 3 373.453 4.046 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1ccccc1)C(=O)[O-] ZINC000426789121 1102991765 /nfs/dbraw/zinc/99/17/65/1102991765.db2.gz RUSYNNXNTLWDLV-LJQANCHMSA-N -1 3 369.852 4.058 20 0 FIADHM CCc1ccc([C@@H](NCc2cc(F)cc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426808950 1103003541 /nfs/dbraw/zinc/00/35/41/1103003541.db2.gz BNXDRQIXZFNLDJ-MRXNPFEDSA-N -1 3 355.331 4.322 20 0 FIADHM O=C([O-])[C@@H](NCc1coc2ccccc12)c1ccc(Br)cc1 ZINC000426808648 1103005423 /nfs/dbraw/zinc/00/54/23/1103005423.db2.gz AOGKJELBADYJHU-INIZCTEOSA-N -1 3 360.207 4.111 20 0 FIADHM Cc1cc([C@H](NCc2ccc(Br)s2)C(=O)[O-])ccc1Cl ZINC000426810663 1103006484 /nfs/dbraw/zinc/00/64/84/1103006484.db2.gz PTRMJHLXBUEYLX-ZDUSSCGKSA-N -1 3 374.687 4.388 20 0 FIADHM CCc1ccc([C@H](NCc2cnn(-c3ccc(Cl)cc3)c2)C(=O)[O-])cc1 ZINC000426825931 1103022686 /nfs/dbraw/zinc/02/26/86/1103022686.db2.gz RPXSQJLGTGDDJD-IBGZPJMESA-N -1 3 369.852 4.004 20 0 FIADHM CC(C)c1csc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000477152080 1103171345 /nfs/dbraw/zinc/17/13/45/1103171345.db2.gz QLBSVTAJMSSKEL-UHFFFAOYSA-N -1 3 365.307 4.052 20 0 FIADHM CCc1noc(-c2ccc(C)c(NC(=O)c3cc([O-])ccc3Cl)c2)n1 ZINC000551487769 1103280946 /nfs/dbraw/zinc/28/09/46/1103280946.db2.gz OXIVWYARILEEGE-UHFFFAOYSA-N -1 3 357.797 4.219 20 0 FIADHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000507291825 1103283239 /nfs/dbraw/zinc/28/32/39/1103283239.db2.gz YXXXIJWCBCDUOP-JTQLQIEISA-N -1 3 362.253 4.042 20 0 FIADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc2s1 ZINC000427140684 1103292561 /nfs/dbraw/zinc/29/25/61/1103292561.db2.gz UDIXDVIXRBXFPK-UHFFFAOYSA-N -1 3 356.831 4.198 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2csc(-c3ccc(F)cc3)n2)n1 ZINC000477349354 1103414182 /nfs/dbraw/zinc/41/41/82/1103414182.db2.gz KGUSRPSXSADGQW-UHFFFAOYSA-N -1 3 361.467 4.441 20 0 FIADHM CCC[C@H](NC(=O)[C@H](C)SCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000477351475 1103415877 /nfs/dbraw/zinc/41/58/77/1103415877.db2.gz LZOURYSULHNAEB-YOEHRIQHSA-N -1 3 373.522 4.024 20 0 FIADHM O=c1ccnc(C(=Cc2cnc(-c3ccccn3)s2)Cc2ccccc2)[n-]1 ZINC000427290084 1103416056 /nfs/dbraw/zinc/41/60/56/1103416056.db2.gz YHODDDWGBVXATC-DTQAZKPQSA-N -1 3 372.453 4.484 20 0 FIADHM O=C(NCc1csc(CCc2ccccc2)n1)c1cc([O-])ccc1Cl ZINC000551763360 1103598898 /nfs/dbraw/zinc/59/88/98/1103598898.db2.gz RLRVGPBEOVZYGI-UHFFFAOYSA-N -1 3 372.877 4.217 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2c(-c3cccc(F)c3)n[nH]c2C2CC2)c1 ZINC001299204361 1103985361 /nfs/dbraw/zinc/98/53/61/1103985361.db2.gz CFZJZRCHJBMCGP-UHFFFAOYSA-N -1 3 367.380 4.060 20 0 FIADHM Cc1nc(-c2cccs2)sc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000519998387 1104021946 /nfs/dbraw/zinc/02/19/46/1104021946.db2.gz BSLVHHIEDQJYAU-UHFFFAOYSA-N -1 3 366.471 4.244 20 0 FIADHM CCN(C)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000440988774 1104063140 /nfs/dbraw/zinc/06/31/40/1104063140.db2.gz RIFGBONMEZNHOM-MRXNPFEDSA-N -1 3 352.356 4.043 20 0 FIADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)no1 ZINC000552017513 1104079048 /nfs/dbraw/zinc/07/90/48/1104079048.db2.gz WIYYDRIDHDHIFO-UHFFFAOYSA-N -1 3 370.474 4.166 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(Br)c1 ZINC000507736147 1104150659 /nfs/dbraw/zinc/15/06/59/1104150659.db2.gz DJGDVBHISFDJBD-QMMMGPOBSA-N -1 3 372.621 4.438 20 0 FIADHM O=c1cc(CNc2ccccc2COCc2ccccc2)nc(C2CC2)[n-]1 ZINC000417010274 1104252687 /nfs/dbraw/zinc/25/26/87/1104252687.db2.gz OYLNCQDZFIIEIE-UHFFFAOYSA-N -1 3 361.445 4.389 20 0 FIADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(NC(C)=O)ccc2[O-])o1 ZINC000122915104 1104376554 /nfs/dbraw/zinc/37/65/54/1104376554.db2.gz GHLJXEVKKPCIEA-SCLBCKFNSA-N -1 3 370.449 4.119 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c([O-])c1 ZINC000102306646 1104394529 /nfs/dbraw/zinc/39/45/29/1104394529.db2.gz TZAJDXNZNFIRPG-UHFFFAOYSA-N -1 3 352.415 4.267 20 0 FIADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(F)cc1Cl ZINC000112956727 1104444310 /nfs/dbraw/zinc/44/43/10/1104444310.db2.gz SMJYTGSNAHPLKF-UHFFFAOYSA-N -1 3 372.827 4.028 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)sc1Cl ZINC000473942169 1104451365 /nfs/dbraw/zinc/45/13/65/1104451365.db2.gz DCDIIIHPFZMUEM-UHFFFAOYSA-N -1 3 351.827 4.126 20 0 FIADHM CCc1ncsc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000441450600 1104741497 /nfs/dbraw/zinc/74/14/97/1104741497.db2.gz LBTWLYDKBRXZKA-UHFFFAOYSA-N -1 3 367.261 4.077 20 0 FIADHM Cc1ncsc1CN[C@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000417570141 1104990796 /nfs/dbraw/zinc/99/07/96/1104990796.db2.gz MMOSINGLLCCACM-CYBMUJFWSA-N -1 3 359.278 4.454 20 0 FIADHM COc1cccc(-c2nc(Cc3c(Cl)cccc3Cl)no2)c1[O-] ZINC000320455739 1105044540 /nfs/dbraw/zinc/04/45/40/1105044540.db2.gz OLODRILUDRJBIJ-UHFFFAOYSA-N -1 3 351.189 4.348 20 0 FIADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000450896701 1106782724 /nfs/dbraw/zinc/78/27/24/1106782724.db2.gz NZRPNPNDDWAISA-AAEUAGOBSA-N -1 3 374.828 4.024 20 0 FIADHM Cc1cc(Br)c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1Cl ZINC000530166520 1106871867 /nfs/dbraw/zinc/87/18/67/1106871867.db2.gz PSBNRIGBVJQYSZ-WBIUFABUSA-N -1 3 372.690 4.096 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3CCc3ccccc3)nc2)n1 ZINC000301261273 1106974192 /nfs/dbraw/zinc/97/41/92/1106974192.db2.gz VCJBQOMMFIVWAN-FQEVSTJZSA-N -1 3 374.488 4.408 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC(C(C)(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000530354474 1106982495 /nfs/dbraw/zinc/98/24/95/1106982495.db2.gz BVCOTZAGPOGLTK-UHFFFAOYSA-N -1 3 368.481 4.448 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccccc4)[C@@H](C)C3)nc2)n1 ZINC000301442346 1107032421 /nfs/dbraw/zinc/03/24/21/1107032421.db2.gz IZXQRPPUCJDDTD-JXFKEZNVSA-N -1 3 374.488 4.437 20 0 FIADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000530776991 1107314171 /nfs/dbraw/zinc/31/41/71/1107314171.db2.gz AFFUEJXLPLDXGM-NSHDSACASA-N -1 3 364.239 4.296 20 0 FIADHM CCc1nc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])cs1 ZINC000530849736 1107358169 /nfs/dbraw/zinc/35/81/69/1107358169.db2.gz UICUQHNTPBEARB-UHFFFAOYSA-N -1 3 368.458 4.476 20 0 FIADHM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(F)ccc2[O-])c(Br)c1 ZINC000530897309 1107388712 /nfs/dbraw/zinc/38/87/12/1107388712.db2.gz RRQPLOOVAGEFQG-JTQLQIEISA-N -1 3 368.202 4.008 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4cc(Cl)ccc4C3)nc2)n1 ZINC000302724189 1107420935 /nfs/dbraw/zinc/42/09/35/1107420935.db2.gz NUPWUCKVAAZVIS-UHFFFAOYSA-N -1 3 366.852 4.023 20 0 FIADHM CSCc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1F ZINC000531014997 1107463870 /nfs/dbraw/zinc/46/38/70/1107463870.db2.gz CWBFMFMAUVFPTK-UHFFFAOYSA-N -1 3 370.243 4.409 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(N2CCc3ccccc3C2)cc1 ZINC000531135369 1107570279 /nfs/dbraw/zinc/57/02/79/1107570279.db2.gz UWLNMQFPAZPASN-UHFFFAOYSA-N -1 3 362.404 4.346 20 0 FIADHM Cc1cnc(CCN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000152460137 1107731707 /nfs/dbraw/zinc/73/17/07/1107731707.db2.gz NAUOQAFVIJRRSO-UHFFFAOYSA-N -1 3 366.486 4.063 20 0 FIADHM COCc1cc(O)ccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001142038876 1107740827 /nfs/dbraw/zinc/74/08/27/1107740827.db2.gz KVLXICOVTOGMLJ-UHFFFAOYSA-N -1 3 363.413 4.087 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(C(C)(C)C)on1 ZINC000452759266 1107939871 /nfs/dbraw/zinc/93/98/71/1107939871.db2.gz UFWYHQVMUDIYIE-UHFFFAOYSA-N -1 3 353.216 4.001 20 0 FIADHM CC[C@@H](C)c1cc(C(=O)Nc2c([O-])ccc(Br)c2C)on1 ZINC000452762417 1107941075 /nfs/dbraw/zinc/94/10/75/1107941075.db2.gz YKFXZJURCIPRPE-MRVPVSSYSA-N -1 3 353.216 4.217 20 0 FIADHM CC[C@H](C)n1ncc(C(=O)Nc2c([O-])ccc(Br)c2C)c1C ZINC000452755371 1107948001 /nfs/dbraw/zinc/94/80/01/1107948001.db2.gz NFSRWNLPXBIFJB-VIFPVBQESA-N -1 3 366.259 4.191 20 0 FIADHM CCO[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000452847226 1107974834 /nfs/dbraw/zinc/97/48/34/1107974834.db2.gz XKQHJASPEVBZJY-HTAPYJJXSA-N -1 3 367.489 4.065 20 0 FIADHM CCO[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000452847229 1107974986 /nfs/dbraw/zinc/97/49/86/1107974986.db2.gz XKQHJASPEVBZJY-JTSKRJEESA-N -1 3 367.489 4.065 20 0 FIADHM CC(C)(C)c1nc(C(=O)Nc2ccc(Br)cc2[O-])cs1 ZINC000523253837 1108015342 /nfs/dbraw/zinc/01/53/42/1108015342.db2.gz AXHMZVNVKNHSHC-UHFFFAOYSA-N -1 3 355.257 4.161 20 0 FIADHM CC[C@@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000532019440 1108555414 /nfs/dbraw/zinc/55/54/14/1108555414.db2.gz VBOLNBOCOMEZET-HNNXBMFYSA-N -1 3 362.267 4.040 20 0 FIADHM CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc(C)cc3[O-])n2)cc1 ZINC000445274848 1108596313 /nfs/dbraw/zinc/59/63/13/1108596313.db2.gz NGFKDEWGJVOQRB-CQSZACIVSA-N -1 3 365.433 4.445 20 0 FIADHM Cc1c2cc(C)ccc2sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000445256163 1108598126 /nfs/dbraw/zinc/59/81/26/1108598126.db2.gz VSPFMNRLJZPPBD-UHFFFAOYSA-N -1 3 374.487 4.142 20 0 FIADHM Cc1ccc(NC(=O)Cc2noc(-c3cc4ccccc4cc3[O-])n2)c(C)c1 ZINC000445356901 1108695221 /nfs/dbraw/zinc/69/52/21/1108695221.db2.gz MHSGHIREPPEILO-UHFFFAOYSA-N -1 3 373.412 4.393 20 0 FIADHM C[C@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccoc1 ZINC000532247915 1108726934 /nfs/dbraw/zinc/72/69/34/1108726934.db2.gz VFYJZRIJXCYYIK-AWEZNQCLSA-N -1 3 374.437 4.070 20 0 FIADHM Cc1cccc2[nH]c(CCc3nc(-c4ccc([O-])cc4Cl)no3)nc21 ZINC000445447235 1108774026 /nfs/dbraw/zinc/77/40/26/1108774026.db2.gz NYVJAZOEALMYCN-UHFFFAOYSA-N -1 3 354.797 4.066 20 0 FIADHM COC(=O)c1cnc(SCc2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000193538658 1108776867 /nfs/dbraw/zinc/77/68/67/1108776867.db2.gz KAAIRBBTMGJPCJ-UHFFFAOYSA-N -1 3 365.867 4.266 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000426757862 1108812362 /nfs/dbraw/zinc/81/23/62/1108812362.db2.gz FVDIALYEQOUQCK-AWEZNQCLSA-N -1 3 361.722 4.413 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2(c3cccs3)CCCCC2)c1 ZINC000524147884 1108859277 /nfs/dbraw/zinc/85/92/77/1108859277.db2.gz RZJVOUTVUWNRCB-UHFFFAOYSA-N -1 3 372.490 4.044 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c(C)c1C ZINC000524208922 1108905238 /nfs/dbraw/zinc/90/52/38/1108905238.db2.gz RFPUYBOQMOQNBI-UHFFFAOYSA-N -1 3 363.479 4.038 20 0 FIADHM CCc1ccccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000445596570 1108909292 /nfs/dbraw/zinc/90/92/92/1108909292.db2.gz NIFAXJMPQNCZEX-UHFFFAOYSA-N -1 3 362.458 4.376 20 0 FIADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccccc1C(F)(F)F ZINC000016129552 1108911786 /nfs/dbraw/zinc/91/17/86/1108911786.db2.gz SSOIQSGDYIYNQA-UHFFFAOYSA-N -1 3 353.724 4.299 20 0 FIADHM O=S(=O)([N-][C@H](Cc1ccccc1Cl)c1ccccc1)c1ccco1 ZINC000445759609 1108981840 /nfs/dbraw/zinc/98/18/40/1108981840.db2.gz ROFBLWDNPHXZNO-QGZVFWFLSA-N -1 3 361.850 4.195 20 0 FIADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1[n-]cnc1C(F)(F)F ZINC000827986099 1109308676 /nfs/dbraw/zinc/30/86/76/1109308676.db2.gz NIUVJQSQBLXSJA-UHFFFAOYSA-N -1 3 353.344 4.392 20 0 FIADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1nc[n-]c1C(F)(F)F ZINC000827986099 1109308680 /nfs/dbraw/zinc/30/86/80/1109308680.db2.gz NIUVJQSQBLXSJA-UHFFFAOYSA-N -1 3 353.344 4.392 20 0 FIADHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000367351018 1109322641 /nfs/dbraw/zinc/32/26/41/1109322641.db2.gz ZWSBRBIEUCTKIT-UHFFFAOYSA-N -1 3 373.387 4.290 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1Cl ZINC000525310249 1109334384 /nfs/dbraw/zinc/33/43/84/1109334384.db2.gz TVWPCRQIEHUNLW-UHFFFAOYSA-N -1 3 365.760 4.348 20 0 FIADHM O=C(N[C@H](c1ccccc1F)C1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000446875563 1109376428 /nfs/dbraw/zinc/37/64/28/1109376428.db2.gz MDMNYPOABHRCGQ-NRFANRHFSA-N -1 3 364.420 4.329 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(-c3cscn3)c2)[nH][n-]1 ZINC000525752247 1109508444 /nfs/dbraw/zinc/50/84/44/1109508444.db2.gz ZOGHADLUJLGANG-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000527106957 1109693615 /nfs/dbraw/zinc/69/36/15/1109693615.db2.gz BNCMBLMLWLWQQH-UHFFFAOYSA-N -1 3 363.343 4.051 20 0 FIADHM CCOc1ccc(Oc2ccccc2NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527106809 1109693740 /nfs/dbraw/zinc/69/37/40/1109693740.db2.gz MFUHIFXMPUNIDP-UHFFFAOYSA-N -1 3 374.400 4.401 20 0 FIADHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527464005 1109761352 /nfs/dbraw/zinc/76/13/52/1109761352.db2.gz OWGNWPKBKMLMOW-AWEZNQCLSA-N -1 3 363.413 4.149 20 0 FIADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000448488533 1109807034 /nfs/dbraw/zinc/80/70/34/1109807034.db2.gz BUFUJJMOHKPBJB-UHFFFAOYSA-N -1 3 363.348 4.118 20 0 FIADHM C[C@@H](c1ccco1)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000528148078 1109925392 /nfs/dbraw/zinc/92/53/92/1109925392.db2.gz OAMNQQOKENOJIL-JTQLQIEISA-N -1 3 350.212 4.114 20 0 FIADHM CCC(F)(F)C(C)(C)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000528182768 1109928127 /nfs/dbraw/zinc/92/81/27/1109928127.db2.gz PWGHJSGGGVVOEZ-UHFFFAOYSA-N -1 3 350.413 4.344 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC000528500519 1110007623 /nfs/dbraw/zinc/00/76/23/1110007623.db2.gz UUJXOYGCZJCQRH-SFHVURJKSA-N -1 3 374.437 4.095 20 0 FIADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000450323149 1110283575 /nfs/dbraw/zinc/28/35/75/1110283575.db2.gz FTHXUASVPGKONE-VXGBXAGGSA-N -1 3 369.358 4.401 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000450361534 1110286892 /nfs/dbraw/zinc/28/68/92/1110286892.db2.gz FRJVAJSXEDINRU-GOSISDBHSA-N -1 3 367.342 4.360 20 0 FIADHM CC(C)CN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)c(Cl)c1 ZINC000529695514 1110307412 /nfs/dbraw/zinc/30/74/12/1110307412.db2.gz CJQUIFKJBIKYAZ-UHFFFAOYSA-N -1 3 363.820 4.155 20 0 FIADHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000529945147 1110344708 /nfs/dbraw/zinc/34/47/08/1110344708.db2.gz KLBHDZYUQDKGGW-KRWDZBQOSA-N -1 3 364.420 4.076 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ncsc2-c2ccccc2)c1F ZINC000478058835 1111660545 /nfs/dbraw/zinc/66/05/45/1111660545.db2.gz FIPHOZLQEYSYNT-UHFFFAOYSA-N -1 3 374.368 4.127 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cnc(-c3ccccc3)s2)c1F ZINC000478077005 1111671628 /nfs/dbraw/zinc/67/16/28/1111671628.db2.gz OAKNZKIEJANHTD-UHFFFAOYSA-N -1 3 374.368 4.127 20 0 FIADHM Cc1cc(Br)cc(Cl)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000479170124 1111959642 /nfs/dbraw/zinc/95/96/42/1111959642.db2.gz UDRPMMSSNGMWDF-UHFFFAOYSA-N -1 3 372.621 4.186 20 0 FIADHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2n1 ZINC000479247366 1111973411 /nfs/dbraw/zinc/97/34/11/1111973411.db2.gz CIPZPGROKAWPGZ-UHFFFAOYSA-N -1 3 363.442 4.111 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000554416271 1112337369 /nfs/dbraw/zinc/33/73/69/1112337369.db2.gz KEHZPSTZYVLHGR-UHFFFAOYSA-N -1 3 368.440 4.231 20 0 FIADHM Cc1nc2cc(Cl)c(NCc3nc(C(F)(F)F)cc(=O)[n-]3)cc2s1 ZINC000480309464 1112380082 /nfs/dbraw/zinc/38/00/82/1112380082.db2.gz PFARLEZZRUPREC-UHFFFAOYSA-N -1 3 374.775 4.385 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)[C@@H]3c3ccccc3)cc2)cc(=O)[n-]1 ZINC000480361639 1112400021 /nfs/dbraw/zinc/40/00/21/1112400021.db2.gz VDKCWDBUDNZFMV-LHSJRXKWSA-N -1 3 374.444 4.383 20 0 FIADHM O=C(c1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c1)C(F)(F)F ZINC000842194143 1112478743 /nfs/dbraw/zinc/47/87/43/1112478743.db2.gz VLFMBQAGIDLZRK-UHFFFAOYSA-N -1 3 368.380 4.238 20 0 FIADHM CCCCOc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000554972651 1112599740 /nfs/dbraw/zinc/59/97/40/1112599740.db2.gz OASYDZSJMAXNKX-UHFFFAOYSA-N -1 3 363.841 4.163 20 0 FIADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000600097635 1112868253 /nfs/dbraw/zinc/86/82/53/1112868253.db2.gz VJUVZHWCYSZYKB-MRXNPFEDSA-N -1 3 367.445 4.176 20 0 FIADHM C[C@H](CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H](C)CO)c1ccccc1 ZINC000489503115 1113025434 /nfs/dbraw/zinc/02/54/34/1113025434.db2.gz SZOADQOEZYEJSQ-SJORKVTESA-N -1 3 363.457 4.172 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N([C@@H](C)C(C)C)C3CC3)cc2)cc(=O)[n-]1 ZINC000555970647 1113091597 /nfs/dbraw/zinc/09/15/97/1113091597.db2.gz DHKXOROQYQWEFX-ZDUSSCGKSA-N -1 3 354.454 4.198 20 0 FIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000481862808 1113109602 /nfs/dbraw/zinc/10/96/02/1113109602.db2.gz BPDGVFYONCYTRL-UHFFFAOYSA-N -1 3 361.507 4.110 20 0 FIADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000481869569 1113115114 /nfs/dbraw/zinc/11/51/14/1113115114.db2.gz RSAXQDFPKCKVPE-UHFFFAOYSA-N -1 3 374.893 4.356 20 0 FIADHM Cc1cc(O)c(C(C)C)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000158853470 1113258287 /nfs/dbraw/zinc/25/82/87/1113258287.db2.gz LTWFZVFWKMPABQ-UHFFFAOYSA-N -1 3 368.408 4.365 20 0 FIADHM CC(C)CCOc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486004855 1113487337 /nfs/dbraw/zinc/48/73/37/1113487337.db2.gz MRLVDGLHAKOYDG-ZZXKWVIFSA-N -1 3 361.445 4.427 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC2(C1)CCCCC2 ZINC000486643364 1113610959 /nfs/dbraw/zinc/61/09/59/1113610959.db2.gz WKTPRRUWDBDSRW-UHFFFAOYSA-N -1 3 367.287 4.021 20 0 FIADHM CN(CCC1CCCCC1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486651063 1113613012 /nfs/dbraw/zinc/61/30/12/1113613012.db2.gz MYPAGHZPSJEBIE-UHFFFAOYSA-N -1 3 369.303 4.267 20 0 FIADHM O=S(=O)(CCC1CC1)[N-]c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000488456189 1113932155 /nfs/dbraw/zinc/93/21/55/1113932155.db2.gz GKDXSLJFEMPKTI-UHFFFAOYSA-N -1 3 352.843 4.069 20 0 FIADHM COc1cc(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)cc(OC)c1[O-] ZINC000490141855 1114223870 /nfs/dbraw/zinc/22/38/70/1114223870.db2.gz HYOHLJKZICIJIC-LJQANCHMSA-N -1 3 357.450 4.235 20 0 FIADHM O=C([O-])c1cccc(OCCN2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000571451773 1114465156 /nfs/dbraw/zinc/46/51/56/1114465156.db2.gz AEABTRJGAJJWKQ-NRFANRHFSA-N -1 3 364.445 4.472 20 0 FIADHM Cc1ccc(CC(=O)[N-]OCc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000156849886 1114607255 /nfs/dbraw/zinc/60/72/55/1114607255.db2.gz ORPDWVUITQVBEJ-UHFFFAOYSA-N -1 3 374.440 4.038 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000572866227 1114808118 /nfs/dbraw/zinc/80/81/18/1114808118.db2.gz YMFFFGSBALWUTA-VSKRKVRLSA-N -1 3 373.452 4.190 20 0 FIADHM O=C1Nc2ccc(F)cc2C1=N[N-]c1ncc(C(F)(F)F)cc1Cl ZINC000057600223 1114960433 /nfs/dbraw/zinc/96/04/33/1114960433.db2.gz JTXHALAJOPGBOI-UHFFFAOYSA-N -1 3 358.682 4.311 20 0 FIADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cc(C(F)(F)F)ccc1F ZINC000590792769 1114975817 /nfs/dbraw/zinc/97/58/17/1114975817.db2.gz FTNPXCKJWRWBEW-UHFFFAOYSA-N -1 3 373.327 4.069 20 0 FIADHM O=c1cc(CSCc2coc(-c3ccc(F)cc3)n2)nc(C2CC2)[n-]1 ZINC000591381018 1115072351 /nfs/dbraw/zinc/07/23/51/1115072351.db2.gz JXFAOQCCZKECEA-UHFFFAOYSA-N -1 3 357.410 4.287 20 0 FIADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000574337216 1115343161 /nfs/dbraw/zinc/34/31/61/1115343161.db2.gz OTCLYHDQYKRGTC-GFCCVEGCSA-N -1 3 357.479 4.051 20 0 FIADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC[C@@H]1c1cccs1 ZINC000575065232 1115532504 /nfs/dbraw/zinc/53/25/04/1115532504.db2.gz BFTJYRKQECHYKN-CQSZACIVSA-N -1 3 354.431 4.438 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3c(F)cccc3F)nc2)n1 ZINC000597920439 1115695241 /nfs/dbraw/zinc/69/52/41/1115695241.db2.gz YVOCHRMPZWBRIO-LLVKDONJSA-N -1 3 356.376 4.258 20 0 FIADHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000605291760 1115879883 /nfs/dbraw/zinc/87/98/83/1115879883.db2.gz SXQXHLIBZNPCAH-OAHLLOKOSA-N -1 3 369.845 4.067 20 0 FIADHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000605291759 1115880044 /nfs/dbraw/zinc/88/00/44/1115880044.db2.gz SXQXHLIBZNPCAH-HNNXBMFYSA-N -1 3 369.845 4.067 20 0 FIADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1cccc(C(F)(F)F)c1 ZINC000606365050 1115938754 /nfs/dbraw/zinc/93/87/54/1115938754.db2.gz ISXKHLXHOQCFFZ-SNVBAGLBSA-N -1 3 364.327 4.216 20 0 FIADHM Cc1ccc(-c2nc(C(=O)NCc3ccc([O-])c(F)c3)cs2)c(C)c1 ZINC000606537348 1115953933 /nfs/dbraw/zinc/95/39/33/1115953933.db2.gz GEBNNVSQBKULQV-UHFFFAOYSA-N -1 3 356.422 4.202 20 0 FIADHM COc1cc(-c2ccccc2)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000606536815 1115954070 /nfs/dbraw/zinc/95/40/70/1115954070.db2.gz LNTSEJXEZJYTCM-UHFFFAOYSA-N -1 3 357.406 4.198 20 0 FIADHM COc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606714551 1115965287 /nfs/dbraw/zinc/96/52/87/1115965287.db2.gz CYCMNKIYKKUWOE-IBGZPJMESA-N -1 3 372.440 4.367 20 0 FIADHM CCOc1ccc(CN(C(=O)NCc2ccc([O-])c(F)c2)C(C)C)cc1 ZINC000606720265 1115965455 /nfs/dbraw/zinc/96/54/55/1115965455.db2.gz PXRRZHFGDVNAJP-UHFFFAOYSA-N -1 3 360.429 4.050 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3C[C@H](C)C[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000606916605 1115983040 /nfs/dbraw/zinc/98/30/40/1115983040.db2.gz NFXPCBAHXBHXMP-CHWSQXEVSA-N -1 3 354.454 4.104 20 0 FIADHM CCCc1ncc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)s1 ZINC000607831851 1116064786 /nfs/dbraw/zinc/06/47/86/1116064786.db2.gz LOEMNDSNCFMAPL-UHFFFAOYSA-N -1 3 358.492 4.483 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(-c2ccoc2)c1 ZINC000534075073 1116156215 /nfs/dbraw/zinc/15/62/15/1116156215.db2.gz CCHMHJYXOURRMU-UHFFFAOYSA-N -1 3 372.218 4.345 20 0 FIADHM COc1cc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000457286607 1116261645 /nfs/dbraw/zinc/26/16/45/1116261645.db2.gz SGXKHMWARRPTJI-HXUWFJFHSA-N -1 3 367.445 4.167 20 0 FIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000535141729 1116273651 /nfs/dbraw/zinc/27/36/51/1116273651.db2.gz MJBDAWAJUVOUTF-UHFFFAOYSA-N -1 3 361.797 4.206 20 0 FIADHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1cccs1 ZINC000462497693 1116362077 /nfs/dbraw/zinc/36/20/77/1116362077.db2.gz YWBBPFVLFNHKHQ-JTQLQIEISA-N -1 3 364.319 4.212 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)c(F)c1 ZINC000539668829 1116363679 /nfs/dbraw/zinc/36/36/79/1116363679.db2.gz YUNMCZIXBUTBGX-UHFFFAOYSA-N -1 3 369.421 4.416 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000539842479 1116389640 /nfs/dbraw/zinc/38/96/40/1116389640.db2.gz DWHYHVULDGZRCW-OAQYLSRUSA-N -1 3 358.441 4.355 20 0 FIADHM CCc1cccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1[O-] ZINC000539916579 1117750892 /nfs/dbraw/zinc/75/08/92/1117750892.db2.gz MJTMKRHBKOUVRX-LJQANCHMSA-N -1 3 350.393 4.008 20 0 FIADHM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000540039223 1117835312 /nfs/dbraw/zinc/83/53/12/1117835312.db2.gz JFDRBMGMQDEGEE-UHFFFAOYSA-N -1 3 371.380 4.140 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(C)c1 ZINC000540205315 1117933805 /nfs/dbraw/zinc/93/38/05/1117933805.db2.gz YQYGXCQOXFFBRI-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM O=[S@](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc([O-])cc1 ZINC000463693774 1118284791 /nfs/dbraw/zinc/28/47/91/1118284791.db2.gz UBUNFMVLUFJHOI-HSZRJFAPSA-N -1 3 369.229 4.057 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1sccc1Br ZINC000491323927 1118614964 /nfs/dbraw/zinc/61/49/64/1118614964.db2.gz SVTHVJWLAAXVHB-UHFFFAOYSA-N -1 3 366.265 4.281 20 0 FIADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000302924110 1118712899 /nfs/dbraw/zinc/71/28/99/1118712899.db2.gz BIDDBDCAEIFYFZ-UHFFFAOYSA-N -1 3 356.403 4.141 20 0 FIADHM CC(C)(C)n1cc(C(=O)Nc2ncccc2[O-])c(-c2ccccc2Cl)n1 ZINC000542168995 1118822208 /nfs/dbraw/zinc/82/22/08/1118822208.db2.gz VMQSMAHOTCVWGD-UHFFFAOYSA-N -1 3 370.840 4.311 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)c1 ZINC000542220483 1118850004 /nfs/dbraw/zinc/85/00/04/1118850004.db2.gz BOBIZINIXPTQEN-UHFFFAOYSA-N -1 3 358.507 4.158 20 0 FIADHM COc1cc(C(=O)NC2CCC(C)(c3ccccc3)CC2)cc(OC)c1[O-] ZINC000491941648 1118995812 /nfs/dbraw/zinc/99/58/12/1118995812.db2.gz WHTIAAGSWIASIK-UHFFFAOYSA-N -1 3 369.461 4.040 20 0 FIADHM COc1cc(C(=O)N2CCC[C@H]2CCC2CCCCC2)cc(OC)c1[O-] ZINC000492032990 1119006802 /nfs/dbraw/zinc/00/68/02/1119006802.db2.gz JWPGYHBBURVROO-KRWDZBQOSA-N -1 3 361.482 4.375 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000089357111 1119484679 /nfs/dbraw/zinc/48/46/79/1119484679.db2.gz NQZRIEKWGGMMQR-HXUWFJFHSA-N -1 3 366.461 4.451 20 0 FIADHM CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cc(F)ccc3[O-])ccc21 ZINC000152773286 1119499710 /nfs/dbraw/zinc/49/97/10/1119499710.db2.gz PYLGYPHAXFOMGJ-UHFFFAOYSA-N -1 3 372.396 4.081 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(SC(C)C)cc3)nc21 ZINC000494088510 1119539889 /nfs/dbraw/zinc/53/98/89/1119539889.db2.gz CUHIBQHHHZPERO-UHFFFAOYSA-N -1 3 369.446 4.102 20 0 FIADHM O=C([N-]c1ccc(F)c(F)c1F)c1cc(COc2ccccc2F)on1 ZINC000184877373 1119627505 /nfs/dbraw/zinc/62/75/05/1119627505.db2.gz LZCWWMOOHNDFIM-UHFFFAOYSA-N -1 3 366.270 4.062 20 0 FIADHM Cc1ccc(-c2cc(C(=O)[N-]c3csc(-c4ccncc4)n3)on2)cc1 ZINC000185436352 1119663066 /nfs/dbraw/zinc/66/30/66/1119663066.db2.gz ZNPAEKYOGCNOCL-UHFFFAOYSA-N -1 3 362.414 4.421 20 0 FIADHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2c(F)ccc(F)c2F)c(F)c1 ZINC000185844162 1119690537 /nfs/dbraw/zinc/69/05/37/1119690537.db2.gz YEELQKUHJWASTF-UHFFFAOYSA-N -1 3 369.314 4.451 20 0 FIADHM O=C(CCCc1cccc(C(F)(F)F)c1)NCc1ccc([O-])c(F)c1 ZINC000186178163 1119711747 /nfs/dbraw/zinc/71/17/47/1119711747.db2.gz FZCDJBDTJZUKFU-UHFFFAOYSA-N -1 3 355.331 4.189 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000188889064 1119803494 /nfs/dbraw/zinc/80/34/94/1119803494.db2.gz MQXWCCZPKFEIPA-UHFFFAOYSA-N -1 3 373.197 4.475 20 0 FIADHM Cn1nccc1C=C(Cl)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000031824035 1119822592 /nfs/dbraw/zinc/82/25/92/1119822592.db2.gz KGNOABOERPKAHD-ZROIWOOFSA-N -1 3 368.849 4.122 20 0 FIADHM O=C([N-]c1cc(F)cc(F)c1Br)c1c(F)ccc(F)c1F ZINC000189047868 1119823218 /nfs/dbraw/zinc/82/32/18/1119823218.db2.gz ANDVWAFOIPBGOZ-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000189081152 1119831817 /nfs/dbraw/zinc/83/18/17/1119831817.db2.gz WWIOTQSYNYJFCE-UHFFFAOYSA-N -1 3 362.311 4.020 20 0 FIADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494636372 1120012869 /nfs/dbraw/zinc/01/28/69/1120012869.db2.gz WMRUWVAXSSCJLU-UHFFFAOYSA-N -1 3 373.396 4.381 20 0 FIADHM O=c1nc(CSCCc2ccccn2)[n-]c2scc(-c3ccco3)c21 ZINC000192702109 1120076193 /nfs/dbraw/zinc/07/61/93/1120076193.db2.gz HTWSQCDYQZZGJV-UHFFFAOYSA-N -1 3 369.471 4.116 20 0 FIADHM C[C@@H](SCCn1cccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000465454883 1120365391 /nfs/dbraw/zinc/36/53/91/1120365391.db2.gz WTZFQYNIKBOOJJ-LLVKDONJSA-N -1 3 372.475 4.348 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Br)cc1Cl ZINC000229193126 1120471433 /nfs/dbraw/zinc/47/14/33/1120471433.db2.gz XNIHDNROTAYWDB-LKTVYLICSA-N -1 3 372.690 4.320 20 0 FIADHM O=C(CSc1ccc(F)cc1)Nc1ccc(Br)cc1[O-] ZINC000642323190 1120473487 /nfs/dbraw/zinc/47/34/87/1120473487.db2.gz UHYCMKOMPALKEQ-UHFFFAOYSA-N -1 3 356.216 4.025 20 0 FIADHM Cc1ccc(C)c([C@H]2CCCN2Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000761838156 1120530462 /nfs/dbraw/zinc/53/04/62/1120530462.db2.gz KBHGEGPCJNEABR-GOSISDBHSA-N -1 3 365.506 4.414 20 0 FIADHM CC[C@H](C)n1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccccc1 ZINC000761863824 1120558344 /nfs/dbraw/zinc/55/83/44/1120558344.db2.gz KUHUWNOMPBSKDZ-ZDUSSCGKSA-N -1 3 355.467 4.012 20 0 FIADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1ccccc1Br ZINC000914891325 1120627917 /nfs/dbraw/zinc/62/79/17/1120627917.db2.gz OEIPAEPAWMITCN-UHFFFAOYSA-N -1 3 364.220 4.032 20 0 FIADHM CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000914890280 1120627987 /nfs/dbraw/zinc/62/79/87/1120627987.db2.gz CUYBEBPFMFPLAD-JTQLQIEISA-N -1 3 360.460 4.135 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000914892252 1120629608 /nfs/dbraw/zinc/62/96/08/1120629608.db2.gz WEFINZMVSIKRJJ-GUYCJALGSA-N -1 3 370.474 4.288 20 0 FIADHM CCN(CC)Cc1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000915144201 1120837323 /nfs/dbraw/zinc/83/73/23/1120837323.db2.gz KFLAZYPWQDJXDY-UHFFFAOYSA-N -1 3 374.441 4.031 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c1 ZINC000915151873 1120842352 /nfs/dbraw/zinc/84/23/52/1120842352.db2.gz KEDHARNAUBLQRY-UHFFFAOYSA-N -1 3 360.385 4.439 20 0 FIADHM CC(C)(C)Sc1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cn1 ZINC000762343357 1120885191 /nfs/dbraw/zinc/88/51/91/1120885191.db2.gz TVEMVJFXIGTFDB-UHFFFAOYSA-N -1 3 371.418 4.124 20 0 FIADHM CN(Cc1cccc(Br)c1)C(=O)c1cc([O-])ccc1Cl ZINC000234318926 1120914539 /nfs/dbraw/zinc/91/45/39/1120914539.db2.gz QQCCWQZOJIPLKK-UHFFFAOYSA-N -1 3 354.631 4.080 20 0 FIADHM Cc1cccc(-c2noc(COC(=O)c3cc(Cl)c(Cl)[n-]3)n2)c1 ZINC000915385285 1120937231 /nfs/dbraw/zinc/93/72/31/1120937231.db2.gz ZGBWFNVKGFOFJV-UHFFFAOYSA-N -1 3 352.177 4.037 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1OC ZINC000032082605 1121100421 /nfs/dbraw/zinc/10/04/21/1121100421.db2.gz CTAALJBEEYDRKM-UHFFFAOYSA-N -1 3 363.479 4.012 20 0 FIADHM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cc([O-])c2ccccc2c1 ZINC000472164494 1121192909 /nfs/dbraw/zinc/19/29/09/1121192909.db2.gz XKBNBNMLPOVJHX-SFHVURJKSA-N -1 3 364.420 4.083 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-c2cnco2)cc1 ZINC000054777338 1121213759 /nfs/dbraw/zinc/21/37/59/1121213759.db2.gz YXXIXBTYQMUJQP-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM COc1ccc2c(c1)oc(C(=O)[N-]c1nncs1)c2-c1ccccc1 ZINC000055185463 1121231050 /nfs/dbraw/zinc/23/10/50/1121231050.db2.gz SEYRXIMVSKZSOG-UHFFFAOYSA-N -1 3 351.387 4.212 20 0 FIADHM CC(C)(CO)[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000472401485 1121234426 /nfs/dbraw/zinc/23/44/26/1121234426.db2.gz GUPVWYPCIKQYBU-FQEVSTJZSA-N -1 3 363.457 4.078 20 0 FIADHM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000472439967 1121241603 /nfs/dbraw/zinc/24/16/03/1121241603.db2.gz PSSJANQNXFRQHE-UHFFFAOYSA-N -1 3 365.458 4.144 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(CCc2ccccc2)CC1 ZINC000055453776 1121247491 /nfs/dbraw/zinc/24/74/91/1121247491.db2.gz OVIBEUMJYZVKIS-UHFFFAOYSA-N -1 3 360.457 4.013 20 0 FIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(-c2ccccc2F)o1 ZINC000046758104 1121297178 /nfs/dbraw/zinc/29/71/78/1121297178.db2.gz DCJRJCKQDKZOHY-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM CCc1cccc(Oc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cn2)c1 ZINC000763265542 1121309938 /nfs/dbraw/zinc/30/99/38/1121309938.db2.gz IZCKXOYCZYEGBF-GOSISDBHSA-N -1 3 357.410 4.016 20 0 FIADHM CCc1cccc(Oc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cn2)c1 ZINC000763265542 1121309950 /nfs/dbraw/zinc/30/99/50/1121309950.db2.gz IZCKXOYCZYEGBF-GOSISDBHSA-N -1 3 357.410 4.016 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cc2ccccc2o1 ZINC000058176312 1121391870 /nfs/dbraw/zinc/39/18/70/1121391870.db2.gz SZNYZRWNXZWZBO-JTQLQIEISA-N -1 3 353.802 4.265 20 0 FIADHM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000094541709 1121426268 /nfs/dbraw/zinc/42/62/68/1121426268.db2.gz YKSUWDLSDBWDKS-LLVKDONJSA-N -1 3 368.362 4.456 20 0 FIADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1scnc1C1CC1 ZINC000123338094 1121438336 /nfs/dbraw/zinc/43/83/36/1121438336.db2.gz VLLUPSCSJTVAKX-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM Cc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)c2ccccc2)cc1 ZINC000061206389 1121509683 /nfs/dbraw/zinc/50/96/83/1121509683.db2.gz CDHHNBYUMBIARG-QHCPKHFHSA-N -1 3 368.436 4.356 20 0 FIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1 ZINC000063147285 1121552711 /nfs/dbraw/zinc/55/27/11/1121552711.db2.gz RLTBRUOUWGGBIF-UHFFFAOYSA-N -1 3 361.463 4.259 20 0 FIADHM Cc1nc(-c2cccc(NC(=O)c3c[n-]c4ccccc4c3=O)c2)oc1C ZINC000065089620 1121883646 /nfs/dbraw/zinc/88/36/46/1121883646.db2.gz PQBOQLXIWQKESW-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM Cc1onc(-c2cccnc2)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000671780628 1121969081 /nfs/dbraw/zinc/96/90/81/1121969081.db2.gz HUTSNDIODKPTPB-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM CC[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000127540620 1122113700 /nfs/dbraw/zinc/11/37/00/1122113700.db2.gz PKHHAYCYSHQVNC-CQSZACIVSA-N -1 3 366.230 4.104 20 0 FIADHM O=C([N-]c1nnc(C(F)F)s1)c1cc2cc(Br)ccc2o1 ZINC000067551841 1122173901 /nfs/dbraw/zinc/17/39/01/1122173901.db2.gz YEUQHADVSDOSPC-UHFFFAOYSA-N -1 3 374.166 4.237 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000106284443 1122203039 /nfs/dbraw/zinc/20/30/39/1122203039.db2.gz CMAWUTPZJMARDA-UHFFFAOYSA-N -1 3 369.518 4.214 20 0 FIADHM O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128258750 1122213043 /nfs/dbraw/zinc/21/30/43/1122213043.db2.gz QJGKUSMGDIAOIV-UHFFFAOYSA-N -1 3 365.364 4.428 20 0 FIADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1cccc([O-])c1F ZINC000128259699 1122213168 /nfs/dbraw/zinc/21/31/68/1122213168.db2.gz JLSWEJJXYTWCOG-UHFFFAOYSA-N -1 3 351.377 4.276 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000497799669 1122417345 /nfs/dbraw/zinc/41/73/45/1122417345.db2.gz NDLIDAMJKGOPOK-ZHALLVOQSA-N -1 3 354.425 4.009 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000497799664 1122417435 /nfs/dbraw/zinc/41/74/35/1122417435.db2.gz NDLIDAMJKGOPOK-SCTDSRPQSA-N -1 3 354.425 4.009 20 0 FIADHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1 ZINC000917731474 1122420598 /nfs/dbraw/zinc/42/05/98/1122420598.db2.gz ARSQOICPNMWMFO-ZHACJKMWSA-N -1 3 371.380 4.349 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)cc2)cc1 ZINC000917751292 1122427440 /nfs/dbraw/zinc/42/74/40/1122427440.db2.gz WQGSJDLJQCCIQQ-CYBMUJFWSA-N -1 3 362.451 4.179 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C=C3CCCC3)cc2)cc1 ZINC000917892738 1122480460 /nfs/dbraw/zinc/48/04/60/1122480460.db2.gz HMDHJMQGOVYZFK-UHFFFAOYSA-N -1 3 370.474 4.235 20 0 FIADHM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc([O-])c2F)CC1=O ZINC000128989234 1122485003 /nfs/dbraw/zinc/48/50/03/1122485003.db2.gz WNULWYVCKLJEKD-KBPBESRZSA-N -1 3 370.424 4.036 20 0 FIADHM CCc1cc2c(CN[C@H](C)c3c(F)cccc3F)cc(=O)oc2cc1[O-] ZINC000917938198 1122492765 /nfs/dbraw/zinc/49/27/65/1122492765.db2.gz JOXSSESZIQQVRM-LLVKDONJSA-N -1 3 359.372 4.190 20 0 FIADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc([O-])c1F ZINC000129135273 1122542108 /nfs/dbraw/zinc/54/21/08/1122542108.db2.gz BOZCRDLAEVMDJY-ZDUSSCGKSA-N -1 3 366.392 4.328 20 0 FIADHM O=C(Nc1ccccc1)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129627162 1122652040 /nfs/dbraw/zinc/65/20/40/1122652040.db2.gz IBCJPVVJPUHMDL-UHFFFAOYSA-N -1 3 350.349 4.036 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1Br)c1ccccc1Cl ZINC000130507090 1122855685 /nfs/dbraw/zinc/85/56/85/1122855685.db2.gz OXSQVLOOKSPDPU-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM CC(C)=CCSc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000130998835 1122963368 /nfs/dbraw/zinc/96/33/68/1122963368.db2.gz VHXIGBOZSUAXOV-UHFFFAOYSA-N -1 3 365.462 4.177 20 0 FIADHM CC(C)=CCSc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000130998835 1122963371 /nfs/dbraw/zinc/96/33/71/1122963371.db2.gz VHXIGBOZSUAXOV-UHFFFAOYSA-N -1 3 365.462 4.177 20 0 FIADHM O=C([N-]OCCC(F)(F)F)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000155047157 1123078962 /nfs/dbraw/zinc/07/89/62/1123078962.db2.gz VRVINZOBASDWLE-NWDGAFQWSA-N -1 3 370.396 4.346 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000556867148 1123149904 /nfs/dbraw/zinc/14/99/04/1123149904.db2.gz ZQRGMBVZOXNLFO-KRWDZBQOSA-N -1 3 355.743 4.035 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000132826025 1123365819 /nfs/dbraw/zinc/36/58/19/1123365819.db2.gz YVZKCJQNHWHIEU-UHFFFAOYSA-N -1 3 371.864 4.343 20 0 FIADHM CC(C)c1ncc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)s1 ZINC000133054901 1123405646 /nfs/dbraw/zinc/40/56/46/1123405646.db2.gz YQVAWUCVWCAUKF-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM O=C([N-]Cc1csc(Br)c1)C(F)(F)c1ccc(F)cc1 ZINC000920843414 1123528128 /nfs/dbraw/zinc/52/81/28/1123528128.db2.gz CXVCKPXFBMJGTD-UHFFFAOYSA-N -1 3 364.186 4.058 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1sccc1OC(F)F ZINC000134113676 1123593658 /nfs/dbraw/zinc/59/36/58/1123593658.db2.gz MJGXWCMFIFXHST-UHFFFAOYSA-N -1 3 353.268 4.326 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc(-c2ccccn2)s1 ZINC000134145199 1123596561 /nfs/dbraw/zinc/59/65/61/1123596561.db2.gz ZDMWEUDECSZLFU-UHFFFAOYSA-N -1 3 365.336 4.182 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1sccc1NC(=O)c1ccncc1 ZINC000179640660 1124019271 /nfs/dbraw/zinc/01/92/71/1124019271.db2.gz BEBVGYPNTPMJGP-UHFFFAOYSA-N -1 3 373.821 4.007 20 0 FIADHM COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000616329164 1124288776 /nfs/dbraw/zinc/28/87/76/1124288776.db2.gz UNENZIKVGSHPIU-ROUUACIJSA-N -1 3 369.461 4.208 20 0 FIADHM Cc1cc(Oc2ccccc2)ccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000672102237 1124560224 /nfs/dbraw/zinc/56/02/24/1124560224.db2.gz KGHCCAZDHAOXPZ-AWEZNQCLSA-N -1 3 364.323 4.165 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1C ZINC000007055670 1124859893 /nfs/dbraw/zinc/85/98/93/1124859893.db2.gz IVQSNCAULGCCOJ-UHFFFAOYSA-N -1 3 359.447 4.146 20 0 FIADHM CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000007886581 1124939228 /nfs/dbraw/zinc/93/92/28/1124939228.db2.gz WNXSHSFAXVETIS-SFHVURJKSA-N -1 3 360.841 4.421 20 0 FIADHM CC(C)c1ccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c([O-])c1 ZINC000672506751 1125142043 /nfs/dbraw/zinc/14/20/43/1125142043.db2.gz DOQMISQSXZMTII-DOTOQJQBSA-N -1 3 371.502 4.157 20 0 FIADHM O=S(=O)([N-]Cc1ccccc1Cl)c1c(Cl)cccc1Cl ZINC000007375251 204294820 /nfs/dbraw/zinc/29/48/20/204294820.db2.gz LVOZALHUAPXNEQ-UHFFFAOYSA-N -1 3 350.654 4.125 20 0 FIADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1ccccc1[O-] ZINC000045621889 205123295 /nfs/dbraw/zinc/12/32/95/205123295.db2.gz QQABGDYRLZSQRY-UHFFFAOYSA-N -1 3 355.825 4.160 20 0 FIADHM Cn1c2ccccc2nc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000061126661 205285343 /nfs/dbraw/zinc/28/53/43/205285343.db2.gz RKZRCDFMWUTFJG-UHFFFAOYSA-N -1 3 362.414 4.261 20 0 FIADHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911149 205296374 /nfs/dbraw/zinc/29/63/74/205296374.db2.gz AUHAHUXKERVGEC-UHFFFAOYSA-N -1 3 353.724 4.299 20 0 FIADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c([O-])c1 ZINC000108090427 206027794 /nfs/dbraw/zinc/02/77/94/206027794.db2.gz VTVHIZMKWLXUNP-CQSZACIVSA-N -1 3 366.461 4.355 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2cc(Cl)ccc21)c1cccc2c1N=S=N2 ZINC000108923851 206041526 /nfs/dbraw/zinc/04/15/26/206041526.db2.gz HNXIZZWXKJSIFZ-GFCCVEGCSA-N -1 3 365.867 4.032 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(F)c1 ZINC000007428173 206244996 /nfs/dbraw/zinc/24/49/96/206244996.db2.gz DBXTZXCHQGCCFY-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CC1CCN(c2ccc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)cn2)CC1 ZINC000186305820 567893292 /nfs/dbraw/zinc/89/32/92/567893292.db2.gz GITFFQUYDZQONQ-MRXNPFEDSA-N -1 3 365.477 4.178 20 0 FIADHM CCCN1Cc2cccc(NC(=O)c3cc(Cl)c([O-])c(OCC)c3)c2C1 ZINC000186774246 567982224 /nfs/dbraw/zinc/98/22/24/567982224.db2.gz WWNIOJPTPHOKDR-UHFFFAOYSA-N -1 3 374.868 4.422 20 0 FIADHM O=C(CSCc1ccc(F)cc1)Nc1ccc(Br)cc1[O-] ZINC000603626491 568127285 /nfs/dbraw/zinc/12/72/85/568127285.db2.gz HAZBERAYLBNMNV-UHFFFAOYSA-N -1 3 370.243 4.166 20 0 FIADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000603615610 568128495 /nfs/dbraw/zinc/12/84/95/568128495.db2.gz AWOVEHLDYRVXIF-UHFFFAOYSA-N -1 3 374.393 4.198 20 0 FIADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)on1 ZINC000603946213 568186332 /nfs/dbraw/zinc/18/63/32/568186332.db2.gz JRAHMMHCAFJNLK-UHFFFAOYSA-N -1 3 362.495 4.324 20 0 FIADHM Cc1noc([C@H](C)SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000604049273 568201259 /nfs/dbraw/zinc/20/12/59/568201259.db2.gz JTQYCTPKCNKJKE-QMMMGPOBSA-N -1 3 374.447 4.343 20 0 FIADHM COc1ccc(CN(C(=O)Cc2ccc([O-])cc2Cl)[C@H](C)C2CC2)cc1 ZINC000647742529 568283647 /nfs/dbraw/zinc/28/36/47/568283647.db2.gz OJRUSRKKWPJZQT-CQSZACIVSA-N -1 3 373.880 4.424 20 0 FIADHM Cc1c(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)oc2ccccc12 ZINC000604406087 568296275 /nfs/dbraw/zinc/29/62/75/568296275.db2.gz RMPBTOONZDUYRQ-UHFFFAOYSA-N -1 3 353.802 4.012 20 0 FIADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000637057915 568333321 /nfs/dbraw/zinc/33/33/21/568333321.db2.gz SMFUHCLQORDGEE-SECBINFHSA-N -1 3 372.824 4.448 20 0 FIADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000604933218 568395448 /nfs/dbraw/zinc/39/54/48/568395448.db2.gz MVPNLZZGSXXQLN-PGBBXINNSA-N -1 3 368.506 4.133 20 0 FIADHM CCSc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000604971921 568464626 /nfs/dbraw/zinc/46/46/26/568464626.db2.gz DFAPPIHICNKYCA-UHFFFAOYSA-N -1 3 351.493 4.225 20 0 FIADHM O=S(=O)([N-]c1ccccc1F)c1ccc(Cl)c(Br)c1 ZINC000236211344 1120963268 /nfs/dbraw/zinc/96/32/68/1120963268.db2.gz IOSZRXZSSBVLTE-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCC[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000619324421 1125569277 /nfs/dbraw/zinc/56/92/77/1125569277.db2.gz TWSQNQCPKCPIOM-HIFRSBDPSA-N -1 3 354.454 4.105 20 0 FIADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1 ZINC000182754281 1125620806 /nfs/dbraw/zinc/62/08/06/1125620806.db2.gz XPKSHRHRJPTWDG-OAHLLOKOSA-N -1 3 355.825 4.039 20 0 FIADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1 ZINC000182783208 1125624638 /nfs/dbraw/zinc/62/46/38/1125624638.db2.gz GRKLKCOJLNYLCZ-SWLSCSKDSA-N -1 3 355.825 4.210 20 0 FIADHM O=c1nc(CN2C[C@@H]3CCC[C@H]3C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000152892463 1125677136 /nfs/dbraw/zinc/67/71/36/1125677136.db2.gz WRGPRYUDLMMGDC-KBPBESRZSA-N -1 3 369.465 4.023 20 0 FIADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001625775400 1079525356 /nfs/dbraw/zinc/52/53/56/1079525356.db2.gz KDYUEWVFMKTFKT-VMBJYNEYSA-N -1 3 372.435 4.072 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000654806289 1079634434 /nfs/dbraw/zinc/63/44/34/1079634434.db2.gz MYAPYEMTCNNHJS-KRWDZBQOSA-N -1 3 371.868 4.471 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2C)cc1 ZINC000683171639 1079804076 /nfs/dbraw/zinc/80/40/76/1079804076.db2.gz NWJFUSSTXZZUNI-QGZVFWFLSA-N -1 3 367.367 4.328 20 0 FIADHM CCOC[C@@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622692861 1079983408 /nfs/dbraw/zinc/98/34/08/1079983408.db2.gz PFJFSUHCMMKSDG-IBGZPJMESA-N -1 3 353.462 4.014 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000655269358 1080126590 /nfs/dbraw/zinc/12/65/90/1080126590.db2.gz JCUBQWLYKDNLJZ-UHFFFAOYSA-N -1 3 367.836 4.009 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C/C(Cl)=C\Cl)CC1 ZINC000255011955 1080298168 /nfs/dbraw/zinc/29/81/68/1080298168.db2.gz ZKSRDVKABNHNEC-XYOKQWHBSA-N -1 3 363.672 4.015 20 0 FIADHM COc1cccc(-c2nc(C)c(C(=O)Nc3ccc([O-])c(Cl)c3)[nH]2)c1 ZINC000182874100 1080352818 /nfs/dbraw/zinc/35/28/18/1080352818.db2.gz FPOLSSBCZXUZKY-UHFFFAOYSA-N -1 3 357.797 4.005 20 0 FIADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)Cc3cccc(F)c3)c2O1 ZINC000430380846 1080834528 /nfs/dbraw/zinc/83/45/28/1080834528.db2.gz YTQKOEYEDGSNJW-UHFFFAOYSA-N -1 3 369.845 4.135 20 0 FIADHM Cc1cccnc1NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430408804 1080926055 /nfs/dbraw/zinc/92/60/55/1080926055.db2.gz RAPCMGDHNWVMMD-UHFFFAOYSA-N -1 3 371.396 4.276 20 0 FIADHM CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3ncccc3[O-])c12 ZINC000302980105 1081020857 /nfs/dbraw/zinc/02/08/57/1081020857.db2.gz UXNULMUJMUVCTR-UHFFFAOYSA-N -1 3 366.421 4.042 20 0 FIADHM COCc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C(F)(F)F)c2)o1 ZINC000646960200 1081076782 /nfs/dbraw/zinc/07/67/82/1081076782.db2.gz SYLNHUCVULCWKB-HNNXBMFYSA-N -1 3 369.339 4.128 20 0 FIADHM CCCNc1ccc(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000646965234 1081079968 /nfs/dbraw/zinc/07/99/68/1081079968.db2.gz WZUZKKUIQSCBRB-UHFFFAOYSA-N -1 3 352.356 4.163 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)sc1C ZINC000683576355 1081144491 /nfs/dbraw/zinc/14/44/91/1081144491.db2.gz LDDBPDDYQJEWHK-UHFFFAOYSA-N -1 3 356.432 4.277 20 0 FIADHM CSCCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000610285877 1081229977 /nfs/dbraw/zinc/22/99/77/1081229977.db2.gz ZIVZFMYDYSAIPW-UHFFFAOYSA-N -1 3 366.899 4.020 20 0 FIADHM CSc1ccncc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000683707701 1081417937 /nfs/dbraw/zinc/41/79/37/1081417937.db2.gz BUXCCTBCVWGDTA-UHFFFAOYSA-N -1 3 363.291 4.052 20 0 FIADHM O=c1nc(COc2ccc(Cl)cc2)[n-]c2sc3c(c21)CCSC3 ZINC000063579831 1081520228 /nfs/dbraw/zinc/52/02/28/1081520228.db2.gz DIACQVIWFKROMQ-UHFFFAOYSA-N -1 3 364.879 4.006 20 0 FIADHM O=C([O-])c1coc(CN2CCC(c3ccc(Br)cc3)CC2)c1 ZINC000580206036 1081749286 /nfs/dbraw/zinc/74/92/86/1081749286.db2.gz MANPLMMPDBEMFA-UHFFFAOYSA-N -1 3 364.239 4.120 20 0 FIADHM Cn1nc(Br)c2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210854643 1081783954 /nfs/dbraw/zinc/78/39/54/1081783954.db2.gz JJOCOXWOIYMTNE-UHFFFAOYSA-N -1 3 352.619 4.438 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000622743632 1081875344 /nfs/dbraw/zinc/87/53/44/1081875344.db2.gz ZFMLBLWNRDPIAJ-FQEVSTJZSA-N -1 3 365.473 4.157 20 0 FIADHM O=C(CCc1ccc(Br)cc1F)Nc1cccc([O-])c1F ZINC000129724283 1081939934 /nfs/dbraw/zinc/93/99/34/1081939934.db2.gz ZMSYBINWRNDSIP-UHFFFAOYSA-N -1 3 356.166 4.004 20 0 FIADHM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000580528470 1081998648 /nfs/dbraw/zinc/99/86/48/1081998648.db2.gz NVHLZFVWCWRYES-MAUKXSAKSA-N -1 3 354.431 4.003 20 0 FIADHM Cc1ccc(CC(=O)[N-]OCc2coc(-c3cccc(Cl)c3)n2)cc1 ZINC000156839241 1082341325 /nfs/dbraw/zinc/34/13/25/1082341325.db2.gz JMPIXKXOEMVKLO-UHFFFAOYSA-N -1 3 356.809 4.094 20 0 FIADHM Cc1sc2[n-]c(COC[C@H]3CCCO3)nc(=O)c2c1-c1ccccc1 ZINC000656490192 1082475075 /nfs/dbraw/zinc/47/50/75/1082475075.db2.gz KKJHBDFKPIMQMK-CQSZACIVSA-N -1 3 356.447 4.068 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCSC2(CCC2)CC1 ZINC000581381568 1082507243 /nfs/dbraw/zinc/50/72/43/1082507243.db2.gz MPSCYCGLZIMOJW-CQSZACIVSA-N -1 3 360.306 4.481 20 0 FIADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1cc(Cl)ccc1Br ZINC000656568625 1082589125 /nfs/dbraw/zinc/58/91/25/1082589125.db2.gz JIFHGXBIQDGZIQ-RISCZKNCSA-N -1 3 374.706 4.472 20 0 FIADHM Cc1oc(-c2cccs2)nc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656769171 1082761038 /nfs/dbraw/zinc/76/10/38/1082761038.db2.gz YREXQTKQWXOCET-OFQRWUPVSA-N -1 3 360.479 4.177 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3cscc3-c3ccccc3)n[n-]2)o1 ZINC000581719107 1082839086 /nfs/dbraw/zinc/83/90/86/1082839086.db2.gz UIDZMPQMTAQRFZ-UHFFFAOYSA-N -1 3 350.403 4.354 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000008106636 1082878849 /nfs/dbraw/zinc/87/88/49/1082878849.db2.gz CWBMWDMPFUWCEV-UHFFFAOYSA-N -1 3 361.797 4.305 20 0 FIADHM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H]1C[C@@H](OCC)C1(C)C ZINC000581889580 1082977307 /nfs/dbraw/zinc/97/73/07/1082977307.db2.gz CBLAKIGIYNFCCT-DLBZAZTESA-N -1 3 353.890 4.454 20 0 FIADHM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000581911032 1083019815 /nfs/dbraw/zinc/01/98/15/1083019815.db2.gz CEVVANANMGFULG-UHFFFAOYSA-N -1 3 354.189 4.163 20 0 FIADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1ccc2cccnc2n1 ZINC001125543978 1083022268 /nfs/dbraw/zinc/02/22/68/1083022268.db2.gz SOJKQJPEHOSKFE-UHFFFAOYSA-N -1 3 367.821 4.054 20 0 FIADHM COC(=O)c1cnc(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)[n-]1 ZINC000187582837 1083243371 /nfs/dbraw/zinc/24/33/71/1083243371.db2.gz RRAFACDMJGTFJS-UHFFFAOYSA-N -1 3 372.446 4.027 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1c[nH]c2cccc(F)c21 ZINC000471904517 1083284173 /nfs/dbraw/zinc/28/41/73/1083284173.db2.gz DTGORNRKTDFDON-UHFFFAOYSA-N -1 3 359.209 4.415 20 0 FIADHM CC(C)(CNCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000276969352 1083495252 /nfs/dbraw/zinc/49/52/52/1083495252.db2.gz GTGRGKXOFKMLIR-UHFFFAOYSA-N -1 3 356.900 4.148 20 0 FIADHM CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179641566 1083581858 /nfs/dbraw/zinc/58/18/58/1083581858.db2.gz DKIJMIJXCTYPOT-UHFFFAOYSA-N -1 3 370.792 4.168 20 0 FIADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cc(OC)c1Cl ZINC000458222940 1083674731 /nfs/dbraw/zinc/67/47/31/1083674731.db2.gz OMOYZOIIZWPHPT-UHFFFAOYSA-N -1 3 367.804 4.163 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cc1[O-] ZINC000612442266 1083806275 /nfs/dbraw/zinc/80/62/75/1083806275.db2.gz PTTHJVSWODERCN-KRWDZBQOSA-N -1 3 364.401 4.103 20 0 FIADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000318445651 1083978135 /nfs/dbraw/zinc/97/81/35/1083978135.db2.gz FEUXHHBVGHMPFW-UHFFFAOYSA-N -1 3 363.241 4.254 20 0 FIADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000235822705 1084047970 /nfs/dbraw/zinc/04/79/70/1084047970.db2.gz KODMYOXRJPCKIK-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000548611514 1084288476 /nfs/dbraw/zinc/28/84/76/1084288476.db2.gz ZUIYZULJMWTTAR-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000277357444 1084310349 /nfs/dbraw/zinc/31/03/49/1084310349.db2.gz FNIXGGXHXKHEDA-UHFFFAOYSA-N -1 3 361.669 4.003 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)c1nc(C)cs1 ZINC000472114875 1084372108 /nfs/dbraw/zinc/37/21/08/1084372108.db2.gz ILMGDCOJEIAPKE-ZDUSSCGKSA-N -1 3 368.455 4.075 20 0 FIADHM O=C(COC(=O)c1cccc2[n-]c(C(F)F)nc21)C1CCC(F)(F)CC1 ZINC000924080238 1084433120 /nfs/dbraw/zinc/43/31/20/1084433120.db2.gz MZALDFBSQDHRRW-UHFFFAOYSA-N -1 3 372.318 4.052 20 0 FIADHM CC(C)Sc1ccccc1[N-]C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000549006389 1084471160 /nfs/dbraw/zinc/47/11/60/1084471160.db2.gz NJZNCQMBPCKLIZ-UHFFFAOYSA-N -1 3 373.478 4.185 20 0 FIADHM [O-]c1cccc(CN2CCc3ccc(Cl)cc3C2)c1Br ZINC001140547843 1084562042 /nfs/dbraw/zinc/56/20/42/1084562042.db2.gz RHCOXBLQKDQDEM-UHFFFAOYSA-N -1 3 352.659 4.366 20 0 FIADHM [O-]c1cccc(CN2CCSC[C@@H]2c2ccccc2)c1Br ZINC001140550131 1084581311 /nfs/dbraw/zinc/58/13/11/1084581311.db2.gz FOCJNEKUBOVULC-OAHLLOKOSA-N -1 3 364.308 4.445 20 0 FIADHM COc1cnc([C@@H]2CCCN2Cc2ccc(-c3ccsc3)cc2)[n-]c1=O ZINC000934273251 1084585507 /nfs/dbraw/zinc/58/55/07/1084585507.db2.gz MZHXCWDGSZLYNG-KRWDZBQOSA-N -1 3 367.474 4.256 20 0 FIADHM CCCO[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000582246968 1084793972 /nfs/dbraw/zinc/79/39/72/1084793972.db2.gz WYJIACOYPBPAEE-CJNGLKHVSA-N -1 3 360.281 4.400 20 0 FIADHM O=C([N-]c1c(F)cccc1Br)c1c(F)c(F)cc(F)c1F ZINC000175522917 1084960874 /nfs/dbraw/zinc/96/08/74/1084960874.db2.gz WPIPKXPWIRQMHX-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM O=C([N-][C@H](c1ccccc1)[C@H]1CCCO1)C(F)(F)c1cc(F)cc(F)c1 ZINC001125596588 1084965861 /nfs/dbraw/zinc/96/58/61/1084965861.db2.gz HQRLCQBFEOWHDK-IAGOWNOFSA-N -1 3 367.342 4.093 20 0 FIADHM CN(Cc1cccc(C(=O)[O-])c1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000582425527 1084993600 /nfs/dbraw/zinc/99/36/00/1084993600.db2.gz BBKPISKZGQITMD-QGZVFWFLSA-N -1 3 358.869 4.139 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1C ZINC000511132727 1085050556 /nfs/dbraw/zinc/05/05/56/1085050556.db2.gz VAZMAHLIJWVEDM-UHFFFAOYSA-N -1 3 374.506 4.103 20 0 FIADHM CSc1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)o1 ZINC000134271560 1085056879 /nfs/dbraw/zinc/05/68/79/1085056879.db2.gz DAOVFSHQMNQFJC-UHFFFAOYSA-N -1 3 351.840 4.426 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc(-c3ccccc3Cl)cs2)n1 ZINC000660751293 1085247760 /nfs/dbraw/zinc/24/77/60/1085247760.db2.gz KFWDFLVCZXAAID-UHFFFAOYSA-N -1 3 374.897 4.292 20 0 FIADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000651620922 1085248430 /nfs/dbraw/zinc/24/84/30/1085248430.db2.gz ZCOVOMQOXYABPF-DTWKUNHWSA-N -1 3 372.170 4.385 20 0 FIADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(C[C@H]1CCCO1)C(F)(F)F ZINC000651620924 1085249120 /nfs/dbraw/zinc/24/91/20/1085249120.db2.gz ZCOVOMQOXYABPF-RKDXNWHRSA-N -1 3 372.170 4.385 20 0 FIADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000511185173 1085423602 /nfs/dbraw/zinc/42/36/02/1085423602.db2.gz NSMQURRBVXZRCI-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000473124379 1085694307 /nfs/dbraw/zinc/69/43/07/1085694307.db2.gz CHAUQQRMKJEHOH-QGZVFWFLSA-N -1 3 355.331 4.124 20 0 FIADHM C[C@H](CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC001211672264 1085758755 /nfs/dbraw/zinc/75/87/55/1085758755.db2.gz VWQIDGRBUCKXBI-OAHLLOKOSA-N -1 3 372.515 4.282 20 0 FIADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Br)c2)C1 ZINC000566368644 1085793958 /nfs/dbraw/zinc/79/39/58/1085793958.db2.gz YOHMTARVDPQRGY-HNNXBMFYSA-N -1 3 360.679 4.035 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](c4ccccc4)C3)nc2)n1 ZINC000431494331 1085797972 /nfs/dbraw/zinc/79/79/72/1085797972.db2.gz KQVPICMOLCDRJR-SFHVURJKSA-N -1 3 360.461 4.191 20 0 FIADHM CCSc1nnc([N-]C(=O)c2nc(C)sc2-c2ccccc2)s1 ZINC000040326739 1085808086 /nfs/dbraw/zinc/80/80/86/1085808086.db2.gz YYXAVEVFPXJDQA-UHFFFAOYSA-N -1 3 362.505 4.334 20 0 FIADHM CCCc1nc(C)c(C(=O)Nc2ccc(Br)cc2[O-])s1 ZINC000048576575 1085904599 /nfs/dbraw/zinc/90/45/99/1085904599.db2.gz KEFDPMUPWHQVKQ-UHFFFAOYSA-N -1 3 355.257 4.124 20 0 FIADHM COC(=O)c1ccoc1CSc1nnc([N-]c2ccccc2F)s1 ZINC000024039484 1085981133 /nfs/dbraw/zinc/98/11/33/1085981133.db2.gz NWEIDAQCCALSMY-UHFFFAOYSA-N -1 3 365.411 4.093 20 0 FIADHM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)c1 ZINC000431513759 1086004793 /nfs/dbraw/zinc/00/47/93/1086004793.db2.gz WAOFFAGYSCGLDK-KRWDZBQOSA-N -1 3 361.825 4.040 20 0 FIADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1c(Cl)cccc1Cl ZINC000049335476 1086006669 /nfs/dbraw/zinc/00/66/69/1086006669.db2.gz ZMPKDIMVIGJKNB-UHFFFAOYSA-N -1 3 370.710 4.229 20 0 FIADHM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc([O-])ccc1Cl ZINC000431514573 1086018022 /nfs/dbraw/zinc/01/80/22/1086018022.db2.gz RGUXOQXEEWCIJZ-UHFFFAOYSA-N -1 3 355.825 4.374 20 0 FIADHM CCn1cc(CN(Cc2c3ccccc3sc2C(=O)[O-])C(C)C)cn1 ZINC000652507445 1086132026 /nfs/dbraw/zinc/13/20/26/1086132026.db2.gz DCCBEIVXJYHHOA-UHFFFAOYSA-N -1 3 357.479 4.227 20 0 FIADHM O=C(CCCCc1ccc(Br)cc1)[N-]OCCC(F)(F)F ZINC000162856646 1086331236 /nfs/dbraw/zinc/33/12/36/1086331236.db2.gz WKIONBZYMQPCMM-UHFFFAOYSA-N -1 3 368.193 4.162 20 0 FIADHM Cc1ccc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c([O-])c1 ZINC000184855030 1086363185 /nfs/dbraw/zinc/36/31/85/1086363185.db2.gz GUFNJOJRQJGWMG-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c1Cl ZINC001211572156 1086501917 /nfs/dbraw/zinc/50/19/17/1086501917.db2.gz GWOLCYHSTMUCGJ-UHFFFAOYSA-N -1 3 370.301 4.355 20 0 FIADHM C[C@@H]1CC[C@@]2(CCN(Cc3ccc(C(=O)[O-])cc3Br)C2)C1 ZINC000583386955 1086635600 /nfs/dbraw/zinc/63/56/00/1086635600.db2.gz SWAZEMYQTNYNKT-SJKOYZFVSA-N -1 3 352.272 4.159 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000161697407 1086666496 /nfs/dbraw/zinc/66/64/96/1086666496.db2.gz UAEGZJFBFNSYDJ-INIZCTEOSA-N -1 3 366.339 4.351 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000161697407 1086666501 /nfs/dbraw/zinc/66/65/01/1086666501.db2.gz UAEGZJFBFNSYDJ-INIZCTEOSA-N -1 3 366.339 4.351 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432476931 1086819934 /nfs/dbraw/zinc/81/99/34/1086819934.db2.gz LBEPOCIVFUQDBY-QGZVFWFLSA-N -1 3 364.367 4.246 20 0 FIADHM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)NCc1ccc([O-])c(F)c1 ZINC000432485682 1086839012 /nfs/dbraw/zinc/83/90/12/1086839012.db2.gz NIEAFTDQVQQUQE-CQSZACIVSA-N -1 3 370.346 4.067 20 0 FIADHM Cc1ccc(NC(=S)N[N-]C(=O)c2cccc(Cl)c2Cl)cc1C ZINC000006574533 1086846816 /nfs/dbraw/zinc/84/68/16/1086846816.db2.gz KJMIZTPVKPNURN-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM [O-]c1cccnc1CSc1nnc(-c2ccncc2)n1C1CCCCC1 ZINC000583764456 1086951165 /nfs/dbraw/zinc/95/11/65/1086951165.db2.gz JVMCZEWTXVLSMQ-UHFFFAOYSA-N -1 3 367.478 4.238 20 0 FIADHM CCc1cccc(C)c1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151575365 1087156648 /nfs/dbraw/zinc/15/66/48/1087156648.db2.gz JWACCXZUBJABIF-UHFFFAOYSA-N -1 3 363.255 4.347 20 0 FIADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000536212074 1087160628 /nfs/dbraw/zinc/16/06/28/1087160628.db2.gz TUYHFLOIVGIAHK-QWRGUYRKSA-N -1 3 352.253 4.267 20 0 FIADHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c3ccccc32)s1 ZINC001211610572 1087190999 /nfs/dbraw/zinc/19/09/99/1087190999.db2.gz BBVQXEQCTFIXDE-SNVBAGLBSA-N -1 3 366.895 4.298 20 0 FIADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H](C)c1cccc(O)c1 ZINC000080931223 1087283955 /nfs/dbraw/zinc/28/39/55/1087283955.db2.gz XYRBQVKIYFAIPI-CYBMUJFWSA-N -1 3 363.417 4.370 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCc4ccc(F)cc43)nc2)n1 ZINC000092976572 1087450358 /nfs/dbraw/zinc/45/03/58/1087450358.db2.gz XAABIAKJTSJDFT-SFHVURJKSA-N -1 3 364.424 4.023 20 0 FIADHM CCO[C@@H](CC)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093094747 1087451705 /nfs/dbraw/zinc/45/17/05/1087451705.db2.gz WWEJHXMIZBFDOT-INIZCTEOSA-N -1 3 356.447 4.423 20 0 FIADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000536218575 1087507189 /nfs/dbraw/zinc/50/71/89/1087507189.db2.gz COBCJNJYJJVOBT-UHFFFAOYSA-N -1 3 360.385 4.278 20 0 FIADHM Cc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)c1[O-] ZINC001143457623 1087536232 /nfs/dbraw/zinc/53/62/32/1087536232.db2.gz HTJZCFIGMKOUIW-UHFFFAOYSA-N -1 3 372.852 4.232 20 0 FIADHM CC(C)Oc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC000185685545 1087680037 /nfs/dbraw/zinc/68/00/37/1087680037.db2.gz OBMGWTPNIZYYNK-UVTDQMKNSA-N -1 3 356.809 4.378 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)s1 ZINC000149230893 1088318301 /nfs/dbraw/zinc/31/83/01/1088318301.db2.gz YHCLTDHQNGOKJF-UHFFFAOYSA-N -1 3 357.460 4.338 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)ccc1F ZINC000505300762 1088332357 /nfs/dbraw/zinc/33/23/57/1088332357.db2.gz YXDLZQRMSQIUTJ-UHFFFAOYSA-N -1 3 358.394 4.122 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c1 ZINC000505316227 1088347691 /nfs/dbraw/zinc/34/76/91/1088347691.db2.gz IEPHATZQSRWNAT-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)c(C)c1 ZINC000031378853 1088485937 /nfs/dbraw/zinc/48/59/37/1088485937.db2.gz HBWGVWBHGWIMNG-UHFFFAOYSA-N -1 3 351.446 4.053 20 0 FIADHM Cc1ccc([C@@H]2C[C@H](C)N(Cn3[n-]c(-c4ccccn4)nc3=S)C2)cc1 ZINC000782954309 1088735527 /nfs/dbraw/zinc/73/55/27/1088735527.db2.gz MUQWHTRTXUEKNX-DOTOQJQBSA-N -1 3 365.506 4.147 20 0 FIADHM [O-]C(=Cc1nc(-c2cnc3c(c2)CCCC3)no1)c1ccccc1Cl ZINC001211647090 1088753688 /nfs/dbraw/zinc/75/36/88/1088753688.db2.gz HAOOMIKFIRNIPD-UHFFFAOYSA-N -1 3 353.809 4.089 20 0 FIADHM [O-]C(=Cc1nc(-c2cc(F)c(F)cc2F)no1)c1ccccc1Cl ZINC001211647610 1088784468 /nfs/dbraw/zinc/78/44/68/1088784468.db2.gz YRHUXDUYBBNQJR-UHFFFAOYSA-N -1 3 352.699 4.233 20 0 FIADHM CN(Cc1ccc(C(=O)[O-])cc1Br)C[C@H]1CCc2ccccc21 ZINC000659803723 1088888636 /nfs/dbraw/zinc/88/86/36/1088888636.db2.gz NSLASDOMVIJXAR-OAHLLOKOSA-N -1 3 374.278 4.309 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659805641 1088893369 /nfs/dbraw/zinc/89/33/69/1088893369.db2.gz WTBIDWQAGBADCM-NXHRZFHOSA-N -1 3 370.276 4.012 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C4CCC4)C3)cc2)cc(=O)[n-]1 ZINC000664441518 1089001608 /nfs/dbraw/zinc/00/16/08/1089001608.db2.gz NBMCUCQFCAGJAV-KRWDZBQOSA-N -1 3 366.465 4.202 20 0 FIADHM O=C(COc1cccc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000514820710 1089499238 /nfs/dbraw/zinc/49/92/38/1089499238.db2.gz AZMBZDPBCNSGEH-UHFFFAOYSA-N -1 3 372.218 4.325 20 0 FIADHM O=C(CCSc1ccccc1F)Nc1ccc(Br)cc1[O-] ZINC000514820310 1089499379 /nfs/dbraw/zinc/49/93/79/1089499379.db2.gz KMSMHWZZQJGMED-UHFFFAOYSA-N -1 3 370.243 4.415 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1csc2c1CCCC2 ZINC000514820734 1089499572 /nfs/dbraw/zinc/49/95/72/1089499572.db2.gz BYYKEMWLKJFAEE-UHFFFAOYSA-N -1 3 352.253 4.347 20 0 FIADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1cc(Cl)ccc1[O-] ZINC000515316429 1089966418 /nfs/dbraw/zinc/96/64/18/1089966418.db2.gz YCMYZFJVWHWDGK-UHFFFAOYSA-N -1 3 359.731 4.168 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3ccsc3)nc2)n1 ZINC000377973249 1089967740 /nfs/dbraw/zinc/96/77/40/1089967740.db2.gz AYPVZRPRKDHNQQ-INIZCTEOSA-N -1 3 352.463 4.210 20 0 FIADHM Cc1ccc(CN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)o1 ZINC001167733944 1090262790 /nfs/dbraw/zinc/26/27/90/1090262790.db2.gz GICOTHUJUZHQHU-UHFFFAOYSA-N -1 3 353.397 4.307 20 0 FIADHM O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1CCCc2c(=O)[n-]cnc21 ZINC000893205127 1090303164 /nfs/dbraw/zinc/30/31/64/1090303164.db2.gz VUYYENQAJYWNCC-JKSUJKDBSA-N -1 3 371.868 4.089 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2csc(-c3ccc(OC)cc3)n2)s1 ZINC000019358181 1090566290 /nfs/dbraw/zinc/56/62/90/1090566290.db2.gz ROKOREOTTKFOAM-UHFFFAOYSA-N -1 3 374.491 4.265 20 0 FIADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000584637918 1090660650 /nfs/dbraw/zinc/66/06/50/1090660650.db2.gz FZXUQNATPYZUJH-FZKQIMNGSA-N -1 3 365.807 4.309 20 0 FIADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000417541097 1090918332 /nfs/dbraw/zinc/91/83/32/1090918332.db2.gz XVLHHKUMZPBTJG-INIZCTEOSA-N -1 3 361.463 4.009 20 0 FIADHM Cc1cc(C)cc(C[C@@H](NCc2csc(Cl)c2Cl)C(=O)[O-])c1 ZINC000417563905 1090928221 /nfs/dbraw/zinc/92/82/21/1090928221.db2.gz DTRNPVXHSWOFFF-CYBMUJFWSA-N -1 3 358.290 4.457 20 0 FIADHM CCCCOc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417630312 1090945498 /nfs/dbraw/zinc/94/54/98/1090945498.db2.gz XYJUKBJZYJGVHQ-RTBURBONSA-N -1 3 369.461 4.277 20 0 FIADHM CC(C)=CCSC[C@@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417625778 1090947411 /nfs/dbraw/zinc/94/74/11/1090947411.db2.gz MTFPEOZFZUOEGX-GFCCVEGCSA-N -1 3 366.285 4.375 20 0 FIADHM O=C([O-])C[C@@H](CNCc1ccccc1OCc1ccccc1)C(F)(F)F ZINC000417626797 1090948213 /nfs/dbraw/zinc/94/82/13/1090948213.db2.gz NQINKBSAYRIINP-INIZCTEOSA-N -1 3 367.367 4.008 20 0 FIADHM Cc1ccc(C[C@H](NCc2cc(Cl)sc2Cl)C(=O)[O-])cc1C ZINC000417647043 1090949614 /nfs/dbraw/zinc/94/96/14/1090949614.db2.gz DTIFAPGKGNHZIQ-ZDUSSCGKSA-N -1 3 358.290 4.457 20 0 FIADHM CCC[C@@H](CCCCNCc1cc(F)ccc1Br)C(=O)[O-] ZINC000417642018 1090952657 /nfs/dbraw/zinc/95/26/57/1090952657.db2.gz SUCUVJYNSNTBCM-LBPRGKRZSA-N -1 3 360.267 4.349 20 0 FIADHM COc1cccc2c(CNCc3ccc(C(=O)[O-])c(C4CC4)n3)cccc12 ZINC000417703594 1090965298 /nfs/dbraw/zinc/96/52/98/1090965298.db2.gz LMISIIOOAWRDNO-UHFFFAOYSA-N -1 3 362.429 4.109 20 0 FIADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cc(=O)c3ccccc3[n-]1)CC2 ZINC000511649305 1091012736 /nfs/dbraw/zinc/01/27/36/1091012736.db2.gz OIOOKZOSINUONN-UHFFFAOYSA-N -1 3 360.457 4.024 20 0 FIADHM O=c1nc(C(Cl)=Cc2cocn2)[n-]c2sc(-c3ccccc3)cc21 ZINC000191250437 1091059428 /nfs/dbraw/zinc/05/94/28/1091059428.db2.gz QKKWWJPRRFKPMM-AWNIVKPZSA-N -1 3 355.806 4.377 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000500246799 1091141929 /nfs/dbraw/zinc/14/19/29/1091141929.db2.gz SHGRKUMILKCFHE-UHFFFAOYSA-N -1 3 373.302 4.123 20 0 FIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)/C=C\SCc3ccco3)c2)n1 ZINC000759845044 1091308446 /nfs/dbraw/zinc/30/84/46/1091308446.db2.gz ULBIGMQKGHXSOB-CLFYSBASSA-N -1 3 368.414 4.103 20 0 FIADHM C[C@H]([N-]C(=O)C(F)F)c1nc(-c2ccc(Br)cc2)cs1 ZINC000194762330 1091413711 /nfs/dbraw/zinc/41/37/11/1091413711.db2.gz FPJMWMNGVXADTN-ZETCQYMHSA-N -1 3 361.211 4.015 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000432053910 1091583266 /nfs/dbraw/zinc/58/32/66/1091583266.db2.gz IMRWMRRYSBHIJB-UHFFFAOYSA-N -1 3 374.849 4.200 20 0 FIADHM CCSc1cccc(F)c1[N-]C(=O)c1cc(C)n(C2CCOCC2)n1 ZINC000637288594 1091784974 /nfs/dbraw/zinc/78/49/74/1091784974.db2.gz WRFQNXSITSDGDD-UHFFFAOYSA-N -1 3 363.458 4.046 20 0 FIADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000436761127 1091837136 /nfs/dbraw/zinc/83/71/36/1091837136.db2.gz WEINIUJGWHJNLX-VIFPVBQESA-N -1 3 368.216 4.261 20 0 FIADHM CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000432707828 1092163695 /nfs/dbraw/zinc/16/36/95/1092163695.db2.gz LJWRKZDWJMIYNU-TWGQIWQCSA-N -1 3 353.205 4.226 20 0 FIADHM CC1(C)Cc2cc(C=C(Cc3ccccc3)c3nccc(=O)[n-]3)ccc2O1 ZINC000432711518 1092170056 /nfs/dbraw/zinc/17/00/56/1092170056.db2.gz UOZDZQVYCFMEGJ-AQTBWJFISA-N -1 3 358.441 4.267 20 0 FIADHM CCCCS[C@H](C)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000500567936 1092235908 /nfs/dbraw/zinc/23/59/08/1092235908.db2.gz IYVNFKLHAHGRSU-LLVKDONJSA-N -1 3 367.902 4.021 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c(C)c1 ZINC000432768858 1092307267 /nfs/dbraw/zinc/30/72/67/1092307267.db2.gz AFLPXRKFWAQVSN-UHFFFAOYSA-N -1 3 369.870 4.165 20 0 FIADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000432800257 1092404702 /nfs/dbraw/zinc/40/47/02/1092404702.db2.gz LQRYXKVOEFRCTP-GFCCVEGCSA-N -1 3 360.841 4.135 20 0 FIADHM COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC001143531798 1092675852 /nfs/dbraw/zinc/67/58/52/1092675852.db2.gz OFYIFJDJSZWHQZ-UHFFFAOYSA-N -1 3 372.421 4.309 20 0 FIADHM Cc1ccc2snc(C(=O)Nc3ccc(Br)cc3[O-])c2c1 ZINC000549741548 1092731184 /nfs/dbraw/zinc/73/11/84/1092731184.db2.gz OGUXJKDFPCBEHM-UHFFFAOYSA-N -1 3 363.236 4.325 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC000512597189 1092977979 /nfs/dbraw/zinc/97/79/79/1092977979.db2.gz JWSJOHQNLLKRBE-UHFFFAOYSA-N -1 3 366.442 4.340 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc2ccoc2c1 ZINC000443359180 1093075862 /nfs/dbraw/zinc/07/58/62/1093075862.db2.gz HZGDHTXCBGJICU-UHFFFAOYSA-N -1 3 361.195 4.223 20 0 FIADHM CC(C)N(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C1CC1 ZINC000411177956 1093147657 /nfs/dbraw/zinc/14/76/57/1093147657.db2.gz WPBXPXBJNLAGQE-UHFFFAOYSA-N -1 3 357.454 4.164 20 0 FIADHM O=C([O-])CCC1CCN(Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000665343925 1093220378 /nfs/dbraw/zinc/22/03/78/1093220378.db2.gz ZWZOCRUUEWVNMK-UHFFFAOYSA-N -1 3 358.507 4.005 20 0 FIADHM CC(C)CSCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000443520708 1093233302 /nfs/dbraw/zinc/23/33/02/1093233302.db2.gz SEIDPRYLBKUWBM-UHFFFAOYSA-N -1 3 374.535 4.393 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)o1 ZINC000433097632 1093251094 /nfs/dbraw/zinc/25/10/94/1093251094.db2.gz OGVXQPWZZSXUTE-UHFFFAOYSA-N -1 3 367.453 4.270 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c([O-])c1C ZINC000051324637 1093295888 /nfs/dbraw/zinc/29/58/88/1093295888.db2.gz NLPSOJUCTRYTFY-UHFFFAOYSA-N -1 3 350.374 4.107 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCOc3c(Br)cccc32)c1Cl ZINC000645177983 1093370438 /nfs/dbraw/zinc/37/04/38/1093370438.db2.gz TXKAMJFGZKDMAV-ZDUSSCGKSA-N -1 3 368.658 4.422 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)s1 ZINC000512814676 1093385389 /nfs/dbraw/zinc/38/53/89/1093385389.db2.gz OBOISKAEAYIKMX-SNVBAGLBSA-N -1 3 363.426 4.369 20 0 FIADHM Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c(C(F)(F)F)o1 ZINC000474136648 1093416866 /nfs/dbraw/zinc/41/68/66/1093416866.db2.gz OJAMSRPAGFWIGN-UHFFFAOYSA-N -1 3 370.718 4.298 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCc2ccccc2)[nH][n-]1 ZINC000512846232 1093445090 /nfs/dbraw/zinc/44/50/90/1093445090.db2.gz ODKMBVSYMBPGJS-UHFFFAOYSA-N -1 3 369.852 4.122 20 0 FIADHM CSc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000029047586 1093454926 /nfs/dbraw/zinc/45/49/26/1093454926.db2.gz MIZZFAWNYMFMPQ-UHFFFAOYSA-N -1 3 351.493 4.244 20 0 FIADHM O=C(NCC1(Cc2ccccc2)CCCCC1)c1c[n-]c2ccccc2c1=O ZINC000474171882 1093536495 /nfs/dbraw/zinc/53/64/95/1093536495.db2.gz SJTIIZVMOJPPHE-UHFFFAOYSA-N -1 3 374.484 4.451 20 0 FIADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2nc(-c3ccsc3)ns2)s1 ZINC000114273454 1093547354 /nfs/dbraw/zinc/54/73/54/1093547354.db2.gz JZUIGQOWKZQYPA-UHFFFAOYSA-N -1 3 373.431 4.490 20 0 FIADHM CC(C)(C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C1CCC1 ZINC001211883500 1093573949 /nfs/dbraw/zinc/57/39/49/1093573949.db2.gz LGVBTJOYTRMXFF-UHFFFAOYSA-N -1 3 358.916 4.054 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(F)ccc3OC(C)C)c[n-]c12 ZINC000433343567 1093597439 /nfs/dbraw/zinc/59/74/39/1093597439.db2.gz OCGMOXUKVIRTHS-UHFFFAOYSA-N -1 3 372.371 4.154 20 0 FIADHM COc1cccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)c1[O-] ZINC000327303967 1093633269 /nfs/dbraw/zinc/63/32/69/1093633269.db2.gz FDYOQTUILBMYST-UHFFFAOYSA-N -1 3 350.296 4.060 20 0 FIADHM [O-]c1ccc(F)c(CNCc2cccnc2Oc2cccc(F)c2)c1F ZINC000509892235 1093696150 /nfs/dbraw/zinc/69/61/50/1093696150.db2.gz BOJMMKJKVWAHFJ-UHFFFAOYSA-N -1 3 360.335 4.287 20 0 FIADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCCCC[C@H]1c1ccco1 ZINC000895871494 1093746277 /nfs/dbraw/zinc/74/62/77/1093746277.db2.gz XSNQWRPDUDIJQN-KRWDZBQOSA-N -1 3 372.371 4.157 20 0 FIADHM O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1c[n-]c2ccccc2c1=O ZINC000191725939 1093760298 /nfs/dbraw/zinc/76/02/98/1093760298.db2.gz ZOILKUBVRFORDV-UHFFFAOYSA-N -1 3 365.389 4.043 20 0 FIADHM Cc1ccc([C@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)c(C)c1 ZINC000473516675 1093907380 /nfs/dbraw/zinc/90/73/80/1093907380.db2.gz DFTIDNASOWYWBZ-SFHVURJKSA-N -1 3 355.453 4.487 20 0 FIADHM O=C(CCCc1csc2ccccc12)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647797604 1093914414 /nfs/dbraw/zinc/91/44/14/1093914414.db2.gz USCHIULMTCUAID-UHFFFAOYSA-N -1 3 351.431 4.445 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=S)NC1CCN(C)CC1 ZINC000729163135 1093937728 /nfs/dbraw/zinc/93/77/28/1093937728.db2.gz UNSGJNOYDPBPPS-UHFFFAOYSA-N -1 3 357.976 4.221 20 0 FIADHM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1ccc(Cl)s1 ZINC000052782399 1093954600 /nfs/dbraw/zinc/95/46/00/1093954600.db2.gz XXOYEMXMNKJIRR-HNNXBMFYSA-N -1 3 353.852 4.062 20 0 FIADHM Cc1cc(-c2noc([C@@H](C)NCc3c(F)ccc([O-])c3F)n2)ccc1F ZINC000513166774 1093971624 /nfs/dbraw/zinc/97/16/24/1093971624.db2.gz MQSGDMKNGCTGSU-SNVBAGLBSA-N -1 3 363.339 4.019 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1 ZINC000513364830 1094081746 /nfs/dbraw/zinc/08/17/46/1094081746.db2.gz PISXNCFINIGNLZ-UHFFFAOYSA-N -1 3 371.405 4.186 20 0 FIADHM CO[C@@]1(C)CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000280651907 1094381736 /nfs/dbraw/zinc/38/17/36/1094381736.db2.gz ZFKGFGYYMNIYDE-IBGZPJMESA-N -1 3 373.478 4.048 20 0 FIADHM CCO[C@@H](C)c1nc(CSCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000419432620 1094420299 /nfs/dbraw/zinc/42/02/99/1094420299.db2.gz YIBHMOZAPCCWNP-JTQLQIEISA-N -1 3 351.497 4.047 20 0 FIADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccc(Cl)c1 ZINC000102686213 1094669172 /nfs/dbraw/zinc/66/91/72/1094669172.db2.gz ZWDVGSXTKIITMO-LLVKDONJSA-N -1 3 353.809 4.174 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c(C)c1 ZINC000501865041 1094988396 /nfs/dbraw/zinc/98/83/96/1094988396.db2.gz UYDZHDBJJDEBAT-UHFFFAOYSA-N -1 3 374.506 4.185 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000103057869 1095944558 /nfs/dbraw/zinc/94/45/58/1095944558.db2.gz LKFDVBIOZWVXKW-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccco1)Cc1cccs1 ZINC000502960250 1095986344 /nfs/dbraw/zinc/98/63/44/1095986344.db2.gz BZMWXPIWHUDUQW-UHFFFAOYSA-N -1 3 364.426 4.025 20 0 FIADHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000647920632 1096165287 /nfs/dbraw/zinc/16/52/87/1096165287.db2.gz ZAVBSWQNSFEATK-QWHCGFSZSA-N -1 3 371.808 4.058 20 0 FIADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Br ZINC000414684677 1096465523 /nfs/dbraw/zinc/46/55/23/1096465523.db2.gz RHIGMRKMYQALNN-SECBINFHSA-N -1 3 368.193 4.153 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1Cl ZINC000515695971 1098858971 /nfs/dbraw/zinc/85/89/71/1098858971.db2.gz SWTMZLJHMOUOKB-UHFFFAOYSA-N -1 3 369.870 4.328 20 0 FIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000515751184 1098907408 /nfs/dbraw/zinc/90/74/08/1098907408.db2.gz BBTADKXXHUTFCD-AWEZNQCLSA-N -1 3 363.788 4.230 20 0 FIADHM COc1ccc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c([O-])c1 ZINC000436492456 1099054372 /nfs/dbraw/zinc/05/43/72/1099054372.db2.gz ROZCMAMUJJJZDC-GFCCVEGCSA-N -1 3 363.816 4.041 20 0 FIADHM CCOc1ccc(-c2csc(NC(=O)c3cccc(OC)c3[O-])n2)cc1 ZINC000436508747 1099069359 /nfs/dbraw/zinc/06/93/59/1099069359.db2.gz DUGGYJOKMWWCCX-UHFFFAOYSA-N -1 3 370.430 4.175 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c([O-])c1 ZINC000436521415 1099078139 /nfs/dbraw/zinc/07/81/39/1099078139.db2.gz MNIYTBRXNABGGB-UHFFFAOYSA-N -1 3 371.330 4.370 20 0 FIADHM COc1cccc(-c2nc(C3(c4ccccc4F)CCCC3)no2)c1[O-] ZINC000436522068 1099079135 /nfs/dbraw/zinc/07/91/35/1099079135.db2.gz QYEVRXZEXMDXIS-UHFFFAOYSA-N -1 3 354.381 4.450 20 0 FIADHM CCN(Cc1ccncc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436530175 1099085889 /nfs/dbraw/zinc/08/58/89/1099085889.db2.gz BIBLJJTZCGKDSJ-UHFFFAOYSA-N -1 3 360.457 4.235 20 0 FIADHM COCc1ccccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436533467 1099089257 /nfs/dbraw/zinc/08/92/57/1099089257.db2.gz ZNKWVVODYWCVSH-UHFFFAOYSA-N -1 3 363.413 4.370 20 0 FIADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000436535865 1099090583 /nfs/dbraw/zinc/09/05/83/1099090583.db2.gz UFKRHXODKSKVLB-GFCCVEGCSA-N -1 3 353.340 4.133 20 0 FIADHM CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000436547985 1099094133 /nfs/dbraw/zinc/09/41/33/1099094133.db2.gz LAECDZTXMSNXRR-QGZVFWFLSA-N -1 3 370.880 4.021 20 0 FIADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000515994093 1099104226 /nfs/dbraw/zinc/10/42/26/1099104226.db2.gz BOEIDJXHIZCDSE-JTQLQIEISA-N -1 3 352.203 4.426 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(COCCOC(C)C)c2)c([O-])c1C ZINC000436540124 1099107584 /nfs/dbraw/zinc/10/75/84/1099107584.db2.gz NRQSIQHHOFKUHH-UHFFFAOYSA-N -1 3 357.450 4.203 20 0 FIADHM CCn1nc(C)c(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c1C ZINC000436590088 1099137448 /nfs/dbraw/zinc/13/74/48/1099137448.db2.gz LYHDAWXVMRLWKB-UHFFFAOYSA-N -1 3 363.461 4.263 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c([O-])c1C ZINC000436605688 1099140091 /nfs/dbraw/zinc/14/00/91/1099140091.db2.gz PTXNJVJAWMCTDQ-UHFFFAOYSA-N -1 3 359.429 4.177 20 0 FIADHM Cc1ccc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c([O-])c1 ZINC000436625746 1099153616 /nfs/dbraw/zinc/15/36/16/1099153616.db2.gz MYECULAXUWHLBC-GOSISDBHSA-N -1 3 367.342 4.430 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c([O-])c1 ZINC000436634068 1099162167 /nfs/dbraw/zinc/16/21/67/1099162167.db2.gz KABDGSXGVVSTAP-UHFFFAOYSA-N -1 3 358.869 4.131 20 0 FIADHM CCOc1cc(-c2nc3cc(Br)cnc3[nH]2)cc(Cl)c1[O-] ZINC000436669833 1099200495 /nfs/dbraw/zinc/20/04/95/1099200495.db2.gz BMFCGXHNGIXGTE-UHFFFAOYSA-N -1 3 368.618 4.145 20 0 FIADHM C[C@H](c1ccsc1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436661952 1099208989 /nfs/dbraw/zinc/20/89/89/1099208989.db2.gz XTGFOLRBLFWVAQ-OAHLLOKOSA-N -1 3 366.486 4.126 20 0 FIADHM CC[C@@H](C)N[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccco1 ZINC000436712540 1099244899 /nfs/dbraw/zinc/24/48/99/1099244899.db2.gz GJPUCVKNZUXBLC-ZWNOBZJWSA-N -1 3 371.264 4.151 20 0 FIADHM C[C@@H]1CSCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436731204 1099269076 /nfs/dbraw/zinc/26/90/76/1099269076.db2.gz BAYVRLRFIJFOHS-INIZCTEOSA-N -1 3 355.503 4.003 20 0 FIADHM COCCN(Cc1ccco1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436760141 1099274042 /nfs/dbraw/zinc/27/40/42/1099274042.db2.gz MRYBPJSJHANJDW-UHFFFAOYSA-N -1 3 367.401 4.066 20 0 FIADHM [O-]c1ccccc1-c1nc(CSc2nc(-c3ccc(F)cc3)c[nH]2)no1 ZINC000436771889 1099292430 /nfs/dbraw/zinc/29/24/30/1099292430.db2.gz BOODJMKVMKJPED-UHFFFAOYSA-N -1 3 368.393 4.264 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc(F)c[nH]1 ZINC000436778012 1099298996 /nfs/dbraw/zinc/29/89/96/1099298996.db2.gz PGXWWPQFEKLYDC-UHFFFAOYSA-N -1 3 353.378 4.388 20 0 FIADHM CCCCN(Cc1ccccc1Cl)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436784725 1099316798 /nfs/dbraw/zinc/31/67/98/1099316798.db2.gz BLRGPNVUSOIPFN-UHFFFAOYSA-N -1 3 374.868 4.447 20 0 FIADHM CCCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)c1ccccc1 ZINC000436784500 1099316944 /nfs/dbraw/zinc/31/69/44/1099316944.db2.gz XPZMOYNJQLEEPD-HNNXBMFYSA-N -1 3 357.450 4.413 20 0 FIADHM [O-]c1ccc(Nc2ncc(Br)cc2OC(F)F)c(F)c1F ZINC001211999918 1099343040 /nfs/dbraw/zinc/34/30/40/1099343040.db2.gz CDQXBJKVAJLTHZ-UHFFFAOYSA-N -1 3 367.096 4.173 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000436821909 1099348832 /nfs/dbraw/zinc/34/88/32/1099348832.db2.gz QXZVTKDKTPPWEC-IBGZPJMESA-N -1 3 367.445 4.216 20 0 FIADHM CCc1ccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c([O-])c1 ZINC000436820976 1099349256 /nfs/dbraw/zinc/34/92/56/1099349256.db2.gz NHWAMKXSFALRCJ-UHFFFAOYSA-N -1 3 360.457 4.235 20 0 FIADHM CCc1ccc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c([O-])c1 ZINC000436820886 1099349438 /nfs/dbraw/zinc/34/94/38/1099349438.db2.gz UAJWBMHZUWWNHZ-UHFFFAOYSA-N -1 3 353.462 4.255 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@@H]1c1cc[nH]n1 ZINC000436855714 1099356662 /nfs/dbraw/zinc/35/66/62/1099356662.db2.gz QKOBEJXMXDQLIB-LJQANCHMSA-N -1 3 363.417 4.275 20 0 FIADHM CCc1ccc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([O-])c1 ZINC000436841368 1099359620 /nfs/dbraw/zinc/35/96/20/1099359620.db2.gz ZEWWZRKANJGQCQ-HNNXBMFYSA-N -1 3 370.518 4.310 20 0 FIADHM C[C@H](c1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436846025 1099363199 /nfs/dbraw/zinc/36/31/99/1099363199.db2.gz VJQHNOMIPQKUJM-QGZVFWFLSA-N -1 3 360.457 4.064 20 0 FIADHM CC(=O)c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1[O-] ZINC000436846547 1099365774 /nfs/dbraw/zinc/36/57/74/1099365774.db2.gz HQQFRGGUGKTKOY-UHFFFAOYSA-N -1 3 359.425 4.157 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccc(Br)s1 ZINC000436852410 1099368123 /nfs/dbraw/zinc/36/81/23/1099368123.db2.gz OKNRYTXGMYIUPK-NSHDSACASA-N -1 3 352.253 4.194 20 0 FIADHM [O-]c1ccc(Nc2cc(-c3cccc(Br)n3)no2)c(F)c1F ZINC001212005364 1099369721 /nfs/dbraw/zinc/36/97/21/1099369721.db2.gz IQHQLPGYZMSHHI-UHFFFAOYSA-N -1 3 368.137 4.227 20 0 FIADHM COC(=O)c1cc(Br)cc(Nc2ccc([O-])c(F)c2F)c1C ZINC001212011124 1099376663 /nfs/dbraw/zinc/37/66/63/1099376663.db2.gz TXXZDBVONJVRPJ-UHFFFAOYSA-N -1 3 372.165 4.272 20 0 FIADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc(Cl)cc1F ZINC001212018336 1099378386 /nfs/dbraw/zinc/37/83/86/1099378386.db2.gz PKBNQHZJKMIUIE-UMSPYCQHSA-N -1 3 374.264 4.357 20 0 FIADHM CO[C@]1(C)CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436906306 1099415286 /nfs/dbraw/zinc/41/52/86/1099415286.db2.gz QCSGTBTURLFAKQ-OAQYLSRUSA-N -1 3 355.434 4.216 20 0 FIADHM COCCOc1cccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436910803 1099417589 /nfs/dbraw/zinc/41/75/89/1099417589.db2.gz DNZFZIMIUKYAQN-UHFFFAOYSA-N -1 3 354.406 4.258 20 0 FIADHM Cc1ccc(-c2nc(Cc3cc(Br)ccc3F)no2)c([O-])c1 ZINC000436900984 1099426277 /nfs/dbraw/zinc/42/62/77/1099426277.db2.gz KKJXJIIIBZJVNG-UHFFFAOYSA-N -1 3 363.186 4.243 20 0 FIADHM Cc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436901221 1099426584 /nfs/dbraw/zinc/42/65/84/1099426584.db2.gz GFZJZIJDBUALFZ-NRFANRHFSA-N -1 3 374.440 4.201 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)no2)c([O-])c1 ZINC000436901763 1099428341 /nfs/dbraw/zinc/42/83/41/1099428341.db2.gz NHOOLJNZTNANAY-UHFFFAOYSA-N -1 3 363.417 4.359 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)c1[O-] ZINC000436915035 1099431190 /nfs/dbraw/zinc/43/11/90/1099431190.db2.gz NYQTYLQNJKKUSU-UHFFFAOYSA-N -1 3 363.413 4.370 20 0 FIADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436949367 1099460148 /nfs/dbraw/zinc/46/01/48/1099460148.db2.gz LTWLPTQFQQPIED-UHFFFAOYSA-N -1 3 364.445 4.180 20 0 FIADHM CCCc1cc(=O)[nH]c(C(=Cc2ccc([O-])c(Br)c2)CC)n1 ZINC000436966248 1099464199 /nfs/dbraw/zinc/46/41/99/1099464199.db2.gz MACIXCPGFIHADJ-XYOKQWHBSA-N -1 3 363.255 4.141 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(OCC(F)F)nc2)no1 ZINC000436959034 1099475410 /nfs/dbraw/zinc/47/54/10/1099475410.db2.gz LFKMOMAWYYDKAW-UHFFFAOYSA-N -1 3 369.327 4.301 20 0 FIADHM CCCCOc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)c([O-])c1 ZINC000436973299 1099479963 /nfs/dbraw/zinc/47/99/63/1099479963.db2.gz SSZHZCUOTNNKKB-UHFFFAOYSA-N -1 3 370.474 4.453 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@@H](COc3ccccc3)C2)c([O-])c1 ZINC000436990114 1099492880 /nfs/dbraw/zinc/49/28/80/1099492880.db2.gz TZFADPHZLWFTQH-QGZVFWFLSA-N -1 3 369.461 4.112 20 0 FIADHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1ccccc1[O-] ZINC000436992085 1099495225 /nfs/dbraw/zinc/49/52/25/1099495225.db2.gz UCSSRUNLPUHOAN-CQSZACIVSA-N -1 3 362.267 4.248 20 0 FIADHM O=C(c1c([O-])cccc1F)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436990763 1099495479 /nfs/dbraw/zinc/49/54/79/1099495479.db2.gz PUWFBBRKKPASPZ-AWEZNQCLSA-N -1 3 359.788 4.038 20 0 FIADHM C[C@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nccs1 ZINC000436985266 1099503757 /nfs/dbraw/zinc/50/37/57/1099503757.db2.gz NZGYSGCTJQJZCF-CYBMUJFWSA-N -1 3 354.431 4.175 20 0 FIADHM CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(OC)cc3[O-])oc21 ZINC000437002240 1099522351 /nfs/dbraw/zinc/52/23/51/1099522351.db2.gz MDESHAJIUHISIS-GFCCVEGCSA-N -1 3 355.390 4.037 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccccc1NCC(F)(F)F ZINC000469340172 1099681538 /nfs/dbraw/zinc/68/15/38/1099681538.db2.gz ZMRMAPPIOCDTND-UHFFFAOYSA-N -1 3 370.346 4.467 20 0 FIADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Cl)cc1Cl ZINC000032683354 1099704778 /nfs/dbraw/zinc/70/47/78/1099704778.db2.gz LIUYJQPHJNMGQE-SNVBAGLBSA-N -1 3 361.228 4.326 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c1Cl ZINC000517087719 1100048127 /nfs/dbraw/zinc/04/81/27/1100048127.db2.gz NEUGZVVOWSZSBJ-UHFFFAOYSA-N -1 3 366.216 4.059 20 0 FIADHM [O-]c1cccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)c1Br ZINC000459398114 1100104511 /nfs/dbraw/zinc/10/45/11/1100104511.db2.gz SUORFRUKWBHJLS-SJLPKXTDSA-N -1 3 362.267 4.165 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCOc3c(Cl)cccc32)c1Br ZINC000459472977 1100226849 /nfs/dbraw/zinc/22/68/49/1100226849.db2.gz PBJYUTJELHUJPT-ZDUSSCGKSA-N -1 3 368.658 4.422 20 0 FIADHM CO[C@@H]1CCOc2c(NCc3cccc([O-])c3Br)cccc21 ZINC000459508036 1100262988 /nfs/dbraw/zinc/26/29/88/1100262988.db2.gz SFSBCWYXZKJUKW-OAHLLOKOSA-N -1 3 364.239 4.237 20 0 FIADHM Cc1sc(NC(=O)c2cc(C)ccc2[O-])nc1-c1c[nH]c2ncccc12 ZINC000506180975 1100455513 /nfs/dbraw/zinc/45/55/13/1100455513.db2.gz XXROXVGXWFXDBM-UHFFFAOYSA-N -1 3 364.430 4.261 20 0 FIADHM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000517702234 1100614209 /nfs/dbraw/zinc/61/42/09/1100614209.db2.gz AUIGVAOCSOBDSA-SDBXPKJASA-N -1 3 362.303 4.267 20 0 FIADHM COc1ccc(OCCCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000473592084 1100854208 /nfs/dbraw/zinc/85/42/08/1100854208.db2.gz RJXNVTSQEZICDK-UHFFFAOYSA-N -1 3 369.339 4.217 20 0 FIADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000438725836 1100886729 /nfs/dbraw/zinc/88/67/29/1100886729.db2.gz SFLKQZBNPCWBLD-UHFFFAOYSA-N -1 3 363.479 4.120 20 0 FIADHM COc1ccc2c(c1)CCN2C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000439061525 1101112408 /nfs/dbraw/zinc/11/24/08/1101112408.db2.gz TYFBECYAPNSJRC-UHFFFAOYSA-N -1 3 359.425 4.195 20 0 FIADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000536904738 1101327552 /nfs/dbraw/zinc/32/75/52/1101327552.db2.gz LJGSUVUMZFHNLU-UHFFFAOYSA-N -1 3 365.520 4.180 20 0 FIADHM CCCc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)sc1C ZINC000648433539 1101333889 /nfs/dbraw/zinc/33/38/89/1101333889.db2.gz CWYAWKRKIDDHET-UHFFFAOYSA-N -1 3 365.808 4.095 20 0 FIADHM CCOC[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000459714811 1101355829 /nfs/dbraw/zinc/35/58/29/1101355829.db2.gz OUJYOSKOONDQFE-ZDUSSCGKSA-N -1 3 373.478 4.048 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4c(c3)CCC4)nc(=O)c2c1C ZINC000007888032 1101412264 /nfs/dbraw/zinc/41/22/64/1101412264.db2.gz BBINEWPBGMZIMA-NSHDSACASA-N -1 3 368.458 4.008 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000537078329 1101443956 /nfs/dbraw/zinc/44/39/56/1101443956.db2.gz APTCUXQSQXFZTD-LJQANCHMSA-N -1 3 367.880 4.472 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)c3ccc(Cl)s3)cc2)n1 ZINC000175819128 1101444735 /nfs/dbraw/zinc/44/47/35/1101444735.db2.gz ICEPEOASOMXCIU-NSHDSACASA-N -1 3 373.865 4.202 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(-c3ccccn3)c2C)[nH][n-]1 ZINC000537118515 1101465285 /nfs/dbraw/zinc/46/52/85/1101465285.db2.gz POLKZWSXECFMKT-UHFFFAOYSA-N -1 3 368.440 4.430 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cnc2ccsc2c1 ZINC000439574648 1101577028 /nfs/dbraw/zinc/57/70/28/1101577028.db2.gz WIBCXYHEUWMOFA-UHFFFAOYSA-N -1 3 359.259 4.404 20 0 FIADHM O=C([O-])c1ccccc1OCCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000183921792 1101641776 /nfs/dbraw/zinc/64/17/76/1101641776.db2.gz GZZRRBGOLBLQGK-HXUWFJFHSA-N -1 3 364.445 4.472 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000560425525 1101756587 /nfs/dbraw/zinc/75/65/87/1101756587.db2.gz CZNCWPDYLNFVIO-YUMQZZPRSA-N -1 3 352.150 4.072 20 0 FIADHM Cc1nc(-c2ccc(CCNC(=O)c3ccc(C)cc3[O-])s2)cs1 ZINC000024237878 1101792137 /nfs/dbraw/zinc/79/21/37/1101792137.db2.gz GURXLUJPFLZEOI-UHFFFAOYSA-N -1 3 358.488 4.167 20 0 FIADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(-c2ccccc2)ccc1Cl ZINC000475816029 1101940625 /nfs/dbraw/zinc/94/06/25/1101940625.db2.gz LNEFEVWBSVLSKX-MRXNPFEDSA-N -1 3 365.882 4.318 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 ZINC000064343048 1101955777 /nfs/dbraw/zinc/95/57/77/1101955777.db2.gz KYYDUNLOWXAKMP-UHFFFAOYSA-N -1 3 374.227 4.304 20 0 FIADHM Cc1cccc2c1NC(=O)C2=N[N-]c1ncc(C(F)(F)F)cc1Cl ZINC000008084315 1102061840 /nfs/dbraw/zinc/06/18/40/1102061840.db2.gz LHGPSOWPXWSWHN-UHFFFAOYSA-N -1 3 354.719 4.480 20 0 FIADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263316955 1102068670 /nfs/dbraw/zinc/06/86/70/1102068670.db2.gz IWFDONOHWKPQCM-OLZOCXBDSA-N -1 3 356.447 4.241 20 0 FIADHM Cn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(-c2ccc(Cl)s2)n1 ZINC000476317259 1102121053 /nfs/dbraw/zinc/12/10/53/1102121053.db2.gz XAJKXNJFUHPDBH-UHFFFAOYSA-N -1 3 368.245 4.413 20 0 FIADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000476336711 1102124225 /nfs/dbraw/zinc/12/42/25/1102124225.db2.gz WQLUYVORJUBBHD-UHFFFAOYSA-N -1 3 371.330 4.024 20 0 FIADHM O=C(CCCOc1cccc2ccccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000060615278 1102128327 /nfs/dbraw/zinc/12/83/27/1102128327.db2.gz OEDMPNVFJHTCKV-UHFFFAOYSA-N -1 3 362.389 4.016 20 0 FIADHM O=C([O-])C[C@@H](NCc1cnc(-c2cccs2)s1)c1cccs1 ZINC000671162532 1102180420 /nfs/dbraw/zinc/18/04/20/1102180420.db2.gz JODAFCDZGNMBEO-LLVKDONJSA-N -1 3 350.490 4.239 20 0 FIADHM O=C([O-])c1ccccc1C1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000666585576 1102306045 /nfs/dbraw/zinc/30/60/45/1102306045.db2.gz BNYAAXXDSNMXBX-UHFFFAOYSA-N -1 3 367.474 4.216 20 0 FIADHM CCN(CC)c1ncc(CN2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC000666585873 1102312979 /nfs/dbraw/zinc/31/29/79/1102312979.db2.gz JPDDWYLLJMVMNM-UHFFFAOYSA-N -1 3 373.522 4.067 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c([O-])c1 ZINC000110494254 1102333570 /nfs/dbraw/zinc/33/35/70/1102333570.db2.gz XAYWZJRLAXGZBM-UHFFFAOYSA-N -1 3 367.474 4.041 20 0 FIADHM O=C([O-])C[C@H](CNCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000426658092 1102382486 /nfs/dbraw/zinc/38/24/86/1102382486.db2.gz VGXOBCUDMQUXMJ-QGZVFWFLSA-N -1 3 352.459 4.158 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000121963010 1102502959 /nfs/dbraw/zinc/50/29/59/1102502959.db2.gz FMYISHSQLWBPJP-OAQYLSRUSA-N -1 3 374.440 4.481 20 0 FIADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)CC1CCC1 ZINC000111296256 1102510466 /nfs/dbraw/zinc/51/04/66/1102510466.db2.gz JLJXNLUAKVGOLK-UHFFFAOYSA-N -1 3 357.454 4.023 20 0 FIADHM CSc1ccc(-c2nsc([N-]C(=O)c3cccc(F)c3F)n2)cc1 ZINC000440458677 1102581973 /nfs/dbraw/zinc/58/19/73/1102581973.db2.gz CEHQUZJTFGPLIP-UHFFFAOYSA-N -1 3 363.414 4.458 20 0 FIADHM Cc1ccc(C[C@@H](CNCc2csc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000426663183 1102608043 /nfs/dbraw/zinc/60/80/43/1102608043.db2.gz JFLCIPIUPZTKHU-SFHVURJKSA-N -1 3 366.486 4.152 20 0 FIADHM Cc1ccc(Cc2cnc(NC([O-])=NOCC(F)F)s2)cc1Cl ZINC000758826006 1102754152 /nfs/dbraw/zinc/75/41/52/1102754152.db2.gz KHDSDNZXXQIFMO-UHFFFAOYSA-N -1 3 361.801 4.014 20 0 FIADHM Cc1ccc(Cc2cnc(NC(=O)[N-]OCC(F)F)s2)cc1Cl ZINC000758826006 1102754160 /nfs/dbraw/zinc/75/41/60/1102754160.db2.gz KHDSDNZXXQIFMO-UHFFFAOYSA-N -1 3 361.801 4.014 20 0 FIADHM O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cc([O-])ccc1Cl ZINC000550249085 1102850752 /nfs/dbraw/zinc/85/07/52/1102850752.db2.gz FZKXZCWPIATWOD-UHFFFAOYSA-N -1 3 373.836 4.016 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](C2CCOCC2)C1 ZINC000535163810 1102853027 /nfs/dbraw/zinc/85/30/27/1102853027.db2.gz VJNJZJCXQAYPFA-KRWDZBQOSA-N -1 3 367.445 4.073 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(OCc2ccncc2)cc1)c1ccsc1 ZINC000426672438 1102860212 /nfs/dbraw/zinc/86/02/12/1102860212.db2.gz RGIBWLFEDHQBIT-LJQANCHMSA-N -1 3 368.458 4.028 20 0 FIADHM Cc1nc(C)c([C@H](C)N(C)Cc2cccc([O-])c2Br)s1 ZINC000459340497 1102863256 /nfs/dbraw/zinc/86/32/56/1102863256.db2.gz VKHHXRRZSGTOOT-JTQLQIEISA-N -1 3 355.301 4.421 20 0 FIADHM Cc1nc(C)c(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000551054901 1102868782 /nfs/dbraw/zinc/86/87/82/1102868782.db2.gz CGAQMXHAXIYPTK-ZDUSSCGKSA-N -1 3 358.385 4.084 20 0 FIADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1OCC(C)C ZINC000426694264 1102925585 /nfs/dbraw/zinc/92/55/85/1102925585.db2.gz HTMREZHOQNTIQL-INIZCTEOSA-N -1 3 363.479 4.097 20 0 FIADHM O=C([O-])[C@@H](CNCc1coc(-c2ccccc2)n1)Cc1cccc(Cl)c1 ZINC000426694619 1102925732 /nfs/dbraw/zinc/92/57/32/1102925732.db2.gz DURSDEPBZFSEHL-MRXNPFEDSA-N -1 3 370.836 4.028 20 0 FIADHM O=C([O-])Cc1ccccc1CNCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000426712557 1102947059 /nfs/dbraw/zinc/94/70/59/1102947059.db2.gz XUVVUGRIUVBJLR-UHFFFAOYSA-N -1 3 357.759 4.276 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc3cc(F)ccc3o2)cc1 ZINC000426728448 1102948409 /nfs/dbraw/zinc/94/84/09/1102948409.db2.gz UXHQAUCXPLXUKP-SFHVURJKSA-N -1 3 357.381 4.276 20 0 FIADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1OCC ZINC000426726232 1102963034 /nfs/dbraw/zinc/96/30/34/1102963034.db2.gz IDENEWCXOPJHIL-GOSISDBHSA-N -1 3 363.841 4.053 20 0 FIADHM Cc1ccc(-c2nc(CN[C@@H](Cc3ccc(F)cc3)C(=O)[O-])cs2)cc1 ZINC000426746840 1102964718 /nfs/dbraw/zinc/96/47/18/1102964718.db2.gz KYIOHYWSZGDYDO-SFHVURJKSA-N -1 3 370.449 4.043 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(C(F)(F)F)c2)c1 ZINC000426788868 1102991862 /nfs/dbraw/zinc/99/18/62/1102991862.db2.gz PTZNTUXPJWRQGH-MRXNPFEDSA-N -1 3 353.340 4.020 20 0 FIADHM Cc1ncccc1CN[C@@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000426791672 1102993510 /nfs/dbraw/zinc/99/35/10/1102993510.db2.gz GCZIBXAECKCLAL-INIZCTEOSA-N -1 3 353.249 4.393 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(Cl)s1)c1cccc(Br)c1 ZINC000426802476 1103001327 /nfs/dbraw/zinc/00/13/27/1103001327.db2.gz YQVNREPAOYJFLN-GFCCVEGCSA-N -1 3 374.687 4.470 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(OCC2CC2)cc1)c1cccc(Cl)c1 ZINC000426823248 1103018049 /nfs/dbraw/zinc/01/80/49/1103018049.db2.gz BOKNRYIQDKVTQH-LJQANCHMSA-N -1 3 359.853 4.434 20 0 FIADHM Cc1cc([C@H](NCc2ccc(OCC(F)F)cc2)C(=O)[O-])ccc1Cl ZINC000426825292 1103023160 /nfs/dbraw/zinc/02/31/60/1103023160.db2.gz APTQJFFRBCNTHG-KRWDZBQOSA-N -1 3 369.795 4.208 20 0 FIADHM CCOc1cc(CNc2ccccc2O[C@@H]2CCOC2)cc(Cl)c1[O-] ZINC000551333382 1103093165 /nfs/dbraw/zinc/09/31/65/1103093165.db2.gz BSNYFHUHBVBJOB-CQSZACIVSA-N -1 3 363.841 4.224 20 0 FIADHM COc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2[O-])c(Cl)c1 ZINC000507086653 1103108775 /nfs/dbraw/zinc/10/87/75/1103108775.db2.gz IDTDTRZWDNZNGV-UHFFFAOYSA-N -1 3 368.216 4.309 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c(C)c1 ZINC000427336109 1103439550 /nfs/dbraw/zinc/43/95/50/1103439550.db2.gz HWRLXDDYRLHNLJ-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1ncccc1Cl ZINC000507510278 1103451738 /nfs/dbraw/zinc/45/17/38/1103451738.db2.gz ODUNAQNWEVLACN-CYBMUJFWSA-N -1 3 370.865 4.307 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(Br)cc2)Cc2ccccc2)[n-]1 ZINC000477418614 1103493299 /nfs/dbraw/zinc/49/32/99/1103493299.db2.gz XVSKNMYJJPPXIE-DTQAZKPQSA-N -1 3 367.246 4.316 20 0 FIADHM CN(C)C(=O)c1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1 ZINC000519678984 1103774765 /nfs/dbraw/zinc/77/47/65/1103774765.db2.gz ZXMMPDPEXFPZJE-UHFFFAOYSA-N -1 3 362.216 4.011 20 0 FIADHM CC(C)c1nnc(CSCc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000519755396 1103847855 /nfs/dbraw/zinc/84/78/55/1103847855.db2.gz STTRKJNKVGKJQL-UHFFFAOYSA-N -1 3 358.492 4.258 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](C)C4(CCC4)C3)cc2)cc(=O)[n-]1 ZINC000537750453 1103913573 /nfs/dbraw/zinc/91/35/73/1103913573.db2.gz ZBWCIRFUPQBQAC-CQSZACIVSA-N -1 3 366.465 4.202 20 0 FIADHM CCCOc1ccc(Cl)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000537756796 1103917643 /nfs/dbraw/zinc/91/76/43/1103917643.db2.gz ZYRCCLWQXCBMKC-UHFFFAOYSA-N -1 3 361.751 4.255 20 0 FIADHM COc1cccc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c1[O-] ZINC000440726334 1103918486 /nfs/dbraw/zinc/91/84/86/1103918486.db2.gz NYNZKBZMUBFOPA-UHFFFAOYSA-N -1 3 363.388 4.410 20 0 FIADHM O=C(Cc1ccc(Br)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440982769 1104055002 /nfs/dbraw/zinc/05/50/02/1104055002.db2.gz LXFHKXMNOXGTHL-UHFFFAOYSA-N -1 3 374.156 4.355 20 0 FIADHM CC(C)Oc1ccccc1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440993289 1104065123 /nfs/dbraw/zinc/06/51/23/1104065123.db2.gz VMFLPTAGBPFHFX-UHFFFAOYSA-N -1 3 353.340 4.379 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)c1 ZINC000520252664 1104207949 /nfs/dbraw/zinc/20/79/49/1104207949.db2.gz BFLPKHDMYNUCJQ-UHFFFAOYSA-N -1 3 358.463 4.100 20 0 FIADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000112822240 1104412448 /nfs/dbraw/zinc/41/24/48/1104412448.db2.gz ZRDOUWKFTXNABU-NRFANRHFSA-N -1 3 362.429 4.053 20 0 FIADHM CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cc(Cl)ccc1[O-] ZINC000028923834 1104436547 /nfs/dbraw/zinc/43/65/47/1104436547.db2.gz AXGAGRZVDFLCHD-IBGZPJMESA-N -1 3 368.820 4.430 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3ncsc3c2)sc1Cl ZINC000473941954 1104452869 /nfs/dbraw/zinc/45/28/69/1104452869.db2.gz QGQJEVAHFDCXCR-VIFPVBQESA-N -1 3 372.924 4.359 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc2ccc(F)cc2c1 ZINC000536307485 1104659170 /nfs/dbraw/zinc/65/91/70/1104659170.db2.gz KCQBWSSZPPEMGN-UHFFFAOYSA-N -1 3 350.271 4.351 20 0 FIADHM O=C(Cc1cncs1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000188602154 1104743953 /nfs/dbraw/zinc/74/39/53/1104743953.db2.gz NTHJFTYUFIEYIG-UHFFFAOYSA-N -1 3 367.455 4.307 20 0 FIADHM O=S(=O)([N-][C@H](c1cccs1)c1ccc(Cl)cc1)c1ccco1 ZINC000188610261 1104743979 /nfs/dbraw/zinc/74/39/79/1104743979.db2.gz VGBWSVBTMXWNMV-HNNXBMFYSA-N -1 3 353.852 4.062 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188780336 1104750401 /nfs/dbraw/zinc/75/04/01/1104750401.db2.gz UISOSEBYTJQUEB-UHFFFAOYSA-N -1 3 367.342 4.189 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC(c2ccccc2Br)CC1 ZINC000188872702 1104762997 /nfs/dbraw/zinc/76/29/97/1104762997.db2.gz FHSKQNBTIVYPSA-UHFFFAOYSA-N -1 3 360.251 4.175 20 0 FIADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000189741209 1104841838 /nfs/dbraw/zinc/84/18/38/1104841838.db2.gz FECNCVDTXPQUOF-UHFFFAOYSA-N -1 3 366.689 4.273 20 0 FIADHM CCCCCC[C@@](C)(NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000909431665 1104877495 /nfs/dbraw/zinc/87/74/95/1104877495.db2.gz REWLDRNZOQBGCG-JOCHJYFZSA-N -1 3 374.525 4.216 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000417611141 1105019119 /nfs/dbraw/zinc/01/91/19/1105019119.db2.gz NOYJYCKVUCXVRA-BDAKNGLRSA-N -1 3 359.278 4.316 20 0 FIADHM CC(C)=CCSC[C@H](NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000417632215 1105032819 /nfs/dbraw/zinc/03/28/19/1105032819.db2.gz WQDWWQCHJHOSKQ-AWEZNQCLSA-N -1 3 365.392 4.087 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1 ZINC000520627505 1105065571 /nfs/dbraw/zinc/06/55/71/1105065571.db2.gz ONOIAZQDOQOVLM-UHFFFAOYSA-N -1 3 368.458 4.078 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000441713545 1105116088 /nfs/dbraw/zinc/11/60/88/1105116088.db2.gz KIRSAGUOJYDZQL-UHFFFAOYSA-N -1 3 361.360 4.430 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c(C)c1 ZINC000520701623 1105122570 /nfs/dbraw/zinc/12/25/70/1105122570.db2.gz SCQULIDSSFKOFN-UHFFFAOYSA-N -1 3 373.396 4.354 20 0 FIADHM CCc1noc(C)c1C(=O)[N-]c1nnc([C@H](CC)c2ccccc2)s1 ZINC000520728436 1105168033 /nfs/dbraw/zinc/16/80/33/1105168033.db2.gz BFNCFKJCTXKGTN-CYBMUJFWSA-N -1 3 356.451 4.191 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC(C)(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000520741285 1105186878 /nfs/dbraw/zinc/18/68/78/1105186878.db2.gz XSPVQISQHWUZSS-UHFFFAOYSA-N -1 3 362.433 4.214 20 0 FIADHM Cc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c(Cl)c1 ZINC000427908109 1105315288 /nfs/dbraw/zinc/31/52/88/1105315288.db2.gz YBHLBMODPNUYQL-UHFFFAOYSA-N -1 3 352.781 4.432 20 0 FIADHM Cc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c(Cl)c1 ZINC000427908109 1105315295 /nfs/dbraw/zinc/31/52/95/1105315295.db2.gz YBHLBMODPNUYQL-UHFFFAOYSA-N -1 3 352.781 4.432 20 0 FIADHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000151474129 1105336091 /nfs/dbraw/zinc/33/60/91/1105336091.db2.gz WDNRWBJRUXCGKW-ZDUSSCGKSA-N -1 3 365.307 4.054 20 0 FIADHM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000530033857 1106766574 /nfs/dbraw/zinc/76/65/74/1106766574.db2.gz DNLXNSLSGYEZDV-QGZVFWFLSA-N -1 3 364.420 4.076 20 0 FIADHM O=C([O-])c1ccc(F)c2c1CN(CCCOc1ccc(Cl)cc1)CC2 ZINC000530167322 1106876808 /nfs/dbraw/zinc/87/68/08/1106876808.db2.gz CVQBUHTVRKRTDN-UHFFFAOYSA-N -1 3 363.816 4.005 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)C[C@H](C)C1CCCCC1 ZINC000530172936 1106902432 /nfs/dbraw/zinc/90/24/32/1106902432.db2.gz MCNBQJMFBJGSDF-HNNXBMFYSA-N -1 3 357.498 4.403 20 0 FIADHM Cc1nc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)oc1-c1ccc(Cl)cc1 ZINC000530175145 1106904789 /nfs/dbraw/zinc/90/47/89/1106904789.db2.gz NYLUKTLYKYIHBU-RYUDHWBXSA-N -1 3 362.857 4.377 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Cc4ccccc4)CC3)nc2)n1 ZINC000301178392 1106955347 /nfs/dbraw/zinc/95/53/47/1106955347.db2.gz NKKIINUZFYQLPZ-UHFFFAOYSA-N -1 3 374.488 4.266 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(Cl)s3)nc2)n1 ZINC000301197268 1106960884 /nfs/dbraw/zinc/96/08/84/1106960884.db2.gz ZTGOCGCSPRIBAD-UHFFFAOYSA-N -1 3 360.870 4.158 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](C(C)(C)C)CC3)nc2)n1 ZINC000301322814 1106991280 /nfs/dbraw/zinc/99/12/80/1106991280.db2.gz UUBNLZYIHGBRFO-MRXNPFEDSA-N -1 3 354.498 4.459 20 0 FIADHM O=C(CSc1ccc(F)cc1)Nc1cc(Br)ccc1[O-] ZINC000530777197 1107313392 /nfs/dbraw/zinc/31/33/92/1107313392.db2.gz SJRORLFJQURLRL-UHFFFAOYSA-N -1 3 356.216 4.025 20 0 FIADHM O=C([N-]c1cc(Cl)cc2cccnc21)c1cc(-c2ccccn2)no1 ZINC000530858340 1107363610 /nfs/dbraw/zinc/36/36/10/1107363610.db2.gz XDKHKKZVFZDBGY-UHFFFAOYSA-N -1 3 350.765 4.191 20 0 FIADHM CCc1cccc(C(=O)N(C)CCc2ccc(Br)cc2)c1[O-] ZINC000530955136 1107433105 /nfs/dbraw/zinc/43/31/05/1107433105.db2.gz KEOLOWJSZAIDGK-UHFFFAOYSA-N -1 3 362.267 4.032 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2cc(Br)ccc2o1 ZINC000531134911 1107568542 /nfs/dbraw/zinc/56/85/42/1107568542.db2.gz DDMUGSGWCDGDOQ-UHFFFAOYSA-N -1 3 350.143 4.292 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c2ccccc12 ZINC000614761206 1107662028 /nfs/dbraw/zinc/66/20/28/1107662028.db2.gz DRPPACMWUDZKCM-UHFFFAOYSA-N -1 3 365.813 4.442 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cc2cc(F)ccc2o1 ZINC000531253873 1107703502 /nfs/dbraw/zinc/70/35/02/1107703502.db2.gz PDOKWHGBHUBDKP-UHFFFAOYSA-N -1 3 350.143 4.292 20 0 FIADHM COC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)cc1C ZINC000609966754 1107807423 /nfs/dbraw/zinc/80/74/23/1107807423.db2.gz DWSFORGUJCJZFD-UHFFFAOYSA-N -1 3 356.403 4.059 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000444730406 1108119768 /nfs/dbraw/zinc/11/97/68/1108119768.db2.gz JDYLBLUEBKGEKQ-MRXNPFEDSA-N -1 3 363.461 4.174 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000523458484 1108234828 /nfs/dbraw/zinc/23/48/28/1108234828.db2.gz HSBAGRNWBZXAAG-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1Cl ZINC000523471466 1108243144 /nfs/dbraw/zinc/24/31/44/1108243144.db2.gz NJYUAUWUAPQTHR-VIFPVBQESA-N -1 3 357.212 4.399 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000445134309 1108471500 /nfs/dbraw/zinc/47/15/00/1108471500.db2.gz JRISZWLXHIXURH-GOSISDBHSA-N -1 3 362.404 4.393 20 0 FIADHM CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000523780582 1108530344 /nfs/dbraw/zinc/53/03/44/1108530344.db2.gz PYNJJSKRJCOTCE-UHFFFAOYSA-N -1 3 371.440 4.132 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1csc(Br)c1)c1ccccc1 ZINC000426755159 1108778177 /nfs/dbraw/zinc/77/81/77/1108778177.db2.gz XBKYBAHMLWUFSC-YGRLFVJLSA-N -1 3 354.269 4.062 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Oc3cnccn3)cc2)CC)n1 ZINC000193617123 1108784258 /nfs/dbraw/zinc/78/42/58/1108784258.db2.gz QZMRNHAKSRSWFE-VBKFSLOCSA-N -1 3 362.433 4.255 20 0 FIADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000445792825 1108989979 /nfs/dbraw/zinc/98/99/79/1108989979.db2.gz ZJPCCSAHRVEDNN-UHFFFAOYSA-N -1 3 371.249 4.394 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1C ZINC000525008861 1109229392 /nfs/dbraw/zinc/22/93/92/1109229392.db2.gz GKVGFWWPIWKAOA-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1cc(C(CC)CC)no1 ZINC000525517928 1109410361 /nfs/dbraw/zinc/41/03/61/1109410361.db2.gz MMUGKGZITVQZMC-UHFFFAOYSA-N -1 3 350.440 4.377 20 0 FIADHM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccc2ncccc2c1 ZINC000525525317 1109412414 /nfs/dbraw/zinc/41/24/14/1109412414.db2.gz FPHMYZOJRFXJQQ-UHFFFAOYSA-N -1 3 368.458 4.357 20 0 FIADHM CCOc1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)cc1F ZINC000447134107 1109455758 /nfs/dbraw/zinc/45/57/58/1109455758.db2.gz TVQZFXWVHVBIGY-UHFFFAOYSA-N -1 3 363.186 4.303 20 0 FIADHM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cc(F)c(F)c(F)c1 ZINC000447267254 1109491313 /nfs/dbraw/zinc/49/13/13/1109491313.db2.gz MIKPBQVHFHSBRI-UHFFFAOYSA-N -1 3 371.311 4.304 20 0 FIADHM Cc1cc2occ(CC(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c2cc1C(C)C ZINC000525968529 1109574424 /nfs/dbraw/zinc/57/44/24/1109574424.db2.gz HXIGJWIVNSJZDT-GOSISDBHSA-N -1 3 367.449 4.042 20 0 FIADHM CC(C)(C)OC(=O)CCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000526923566 1109643307 /nfs/dbraw/zinc/64/33/07/1109643307.db2.gz QGLFWICBRIZEQR-UHFFFAOYSA-N -1 3 357.450 4.177 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3ccccc3C(F)(F)F)CC2)n1 ZINC000447853727 1109659604 /nfs/dbraw/zinc/65/96/04/1109659604.db2.gz IFPSRHMHHZSGQO-ZDUSSCGKSA-N -1 3 365.399 4.450 20 0 FIADHM [O-]c1cccnc1CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000526990473 1109660891 /nfs/dbraw/zinc/66/08/91/1109660891.db2.gz BRYQHKNVRNSTBO-UHFFFAOYSA-N -1 3 365.380 4.219 20 0 FIADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1cc(F)cc(Br)c1 ZINC000447877111 1109665195 /nfs/dbraw/zinc/66/51/95/1109665195.db2.gz CQYBCQCPIHWZNA-IINYFYTJSA-N -1 3 368.250 4.194 20 0 FIADHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527175933 1109709884 /nfs/dbraw/zinc/70/98/84/1109709884.db2.gz KLCCVQBSTVGAHP-RMKBEBRYSA-N -1 3 367.470 4.116 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1coc2cc(F)ccc21 ZINC000527521739 1109773218 /nfs/dbraw/zinc/77/32/18/1109773218.db2.gz JKCJBDRFPVDSQW-UHFFFAOYSA-N -1 3 350.143 4.292 20 0 FIADHM CCC(CC)n1nc(C)cc1C(=O)N=c1cc(-c2cccc(F)c2)o[n-]1 ZINC000448538913 1109817208 /nfs/dbraw/zinc/81/72/08/1109817208.db2.gz QRAFUXDKFDOJQE-UHFFFAOYSA-N -1 3 356.401 4.021 20 0 FIADHM O=c1[n-]c(SC[C@H]2CCCC2(F)F)nc2c1cnn2-c1ccccc1 ZINC000450603840 1110317298 /nfs/dbraw/zinc/31/72/98/1110317298.db2.gz ZOIOJADWWJTOTJ-LLVKDONJSA-N -1 3 362.405 4.049 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ccc(F)c(Cl)c1F ZINC000538686549 1111252809 /nfs/dbraw/zinc/25/28/09/1111252809.db2.gz FDKRYFVDPOLMEE-UHFFFAOYSA-N -1 3 369.158 4.309 20 0 FIADHM CC(C)N(Cc1ccccn1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000538743011 1111277880 /nfs/dbraw/zinc/27/78/80/1111277880.db2.gz PSJDTISDZIUQQL-UHFFFAOYSA-N -1 3 360.457 4.429 20 0 FIADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000538816134 1111308052 /nfs/dbraw/zinc/30/80/52/1111308052.db2.gz BRECQGLRFRBIAJ-FQEVSTJZSA-N -1 3 350.393 4.008 20 0 FIADHM C[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000538932691 1111349383 /nfs/dbraw/zinc/34/93/83/1111349383.db2.gz VTTLZCYMIZQQME-ZETCQYMHSA-N -1 3 355.250 4.229 20 0 FIADHM O=C(Nc1cccc([O-])c1F)C1(c2cc(F)cc(Br)c2)CC1 ZINC000552140729 1111590639 /nfs/dbraw/zinc/59/06/39/1111590639.db2.gz VSPQHYOXIXXRPV-UHFFFAOYSA-N -1 3 368.177 4.103 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000552285780 1111649262 /nfs/dbraw/zinc/64/92/62/1111649262.db2.gz CTKAAYDACAUWIT-UHFFFAOYSA-N -1 3 356.765 4.156 20 0 FIADHM CC(=O)c1cccc(NC(=O)CCCCOc2cc(C)ccc2C)c1[O-] ZINC000552287177 1111649922 /nfs/dbraw/zinc/64/99/22/1111649922.db2.gz KJIDWXLXQPCWGO-UHFFFAOYSA-N -1 3 355.434 4.399 20 0 FIADHM CC(=O)c1cccc(NC(=O)CCCc2nc3ccccc3s2)c1[O-] ZINC000552286399 1111650923 /nfs/dbraw/zinc/65/09/23/1111650923.db2.gz OMEXPQGMRYBKFZ-UHFFFAOYSA-N -1 3 354.431 4.166 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000552393831 1111691808 /nfs/dbraw/zinc/69/18/08/1111691808.db2.gz OCDWSJGTELGLFN-SFYZADRCSA-N -1 3 352.150 4.072 20 0 FIADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000552432319 1111704682 /nfs/dbraw/zinc/70/46/82/1111704682.db2.gz BENZZOBUWBIHIY-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM COc1ccc(Cn2cc(NC(=O)c3cc([O-])c4ccccc4c3)cn2)cc1 ZINC000552464538 1111718143 /nfs/dbraw/zinc/71/81/43/1111718143.db2.gz LGEDFWMJILPMBE-UHFFFAOYSA-N -1 3 373.412 4.051 20 0 FIADHM Cc1ccc(C)n1-c1nc(CC(=O)Nc2c([O-])cccc2Cl)cs1 ZINC000552781785 1111811015 /nfs/dbraw/zinc/81/10/15/1111811015.db2.gz XZAABHHMGBCZBZ-UHFFFAOYSA-N -1 3 361.854 4.091 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCSc4ccccc43)c[n-]c12 ZINC000553125897 1111912936 /nfs/dbraw/zinc/91/29/36/1111912936.db2.gz IXTNWLUWJOKZSU-UHFFFAOYSA-N -1 3 368.433 4.118 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c1Cl ZINC000479135006 1111951602 /nfs/dbraw/zinc/95/16/02/1111951602.db2.gz GWOAEFYGWHNZJR-UHFFFAOYSA-N -1 3 370.261 4.287 20 0 FIADHM C[C@H](SCc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000479709003 1112117791 /nfs/dbraw/zinc/11/77/91/1112117791.db2.gz VEGAQTKHIXEKJP-JTQLQIEISA-N -1 3 360.435 4.045 20 0 FIADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000480114009 1112288350 /nfs/dbraw/zinc/28/83/50/1112288350.db2.gz GVKNHANTVLXKLL-UHFFFAOYSA-N -1 3 359.385 4.288 20 0 FIADHM COC(=O)c1cnc(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)[n-]1 ZINC000554397031 1112332011 /nfs/dbraw/zinc/33/20/11/1112332011.db2.gz BGMMDHUMVXYEOI-OAHLLOKOSA-N -1 3 366.870 4.110 20 0 FIADHM CSc1ccc([O-])c(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000667647702 1112352677 /nfs/dbraw/zinc/35/26/77/1112352677.db2.gz CESASFVJHCQGOG-UZLBHIALSA-N -1 3 371.502 4.354 20 0 FIADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554524947 1112389879 /nfs/dbraw/zinc/38/98/79/1112389879.db2.gz YKLBRDVRQDXVJK-ZIAGYGMSSA-N -1 3 356.857 4.066 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)[C@H]3c3ccccc3)cc2)cc(=O)[n-]1 ZINC000480361643 1112399955 /nfs/dbraw/zinc/39/99/55/1112399955.db2.gz VDKCWDBUDNZFMV-SZNDQCEHSA-N -1 3 374.444 4.383 20 0 FIADHM Cc1cc(=O)[n-]c(CS[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)n1 ZINC000842175557 1112455901 /nfs/dbraw/zinc/45/59/01/1112455901.db2.gz UCOPHMIDHIMFIK-ZDUSSCGKSA-N -1 3 356.451 4.152 20 0 FIADHM C[C@H](c1ccc(CSc2nc3c(cnn3C)c(=O)[n-]2)cc1)C(F)(F)F ZINC000629220308 1112459451 /nfs/dbraw/zinc/45/94/51/1112459451.db2.gz LFKFRGSQJDXBHE-SECBINFHSA-N -1 3 368.384 4.027 20 0 FIADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000156263847 1112472455 /nfs/dbraw/zinc/47/24/55/1112472455.db2.gz XBTOPVMZTBJBLB-UHFFFAOYSA-N -1 3 370.449 4.131 20 0 FIADHM Cc1cccc(CO[N-]C(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)n1 ZINC000898934024 1112494555 /nfs/dbraw/zinc/49/45/55/1112494555.db2.gz IOUXMLVZFHBKGQ-MWABVPJASA-N -1 3 368.399 4.087 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1cccc(Cl)c1Cl ZINC000480848864 1112635495 /nfs/dbraw/zinc/63/54/95/1112635495.db2.gz UHGHSSVPERKPBV-CYBMUJFWSA-N -1 3 372.273 4.055 20 0 FIADHM COCCSc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000555864769 1113031633 /nfs/dbraw/zinc/03/16/33/1113031633.db2.gz CYALIRAEXTWWCH-LBPRGKRZSA-N -1 3 365.882 4.275 20 0 FIADHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482153249 1113185517 /nfs/dbraw/zinc/18/55/17/1113185517.db2.gz QMOSKJDKBPZWLY-SECBINFHSA-N -1 3 366.368 4.043 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000482882114 1113391352 /nfs/dbraw/zinc/39/13/52/1113391352.db2.gz PPHBWFUIUARNFG-IBGZPJMESA-N -1 3 352.434 4.012 20 0 FIADHM O=c1cc(C=Cc2ccc(-c3ccncc3)cc2F)nc(-c2ccncc2)[n-]1 ZINC000486053335 1113492900 /nfs/dbraw/zinc/49/29/00/1113492900.db2.gz QVWJNLQVMUMHOK-ARJAWSKDSA-N -1 3 370.387 4.203 20 0 FIADHM CC(C)CCn1ncc([N-]S(=O)(=O)CCc2ccccc2)c1C(C)C ZINC000486086994 1113502674 /nfs/dbraw/zinc/50/26/74/1113502674.db2.gz JLVIVDSFUIPWGE-UHFFFAOYSA-N -1 3 363.527 4.037 20 0 FIADHM CC(C)CN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCCC1 ZINC000486626202 1113605463 /nfs/dbraw/zinc/60/54/63/1113605463.db2.gz GIKQUBXCNBCXKP-UHFFFAOYSA-N -1 3 369.303 4.265 20 0 FIADHM CC(C)O[C@@H](CSc1nc(=O)cc([O-])n1C1CCCC1)c1ccccc1 ZINC000488237626 1113885969 /nfs/dbraw/zinc/88/59/69/1113885969.db2.gz ZOPIBMSEXNWGGD-KRWDZBQOSA-N -1 3 374.506 4.322 20 0 FIADHM O=C(C[C@@H]1CCCc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000488651571 1113967007 /nfs/dbraw/zinc/96/70/07/1113967007.db2.gz ADKKQVBRJLCXNI-HNNXBMFYSA-N -1 3 374.278 4.281 20 0 FIADHM Cc1[nH]c2c(cccc2C(=O)NCc2ccc([O-])c(Br)c2)c1C ZINC000488669792 1113970025 /nfs/dbraw/zinc/97/00/25/1113970025.db2.gz BHLIIEJJGXHNBA-UHFFFAOYSA-N -1 3 373.250 4.183 20 0 FIADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1Cl ZINC000488678750 1113975473 /nfs/dbraw/zinc/97/54/73/1113975473.db2.gz OXAHUYCOGAFRAF-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM CC(C)n1ncc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c1-c1ccccc1 ZINC000489077119 1114042022 /nfs/dbraw/zinc/04/20/22/1114042022.db2.gz SKZCYCOFXIYTAB-UHFFFAOYSA-N -1 3 371.444 4.195 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccn1C1CCCC1 ZINC000489630021 1114147385 /nfs/dbraw/zinc/14/73/85/1114147385.db2.gz YMJOVCZTJXENPO-UHFFFAOYSA-N -1 3 363.255 4.001 20 0 FIADHM O=S(=O)([N-]C[C@H]1CCCCC(F)(F)C1)c1ccccc1C(F)(F)F ZINC000489999870 1114199713 /nfs/dbraw/zinc/19/97/13/1114199713.db2.gz HBYWMFIJKJZYIZ-NSHDSACASA-N -1 3 371.371 4.199 20 0 FIADHM COc1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)cc(OC)c1[O-] ZINC000490433538 1114290584 /nfs/dbraw/zinc/29/05/84/1114290584.db2.gz UVHCSBPSHVTPNZ-LJQANCHMSA-N -1 3 373.424 4.210 20 0 FIADHM COc1cc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000490550747 1114299258 /nfs/dbraw/zinc/29/92/58/1114299258.db2.gz ZNHZNCLDQGVNMP-ROUUACIJSA-N -1 3 369.461 4.126 20 0 FIADHM O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(-c2ccco2)[n-]n1 ZINC000913299315 1114322340 /nfs/dbraw/zinc/32/23/40/1114322340.db2.gz ZXXLFIYONZUQIY-UHFFFAOYSA-N -1 3 369.764 4.335 20 0 FIADHM O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cc(-c2ccco2)n[n-]1 ZINC000913299315 1114322345 /nfs/dbraw/zinc/32/23/45/1114322345.db2.gz ZXXLFIYONZUQIY-UHFFFAOYSA-N -1 3 369.764 4.335 20 0 FIADHM CCN(Cc1ccoc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000588169284 1114547544 /nfs/dbraw/zinc/54/75/44/1114547544.db2.gz NWLJMDMBYGPYFV-UHFFFAOYSA-N -1 3 355.419 4.272 20 0 FIADHM Cc1c([O-])ccc2c(CN[C@@H](C)c3ccccc3OC(C)C)cc(=O)oc12 ZINC000056161598 1114614246 /nfs/dbraw/zinc/61/42/46/1114614246.db2.gz GOOQWFVUIGCPNM-HNNXBMFYSA-N -1 3 367.445 4.445 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000572866226 1114808245 /nfs/dbraw/zinc/80/82/45/1114808245.db2.gz YMFFFGSBALWUTA-FSSWDIPSSA-N -1 3 373.452 4.190 20 0 FIADHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)c1ccc2c(c1)COC2 ZINC000589938143 1114862591 /nfs/dbraw/zinc/86/25/91/1114862591.db2.gz UTNGFAFOASVHPD-UHFFFAOYSA-N -1 3 369.417 4.324 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCC[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000590800005 1114976567 /nfs/dbraw/zinc/97/65/67/1114976567.db2.gz MSAJZKBLHMOLHR-ROUUACIJSA-N -1 3 368.481 4.494 20 0 FIADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000591245939 1115044597 /nfs/dbraw/zinc/04/45/97/1115044597.db2.gz MVQUCDZXKCRZQJ-HXUWFJFHSA-N -1 3 366.848 4.453 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(F)(F)F ZINC000591683835 1115122380 /nfs/dbraw/zinc/12/23/80/1115122380.db2.gz YENIUILVKXUQJA-UHFFFAOYSA-N -1 3 369.286 4.232 20 0 FIADHM O=C([O-])C[C@@H](NCc1cnc(CCc2ccccc2)s1)c1cccs1 ZINC000669472718 1115291549 /nfs/dbraw/zinc/29/15/49/1115291549.db2.gz PKEDNHFTIAHSAI-MRXNPFEDSA-N -1 3 372.515 4.295 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4cc[nH]c4c3)nc(=O)c2c1C ZINC000046470559 1115385394 /nfs/dbraw/zinc/38/53/94/1115385394.db2.gz UHVPXACMCSBIKW-SNVBAGLBSA-N -1 3 367.430 4.001 20 0 FIADHM COc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c(Cl)c1 ZINC000594583305 1115467550 /nfs/dbraw/zinc/46/75/50/1115467550.db2.gz AMHJWUWZEKPNCA-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM C[C@@H](SCC1(C)COC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000596324216 1115584159 /nfs/dbraw/zinc/58/41/59/1115584159.db2.gz VACYQVSOELQPGH-SNVBAGLBSA-N -1 3 362.476 4.488 20 0 FIADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1c(Cl)cccc1Cl ZINC000598018293 1115702113 /nfs/dbraw/zinc/70/21/13/1115702113.db2.gz ZEXYJGNBQHXTII-UHFFFAOYSA-N -1 3 362.253 4.044 20 0 FIADHM CC(C)(C)OC(=O)C1(NC(=O)c2cc([O-])ccc2Cl)CCCCCC1 ZINC000598793762 1115753861 /nfs/dbraw/zinc/75/38/61/1115753861.db2.gz PJGPCQWTNJDWBL-UHFFFAOYSA-N -1 3 367.873 4.210 20 0 FIADHM CCOC(=O)c1c(-c2ccc(F)cc2)csc1[N-]C(=O)c1cc(C)no1 ZINC000061046445 1115763168 /nfs/dbraw/zinc/76/31/68/1115763168.db2.gz JLZZXKMDAOWBTD-UHFFFAOYSA-N -1 3 374.393 4.280 20 0 FIADHM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)O1 ZINC000669712332 1115856745 /nfs/dbraw/zinc/85/67/45/1115856745.db2.gz WZKCFTGZSFEMKX-FMTVUPSXSA-N -1 3 368.458 4.421 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1C ZINC000605613070 1115911403 /nfs/dbraw/zinc/91/14/03/1115911403.db2.gz XKGCZQHXGWSJKC-UHFFFAOYSA-N -1 3 373.478 4.043 20 0 FIADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000606351661 1115935286 /nfs/dbraw/zinc/93/52/86/1115935286.db2.gz JANSPDDTIUNLQN-JTQLQIEISA-N -1 3 352.203 4.111 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CC2(CCCC2)c2c1cccc2F ZINC000606719754 1115965544 /nfs/dbraw/zinc/96/55/44/1115965544.db2.gz JEAJIRUZWPLCBI-UHFFFAOYSA-N -1 3 358.388 4.212 20 0 FIADHM CCN(Cc1ccc2ccccc2c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606721052 1115965563 /nfs/dbraw/zinc/96/55/63/1115965563.db2.gz WJTIVQOJJDAQPL-UHFFFAOYSA-N -1 3 352.409 4.416 20 0 FIADHM S=c1[n-]nc(Cc2cccs2)n1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000172916488 1116008360 /nfs/dbraw/zinc/00/83/60/1116008360.db2.gz AWCPXYFHUIBULC-INIZCTEOSA-N -1 3 370.547 4.115 20 0 FIADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000608033198 1116078890 /nfs/dbraw/zinc/07/88/90/1116078890.db2.gz ZKKKAWONBHTBDT-GDBMZVCRSA-N -1 3 356.274 4.002 20 0 FIADHM O=c1[n-]c(S[C@@H]2CCc3ccccc32)nc2c1cnn2-c1ccccc1 ZINC000608081011 1116081032 /nfs/dbraw/zinc/08/10/32/1116081032.db2.gz FNJRWMVEFHXDGD-QGZVFWFLSA-N -1 3 360.442 4.301 20 0 FIADHM O=c1nc(CN2CCC3(CCCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000173826596 1116090009 /nfs/dbraw/zinc/09/00/09/1116090009.db2.gz PMXJHWAUYCHHPS-UHFFFAOYSA-N -1 3 355.463 4.011 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@]3(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000608283059 1116096449 /nfs/dbraw/zinc/09/64/49/1116096449.db2.gz AOKWBGOFPMFXNT-SIKLNZKXSA-N -1 3 374.444 4.009 20 0 FIADHM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000608354538 1116101517 /nfs/dbraw/zinc/10/15/17/1116101517.db2.gz LDKQFDKOFSXANK-UHFFFAOYSA-N -1 3 364.804 4.422 20 0 FIADHM Cc1c(CSC(C)C)cccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000173938998 1116103054 /nfs/dbraw/zinc/10/30/54/1116103054.db2.gz YOZIRDNCHWGWPZ-UHFFFAOYSA-N -1 3 367.474 4.125 20 0 FIADHM CC1(C)Cc2ccc(Cl)c(NCc3nc(C(F)(F)F)cc(=O)[n-]3)c2O1 ZINC000429795203 1116228716 /nfs/dbraw/zinc/22/87/16/1116228716.db2.gz QWKCTXGMHBBWNN-UHFFFAOYSA-N -1 3 373.762 4.180 20 0 FIADHM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cc([O-])ccc1Cl ZINC000509718530 1116230178 /nfs/dbraw/zinc/23/01/78/1116230178.db2.gz HVZQUSHOIJVBQV-UHFFFAOYSA-N -1 3 362.710 4.411 20 0 FIADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccc2oc3ccccc3c2c1 ZINC000535054405 1116264976 /nfs/dbraw/zinc/26/49/76/1116264976.db2.gz FVIHSRAOJBDQJK-UHFFFAOYSA-N -1 3 357.362 4.232 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2oc(Br)cc2C)c1F ZINC000535480668 1116310708 /nfs/dbraw/zinc/31/07/08/1116310708.db2.gz WESUYPHRVUTPHC-UHFFFAOYSA-N -1 3 360.154 4.280 20 0 FIADHM O=C(CCCn1ccc2cc(Cl)ccc21)NCc1ccc([O-])c(F)c1 ZINC000535479582 1116312076 /nfs/dbraw/zinc/31/20/76/1116312076.db2.gz MHFCIUYSRHHWPQ-UHFFFAOYSA-N -1 3 360.816 4.236 20 0 FIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(C)CCC(C)CC2)s1 ZINC000462270278 1116336128 /nfs/dbraw/zinc/33/61/28/1116336128.db2.gz UNVAMRUQLALRJQ-UHFFFAOYSA-N -1 3 366.346 4.066 20 0 FIADHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462430768 1116348450 /nfs/dbraw/zinc/34/84/50/1116348450.db2.gz UPCIDEFDKVSPHF-ZYHUDNBSSA-N -1 3 366.346 4.066 20 0 FIADHM O=c1nc(CN2CC[C@@H](C3CC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000491280309 1116365672 /nfs/dbraw/zinc/36/56/72/1116365672.db2.gz YKPHNBNUAJWKSH-CQSZACIVSA-N -1 3 369.465 4.023 20 0 FIADHM CC(=CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1C(F)(F)F ZINC001121141743 1116384671 /nfs/dbraw/zinc/38/46/71/1116384671.db2.gz LVXWGHUJNWNREA-KTKRTIGZSA-N -1 3 362.311 4.126 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)c(F)c1 ZINC000540820980 1118263316 /nfs/dbraw/zinc/26/33/16/1118263316.db2.gz MRUOZDIBUVEZOI-UHFFFAOYSA-N -1 3 361.423 4.169 20 0 FIADHM O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)c1cccc2n[n-]nc21 ZINC000540963083 1118326129 /nfs/dbraw/zinc/32/61/29/1118326129.db2.gz HLKGXBMJJCWCGI-MRXNPFEDSA-N -1 3 368.849 4.192 20 0 FIADHM COc1ccccc1-c1nc([N-]C(=O)c2ccc(-c3cccs3)o2)n[nH]1 ZINC000541240696 1118439605 /nfs/dbraw/zinc/43/96/05/1118439605.db2.gz ROFADIZDPSHENZ-UHFFFAOYSA-N -1 3 366.402 4.054 20 0 FIADHM Cc1nc2sc(-c3ccccc3)cc2c(NCc2cnc(C)[n-]c2=O)n1 ZINC000541329635 1118477503 /nfs/dbraw/zinc/47/75/03/1118477503.db2.gz OQWZRAWBBVHVSL-UHFFFAOYSA-N -1 3 363.446 4.083 20 0 FIADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000464361036 1118534410 /nfs/dbraw/zinc/53/44/10/1118534410.db2.gz DQEUGBRQUIVIIS-SECBINFHSA-N -1 3 351.777 4.112 20 0 FIADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000464361037 1118534498 /nfs/dbraw/zinc/53/44/98/1118534498.db2.gz DQEUGBRQUIVIIS-VIFPVBQESA-N -1 3 351.777 4.112 20 0 FIADHM Cc1ccc([O-])c(NC(=O)c2sc(C3CC3)nc2-c2ccccc2)n1 ZINC000541514657 1118536271 /nfs/dbraw/zinc/53/62/71/1118536271.db2.gz LIJQKVLYPHKQLO-UHFFFAOYSA-N -1 3 351.431 4.349 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000541739663 1118627816 /nfs/dbraw/zinc/62/78/16/1118627816.db2.gz ACPYCBIFODEGIB-YLJYHZDGSA-N -1 3 357.425 4.086 20 0 FIADHM O=S(=O)([N-]c1cccc(C(F)F)c1Cl)c1cncc(Cl)c1 ZINC000541805098 1118656420 /nfs/dbraw/zinc/65/64/20/1118656420.db2.gz RSCZDOGBTFSVHL-UHFFFAOYSA-N -1 3 353.177 4.127 20 0 FIADHM COc1ccc([O-])c(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)c1 ZINC000464714851 1118662029 /nfs/dbraw/zinc/66/20/29/1118662029.db2.gz VYGJTPNSGYHQCO-UHFFFAOYSA-N -1 3 365.351 4.476 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(F)cc1C(F)(F)F ZINC000303201006 1118867928 /nfs/dbraw/zinc/86/79/28/1118867928.db2.gz OFVLQCZFBUPCCX-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000324123907 1119226264 /nfs/dbraw/zinc/22/62/64/1119226264.db2.gz IVDXALNHJZDMGQ-UHFFFAOYSA-N -1 3 356.121 4.062 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)c1 ZINC000176783329 1119294557 /nfs/dbraw/zinc/29/45/57/1119294557.db2.gz AKVPZNYIHYRPBY-UHFFFAOYSA-N -1 3 359.476 4.186 20 0 FIADHM COc1cccc(-c2nc(Cc3nc(-c4ccccc4)oc3C)no2)c1[O-] ZINC000761496780 1119395247 /nfs/dbraw/zinc/39/52/47/1119395247.db2.gz BEZJWNXHIADTLI-UHFFFAOYSA-N -1 3 363.373 4.005 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3nc(-c4ccccc4)oc3C)no2)c1 ZINC000761504931 1119405691 /nfs/dbraw/zinc/40/56/91/1119405691.db2.gz HPNYCQFCEHDCSH-UHFFFAOYSA-N -1 3 363.373 4.005 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)Cc2cncc3ccccc32)[nH][n-]1 ZINC000493299274 1119441666 /nfs/dbraw/zinc/44/16/66/1119441666.db2.gz AONCGKUPKSKJNB-INIZCTEOSA-N -1 3 370.456 4.173 20 0 FIADHM Cc1c([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000152590691 1119463786 /nfs/dbraw/zinc/46/37/86/1119463786.db2.gz DIPCBBLIYQYOON-VAWYXSNFSA-N -1 3 373.865 4.247 20 0 FIADHM O=C(Cc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Cl)cc1[O-] ZINC000185622039 1119676994 /nfs/dbraw/zinc/67/69/94/1119676994.db2.gz DYRWVQAOUZILIR-UHFFFAOYSA-N -1 3 362.813 4.489 20 0 FIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000187135592 1119768825 /nfs/dbraw/zinc/76/88/25/1119768825.db2.gz RJHHMHUJJIAMCD-UHFFFAOYSA-N -1 3 361.776 4.431 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F ZINC000494325389 1119833624 /nfs/dbraw/zinc/83/36/24/1119833624.db2.gz CIRNLQXZBCCXMB-SECBINFHSA-N -1 3 367.364 4.280 20 0 FIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000152583013 1119843577 /nfs/dbraw/zinc/84/35/77/1119843577.db2.gz BHJXDUDOXHEKSC-UHFFFAOYSA-N -1 3 373.261 4.143 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000191844308 1119998448 /nfs/dbraw/zinc/99/84/48/1119998448.db2.gz WLHSAWKKJSKVGX-UHFFFAOYSA-N -1 3 356.432 4.223 20 0 FIADHM O=C(Nc1ccccc1[O-])c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000193093528 1120099516 /nfs/dbraw/zinc/09/95/16/1120099516.db2.gz PHVXLXDCKXMPAU-UHFFFAOYSA-N -1 3 353.324 4.154 20 0 FIADHM Cc1ccc(F)c2oc(C(=O)[N-]c3nc(-c4cccnc4)ns3)cc21 ZINC001127306839 1120312495 /nfs/dbraw/zinc/31/24/95/1120312495.db2.gz BXDXCLNJTDCGNG-UHFFFAOYSA-N -1 3 354.366 4.046 20 0 FIADHM CC[C@@H](C)n1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccccc1 ZINC000761863820 1120558217 /nfs/dbraw/zinc/55/82/17/1120558217.db2.gz KUHUWNOMPBSKDZ-CYBMUJFWSA-N -1 3 355.467 4.012 20 0 FIADHM Cc1nccn1-c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cn1 ZINC000761908910 1120575585 /nfs/dbraw/zinc/57/55/85/1120575585.db2.gz ANJQCSAHCYKIQU-UHFFFAOYSA-N -1 3 369.384 4.152 20 0 FIADHM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000914891302 1120628692 /nfs/dbraw/zinc/62/86/92/1120628692.db2.gz NGTBPVDOEPSZAA-SNVBAGLBSA-N -1 3 360.460 4.135 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(SC(C)(C)C)nc3)no2)c1 ZINC000762348252 1120881130 /nfs/dbraw/zinc/88/11/30/1120881130.db2.gz FQFUTADASPHXKI-UHFFFAOYSA-N -1 3 357.435 4.403 20 0 FIADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cc(Cl)cc(Cl)n1 ZINC000762408199 1120902756 /nfs/dbraw/zinc/90/27/56/1120902756.db2.gz BMXHHVDIGCZTPX-UHFFFAOYSA-N -1 3 365.245 4.083 20 0 FIADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)c1C1CC1 ZINC000762476104 1120914601 /nfs/dbraw/zinc/91/46/01/1120914601.db2.gz NBJNPRVGEGYYJG-SSCKCOOKSA-N -1 3 359.495 4.453 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)cc1 ZINC000235206824 1120941735 /nfs/dbraw/zinc/94/17/35/1120941735.db2.gz FSKMTHQRTGIRHH-SECBINFHSA-N -1 3 354.631 4.299 20 0 FIADHM CS[C@H](C)CCC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000762920443 1120997067 /nfs/dbraw/zinc/99/70/67/1120997067.db2.gz PYIPXZFNMWZLFX-PSASIEDQSA-N -1 3 354.497 4.150 20 0 FIADHM CS[C@H](C)CCC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000762920453 1120997111 /nfs/dbraw/zinc/99/71/11/1120997111.db2.gz PYIPXZFNMWZLFX-SCZZXKLOSA-N -1 3 354.497 4.150 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(C3CC3)cn2)s1 ZINC000888281823 1121005895 /nfs/dbraw/zinc/00/58/95/1121005895.db2.gz LIARYOQGAJPDEI-UHFFFAOYSA-N -1 3 360.439 4.015 20 0 FIADHM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000472096459 1121180483 /nfs/dbraw/zinc/18/04/83/1121180483.db2.gz KPLVJRIGOZDPBA-UHFFFAOYSA-N -1 3 365.404 4.120 20 0 FIADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1C(F)(F)F ZINC000055672674 1121263686 /nfs/dbraw/zinc/26/36/86/1121263686.db2.gz VRRIJWKVULRAES-LLVKDONJSA-N -1 3 360.335 4.038 20 0 FIADHM Cc1cc(=O)[n-]c(CSCc2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000763209531 1121280316 /nfs/dbraw/zinc/28/03/16/1121280316.db2.gz RHNZLHJQCGIILT-UHFFFAOYSA-N -1 3 365.458 4.176 20 0 FIADHM Cc1cc(=O)[n-]c(CSCc2csc(CCc3ccccc3)n2)n1 ZINC000763211157 1121281516 /nfs/dbraw/zinc/28/15/16/1121281516.db2.gz DFQFUFCPDZZUKO-UHFFFAOYSA-N -1 3 357.504 4.166 20 0 FIADHM Cc1cc(=O)[n-]c(CSCC(=O)N(c2ccccc2)C2CCCCC2)n1 ZINC000763219206 1121293672 /nfs/dbraw/zinc/29/36/72/1121293672.db2.gz XXMDPMZFSRUFMI-UHFFFAOYSA-N -1 3 371.506 4.090 20 0 FIADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1 ZINC000047445026 1121318122 /nfs/dbraw/zinc/31/81/22/1121318122.db2.gz FIWZPSGOLWNCKX-UHFFFAOYSA-N -1 3 374.755 4.173 20 0 FIADHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1 ZINC000057119305 1121353579 /nfs/dbraw/zinc/35/35/79/1121353579.db2.gz DWLGPRQGYVZGLN-UHFFFAOYSA-N -1 3 372.446 4.177 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCCC2(C)C)sc1Br ZINC000094541873 1121426383 /nfs/dbraw/zinc/42/63/83/1121426383.db2.gz DDHNIOJMTQFXAE-SNVBAGLBSA-N -1 3 366.346 4.066 20 0 FIADHM C[C@H]1CCc2c(sc3[n-]c(COc4ccc(Cl)cc4)nc(=O)c23)C1 ZINC000058787733 1121432222 /nfs/dbraw/zinc/43/22/22/1121432222.db2.gz BCNZPDYNWNDYOY-JTQLQIEISA-N -1 3 360.866 4.342 20 0 FIADHM CCCCN(CC)C(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000061289008 1121513499 /nfs/dbraw/zinc/51/34/99/1121513499.db2.gz VVMACLGQIWKZPA-UHFFFAOYSA-N -1 3 368.503 4.162 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2ccc(Cl)cc21)c1cc(F)ccc1Cl ZINC001213278771 1121543372 /nfs/dbraw/zinc/54/33/72/1121543372.db2.gz KGTUZMPUNQNKCN-CQSZACIVSA-N -1 3 360.237 4.098 20 0 FIADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000126684408 1121552628 /nfs/dbraw/zinc/55/26/28/1121552628.db2.gz ZTGYTBFPPNTKAC-UHFFFAOYSA-N -1 3 364.420 4.174 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c(C)c1 ZINC000063879200 1121592303 /nfs/dbraw/zinc/59/23/03/1121592303.db2.gz PJIATKIMCAFZTM-UHFFFAOYSA-N -1 3 374.487 4.292 20 0 FIADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC)cc2)cc1 ZINC000064467764 1121614562 /nfs/dbraw/zinc/61/45/62/1121614562.db2.gz ZWBJXSJCYLIHLR-UHFFFAOYSA-N -1 3 360.479 4.179 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nc(Sc2ccc(C)cc2)ns1 ZINC000123948009 1121649387 /nfs/dbraw/zinc/64/93/87/1121649387.db2.gz DPELASIZCMHHFO-UHFFFAOYSA-N -1 3 362.505 4.269 20 0 FIADHM Cc1noc([N-]C(=O)c2cccc(Oc3ccc(Cl)c(Cl)c3)n2)n1 ZINC000124695500 1121713915 /nfs/dbraw/zinc/71/39/15/1121713915.db2.gz LQHIHNQNHCWCOW-UHFFFAOYSA-N -1 3 365.176 4.124 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2=CCCC2)cc1 ZINC000125311281 1121767922 /nfs/dbraw/zinc/76/79/22/1121767922.db2.gz OBXKVXWHWOQYCW-UHFFFAOYSA-N -1 3 370.474 4.153 20 0 FIADHM O=C(CCCc1nc(-c2cccs2)no1)Nc1cc(Cl)ccc1[O-] ZINC000067145401 1121770049 /nfs/dbraw/zinc/77/00/49/1121770049.db2.gz KGTXGKUOWHKVQA-UHFFFAOYSA-N -1 3 363.826 4.119 20 0 FIADHM O=C([O-])c1coc(CNCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000902442971 1121770107 /nfs/dbraw/zinc/77/01/07/1121770107.db2.gz ACVQANNAOLVRDE-UHFFFAOYSA-N -1 3 373.758 4.471 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(Br)o1 ZINC000125366701 1121772220 /nfs/dbraw/zinc/77/22/20/1121772220.db2.gz HSCCTKVWJNPIDP-UHFFFAOYSA-N -1 3 350.090 4.019 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2coc(-c3ccc(F)c(F)c3)n2)n1 ZINC000125507912 1121786503 /nfs/dbraw/zinc/78/65/03/1121786503.db2.gz VDAMPZUHADZCFC-UHFFFAOYSA-N -1 3 363.389 4.111 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000067730428 1121792599 /nfs/dbraw/zinc/79/25/99/1121792599.db2.gz VHVIWFGNLQRIBL-OAQYLSRUSA-N -1 3 358.441 4.210 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2c(CC)cccc2CC)n1 ZINC000125656957 1121802407 /nfs/dbraw/zinc/80/24/07/1121802407.db2.gz YUNWMGMYXNXLIG-ZDUSSCGKSA-N -1 3 373.522 4.130 20 0 FIADHM Cc1ccoc1CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127186099 1122060523 /nfs/dbraw/zinc/06/05/23/1122060523.db2.gz JLRPFYBMKZLUCX-UHFFFAOYSA-N -1 3 370.474 4.021 20 0 FIADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC000765845515 1122295352 /nfs/dbraw/zinc/29/53/52/1122295352.db2.gz XFJQPPSJQCYNFP-LLVKDONJSA-N -1 3 367.371 4.226 20 0 FIADHM CC(C)c1nc(C(=O)Nc2cccc([O-])c2F)nn1-c1ccccc1Cl ZINC000128822421 1122422185 /nfs/dbraw/zinc/42/21/85/1122422185.db2.gz DNGLXMAGTIGSDC-UHFFFAOYSA-N -1 3 374.803 4.141 20 0 FIADHM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc([O-])c3F)cc12 ZINC000128958679 1122476693 /nfs/dbraw/zinc/47/66/93/1122476693.db2.gz YSOUXHTZLSUHEM-UHFFFAOYSA-N -1 3 367.405 4.492 20 0 FIADHM O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cc([O-])ccc1Cl ZINC000497935058 1122477572 /nfs/dbraw/zinc/47/75/72/1122477572.db2.gz CUKDUKAPOMKIMX-OAHLLOKOSA-N -1 3 352.217 4.343 20 0 FIADHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2cccc([O-])c2F)s1 ZINC000129066838 1122520410 /nfs/dbraw/zinc/52/04/10/1122520410.db2.gz JYURXKVBKRXKGE-UHFFFAOYSA-N -1 3 356.422 4.453 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc2cc(Br)ccc2o1 ZINC000129081059 1122524772 /nfs/dbraw/zinc/52/47/72/1122524772.db2.gz DGURESFCDWCVRR-UHFFFAOYSA-N -1 3 350.143 4.292 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Br)c(F)c1 ZINC000498031704 1122532610 /nfs/dbraw/zinc/53/26/10/1122532610.db2.gz AZYXKMWLJLELEP-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1cccc([O-])c1F ZINC000129133942 1122542144 /nfs/dbraw/zinc/54/21/44/1122542144.db2.gz JKHXWFTXYQQFFT-ZDUSSCGKSA-N -1 3 366.392 4.328 20 0 FIADHM O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc([O-])c1F ZINC000129469625 1122608617 /nfs/dbraw/zinc/60/86/17/1122608617.db2.gz KYFGJMBKFBPNKD-UHFFFAOYSA-N -1 3 360.772 4.411 20 0 FIADHM Cc1cnc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000129498914 1122615536 /nfs/dbraw/zinc/61/55/36/1122615536.db2.gz WDAKJNZNEGJGRF-UHFFFAOYSA-N -1 3 362.414 4.020 20 0 FIADHM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc([O-])c3F)c12 ZINC000129688602 1122670213 /nfs/dbraw/zinc/67/02/13/1122670213.db2.gz JLPWOJCHIICGQI-UHFFFAOYSA-N -1 3 363.348 4.295 20 0 FIADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000556191697 1122724284 /nfs/dbraw/zinc/72/42/84/1122724284.db2.gz KNTMCOOLOWOJAY-UHFFFAOYSA-N -1 3 356.451 4.494 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000556867156 1123149879 /nfs/dbraw/zinc/14/98/79/1123149879.db2.gz ZQRGMBVZOXNLFO-QGZVFWFLSA-N -1 3 355.743 4.035 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)CC3CCCC3)c2)n1 ZINC000074483016 1123367894 /nfs/dbraw/zinc/36/78/94/1123367894.db2.gz KGZCGKZYOPXGJB-CQSZACIVSA-N -1 3 353.466 4.154 20 0 FIADHM O=C([N-][C@H]1CCSc2ccc(F)cc21)C(F)(F)c1ccc(F)cc1 ZINC000920842349 1123527332 /nfs/dbraw/zinc/52/73/32/1123527332.db2.gz BPOOFVHDAXBOBZ-AWEZNQCLSA-N -1 3 355.356 4.410 20 0 FIADHM O=C([N-][C@@H]1CCOc2c(Cl)cccc21)C(F)(F)c1ccc(F)cc1 ZINC000920845114 1123528487 /nfs/dbraw/zinc/52/84/87/1123528487.db2.gz NETQTNXPGUVRIG-CQSZACIVSA-N -1 3 355.743 4.211 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1OC(F)F ZINC000920845029 1123528716 /nfs/dbraw/zinc/52/87/16/1123528716.db2.gz JVGSYDQJTYUSFU-JTQLQIEISA-N -1 3 359.294 4.396 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1SCCc2sccc21 ZINC000134221055 1123609106 /nfs/dbraw/zinc/60/91/06/1123609106.db2.gz KORXNNUXKKVRIR-CYBMUJFWSA-N -1 3 359.394 4.442 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3c(F)cccc3Cl)s2)cc1 ZINC000136323443 1123878766 /nfs/dbraw/zinc/87/87/66/1123878766.db2.gz UOMVGEDPFHVDQG-UHFFFAOYSA-N -1 3 363.801 4.259 20 0 FIADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000615251316 1123976933 /nfs/dbraw/zinc/97/69/33/1123976933.db2.gz BSHFBPUBBQISNK-CQSZACIVSA-N -1 3 363.788 4.230 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000615293061 1123984958 /nfs/dbraw/zinc/98/49/58/1123984958.db2.gz CUGIGTLWEAGEGM-QMMMGPOBSA-N -1 3 366.216 4.311 20 0 FIADHM Cc1cccc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCCCC2)c1 ZINC000615346168 1123990184 /nfs/dbraw/zinc/99/01/84/1123990184.db2.gz UKPVRQSTSZOOFO-UHFFFAOYSA-N -1 3 361.449 4.016 20 0 FIADHM Cc1cccc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCCCC2)c1 ZINC000615346168 1123990185 /nfs/dbraw/zinc/99/01/85/1123990185.db2.gz UKPVRQSTSZOOFO-UHFFFAOYSA-N -1 3 361.449 4.016 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@H](C)C3CC3)cc2)cc1 ZINC000068005733 1124012834 /nfs/dbraw/zinc/01/28/34/1124012834.db2.gz JKXJCXSDQVKHRK-HNNXBMFYSA-N -1 3 372.490 4.171 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000081755213 1124134595 /nfs/dbraw/zinc/13/45/95/1124134595.db2.gz CGRHIAODVDIHKG-UHFFFAOYSA-N -1 3 355.781 4.225 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C ZINC000615958211 1124185931 /nfs/dbraw/zinc/18/59/31/1124185931.db2.gz HCAZSQSBPLPCPT-UHFFFAOYSA-N -1 3 374.487 4.318 20 0 FIADHM O=c1cc(CNC2(c3ccc(F)cc3F)CCCC2)c2ccc([O-])cc2o1 ZINC000180263023 1124281341 /nfs/dbraw/zinc/28/13/41/1124281341.db2.gz RUJYXZIEYDJUKR-UHFFFAOYSA-N -1 3 371.383 4.336 20 0 FIADHM COc1cc(CN(C)Cc2cccc(Cl)c2[O-])c(SC)cc1OC ZINC000180404370 1124307298 /nfs/dbraw/zinc/30/72/98/1124307298.db2.gz LIJHWVKBMZOASO-UHFFFAOYSA-N -1 3 367.898 4.417 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccc(F)n1 ZINC000180744243 1124415754 /nfs/dbraw/zinc/41/57/54/1124415754.db2.gz STYRIDCLNQJZAB-UHFFFAOYSA-N -1 3 365.389 4.455 20 0 FIADHM COc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(C2CC2)cc1Cl ZINC000656126016 1124722701 /nfs/dbraw/zinc/72/27/01/1124722701.db2.gz BJSSELZUMZPCSW-UHFFFAOYSA-N -1 3 373.762 4.353 20 0 FIADHM COc1ccc2nc(-c3cc(Cl)c(OC(C)C)c(OC)c3)[n-]c(=O)c2c1 ZINC000063580800 1124932871 /nfs/dbraw/zinc/93/28/71/1124932871.db2.gz PUNKZYOCTLEVIM-UHFFFAOYSA-N -1 3 374.824 4.048 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3scnc3C3CC3)s2)cc1 ZINC000089804884 1124945509 /nfs/dbraw/zinc/94/55/09/1124945509.db2.gz VJAGRGHFWCAWKS-UHFFFAOYSA-N -1 3 356.476 4.024 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000064343051 1124990304 /nfs/dbraw/zinc/99/03/04/1124990304.db2.gz YGCXROURXRVXDW-UHFFFAOYSA-N -1 3 374.227 4.304 20 0 FIADHM COc1ccc([C@H]2CCCN2C(=O)c2cc(SC)ccc2[O-])cc1F ZINC000618387899 1125159552 /nfs/dbraw/zinc/15/95/52/1125159552.db2.gz FDXWHIGSRLQBAC-MRXNPFEDSA-N -1 3 361.438 4.239 20 0 FIADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000465982326 1125165416 /nfs/dbraw/zinc/16/54/16/1125165416.db2.gz MJYGVTNZNUNXRT-MZKGEVEHSA-N -1 3 362.832 4.381 20 0 FIADHM C[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)[C@H]1C ZINC000253551343 1125251505 /nfs/dbraw/zinc/25/15/05/1125251505.db2.gz RFTDHZGDOUYEMW-NEPJUHHUSA-N -1 3 357.454 4.433 20 0 FIADHM [O-]c1c(F)cc(F)cc1Nc1ncc(Br)cc1OC(F)F ZINC001212479889 1125294144 /nfs/dbraw/zinc/29/41/44/1125294144.db2.gz XJOPZFFUTIGSPF-UHFFFAOYSA-N -1 3 367.096 4.173 20 0 FIADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccccc1[O-] ZINC000048345547 205159014 /nfs/dbraw/zinc/15/90/14/205159014.db2.gz YOPBJSBAWZWSQL-SNVBAGLBSA-N -1 3 352.253 4.274 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)c4ccco4)nc(=O)c23)cc1C ZINC000053845090 205197067 /nfs/dbraw/zinc/19/70/67/205197067.db2.gz NCRVPRNKJQLSFN-UHFFFAOYSA-N -1 3 364.426 4.287 20 0 FIADHM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000055595062 205221334 /nfs/dbraw/zinc/22/13/34/205221334.db2.gz TUYAHJXPTDUYLW-UHFFFAOYSA-N -1 3 360.479 4.070 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000064374639 205297065 /nfs/dbraw/zinc/29/70/65/205297065.db2.gz LGRFBPSJKURPDE-UHFFFAOYSA-N -1 3 365.760 4.168 20 0 FIADHM CCc1nnc([N-]C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)s1 ZINC000127389942 206119242 /nfs/dbraw/zinc/11/92/42/206119242.db2.gz DJTFAPVOSJGGGR-UHFFFAOYSA-N -1 3 373.463 4.058 20 0 FIADHM CCc1nocc1C(=O)[N-]c1ccc(F)c(C(=O)OC(C)(C)C)c1Cl ZINC000602400121 567975690 /nfs/dbraw/zinc/97/56/90/567975690.db2.gz HDXANHDKGCTUKZ-UHFFFAOYSA-N -1 3 368.792 4.237 20 0 FIADHM Cc1ccc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1C ZINC000051468131 567979671 /nfs/dbraw/zinc/97/96/71/567979671.db2.gz SXHIMYNUXKVLPM-RXVVDRJESA-N -1 3 353.462 4.249 20 0 FIADHM CSC1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000602920868 568013274 /nfs/dbraw/zinc/01/32/74/568013274.db2.gz RMMCZIIQDNXEDR-UHFFFAOYSA-N -1 3 371.531 4.391 20 0 FIADHM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cncc2ccccc21 ZINC000533939136 568272045 /nfs/dbraw/zinc/27/20/45/568272045.db2.gz RLBOTRXFFRVALM-UHFFFAOYSA-N -1 3 366.364 4.196 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1C ZINC000303481405 568285199 /nfs/dbraw/zinc/28/51/99/568285199.db2.gz KKPSLWXIVLKRAT-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c(C)c1 ZINC000303576064 568293138 /nfs/dbraw/zinc/29/31/38/568293138.db2.gz ZJFPPZYYMMTJEZ-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1nc([C@@H]2CCOC2)sc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000637082135 568349914 /nfs/dbraw/zinc/34/99/14/568349914.db2.gz SBDHGMRNXIHHGN-MRVPVSSYSA-N -1 3 358.797 4.139 20 0 FIADHM CC[C@@H](C)[C@@H](C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1)c1ccccc1 ZINC000604901296 568384797 /nfs/dbraw/zinc/38/47/97/568384797.db2.gz WILIZSAELLULGF-QVKFZJNVSA-N -1 3 363.461 4.276 20 0 FIADHM COCCn1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c2ccccc21 ZINC000604901758 568384988 /nfs/dbraw/zinc/38/49/88/568384988.db2.gz HMBYUJPXRBOGPE-UHFFFAOYSA-N -1 3 358.825 4.207 20 0 FIADHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(Cl)cc(C)c3[O-])c2)n1 ZINC000604901814 568385023 /nfs/dbraw/zinc/38/50/23/568385023.db2.gz QPTCNRARLGZTBJ-UHFFFAOYSA-N -1 3 369.852 4.468 20 0 FIADHM Fc1cc(Br)ccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000604933253 568395394 /nfs/dbraw/zinc/39/53/94/568395394.db2.gz QRYLWSICFNEEII-UHFFFAOYSA-N -1 3 365.231 4.061 20 0 FIADHM COc1ccc(-c2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1OC ZINC000006967122 568407294 /nfs/dbraw/zinc/40/72/94/568407294.db2.gz MYPHCHDUDABRCK-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc2cc(F)ccc2o1 ZINC000605179897 568604880 /nfs/dbraw/zinc/60/48/80/568604880.db2.gz GWWZCGJRXCGTGV-UHFFFAOYSA-N -1 3 356.744 4.263 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000619324422 1125569369 /nfs/dbraw/zinc/56/93/69/1125569369.db2.gz TWSQNQCPKCPIOM-UKRRQHHQSA-N -1 3 354.454 4.105 20 0 FIADHM COc1ccc(N[C@@H](C)c2ccc(F)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000182732267 1125607670 /nfs/dbraw/zinc/60/76/70/1125607670.db2.gz UGVLZTGLBUVASV-JTQLQIEISA-N -1 3 372.849 4.032 20 0 FIADHM COc1ccc(N[C@H](C)c2ccc(F)cc2Cl)cc1[N-]S(C)(=O)=O ZINC000182732288 1125608213 /nfs/dbraw/zinc/60/82/13/1125608213.db2.gz UGVLZTGLBUVASV-SNVBAGLBSA-N -1 3 372.849 4.032 20 0 FIADHM CC(C)(C)c1ncsc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000255035768 1125618909 /nfs/dbraw/zinc/61/89/09/1125618909.db2.gz DAMSAACETDOYQN-SREVYHEPSA-N -1 3 360.464 4.308 20 0 FIADHM O=C([N-]OCc1cccnc1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000183096173 1125751175 /nfs/dbraw/zinc/75/11/75/1125751175.db2.gz DPKOIUBKLMKGCW-UHFFFAOYSA-N -1 3 374.853 4.036 20 0 FIADHM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654700581 1079521913 /nfs/dbraw/zinc/52/19/13/1079521913.db2.gz UXEMRMVIPBEXCR-SFHVURJKSA-N -1 3 367.493 4.323 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(OC3CCCC3)c2)cc1 ZINC000683170764 1079797627 /nfs/dbraw/zinc/79/76/27/1079797627.db2.gz ADIZRXQVZMRKFI-OAQYLSRUSA-N -1 3 369.461 4.322 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccccc3)s2)cc1 ZINC000683172030 1079801918 /nfs/dbraw/zinc/80/19/18/1079801918.db2.gz ULRXINHDOPZWHD-GOSISDBHSA-N -1 3 368.458 4.124 20 0 FIADHM CCSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000610194110 1079898892 /nfs/dbraw/zinc/89/88/92/1079898892.db2.gz NUTXYAGHNLITEQ-ZDUSSCGKSA-N -1 3 363.504 4.064 20 0 FIADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)n1 ZINC000683200191 1079933729 /nfs/dbraw/zinc/93/37/29/1079933729.db2.gz RPORPOVGHLOKND-UHFFFAOYSA-N -1 3 365.327 4.385 20 0 FIADHM CCCCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175766501 1080213871 /nfs/dbraw/zinc/21/38/71/1080213871.db2.gz JIBGJCUHCRPCRN-UHFFFAOYSA-N -1 3 366.889 4.193 20 0 FIADHM COc1cccc(CN(CC(C)C)C(=O)c2cc(SC)ccc2[O-])c1 ZINC001625821808 1080306831 /nfs/dbraw/zinc/30/68/31/1080306831.db2.gz USJHFDFPSNHRLX-UHFFFAOYSA-N -1 3 359.491 4.421 20 0 FIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000275031640 1080392131 /nfs/dbraw/zinc/39/21/31/1080392131.db2.gz CJXSOGWBLCKHHT-UHFFFAOYSA-N -1 3 374.853 4.208 20 0 FIADHM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3ncccc3[O-])c2)C1 ZINC000471240641 1080517557 /nfs/dbraw/zinc/51/75/57/1080517557.db2.gz AFPSSYRIVAAQAI-YJBOKZPZSA-N -1 3 369.465 4.204 20 0 FIADHM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3ncccc3[O-])c2)C1 ZINC000471240638 1080517857 /nfs/dbraw/zinc/51/78/57/1080517857.db2.gz AFPSSYRIVAAQAI-CRAIPNDOSA-N -1 3 369.465 4.204 20 0 FIADHM O=S(=O)([N-]c1ccccc1F)c1ccc(Br)c(Cl)c1 ZINC000443467329 1080560152 /nfs/dbraw/zinc/56/01/52/1080560152.db2.gz QZFQLBPHSRILQQ-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM Cc1nonc1C(=O)[N-]c1nc(-c2cccc3ccccc32)c(C)s1 ZINC001625842422 1080614087 /nfs/dbraw/zinc/61/40/87/1080614087.db2.gz WNINGNYGOIHBCP-UHFFFAOYSA-N -1 3 350.403 4.215 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000579885880 1080653090 /nfs/dbraw/zinc/65/30/90/1080653090.db2.gz OQQNLAWHTQRPPY-NSHDSACASA-N -1 3 367.323 4.020 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)c4occc43)nc21 ZINC001266467173 1080931520 /nfs/dbraw/zinc/93/15/20/1080931520.db2.gz HTLCAJGUBQDEDB-UHFFFAOYSA-N -1 3 369.764 4.001 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H]3C[C@H](C)CC(C)(C)C3)nc21 ZINC001266467330 1080931607 /nfs/dbraw/zinc/93/16/07/1080931607.db2.gz NJWNXCMZDAZLOT-STQMWFEESA-N -1 3 357.454 4.141 20 0 FIADHM COc1c(C)cc(Cl)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001167277982 1080941293 /nfs/dbraw/zinc/94/12/93/1080941293.db2.gz AZJOPGDVPNEOKE-UHFFFAOYSA-N -1 3 351.805 4.463 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)sc1C ZINC000683571910 1081131369 /nfs/dbraw/zinc/13/13/69/1081131369.db2.gz HTOZHMNXFQADKX-UHFFFAOYSA-N -1 3 368.846 4.323 20 0 FIADHM [O-]c1c(Br)cccc1CNCc1cc(-c2ccccc2)on1 ZINC000238025509 1081144895 /nfs/dbraw/zinc/14/48/95/1081144895.db2.gz KKUYMGQRSDSSHV-UHFFFAOYSA-N -1 3 359.223 4.100 20 0 FIADHM CCc1nnc([N-]C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)s1 ZINC000109833640 1081185020 /nfs/dbraw/zinc/18/50/20/1081185020.db2.gz FNMSHFRIJDOBID-UHFFFAOYSA-N -1 3 374.491 4.264 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(Sc2ccccc2)c1 ZINC000683613485 1081224438 /nfs/dbraw/zinc/22/44/38/1081224438.db2.gz MXEMOHTTZPVYGE-CQSZACIVSA-N -1 3 366.364 4.215 20 0 FIADHM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC001125413291 1081546793 /nfs/dbraw/zinc/54/67/93/1081546793.db2.gz VSSRBFQANOCWOC-UHFFFAOYSA-N -1 3 370.718 4.298 20 0 FIADHM [O-]c1ccc(F)c(CN[C@H]2CCCc3cc(OC(F)F)ccc32)c1F ZINC000510320655 1081799212 /nfs/dbraw/zinc/79/92/12/1081799212.db2.gz QBVWBHQRLWBRKH-HNNXBMFYSA-N -1 3 355.331 4.439 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)c1 ZINC000122759995 1081951505 /nfs/dbraw/zinc/95/15/05/1081951505.db2.gz BMLBMBGUGJKWQY-IBGZPJMESA-N -1 3 352.434 4.026 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(SC(F)(F)F)cc1 ZINC000064937655 1081964764 /nfs/dbraw/zinc/96/47/64/1081964764.db2.gz MLGBHMVBEDEBSX-UHFFFAOYSA-N -1 3 369.336 4.378 20 0 FIADHM C[C@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001266625773 1082027864 /nfs/dbraw/zinc/02/78/64/1082027864.db2.gz MCNHTTQWNPRFIV-APPDUMDISA-N -1 3 351.343 4.496 20 0 FIADHM O=C(Nc1cccc(CNCc2c(F)ccc([O-])c2F)c1)C1CCCCC1 ZINC000510335447 1082111095 /nfs/dbraw/zinc/11/10/95/1082111095.db2.gz HCLHSQWPTNGXFO-UHFFFAOYSA-N -1 3 374.431 4.479 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C/C=C\c3ccc(F)cc3)cc2)n1 ZINC000255886305 1082214353 /nfs/dbraw/zinc/21/43/53/1082214353.db2.gz TWRWAAAQGOGYHO-IHWYPQMZSA-N -1 3 363.392 4.339 20 0 FIADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000588399306 1082344300 /nfs/dbraw/zinc/34/43/00/1082344300.db2.gz KJGUOXZFHBBKFX-QINSGFPZSA-N -1 3 359.429 4.096 20 0 FIADHM [O-]c1cccc(CNC2(c3ccc(F)cc3)CCC2)c1Br ZINC000656494582 1082487552 /nfs/dbraw/zinc/48/75/52/1082487552.db2.gz OWAMJAFPQQRJOS-UHFFFAOYSA-N -1 3 350.231 4.463 20 0 FIADHM CCc1ccc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000276177955 1082541896 /nfs/dbraw/zinc/54/18/96/1082541896.db2.gz GIAWJPJCBVCCAQ-XLIONFOSSA-N -1 3 357.425 4.086 20 0 FIADHM COCc1csc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000656566130 1082582026 /nfs/dbraw/zinc/58/20/26/1082582026.db2.gz DZQKQYLTLSBBNT-HNNXBMFYSA-N -1 3 373.396 4.219 20 0 FIADHM CCc1cccc2cc(CN[C@H](CC(=O)[O-])c3ccc(OC)cc3)oc21 ZINC000656565776 1082582935 /nfs/dbraw/zinc/58/29/35/1082582935.db2.gz TZXQJLBZRSTMEG-LJQANCHMSA-N -1 3 353.418 4.309 20 0 FIADHM O=C(NCC1CCN(c2ccccc2)CC1)c1cc([O-])c2ccccc2c1 ZINC000505714132 1082635476 /nfs/dbraw/zinc/63/54/76/1082635476.db2.gz QLVPTVVDBIPNSX-UHFFFAOYSA-N -1 3 360.457 4.192 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3cccs3)n2)[C@H]2CCCC[C@H]12 ZINC000656763199 1082754744 /nfs/dbraw/zinc/75/47/44/1082754744.db2.gz FEBSBHGEXATHRP-KFWWJZLASA-N -1 3 362.520 4.337 20 0 FIADHM O=C([O-])[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)[C@@H]2CCCC[C@H]12 ZINC000656763767 1082756906 /nfs/dbraw/zinc/75/69/06/1082756906.db2.gz HRFOSSAOMXQETB-XJKCOSOUSA-N -1 3 372.292 4.338 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656765843 1082760128 /nfs/dbraw/zinc/76/01/28/1082760128.db2.gz PJKHCTAAISTBPO-RCCFBDPRSA-N -1 3 374.481 4.415 20 0 FIADHM CC(C)CCc1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cs1 ZINC000656769203 1082760625 /nfs/dbraw/zinc/76/06/25/1082760625.db2.gz YUOJGBMXQWDFKY-IKGGRYGDSA-N -1 3 350.528 4.197 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656768932 1082761947 /nfs/dbraw/zinc/76/19/47/1082761947.db2.gz OLEXHZABEJGDPD-XYPHTWIQSA-N -1 3 372.292 4.400 20 0 FIADHM Cc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)cs2)o1 ZINC000656769183 1082761999 /nfs/dbraw/zinc/76/19/99/1082761999.db2.gz YSPSORCWIXMYEC-PMPSAXMXSA-N -1 3 360.479 4.177 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(OCc2cscn2)c1 ZINC000581841105 1082922747 /nfs/dbraw/zinc/92/27/47/1082922747.db2.gz RGGWUEZXNRTHGM-UHFFFAOYSA-N -1 3 360.822 4.333 20 0 FIADHM CCc1nn(C)c(OC)c1CN[C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000156438063 1082926703 /nfs/dbraw/zinc/92/67/03/1082926703.db2.gz OCHWSGXDONUPCZ-ZDUSSCGKSA-N -1 3 372.296 4.244 20 0 FIADHM COc1ccc(CNCc2c(F)ccc([O-])c2F)cc1OC1CCCC1 ZINC000510670343 1083232531 /nfs/dbraw/zinc/23/25/31/1083232531.db2.gz WTSNKOMUGGEPMB-UHFFFAOYSA-N -1 3 363.404 4.290 20 0 FIADHM O=C(CSCc1ccc(F)cc1)Nc1cc(Br)ccc1[O-] ZINC000610661049 1083300414 /nfs/dbraw/zinc/30/04/14/1083300414.db2.gz YJXFHNOFEQGAJT-UHFFFAOYSA-N -1 3 370.243 4.166 20 0 FIADHM COc1ccccc1OC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000065105638 1083362419 /nfs/dbraw/zinc/36/24/19/1083362419.db2.gz ZNZAXAQXNLCZMT-UHFFFAOYSA-N -1 3 373.206 4.067 20 0 FIADHM COc1ccccc1OC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000065105638 1083362428 /nfs/dbraw/zinc/36/24/28/1083362428.db2.gz ZNZAXAQXNLCZMT-UHFFFAOYSA-N -1 3 373.206 4.067 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000092263209 1083368518 /nfs/dbraw/zinc/36/85/18/1083368518.db2.gz XRRJSYXTBKSMOY-GFCCVEGCSA-N -1 3 367.389 4.168 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Cl ZINC000431166766 1083373232 /nfs/dbraw/zinc/37/32/32/1083373232.db2.gz APOMWFGNKVSBTH-UHFFFAOYSA-N -1 3 367.801 4.280 20 0 FIADHM Cc1nnc([N-]C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)s1 ZINC000510909566 1083386520 /nfs/dbraw/zinc/38/65/20/1083386520.db2.gz AYLCQAOVMKMJII-UHFFFAOYSA-N -1 3 370.381 4.241 20 0 FIADHM O=C(CC1CCOCC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093868 1083440317 /nfs/dbraw/zinc/44/03/17/1083440317.db2.gz VMRBTSGYUPMYCZ-UHFFFAOYSA-N -1 3 368.458 4.424 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(Cl)c2)cc1 ZINC000030532162 1083499800 /nfs/dbraw/zinc/49/98/00/1083499800.db2.gz DQRBPBWGJSHIIE-UHFFFAOYSA-N -1 3 369.870 4.184 20 0 FIADHM O=C(Nc1ncccc1[O-])c1oc2ccccc2c1COc1ccccc1 ZINC000215656720 1083918233 /nfs/dbraw/zinc/91/82/33/1083918233.db2.gz YKWFJIQZYAOHIC-UHFFFAOYSA-N -1 3 360.369 4.365 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cc(F)ccc2-c2ccoc2)c([O-])c1 ZINC000472444495 1083928927 /nfs/dbraw/zinc/92/89/27/1083928927.db2.gz RAQKXUDPHBTIAF-UHFFFAOYSA-N -1 3 369.348 4.220 20 0 FIADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN[C@@H](C)CCCC(=O)[O-] ZINC000277187626 1083976134 /nfs/dbraw/zinc/97/61/34/1083976134.db2.gz FSWZAZHZEODCIU-AWEZNQCLSA-N -1 3 363.889 4.184 20 0 FIADHM CC[C@@H](CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)CC(F)F ZINC000657225163 1083989190 /nfs/dbraw/zinc/98/91/90/1083989190.db2.gz XNYHDEMEEBQKCF-LLVKDONJSA-N -1 3 364.421 4.295 20 0 FIADHM CC(C)n1cc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC000277263044 1084096900 /nfs/dbraw/zinc/09/69/00/1084096900.db2.gz KWSIWFISGAPLNP-MRXNPFEDSA-N -1 3 370.280 4.467 20 0 FIADHM Cc1cccc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1Br ZINC000533857794 1084110899 /nfs/dbraw/zinc/11/08/99/1084110899.db2.gz HOAOOLIZGLDLDQ-UHFFFAOYSA-N -1 3 370.250 4.130 20 0 FIADHM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)n1 ZINC000071894760 1084250872 /nfs/dbraw/zinc/25/08/72/1084250872.db2.gz NPFKNCKOFZNFHE-UHFFFAOYSA-N -1 3 369.490 4.215 20 0 FIADHM Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(OCc2ccccc2)c1 ZINC000155828032 1084261183 /nfs/dbraw/zinc/26/11/83/1084261183.db2.gz LHWLEUGGEQYZRW-IBGZPJMESA-N -1 3 356.422 4.154 20 0 FIADHM Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(OCc2ccccc2)c1 ZINC000155828032 1084261194 /nfs/dbraw/zinc/26/11/94/1084261194.db2.gz LHWLEUGGEQYZRW-IBGZPJMESA-N -1 3 356.422 4.154 20 0 FIADHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000431815719 1084657740 /nfs/dbraw/zinc/65/77/40/1084657740.db2.gz WZLREHZZTZOTPY-SNVBAGLBSA-N -1 3 357.759 4.425 20 0 FIADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCCC[C@@H](C)C(=O)[O-] ZINC000277507410 1084740753 /nfs/dbraw/zinc/74/07/53/1084740753.db2.gz XZSLEEMFXVNIAC-CQSZACIVSA-N -1 3 363.889 4.041 20 0 FIADHM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000332721420 1084788581 /nfs/dbraw/zinc/78/85/81/1084788581.db2.gz ZKSLCGKQWCEWBU-YOEHRIQHSA-N -1 3 354.454 4.248 20 0 FIADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cccc(F)c1F ZINC000134252991 1085015509 /nfs/dbraw/zinc/01/55/09/1085015509.db2.gz VZKFDBJIIKJHRL-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC001137582711 1085452086 /nfs/dbraw/zinc/45/20/86/1085452086.db2.gz XXIAYSHVPALZLG-LJQANCHMSA-N -1 3 368.449 4.047 20 0 FIADHM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000045343275 1085525433 /nfs/dbraw/zinc/52/54/33/1085525433.db2.gz NGJSEIOYCJEBPG-UHFFFAOYSA-N -1 3 365.454 4.013 20 0 FIADHM CCc1ccc([C@H]2CCN(c3ccc(-c4nc(CC)cc(=O)[n-]4)cn3)C2)cc1 ZINC000431496854 1085811538 /nfs/dbraw/zinc/81/15/38/1085811538.db2.gz VMZOKWRSPPSTPT-IBGZPJMESA-N -1 3 374.488 4.363 20 0 FIADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc(C)ccc2o1 ZINC000125558548 1085815580 /nfs/dbraw/zinc/81/55/80/1085815580.db2.gz MAFUFHSOLJFUQT-OAHLLOKOSA-N -1 3 362.385 4.101 20 0 FIADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582913591 1085914927 /nfs/dbraw/zinc/91/49/27/1085914927.db2.gz NAUAGNSBLNGDPJ-UHFFFAOYSA-N -1 3 373.840 4.287 20 0 FIADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470657 1086084950 /nfs/dbraw/zinc/08/49/50/1086084950.db2.gz DSAKOMYBCBTMRO-SJCJKPOMSA-N -1 3 365.351 4.330 20 0 FIADHM O=C([O-])[C@@H]1CN(CCCc2ccc(C(F)(F)F)cc2)Cc2ccccc21 ZINC000652469869 1086089108 /nfs/dbraw/zinc/08/91/08/1086089108.db2.gz HGFXOCYSHXIVMX-GOSISDBHSA-N -1 3 363.379 4.322 20 0 FIADHM Cc1nc([C@H](C)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000652497361 1086132053 /nfs/dbraw/zinc/13/20/53/1086132053.db2.gz SXQLLQBIMVZNPW-PVXIVEMSSA-N -1 3 362.857 4.407 20 0 FIADHM O=c1[n-]c(CN2CCSC3(CCCCC3)C2)nc2c3ccccc3oc21 ZINC000079504076 1086177160 /nfs/dbraw/zinc/17/71/60/1086177160.db2.gz YCIUPQFCDBPBTH-UHFFFAOYSA-N -1 3 369.490 4.333 20 0 FIADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CC2CC1(c1ccccc1)C2 ZINC000663316907 1086404282 /nfs/dbraw/zinc/40/42/82/1086404282.db2.gz ITLKYAVANTXBAM-UHFFFAOYSA-N -1 3 360.413 4.161 20 0 FIADHM O=C(NCC1(c2ccccc2)CCCCCC1)c1cc2c(cc1[O-])OCO2 ZINC001143528039 1086598299 /nfs/dbraw/zinc/59/82/99/1086598299.db2.gz BRBAUOHKNHDRAU-UHFFFAOYSA-N -1 3 367.445 4.143 20 0 FIADHM Cc1c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cnn1C1CCCCC1 ZINC000512004532 1086630031 /nfs/dbraw/zinc/63/00/31/1086630031.db2.gz BBXIJHRJJCGVEK-UHFFFAOYSA-N -1 3 363.465 4.069 20 0 FIADHM C[C@@H](OCC1CC1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093095495 1086669789 /nfs/dbraw/zinc/66/97/89/1086669789.db2.gz RQQPCCFRNJAWOO-GFCCVEGCSA-N -1 3 368.458 4.423 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000061035525 1086689981 /nfs/dbraw/zinc/68/99/81/1086689981.db2.gz DNPPURXMERAOAC-UHFFFAOYSA-N -1 3 358.507 4.341 20 0 FIADHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000512146330 1086836828 /nfs/dbraw/zinc/83/68/28/1086836828.db2.gz ZOSFVAJOHMDDIU-UHFFFAOYSA-N -1 3 364.319 4.311 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000536104046 1086918811 /nfs/dbraw/zinc/91/88/11/1086918811.db2.gz UYIMKKSMAJJMDR-CHWSQXEVSA-N -1 3 350.187 4.036 20 0 FIADHM COc1ccc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)c(C)c1OC ZINC000583854341 1086995232 /nfs/dbraw/zinc/99/52/32/1086995232.db2.gz KEIBFNAYNYDZQB-CQSZACIVSA-N -1 3 365.429 4.362 20 0 FIADHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCc3ccc(-c4ccccc4)cc32)s1 ZINC001211603326 1087052375 /nfs/dbraw/zinc/05/23/75/1087052375.db2.gz XBAJKXLWNUUBLL-SFHVURJKSA-N -1 3 370.499 4.084 20 0 FIADHM O=C([O-])c1ccc(Br)cc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000583940235 1087052674 /nfs/dbraw/zinc/05/26/74/1087052674.db2.gz WCLGEGSVKLSYTH-SFHVURJKSA-N -1 3 364.283 4.470 20 0 FIADHM CC(C)(c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1)C(F)(F)F ZINC000584269712 1087239521 /nfs/dbraw/zinc/23/95/21/1087239521.db2.gz OUJRIJMKYOKUGS-UHFFFAOYSA-N -1 3 364.327 4.157 20 0 FIADHM CCc1cccc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c1[O-] ZINC000081798497 1087331421 /nfs/dbraw/zinc/33/14/21/1087331421.db2.gz QIGOLOKVAFRMRP-RUZDIDTESA-N -1 3 359.491 4.254 20 0 FIADHM O=C(/C=C\SCc1ccco1)Nc1cc(Br)ccc1[O-] ZINC000255596707 1087409710 /nfs/dbraw/zinc/40/97/10/1087409710.db2.gz HPIDQWVBZVTUOD-ALCCZGGFSA-N -1 3 354.225 4.133 20 0 FIADHM C[C@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCO1 ZINC000093094869 1087451701 /nfs/dbraw/zinc/45/17/01/1087451701.db2.gz ZOZNBZOGWBUJDA-LJQANCHMSA-N -1 3 354.431 4.177 20 0 FIADHM O=C(NCc1cccc(COCc2ccco2)c1)c1cc([O-])ccc1Cl ZINC000685609484 1087640255 /nfs/dbraw/zinc/64/02/55/1087640255.db2.gz LOHAGOPGFFXQRH-UHFFFAOYSA-N -1 3 371.820 4.285 20 0 FIADHM O=C([O-])CC[C@H]1CCCCN1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000424264690 1087887301 /nfs/dbraw/zinc/88/73/01/1087887301.db2.gz UNYVTNIWOZOVFK-GOSISDBHSA-N -1 3 372.509 4.072 20 0 FIADHM Cc1cn2cc(C(=O)[N-]c3nnc(-c4cc(C)cc(C)c4)s3)sc2n1 ZINC000505207740 1088258652 /nfs/dbraw/zinc/25/86/52/1088258652.db2.gz VAMKDEQHQAOIKH-UHFFFAOYSA-N -1 3 369.475 4.092 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c(C)c1 ZINC000505270997 1088309425 /nfs/dbraw/zinc/30/94/25/1088309425.db2.gz BRZTZQNJUXHJCM-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623019490 1088503935 /nfs/dbraw/zinc/50/39/35/1088503935.db2.gz WOPRVYSCSUYXOU-INIZCTEOSA-N -1 3 352.356 4.419 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(C(F)(F)F)cc1 ZINC000468544328 1088758539 /nfs/dbraw/zinc/75/85/39/1088758539.db2.gz VWLIPQBGFVXLRT-UHFFFAOYSA-N -1 3 355.331 4.189 20 0 FIADHM COc1ccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c(Cl)c1 ZINC001211647543 1088778122 /nfs/dbraw/zinc/77/81/22/1088778122.db2.gz UYVONAMEXGIAQL-UHFFFAOYSA-N -1 3 363.200 4.477 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C)c3Cl)c2)n1 ZINC000169057234 1088787283 /nfs/dbraw/zinc/78/72/83/1088787283.db2.gz JDMZCYIWEQJIHI-UHFFFAOYSA-N -1 3 367.836 4.213 20 0 FIADHM CC(C)C[C@H](N)c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000414612023 1088867133 /nfs/dbraw/zinc/86/71/33/1088867133.db2.gz CQTSAUVESAHRSE-KRWDZBQOSA-N -1 3 353.422 4.067 20 0 FIADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000434630343 1088872245 /nfs/dbraw/zinc/87/22/45/1088872245.db2.gz KSEOEHWXTRDHMY-UHFFFAOYSA-N -1 3 360.262 4.420 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000659797850 1088879267 /nfs/dbraw/zinc/87/92/67/1088879267.db2.gz PUVACEFVLAQZIR-LSDHHAIUSA-N -1 3 368.235 4.433 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000514202464 1088882245 /nfs/dbraw/zinc/88/22/45/1088882245.db2.gz YJVHVVXKCMLZJB-MRXNPFEDSA-N -1 3 373.390 4.435 20 0 FIADHM CN(Cc1ccc(C(=O)[O-])cc1Br)C[C@@H]1CCc2ccccc21 ZINC000659803722 1088886696 /nfs/dbraw/zinc/88/66/96/1088886696.db2.gz NSLASDOMVIJXAR-HNNXBMFYSA-N -1 3 374.278 4.309 20 0 FIADHM CN(Cc1c(Br)cccc1C(=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000659803477 1088889944 /nfs/dbraw/zinc/88/99/44/1088889944.db2.gz IROOVOHCPSIHBB-AWEZNQCLSA-N -1 3 374.278 4.309 20 0 FIADHM O=C([O-])c1cccc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000414634883 1088912982 /nfs/dbraw/zinc/91/29/82/1088912982.db2.gz DTQVPLKUORANTA-UHFFFAOYSA-N -1 3 351.324 4.062 20 0 FIADHM CC(C)(C)C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000514613691 1089270109 /nfs/dbraw/zinc/27/01/09/1089270109.db2.gz NBEOCYMITRPUHH-INIZCTEOSA-N -1 3 357.429 4.106 20 0 FIADHM O=C([O-])c1ccc(CN2CCC[C@]3(CC=CCC3)C2)c(Br)c1 ZINC000514867519 1089557092 /nfs/dbraw/zinc/55/70/92/1089557092.db2.gz XHVLBLARRNTCPX-GOSISDBHSA-N -1 3 364.283 4.470 20 0 FIADHM Cc1nc(C)c(CCC(=O)N(C(C)C)[C@H](c2ccccc2)C(C)C)c(=O)[n-]1 ZINC000893072419 1089796692 /nfs/dbraw/zinc/79/66/92/1089796692.db2.gz KSZQNDACXLLZOJ-NRFANRHFSA-N -1 3 369.509 4.366 20 0 FIADHM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc([O-])c(Br)c1 ZINC000054440233 1089865891 /nfs/dbraw/zinc/86/58/91/1089865891.db2.gz LNWOIQCETHAHGA-CQSZACIVSA-N -1 3 367.630 4.004 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1C ZINC000435728684 1089900682 /nfs/dbraw/zinc/90/06/82/1089900682.db2.gz PCFIGLUYVDAHPK-UHFFFAOYSA-N -1 3 373.478 4.043 20 0 FIADHM CC(C)N(Cc1cc(Br)ccc1F)Cc1ncccc1[O-] ZINC000515332055 1089970282 /nfs/dbraw/zinc/97/02/82/1089970282.db2.gz NAWBFWMXHUPYSI-UHFFFAOYSA-N -1 3 353.235 4.099 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1 ZINC000460824228 1089994942 /nfs/dbraw/zinc/99/49/42/1089994942.db2.gz VFMHKDAUXRATEL-UHFFFAOYSA-N -1 3 365.520 4.446 20 0 FIADHM CCCc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182728533 1090370145 /nfs/dbraw/zinc/37/01/45/1090370145.db2.gz LOHSMQJBQMKRKQ-CQSZACIVSA-N -1 3 362.495 4.192 20 0 FIADHM CCSCc1ccnc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000590446482 1090394559 /nfs/dbraw/zinc/39/45/59/1090394559.db2.gz VMRBHPYEMOZCGX-UHFFFAOYSA-N -1 3 356.369 4.311 20 0 FIADHM O=S(=O)([N-]C1CCC(C(F)F)CC1)c1c(Cl)cccc1Cl ZINC000416559027 1090444083 /nfs/dbraw/zinc/44/40/83/1090444083.db2.gz JIRFVXNXZHLRGH-UHFFFAOYSA-N -1 3 358.237 4.096 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(Cc3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000584637759 1090656684 /nfs/dbraw/zinc/65/66/84/1090656684.db2.gz BQDOKVPAGINWJV-UHFFFAOYSA-N -1 3 363.379 4.257 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc2ccncc2s1 ZINC001125899147 1090703967 /nfs/dbraw/zinc/70/39/67/1090703967.db2.gz WBCDJZQFUZSTNC-UHFFFAOYSA-N -1 3 370.434 4.130 20 0 FIADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000312440136 1090727636 /nfs/dbraw/zinc/72/76/36/1090727636.db2.gz IXUQPLYJSQTZIQ-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(C)cc3Br)no2)c1 ZINC000318954421 1090785364 /nfs/dbraw/zinc/78/53/64/1090785364.db2.gz JLXUAPYORLLVCU-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM COc1cccc(Cl)c1CNC[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000417543344 1090918981 /nfs/dbraw/zinc/91/89/81/1090918981.db2.gz FXIBAQJRWVMSPJ-ZDUSSCGKSA-N -1 3 368.260 4.035 20 0 FIADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1c(F)cccc1OC(F)(F)F ZINC000417540626 1090921779 /nfs/dbraw/zinc/92/17/79/1090921779.db2.gz XEBCRWUGWAQMAL-QWRGUYRKSA-N -1 3 351.340 4.093 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnc(C3CCC3)s2)cc1 ZINC000417573859 1090927118 /nfs/dbraw/zinc/92/71/18/1090927118.db2.gz HWRYJYSPMQYTAY-QGZVFWFLSA-N -1 3 360.479 4.115 20 0 FIADHM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000584832224 1090931015 /nfs/dbraw/zinc/93/10/15/1090931015.db2.gz SESKANBYQNWGCQ-UHFFFAOYSA-N -1 3 364.402 4.070 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000417613785 1090943006 /nfs/dbraw/zinc/94/30/06/1090943006.db2.gz QSVPTWYSHJBQPQ-ZJUUUORDSA-N -1 3 358.385 4.028 20 0 FIADHM CCC[C@H](CCCCNCc1ccc(F)cc1Br)C(=O)[O-] ZINC000417635911 1090946909 /nfs/dbraw/zinc/94/69/09/1090946909.db2.gz GBXFXHBTGAOJSN-GFCCVEGCSA-N -1 3 360.267 4.349 20 0 FIADHM Cc1cc(F)c(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c(F)c1 ZINC001125924814 1091035131 /nfs/dbraw/zinc/03/51/31/1091035131.db2.gz WLVSPZGTINUYDK-UHFFFAOYSA-N -1 3 363.364 4.107 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000500202790 1091103834 /nfs/dbraw/zinc/10/38/34/1091103834.db2.gz FHMCNPCCXFVHQD-UHFFFAOYSA-N -1 3 357.303 4.423 20 0 FIADHM Cc1nc([C@H](C)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000582122054 1091269584 /nfs/dbraw/zinc/26/95/84/1091269584.db2.gz XJNXASAGQSSVQB-PVXIVEMSSA-N -1 3 362.857 4.407 20 0 FIADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC001125965281 1091728578 /nfs/dbraw/zinc/72/85/78/1091728578.db2.gz ACXKSYRUKUIOOG-OAHLLOKOSA-N -1 3 369.770 4.383 20 0 FIADHM CCSc1cccc(F)c1[N-]C(=O)c1nn(C2CCOCC2)cc1C ZINC000637284989 1091784809 /nfs/dbraw/zinc/78/48/09/1091784809.db2.gz MLQFBNGTFFXUNL-UHFFFAOYSA-N -1 3 363.458 4.046 20 0 FIADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2o1 ZINC000147113131 1091908088 /nfs/dbraw/zinc/90/80/88/1091908088.db2.gz VVWRFYGTNOGMOM-OAHLLOKOSA-N -1 3 362.385 4.101 20 0 FIADHM Cc1c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)sc2nccc(C)c12 ZINC000512320790 1092036628 /nfs/dbraw/zinc/03/66/28/1092036628.db2.gz GMGVDLWOUMPWJJ-UHFFFAOYSA-N -1 3 362.458 4.286 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(Oc3ccccc3)nc2)[nH][n-]1 ZINC000512341720 1092082531 /nfs/dbraw/zinc/08/25/31/1092082531.db2.gz HIMQFSIMOZOCGD-UHFFFAOYSA-N -1 3 370.412 4.247 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)[nH][n-]1 ZINC000512342971 1092086908 /nfs/dbraw/zinc/08/69/08/1092086908.db2.gz NKGHCIPELKPKFO-CHWSQXEVSA-N -1 3 351.372 4.114 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c(C)o1 ZINC000500477205 1092112432 /nfs/dbraw/zinc/11/24/32/1092112432.db2.gz RNIBHFZZLSRMTR-UHFFFAOYSA-N -1 3 364.648 4.113 20 0 FIADHM O=c1ccnc(C(=Cc2cn3cc(Cl)ccc3n2)Cc2ccccc2)[n-]1 ZINC000432705569 1092161973 /nfs/dbraw/zinc/16/19/73/1092161973.db2.gz IZIBTLUMVZUMJL-RVDMUPIBSA-N -1 3 362.820 4.267 20 0 FIADHM O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc2n[n-]nc21 ZINC000189703635 1092250092 /nfs/dbraw/zinc/25/00/92/1092250092.db2.gz KVFKCDUAXHFWQS-UHFFFAOYSA-N -1 3 371.425 4.487 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1C(C)C ZINC000432762208 1092283127 /nfs/dbraw/zinc/28/31/27/1092283127.db2.gz DETUPWNMWTYUPV-UHFFFAOYSA-N -1 3 363.479 4.250 20 0 FIADHM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093995 1092289604 /nfs/dbraw/zinc/28/96/04/1092289604.db2.gz HUWPVEAPOSJLKF-BBRMVZONSA-N -1 3 354.431 4.032 20 0 FIADHM CCC[C@](C)(O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093094231 1092293993 /nfs/dbraw/zinc/29/39/93/1092293993.db2.gz OIFOTIHXFZNQRL-IBGZPJMESA-N -1 3 356.447 4.159 20 0 FIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1 ZINC000432770315 1092309487 /nfs/dbraw/zinc/30/94/87/1092309487.db2.gz VWXPKURDZXGCDS-UHFFFAOYSA-N -1 3 372.412 4.048 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1 ZINC000500729140 1092451876 /nfs/dbraw/zinc/45/18/76/1092451876.db2.gz YCEQRRCLUPKHHO-UHFFFAOYSA-N -1 3 353.340 4.125 20 0 FIADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cc(Cl)ccc1Cl ZINC000521107939 1092505058 /nfs/dbraw/zinc/50/50/58/1092505058.db2.gz NKKSFTNCXAYQAQ-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM CN(Cc1c(F)ccc([O-])c1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000512479761 1092522467 /nfs/dbraw/zinc/52/24/67/1092522467.db2.gz ITDHIPQMTWRZTB-KSSFIOAISA-N -1 3 351.368 4.162 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Br)cc1)c1ccc(Cl)c(F)c1 ZINC000426727950 1092641458 /nfs/dbraw/zinc/64/14/58/1092641458.db2.gz ROJOWDVBEGORFS-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(F)c(Cl)c3)nc2)n1 ZINC000432872740 1092660825 /nfs/dbraw/zinc/66/08/25/1092660825.db2.gz OCCYEUCWYKWLGH-UHFFFAOYSA-N -1 3 372.831 4.236 20 0 FIADHM CCn1c2ccccc2nc1[C@@H]1CCCN1CCc1ccccc1C(=O)[O-] ZINC000521633459 1092805215 /nfs/dbraw/zinc/80/52/15/1092805215.db2.gz BSROPNXGPLTOIM-FQEVSTJZSA-N -1 3 363.461 4.134 20 0 FIADHM CCCO[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000521633814 1092807569 /nfs/dbraw/zinc/80/75/69/1092807569.db2.gz KTRXNSHCRYMBES-CZUORRHYSA-N -1 3 360.281 4.400 20 0 FIADHM CCCc1nc(C)c(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)s1 ZINC000512550984 1092909230 /nfs/dbraw/zinc/90/92/30/1092909230.db2.gz PSMCGKVQGBOBNV-UHFFFAOYSA-N -1 3 354.479 4.085 20 0 FIADHM Cc1c(Cc2ccc3c(c2)OCO3)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000614110470 1092944849 /nfs/dbraw/zinc/94/48/49/1092944849.db2.gz MNYLEUCVAUGYKC-UHFFFAOYSA-N -1 3 366.398 4.285 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)cc1[O-] ZINC000665309824 1092998964 /nfs/dbraw/zinc/99/89/64/1092998964.db2.gz ZATXCMQIGRLFNB-CYBMUJFWSA-N -1 3 365.433 4.016 20 0 FIADHM CCOc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000443405782 1093107288 /nfs/dbraw/zinc/10/72/88/1093107288.db2.gz CFWDDMJROPAXAX-UHFFFAOYSA-N -1 3 361.394 4.285 20 0 FIADHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000522141655 1093120297 /nfs/dbraw/zinc/12/02/97/1093120297.db2.gz FQNAAHPNXBDUPK-UHFFFAOYSA-N -1 3 364.239 4.123 20 0 FIADHM [O-]c1cccc(CNCc2cccc(OCc3ccccn3)c2)c1Cl ZINC000645146331 1093235728 /nfs/dbraw/zinc/23/57/28/1093235728.db2.gz VITBCRFLQLVFRA-UHFFFAOYSA-N -1 3 354.837 4.309 20 0 FIADHM CCOCCOc1c(Cl)cccc1NC(=O)c1cc([O-])ccc1Cl ZINC000433102468 1093246469 /nfs/dbraw/zinc/24/64/69/1093246469.db2.gz RBWQSCZRBXDNAJ-UHFFFAOYSA-N -1 3 370.232 4.367 20 0 FIADHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000512778195 1093326689 /nfs/dbraw/zinc/32/66/89/1093326689.db2.gz DDGJIDLKDVSJOF-JTQLQIEISA-N -1 3 362.253 4.215 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CCC[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000522370811 1093429055 /nfs/dbraw/zinc/42/90/55/1093429055.db2.gz LWBAYLHPIKLMSX-GDBMZVCRSA-N -1 3 368.481 4.496 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000433314931 1093570230 /nfs/dbraw/zinc/57/02/30/1093570230.db2.gz AIUAPHUZQXZZOI-IBGZPJMESA-N -1 3 352.821 4.093 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c1 ZINC000512940755 1093578451 /nfs/dbraw/zinc/57/84/51/1093578451.db2.gz QBFZOWDHWOTVLS-UHFFFAOYSA-N -1 3 358.507 4.076 20 0 FIADHM CSCc1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000433367473 1093626750 /nfs/dbraw/zinc/62/67/50/1093626750.db2.gz RBORJQCLJFSAGU-UHFFFAOYSA-N -1 3 356.422 4.091 20 0 FIADHM Cc1cccc2nc(C3CCN(Cc4c(F)ccc([O-])c4F)CC3)oc21 ZINC000512994396 1093644328 /nfs/dbraw/zinc/64/43/28/1093644328.db2.gz ZXAQECFABXKVBE-UHFFFAOYSA-N -1 3 358.388 4.500 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC3(c4ccccc4)CC3)cc2)cc(=O)[n-]1 ZINC000509874251 1093650953 /nfs/dbraw/zinc/65/09/53/1093650953.db2.gz ROBWVKAJQCSZKN-UHFFFAOYSA-N -1 3 374.444 4.011 20 0 FIADHM O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cc([O-])ccc1Cl ZINC000487441100 1093684811 /nfs/dbraw/zinc/68/48/11/1093684811.db2.gz FISHIXGRZXJTGJ-UHFFFAOYSA-N -1 3 367.836 4.436 20 0 FIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000052025481 1093706762 /nfs/dbraw/zinc/70/67/62/1093706762.db2.gz IHLHXQHYKQMRPC-UHFFFAOYSA-N -1 3 361.797 4.206 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1OCCc2sccc21 ZINC000582138342 1093791508 /nfs/dbraw/zinc/79/15/08/1093791508.db2.gz JAOAPUHBURGYEB-HXPMCKFVSA-N -1 3 353.443 4.039 20 0 FIADHM C[C@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(C(F)(F)F)cc1 ZINC000647802285 1094059921 /nfs/dbraw/zinc/05/99/21/1094059921.db2.gz KHRGGLRPFLNGCO-SNVBAGLBSA-N -1 3 363.339 4.420 20 0 FIADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(-c2ccc(F)cc2)s1 ZINC000647803678 1094074926 /nfs/dbraw/zinc/07/49/26/1094074926.db2.gz XYXSRBKHRYOVDA-UHFFFAOYSA-N -1 3 353.378 4.388 20 0 FIADHM CCc1nc2cc(CNC(=O)c3cc([O-])ccc3Cl)ccc2n1C1CC1 ZINC000513447532 1094135163 /nfs/dbraw/zinc/13/51/63/1094135163.db2.gz NQHJITXLVYXFRA-UHFFFAOYSA-N -1 3 369.852 4.223 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)o1 ZINC000501046137 1094452671 /nfs/dbraw/zinc/45/26/71/1094452671.db2.gz UMNZYRKHGWJWCW-UHFFFAOYSA-N -1 3 366.805 4.109 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c([O-])c1C ZINC000116452877 1094514949 /nfs/dbraw/zinc/51/49/49/1094514949.db2.gz XRRSIHLSYAQIBT-RUZDIDTESA-N -1 3 359.491 4.309 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1c(Cl)cccc1Cl ZINC000028317917 1094591744 /nfs/dbraw/zinc/59/17/44/1094591744.db2.gz UYNROKYRMRCPRX-UHFFFAOYSA-N -1 3 356.683 4.187 20 0 FIADHM COc1ccc(OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000041864307 1094685211 /nfs/dbraw/zinc/68/52/11/1094685211.db2.gz KIXJFYUZYKJWML-UHFFFAOYSA-N -1 3 364.426 4.239 20 0 FIADHM Cc1cc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c(C(F)(F)F)o1 ZINC000474849125 1094761373 /nfs/dbraw/zinc/76/13/73/1094761373.db2.gz AVKWIIYNRURQSW-UHFFFAOYSA-N -1 3 363.339 4.288 20 0 FIADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000474872123 1094806428 /nfs/dbraw/zinc/80/64/28/1094806428.db2.gz IMXZWKFJNYBWRN-UONOGXRCSA-N -1 3 368.864 4.446 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c(C)c1 ZINC000501831176 1094949472 /nfs/dbraw/zinc/94/94/72/1094949472.db2.gz UKQZVLWIABJSBW-UHFFFAOYSA-N -1 3 362.476 4.113 20 0 FIADHM CCCCOc1ccc(C(=O)NCc2ccc3cccnc3c2)c([O-])c1 ZINC001648968713 1094980317 /nfs/dbraw/zinc/98/03/17/1094980317.db2.gz RINPRUIKLDMQTK-UHFFFAOYSA-N -1 3 350.418 4.049 20 0 FIADHM CC[C@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000329618334 1095007431 /nfs/dbraw/zinc/00/74/31/1095007431.db2.gz DWXLYQBSUVFFAE-HNNXBMFYSA-N -1 3 354.454 4.202 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](C(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000329718456 1095202249 /nfs/dbraw/zinc/20/22/49/1095202249.db2.gz YVGVUOVDZZUSEC-MRXNPFEDSA-N -1 3 368.481 4.448 20 0 FIADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000421144935 1095385589 /nfs/dbraw/zinc/38/55/89/1095385589.db2.gz CDCISQFVFMMBJI-JTQLQIEISA-N -1 3 355.834 4.080 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000502523150 1095537023 /nfs/dbraw/zinc/53/70/23/1095537023.db2.gz WUZSVLHBFBRXMN-UHFFFAOYSA-N -1 3 365.723 4.286 20 0 FIADHM [O-]c1cccc(CN[C@@H](c2nccs2)C(F)(F)F)c1Br ZINC000628373286 1095613474 /nfs/dbraw/zinc/61/34/74/1095613474.db2.gz UOXLSWRHVQLFDJ-JTQLQIEISA-N -1 3 367.190 4.004 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(OC2CCCCC2)cc1 ZINC000522750651 1095638309 /nfs/dbraw/zinc/63/83/09/1095638309.db2.gz RLHCQZFYRQKCIB-UHFFFAOYSA-N -1 3 352.394 4.029 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000502646263 1095668050 /nfs/dbraw/zinc/66/80/50/1095668050.db2.gz GOHQRTFLZSZGOT-WDEREUQCSA-N -1 3 363.204 4.114 20 0 FIADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(Cl)c2ccccc2n1 ZINC001269193394 1096018226 /nfs/dbraw/zinc/01/82/26/1096018226.db2.gz XIGYGBVNBYVHFD-UHFFFAOYSA-N -1 3 353.712 4.038 20 0 FIADHM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000504150418 1096688318 /nfs/dbraw/zinc/68/83/18/1096688318.db2.gz IORWWKRFBZLTBU-APPDUMDISA-N -1 3 366.244 4.301 20 0 FIADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1 ZINC000436152074 1098789539 /nfs/dbraw/zinc/78/95/39/1098789539.db2.gz GBTDZZFCQINLRM-UHFFFAOYSA-N -1 3 355.406 4.386 20 0 FIADHM Cc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001211983389 1098814427 /nfs/dbraw/zinc/81/44/27/1098814427.db2.gz LBWJEQCXIYGSAR-UHFFFAOYSA-N -1 3 365.669 4.338 20 0 FIADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000515709538 1098852563 /nfs/dbraw/zinc/85/25/63/1098852563.db2.gz PRWPADBIMXLFAJ-JOYOIKCWSA-N -1 3 360.262 4.188 20 0 FIADHM C[C@@H](c1cccc2ccccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000533388758 1099017123 /nfs/dbraw/zinc/01/71/23/1099017123.db2.gz WKWNDABGOXAFMY-KRWDZBQOSA-N -1 3 360.457 4.064 20 0 FIADHM CCOc1ccccc1C1=CCN(C(=O)c2cc(CC)ccc2[O-])CC1 ZINC000436526944 1099083787 /nfs/dbraw/zinc/08/37/87/1099083787.db2.gz HCZCWKYGVNMPLV-UHFFFAOYSA-N -1 3 351.446 4.283 20 0 FIADHM Cc1cccc(OC(F)F)c1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436548214 1099095224 /nfs/dbraw/zinc/09/52/24/1099095224.db2.gz ZMYLOROYONNXMS-UHFFFAOYSA-N -1 3 363.360 4.268 20 0 FIADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(C)c1 ZINC000436548883 1099095704 /nfs/dbraw/zinc/09/57/04/1099095704.db2.gz CZLBDMAZDMKUBO-AWEZNQCLSA-N -1 3 354.450 4.098 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c([O-])c1 ZINC000436545714 1099110574 /nfs/dbraw/zinc/11/05/74/1099110574.db2.gz OEFDZJLGUBGUHR-AREMUKBSSA-N -1 3 365.454 4.261 20 0 FIADHM CCc1c(NC(=O)c2cc(OC)ccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000436596041 1099127220 /nfs/dbraw/zinc/12/72/20/1099127220.db2.gz OSXNLHQAXPGACD-UHFFFAOYSA-N -1 3 371.824 4.055 20 0 FIADHM O=C(N[C@@H]1CCOC2(CCC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436595516 1099127530 /nfs/dbraw/zinc/12/75/30/1099127530.db2.gz MSRYUKKLUPSVEN-OAHLLOKOSA-N -1 3 353.418 4.016 20 0 FIADHM COc1ccc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c([O-])c1 ZINC000436588432 1099135113 /nfs/dbraw/zinc/13/51/13/1099135113.db2.gz TUEKKXNGZUOLSZ-UHFFFAOYSA-N -1 3 357.425 4.167 20 0 FIADHM COc1cccc(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c1[O-] ZINC000436637201 1099165769 /nfs/dbraw/zinc/16/57/69/1099165769.db2.gz UHVVVPUDRKOJKH-UHFFFAOYSA-N -1 3 352.365 4.163 20 0 FIADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2c([O-])cccc2O)cc1 ZINC000436649437 1099171072 /nfs/dbraw/zinc/17/10/72/1099171072.db2.gz SIVJKDBEDFMOEO-AWEZNQCLSA-N -1 3 363.413 4.264 20 0 FIADHM O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1c([O-])cccc1O ZINC000436650377 1099172006 /nfs/dbraw/zinc/17/20/06/1099172006.db2.gz ZKBMWOFCVNVGCB-QGZVFWFLSA-N -1 3 372.424 4.141 20 0 FIADHM CC(=O)c1cccc(NC(=O)CCc2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000516100342 1099172940 /nfs/dbraw/zinc/17/29/40/1099172940.db2.gz IXCVOAWZDOIPOB-UHFFFAOYSA-N -1 3 367.323 4.065 20 0 FIADHM CCOc1cc(-c2nc3c(cccc3F)n2C)cc(Br)c1[O-] ZINC000436654132 1099179128 /nfs/dbraw/zinc/17/91/28/1099179128.db2.gz DVJXSBOKSDHTSO-UHFFFAOYSA-N -1 3 365.202 4.246 20 0 FIADHM COc1ccc(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)c([O-])c1 ZINC000436666301 1099197186 /nfs/dbraw/zinc/19/71/86/1099197186.db2.gz SGGUPCGQWDHLKJ-LBPRGKRZSA-N -1 3 368.458 4.324 20 0 FIADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436668828 1099199104 /nfs/dbraw/zinc/19/91/04/1099199104.db2.gz YKLSFEDZMWKUFB-UHFFFAOYSA-N -1 3 373.359 4.193 20 0 FIADHM CCc1nocc1CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436674875 1099205554 /nfs/dbraw/zinc/20/55/54/1099205554.db2.gz TZRWGOIHEUAZMP-UHFFFAOYSA-N -1 3 352.390 4.007 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000436683295 1099217811 /nfs/dbraw/zinc/21/78/11/1099217811.db2.gz TXHFIFBASYBJJA-IBGZPJMESA-N -1 3 359.853 4.383 20 0 FIADHM COc1cc(-c2nc(-c3ccccc3OCC(C)C)no2)cc(OC)c1[O-] ZINC000436685599 1099218899 /nfs/dbraw/zinc/21/88/99/1099218899.db2.gz BMENUHUSFKUCKQ-UHFFFAOYSA-N -1 3 370.405 4.161 20 0 FIADHM CC(C)[C@]1(CO)CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436732998 1099270287 /nfs/dbraw/zinc/27/02/87/1099270287.db2.gz VQWFTFMYTRRICK-JOCHJYFZSA-N -1 3 369.461 4.055 20 0 FIADHM CCCC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(OC)cc1 ZINC000436771554 1099293285 /nfs/dbraw/zinc/29/32/85/1099293285.db2.gz WUZXHYIEKYAIEN-QGZVFWFLSA-N -1 3 373.449 4.079 20 0 FIADHM CC[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000436787912 1099319194 /nfs/dbraw/zinc/31/91/94/1099319194.db2.gz RMNSOVWUNHIFLL-APWZRJJASA-N -1 3 366.461 4.007 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1[O-] ZINC000436792052 1099323592 /nfs/dbraw/zinc/32/35/92/1099323592.db2.gz LVRLPMUCWUQQKZ-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM CCOC1(C)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436795677 1099327704 /nfs/dbraw/zinc/32/77/04/1099327704.db2.gz ZIEVWMOTVZJZKJ-UHFFFAOYSA-N -1 3 367.489 4.209 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1[O-] ZINC000436812892 1099336977 /nfs/dbraw/zinc/33/69/77/1099336977.db2.gz OGMXGDYJMNGIGH-UHFFFAOYSA-N -1 3 366.461 4.133 20 0 FIADHM CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)no1 ZINC000436812810 1099338141 /nfs/dbraw/zinc/33/81/41/1099338141.db2.gz NGDGRFZANBMEIJ-UHFFFAOYSA-N -1 3 369.396 4.422 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000436828348 1099341312 /nfs/dbraw/zinc/34/13/12/1099341312.db2.gz XZJPUQANJQICLO-UHFFFAOYSA-N -1 3 365.351 4.169 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000436827249 1099352534 /nfs/dbraw/zinc/35/25/34/1099352534.db2.gz SSAXVYMWDBKBIW-CQSZACIVSA-N -1 3 367.470 4.407 20 0 FIADHM CCc1ccc(-c2nc(Cc3coc(-c4cccs4)n3)no2)c([O-])c1 ZINC000436838866 1099359312 /nfs/dbraw/zinc/35/93/12/1099359312.db2.gz MJTXQTSSOAAQLN-UHFFFAOYSA-N -1 3 353.403 4.312 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436843157 1099361784 /nfs/dbraw/zinc/36/17/84/1099361784.db2.gz GUTWKVFCTQWKFL-ZDUSSCGKSA-N -1 3 365.351 4.136 20 0 FIADHM CCc1ccc(-c2nc(-c3cccnc3OC3CCCC3)no2)c([O-])c1 ZINC000436847154 1099365549 /nfs/dbraw/zinc/36/55/49/1099365549.db2.gz ZMEMDBNPDXSVMX-UHFFFAOYSA-N -1 3 351.406 4.388 20 0 FIADHM CCc1ccc(-c2nc(-c3cc(Cl)ccc3OCCOC)no2)c([O-])c1 ZINC000436852773 1099368687 /nfs/dbraw/zinc/36/86/87/1099368687.db2.gz AYCFCWUMEDHBLX-UHFFFAOYSA-N -1 3 374.824 4.350 20 0 FIADHM [O-]c1ccc(Nc2ccc(OCC3CCOCC3)c(F)c2)c(F)c1F ZINC001212016189 1099383190 /nfs/dbraw/zinc/38/31/90/1099383190.db2.gz CJWRGFXQGGNZGL-UHFFFAOYSA-N -1 3 353.340 4.359 20 0 FIADHM Cc1ccccc1[C@@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053279511 1099393946 /nfs/dbraw/zinc/39/39/46/1099393946.db2.gz JRJZEYGKCKCQNN-KRWDZBQOSA-N -1 3 359.429 4.315 20 0 FIADHM CCc1ccc(-c2nc([C@@H](NC(=O)c3ccccc3)C(C)C)no2)c([O-])c1 ZINC000436885785 1099401997 /nfs/dbraw/zinc/40/19/97/1099401997.db2.gz PFLQKIXKNWIBAS-SFHVURJKSA-N -1 3 365.433 4.132 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccccc3Cn3cccn3)no2)c([O-])c1 ZINC000436889047 1099405792 /nfs/dbraw/zinc/40/57/92/1099405792.db2.gz AHFMUKNGNVVJEG-UHFFFAOYSA-N -1 3 360.417 4.477 20 0 FIADHM Cc1cccnc1-c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436896191 1099421902 /nfs/dbraw/zinc/42/19/02/1099421902.db2.gz XMRQENSYUWXNQE-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)c1 ZINC000436896883 1099422805 /nfs/dbraw/zinc/42/28/05/1099422805.db2.gz OZXSGHPHBJQQBO-UHFFFAOYSA-N -1 3 373.821 4.305 20 0 FIADHM O=C1CCc2cc(-c3noc(-c4cc5ccccc5cc4[O-])n3)ccc2N1 ZINC000436937996 1099451655 /nfs/dbraw/zinc/45/16/55/1099451655.db2.gz RXCGNYYVEUSZAM-UHFFFAOYSA-N -1 3 357.369 4.147 20 0 FIADHM COc1cccc(OC)c1OCc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436942023 1099452356 /nfs/dbraw/zinc/45/23/56/1099452356.db2.gz ABANYQQYYIOSAD-UHFFFAOYSA-N -1 3 370.405 4.162 20 0 FIADHM COc1cc(-c2nc3cc(SC)ccc3[nH]2)cc(Br)c1[O-] ZINC000436979910 1099486964 /nfs/dbraw/zinc/48/69/64/1099486964.db2.gz KSOJCFAXIPJNLJ-UHFFFAOYSA-N -1 3 365.252 4.429 20 0 FIADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1ccco1 ZINC000437204786 1099703164 /nfs/dbraw/zinc/70/31/64/1099703164.db2.gz ZOAZWWBCDIUBHF-GOSISDBHSA-N -1 3 373.474 4.125 20 0 FIADHM Cc1nc([C@H](C)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000263139354 1099766363 /nfs/dbraw/zinc/76/63/63/1099766363.db2.gz DLZNLOXNFKUJSK-OSAQELSMSA-N -1 3 362.857 4.407 20 0 FIADHM O=C([O-])c1ccc(CN2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000263408445 1099788106 /nfs/dbraw/zinc/78/81/06/1099788106.db2.gz KPUJEQJDQMJLIT-MRXNPFEDSA-N -1 3 360.251 4.137 20 0 FIADHM O=C(Nc1ccccc1-c1c(F)cccc1F)c1cc(F)cc2n[n-]nc21 ZINC000506024007 1099788731 /nfs/dbraw/zinc/78/87/31/1099788731.db2.gz FNDVFLYETFGIJH-UHFFFAOYSA-N -1 3 368.318 4.295 20 0 FIADHM Cc1nc(C2CCCC2)sc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000079692206 1099790095 /nfs/dbraw/zinc/79/00/95/1099790095.db2.gz BBRKZZWTIFOGQJ-UHFFFAOYSA-N -1 3 362.402 4.232 20 0 FIADHM O=C([O-])c1cccc(CN2CCC(c3nc(C(F)(F)F)cs3)CC2)c1 ZINC000263436539 1099790669 /nfs/dbraw/zinc/79/06/69/1099790669.db2.gz USZQWZFNZHCGKQ-UHFFFAOYSA-N -1 3 370.396 4.240 20 0 FIADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1C(=O)N(C)C(C)C ZINC000290545222 1100086113 /nfs/dbraw/zinc/08/61/13/1100086113.db2.gz WHHWGVKUQNJKPA-UHFFFAOYSA-N -1 3 360.841 4.087 20 0 FIADHM CCOc1ccccc1[C@H](CC(C)C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459393027 1100119901 /nfs/dbraw/zinc/11/99/01/1100119901.db2.gz XMPPOSJRLAWEJP-SFHVURJKSA-N -1 3 355.482 4.335 20 0 FIADHM [O-]c1cccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c1Br ZINC000459467504 1100210541 /nfs/dbraw/zinc/21/05/41/1100210541.db2.gz QHVAOKLAHNZBOU-QAPCUYQASA-N -1 3 362.267 4.022 20 0 FIADHM CC1(C)CO[C@H](c2cccc(C(F)(F)F)c2)CN1Cc1ncccc1[O-] ZINC000517272665 1100238492 /nfs/dbraw/zinc/23/84/92/1100238492.db2.gz YROQZSIMVSDVEY-KRWDZBQOSA-N -1 3 366.383 4.158 20 0 FIADHM CC1(C)CO[C@@H](c2cccc(C(F)(F)F)c2)CN1Cc1ncccc1[O-] ZINC000517272666 1100238818 /nfs/dbraw/zinc/23/88/18/1100238818.db2.gz YROQZSIMVSDVEY-QGZVFWFLSA-N -1 3 366.383 4.158 20 0 FIADHM Cc1ccnc([C@H]2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)c1 ZINC000517585216 1100513843 /nfs/dbraw/zinc/51/38/43/1100513843.db2.gz CQOVUOHRRQHMNK-FQEVSTJZSA-N -1 3 372.468 4.316 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1csc(-c2cccs2)n1 ZINC000517607339 1100522170 /nfs/dbraw/zinc/52/21/70/1100522170.db2.gz PLNKFEVVEZJKFM-UHFFFAOYSA-N -1 3 371.422 4.048 20 0 FIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccc(F)cc1Cl ZINC000023346119 1100591102 /nfs/dbraw/zinc/59/11/02/1100591102.db2.gz OZNVHRUWXQSIJD-MRVPVSSYSA-N -1 3 366.801 4.206 20 0 FIADHM CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000517971157 1100842282 /nfs/dbraw/zinc/84/22/82/1100842282.db2.gz QCBZYJJFIMPKBR-MRXNPFEDSA-N -1 3 374.506 4.479 20 0 FIADHM Cc1ccccc1[C@]1(F)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000506351760 1100908429 /nfs/dbraw/zinc/90/84/29/1100908429.db2.gz QEOUKLQKXKHPKE-NRFANRHFSA-N -1 3 359.416 4.260 20 0 FIADHM Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000827972763 1100947938 /nfs/dbraw/zinc/94/79/38/1100947938.db2.gz BCBFCSAMXFTUAJ-KRWDZBQOSA-N -1 3 374.412 4.044 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H]3SCCc4sccc43)[nH][n-]2)c1 ZINC000439161077 1101206746 /nfs/dbraw/zinc/20/67/46/1101206746.db2.gz WNAMMSPBNAVSGW-GOSISDBHSA-N -1 3 369.515 4.146 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000473599282 1101207122 /nfs/dbraw/zinc/20/71/22/1101207122.db2.gz MIOAZZMLCPKIGN-VHSXEESVSA-N -1 3 357.278 4.431 20 0 FIADHM COC(=O)c1cc(C(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)no1 ZINC000439288144 1101294242 /nfs/dbraw/zinc/29/42/42/1101294242.db2.gz ZOGWWZJPELFLGW-UHFFFAOYSA-N -1 3 372.764 4.159 20 0 FIADHM Cc1cc2occ(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)c2cc1C ZINC000648431803 1101323437 /nfs/dbraw/zinc/32/34/37/1101323437.db2.gz FGARZUBVKDHRHB-UHFFFAOYSA-N -1 3 371.746 4.136 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000648431352 1101327025 /nfs/dbraw/zinc/32/70/25/1101327025.db2.gz RNIWCFXCUYXQIG-QJPTWQEYSA-N -1 3 363.811 4.066 20 0 FIADHM Cc1cc2cc(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)oc2cc1C ZINC000648432905 1101329059 /nfs/dbraw/zinc/32/90/59/1101329059.db2.gz LULZOSOIUVFRLW-UHFFFAOYSA-N -1 3 371.746 4.136 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2c[nH]cc2-c2ccc(F)cc2)[nH][n-]1 ZINC000537120459 1101467096 /nfs/dbraw/zinc/46/70/96/1101467096.db2.gz OVMFYNLMEJQEDY-UHFFFAOYSA-N -1 3 360.392 4.194 20 0 FIADHM O=c1[n-]c(CN2CCC3(CCCCC3)CC2)nc2c3ccccc3oc21 ZINC000102410888 1101491731 /nfs/dbraw/zinc/49/17/31/1101491731.db2.gz VUOCYQNHOHAEDP-UHFFFAOYSA-N -1 3 351.450 4.216 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c(C)o1 ZINC000537347349 1101681031 /nfs/dbraw/zinc/68/10/31/1101681031.db2.gz JRFCQNNDORICEC-UHFFFAOYSA-N -1 3 364.648 4.113 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cncc(Br)c2)no1 ZINC000321218779 1101741559 /nfs/dbraw/zinc/74/15/59/1101741559.db2.gz YHXQWLDJWJYROT-UHFFFAOYSA-N -1 3 368.190 4.420 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000560425524 1101755843 /nfs/dbraw/zinc/75/58/43/1101755843.db2.gz CZNCWPDYLNFVIO-SFYZADRCSA-N -1 3 352.150 4.072 20 0 FIADHM C[C@@H](C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccc(F)cc1F ZINC001126468769 1101769703 /nfs/dbraw/zinc/76/97/03/1101769703.db2.gz FEENUKPLKYEQKM-VIFPVBQESA-N -1 3 361.285 4.255 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)c(F)c1 ZINC000537427868 1101779639 /nfs/dbraw/zinc/77/96/39/1101779639.db2.gz XAYSWTXUMFLCFJ-UHFFFAOYSA-N -1 3 369.421 4.416 20 0 FIADHM COCc1c2ccccc2oc1C(=O)[N-]c1c(F)cc(C(C)=O)cc1F ZINC000537448094 1101791467 /nfs/dbraw/zinc/79/14/67/1101791467.db2.gz GEZOOPAMTGRGNN-UHFFFAOYSA-N -1 3 359.328 4.312 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C3CC3)C3CCCC3)cc2)cc(=O)[n-]1 ZINC000518976745 1101792254 /nfs/dbraw/zinc/79/22/54/1101792254.db2.gz MBZUXGBHOQYLID-UHFFFAOYSA-N -1 3 352.438 4.097 20 0 FIADHM Cc1nn(-c2ccc(C)cc2)cc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000653503489 1101853254 /nfs/dbraw/zinc/85/32/54/1101853254.db2.gz IUDNDUWEHWJNDF-IIBYNOLFSA-N -1 3 363.461 4.041 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(-c2cccc(Cl)c2)on1 ZINC000519067050 1101904582 /nfs/dbraw/zinc/90/45/82/1101904582.db2.gz AJASXMZWYWQZKE-UHFFFAOYSA-N -1 3 364.792 4.059 20 0 FIADHM Cc1nc(-c2ccccc2)sc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000519067124 1101905674 /nfs/dbraw/zinc/90/56/74/1101905674.db2.gz IESXMQIIGKBGKU-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)c1 ZINC000439952900 1101927445 /nfs/dbraw/zinc/92/74/45/1101927445.db2.gz VPOALMLPYDTWNY-SFHVURJKSA-N -1 3 353.462 4.058 20 0 FIADHM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000475829754 1102107621 /nfs/dbraw/zinc/10/76/21/1102107621.db2.gz MVCFUQGKYNBAFV-UHFFFAOYSA-N -1 3 356.422 4.305 20 0 FIADHM CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3nnc(C(C)C)s3)o2)cc1 ZINC000025323628 1102141028 /nfs/dbraw/zinc/14/10/28/1102141028.db2.gz LSWVGNPMTVWFMI-UHFFFAOYSA-N -1 3 355.419 4.376 20 0 FIADHM Cc1ccccc1-c1cnc([N-]C(=O)c2cc(-c3ccccn3)no2)s1 ZINC001126705370 1102255463 /nfs/dbraw/zinc/25/54/63/1102255463.db2.gz LKWABAUPQSJGKR-UHFFFAOYSA-N -1 3 362.414 4.421 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000104484366 1102334012 /nfs/dbraw/zinc/33/40/12/1102334012.db2.gz QMJIGLZVINPCSY-UHFFFAOYSA-N -1 3 354.884 4.253 20 0 FIADHM C[C@@H](CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC(=O)[O-] ZINC000426657643 1102392902 /nfs/dbraw/zinc/39/29/02/1102392902.db2.gz QMFRQMATJPXSTM-NSHDSACASA-N -1 3 372.412 4.419 20 0 FIADHM O=C(NCCCc1cccc(C(F)(F)F)c1)c1cc([O-])ccc1Cl ZINC000550077556 1102395523 /nfs/dbraw/zinc/39/55/23/1102395523.db2.gz REEHDGUVMAYKJQ-UHFFFAOYSA-N -1 3 357.759 4.427 20 0 FIADHM CCCCN(C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000302913837 1102423023 /nfs/dbraw/zinc/42/30/23/1102423023.db2.gz UQMFLDWJUMHEKO-UHFFFAOYSA-N -1 3 357.479 4.304 20 0 FIADHM Cc1ccsc1-c1nnc(SCc2noc(-c3ccccc3[O-])n2)o1 ZINC000106589227 1102473392 /nfs/dbraw/zinc/47/33/92/1102473392.db2.gz XKKXRLCKRORDPG-UHFFFAOYSA-N -1 3 372.431 4.154 20 0 FIADHM CC(C)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c([O-])c1 ZINC000111210689 1102477934 /nfs/dbraw/zinc/47/79/34/1102477934.db2.gz BSWPAUXCUGWCDS-UHFFFAOYSA-N -1 3 371.452 4.133 20 0 FIADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc(Cl)nc1Cl ZINC000109109017 1102489745 /nfs/dbraw/zinc/48/97/45/1102489745.db2.gz WNCICGGDRFVWKV-UHFFFAOYSA-N -1 3 357.247 4.221 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)c1 ZINC000122739150 1102618967 /nfs/dbraw/zinc/61/89/67/1102618967.db2.gz MGLMYUDRDZFGMZ-OAHLLOKOSA-N -1 3 366.461 4.354 20 0 FIADHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000608030784 1102632127 /nfs/dbraw/zinc/63/21/27/1102632127.db2.gz GQJKBYGKMNQBLQ-ZBFHGGJFSA-N -1 3 356.274 4.002 20 0 FIADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1c(F)cccc1F ZINC000536532873 1102672681 /nfs/dbraw/zinc/67/26/81/1102672681.db2.gz SJFHVPZSCVCTHT-QMMMGPOBSA-N -1 3 356.166 4.175 20 0 FIADHM O=c1cc(CN(Cc2cccs2)Cc2cccs2)nc(C2CC2)[n-]1 ZINC000459276725 1102712278 /nfs/dbraw/zinc/71/22/78/1102712278.db2.gz GKMYOIMPDIIQRC-UHFFFAOYSA-N -1 3 357.504 4.385 20 0 FIADHM O=C(NCc1nc2cc(Cl)ccc2s1)c1cc([O-])ccc1Cl ZINC000519571640 1102795323 /nfs/dbraw/zinc/79/53/23/1102795323.db2.gz NIKIRXFOZWJWQT-UHFFFAOYSA-N -1 3 353.230 4.239 20 0 FIADHM CCOc1cc(CN2CCO[C@@H](c3ccccc3F)C2)cc(Cl)c1[O-] ZINC000459335826 1102846429 /nfs/dbraw/zinc/84/64/29/1102846429.db2.gz IUWRPWRATRZTDK-GOSISDBHSA-N -1 3 365.832 4.157 20 0 FIADHM Cc1nc2c(s1)[C@@H](N(C)Cc1cccc([O-])c1Br)CCC2 ZINC000459336967 1102848323 /nfs/dbraw/zinc/84/83/23/1102848323.db2.gz ALAFWLZRVBGDNV-ZDUSSCGKSA-N -1 3 367.312 4.429 20 0 FIADHM CSc1nsc([N-]C(=O)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000123187674 1102848847 /nfs/dbraw/zinc/84/88/47/1102848847.db2.gz WLSCKKQXKQTOGU-UHFFFAOYSA-N -1 3 366.468 4.083 20 0 FIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)sc1Br ZINC000426673406 1102879096 /nfs/dbraw/zinc/87/90/96/1102879096.db2.gz XIAXZCBYVQHILM-NSHDSACASA-N -1 3 360.298 4.186 20 0 FIADHM Cc1nc(C)c([C@H](C)N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000459361273 1102916413 /nfs/dbraw/zinc/91/64/13/1102916413.db2.gz ZNTVEIFIONQEBU-ZDUSSCGKSA-N -1 3 354.479 4.116 20 0 FIADHM O=C([O-])[C@@H](CNCc1c(F)cccc1Cl)Cc1ccc(Cl)cc1 ZINC000426705041 1102933149 /nfs/dbraw/zinc/93/31/49/1102933149.db2.gz UOXPNGCVKDTIDX-GFCCVEGCSA-N -1 3 356.224 4.166 20 0 FIADHM Cc1cccc([C@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])c1C ZINC000426719084 1102938631 /nfs/dbraw/zinc/93/86/31/1102938631.db2.gz DJXHQQFZWIADME-INIZCTEOSA-N -1 3 366.230 4.121 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc2ccccc2c1)c1cnn(-c2ccccc2)c1 ZINC000426719327 1102940082 /nfs/dbraw/zinc/94/00/82/1102940082.db2.gz FUSBVLJNXHDKAI-QFIPXVFZSA-N -1 3 371.440 4.331 20 0 FIADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000476933863 1102949747 /nfs/dbraw/zinc/94/97/47/1102949747.db2.gz OOVYWAUWGAJELC-CYBMUJFWSA-N -1 3 372.273 4.022 20 0 FIADHM Cc1cccc([C@H](NCc2ccc(OC(F)F)c(Cl)c2)C(=O)[O-])c1C ZINC000426733267 1102952722 /nfs/dbraw/zinc/95/27/22/1102952722.db2.gz MBUMLNSIPPNMLT-INIZCTEOSA-N -1 3 369.795 4.474 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(OC(F)(F)F)c1)c1cccc(Cl)c1 ZINC000426743478 1102960012 /nfs/dbraw/zinc/96/00/12/1102960012.db2.gz NUQWSCIPSURUSX-CQSZACIVSA-N -1 3 359.731 4.154 20 0 FIADHM CCOc1cc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)ccc1OC ZINC000614838851 1102960217 /nfs/dbraw/zinc/96/02/17/1102960217.db2.gz QEIKRPMYSCVZDW-CQSZACIVSA-N -1 3 363.479 4.408 20 0 FIADHM Cc1cc(C)cc([C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426743248 1102960394 /nfs/dbraw/zinc/96/03/94/1102960394.db2.gz NKXNWFKXCINCLC-MRXNPFEDSA-N -1 3 355.331 4.377 20 0 FIADHM COc1ccccc1-c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000426765747 1102968416 /nfs/dbraw/zinc/96/84/16/1102968416.db2.gz RTIYLKFLWZDBIR-NRFANRHFSA-N -1 3 365.404 4.417 20 0 FIADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000426754534 1102970364 /nfs/dbraw/zinc/97/03/64/1102970364.db2.gz RBJWKTTVVLUWRB-INIZCTEOSA-N -1 3 354.233 4.308 20 0 FIADHM O=C([O-])[C@H](NCc1cc2c(cccc2F)[nH]1)c1ccc(Cl)c(F)c1 ZINC000426756315 1102972108 /nfs/dbraw/zinc/97/21/08/1102972108.db2.gz JFYPPWMFOAYSSF-MRXNPFEDSA-N -1 3 350.752 4.015 20 0 FIADHM Cc1ccc2cc(CN[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)ccc2n1 ZINC000426756482 1102972614 /nfs/dbraw/zinc/97/26/14/1102972614.db2.gz KIUPQCKAFALHLM-SFHVURJKSA-N -1 3 358.800 4.251 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000135592028 1102975623 /nfs/dbraw/zinc/97/56/23/1102975623.db2.gz KJLFEAVLFZPUSI-UHFFFAOYSA-N -1 3 366.420 4.398 20 0 FIADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1OCCC(C)C ZINC000426772462 1102978666 /nfs/dbraw/zinc/97/86/66/1102978666.db2.gz JYOCFCFNPXIDRD-FQEVSTJZSA-N -1 3 357.450 4.036 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(OCC2CCCCC2)c1)c1ccc(O)cc1 ZINC000426776637 1102981090 /nfs/dbraw/zinc/98/10/90/1102981090.db2.gz ZHYUAOKWGVNTAJ-OAQYLSRUSA-N -1 3 369.461 4.267 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(C)C)cc2)cc1OC ZINC000426781135 1102982164 /nfs/dbraw/zinc/98/21/64/1102982164.db2.gz YSEBFNWXFGQTDO-SFHVURJKSA-N -1 3 357.450 4.133 20 0 FIADHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OCC(C)C ZINC000426785111 1102984469 /nfs/dbraw/zinc/98/44/69/1102984469.db2.gz VQTSLJAOOLVWCB-GOSISDBHSA-N -1 3 363.479 4.097 20 0 FIADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1SC ZINC000426807034 1102988408 /nfs/dbraw/zinc/98/84/08/1102988408.db2.gz LWKNMIYBMZBBJL-HNNXBMFYSA-N -1 3 365.882 4.376 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(OCc2ccccc2F)c1)c1ccsc1 ZINC000426795890 1102995661 /nfs/dbraw/zinc/99/56/61/1102995661.db2.gz ZJYOTBCKZOKTNY-LJQANCHMSA-N -1 3 371.433 4.382 20 0 FIADHM CCc1ccc([C@H](NCc2cc(F)cc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426808949 1103003443 /nfs/dbraw/zinc/00/34/43/1103003443.db2.gz BNXDRQIXZFNLDJ-INIZCTEOSA-N -1 3 355.331 4.322 20 0 FIADHM CCc1ccc([C@H](NCc2ccc(F)c(Br)c2)C(=O)[O-])cc1 ZINC000426805984 1103003675 /nfs/dbraw/zinc/00/36/75/1103003675.db2.gz HPJLLKYAJFSGMT-INIZCTEOSA-N -1 3 366.230 4.066 20 0 FIADHM Cc1cc([C@H](NCc2cc(Br)cs2)C(=O)[O-])ccc1Cl ZINC000426810826 1103006961 /nfs/dbraw/zinc/00/69/61/1103006961.db2.gz QIUKEDKBMKTDKZ-ZDUSSCGKSA-N -1 3 374.687 4.388 20 0 FIADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1OC ZINC000426818761 1103012117 /nfs/dbraw/zinc/01/21/17/1103012117.db2.gz SQIPNJMMWAHIDL-SFHVURJKSA-N -1 3 357.450 4.133 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000426826330 1103024570 /nfs/dbraw/zinc/02/45/70/1103024570.db2.gz DRTORGDELJXHMJ-OAHLLOKOSA-N -1 3 368.658 4.408 20 0 FIADHM CCC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)(C)C ZINC000454299405 1103073567 /nfs/dbraw/zinc/07/35/67/1103073567.db2.gz XBMLZAYSRNASKO-KRWDZBQOSA-N -1 3 356.470 4.494 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2ccccc2n1CC(F)(F)F ZINC000426991863 1103147945 /nfs/dbraw/zinc/14/79/45/1103147945.db2.gz OZWKGJPXHFNGRJ-UHFFFAOYSA-N -1 3 352.287 4.301 20 0 FIADHM Cc1c(Cl)cccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000427039268 1103209803 /nfs/dbraw/zinc/20/98/03/1103209803.db2.gz WDRNJSJYGQJECD-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cccs1 ZINC000078295292 1103282452 /nfs/dbraw/zinc/28/24/52/1103282452.db2.gz AEYQBGRQMOOAIM-NSHDSACASA-N -1 3 354.460 4.436 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2csc(Cc3ccccc3)n2)n1 ZINC000477351919 1103389685 /nfs/dbraw/zinc/38/96/85/1103389685.db2.gz LNFYPFCZNSLKSA-UHFFFAOYSA-N -1 3 357.504 4.225 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2csc(-c3cccc(OC)c3)n2)n1 ZINC000477346628 1103406642 /nfs/dbraw/zinc/40/66/42/1103406642.db2.gz GIRNSAJPMAPWLI-UHFFFAOYSA-N -1 3 373.503 4.310 20 0 FIADHM O=c1ccnc(C(=Cc2csc(Br)c2)Cc2ccccc2)[n-]1 ZINC000427288423 1103413942 /nfs/dbraw/zinc/41/39/42/1103413942.db2.gz PFQBTTHYMDKHAA-NTEUORMPSA-N -1 3 373.275 4.377 20 0 FIADHM O=c1ccnc(C(=Cc2c[nH]c(-c3ccccc3)n2)Cc2ccccc2)[n-]1 ZINC000427290467 1103415606 /nfs/dbraw/zinc/41/56/06/1103415606.db2.gz VKPCLTUPYUWPRM-JXAWBTAJSA-N -1 3 354.413 4.356 20 0 FIADHM [O-]c1cccc(CN2CCC(Oc3ccc(F)cc3F)CC2)c1Cl ZINC000507612638 1103549909 /nfs/dbraw/zinc/54/99/09/1103549909.db2.gz GKSRCQMYHSXBOG-UHFFFAOYSA-N -1 3 353.796 4.367 20 0 FIADHM O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cc(F)cc2n[n-]nc21 ZINC000427489564 1103584546 /nfs/dbraw/zinc/58/45/46/1103584546.db2.gz CDZKHQRUBAUFKG-UHFFFAOYSA-N -1 3 373.800 4.126 20 0 FIADHM Cc1ccc2[nH]c3c(c2c1)CN(Cc1cc(=O)oc2c(C)c([O-])ccc12)CC3 ZINC000729480767 1103907977 /nfs/dbraw/zinc/90/79/77/1103907977.db2.gz QWWJVDAVVBJMRN-UHFFFAOYSA-N -1 3 374.440 4.155 20 0 FIADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ncccc1[O-] ZINC000519992661 1104001879 /nfs/dbraw/zinc/00/18/79/1104001879.db2.gz DISADRGAKFGBCY-UHFFFAOYSA-N -1 3 351.840 4.186 20 0 FIADHM O=C(CCCOCCc1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000441004198 1104068978 /nfs/dbraw/zinc/06/89/78/1104068978.db2.gz WYYLDCGRIYWXAD-UHFFFAOYSA-N -1 3 367.367 4.389 20 0 FIADHM CCC(C)(C)CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000330431429 1104629509 /nfs/dbraw/zinc/62/95/09/1104629509.db2.gz JCAGJZILTZAAPL-UHFFFAOYSA-N -1 3 366.889 4.049 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)c([O-])c1 ZINC000536337378 1104756406 /nfs/dbraw/zinc/75/64/06/1104756406.db2.gz YXDWJQQRTJJCJT-UHFFFAOYSA-N -1 3 366.417 4.012 20 0 FIADHM Cc1csc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1Br ZINC000190899070 1104955248 /nfs/dbraw/zinc/95/52/48/1104955248.db2.gz NRFVYZFVUATWPI-UHFFFAOYSA-N -1 3 360.302 4.220 20 0 FIADHM CC(C)c1cnc(CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000417551163 1104961999 /nfs/dbraw/zinc/96/19/99/1104961999.db2.gz YOYBBSWHRAALRU-ZDUSSCGKSA-N -1 3 352.887 4.268 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2cccs2)c1Cl ZINC000614601609 1105021152 /nfs/dbraw/zinc/02/11/52/1105021152.db2.gz OFFOFVCJZOGGSR-SNVBAGLBSA-N -1 3 364.319 4.273 20 0 FIADHM Cc1nc(Cc2ccccc2)sc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000520633072 1105066951 /nfs/dbraw/zinc/06/69/51/1105066951.db2.gz WYDOBXHFGLAFSJ-UHFFFAOYSA-N -1 3 374.469 4.107 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]nc1-c1ccc(Cl)s1 ZINC000427653799 1105229597 /nfs/dbraw/zinc/22/95/97/1105229597.db2.gz KFGOVHSFNLMVSE-UHFFFAOYSA-N -1 3 354.218 4.403 20 0 FIADHM CN(CCCc1cc(-c2ccccc2)no1)Cc1c(F)ccc([O-])c1F ZINC000507894962 1105259778 /nfs/dbraw/zinc/25/97/78/1105259778.db2.gz QZUVGYDLQWZSGW-UHFFFAOYSA-N -1 3 358.388 4.390 20 0 FIADHM CSc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1Cl ZINC000507987059 1105289157 /nfs/dbraw/zinc/28/91/57/1105289157.db2.gz RWTFVYHEXATHHG-UHFFFAOYSA-N -1 3 374.915 4.289 20 0 FIADHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccco1 ZINC000508024601 1105304877 /nfs/dbraw/zinc/30/48/77/1105304877.db2.gz PNLKFGIKCODHRR-LJQANCHMSA-N -1 3 373.474 4.125 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)c(C)c1 ZINC000450956438 1106843868 /nfs/dbraw/zinc/84/38/68/1106843868.db2.gz IDWRGJNZLDVHMP-UHFFFAOYSA-N -1 3 360.479 4.007 20 0 FIADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530165383 1106872563 /nfs/dbraw/zinc/87/25/63/1106872563.db2.gz XVNVHKPPKNULQD-CYBMUJFWSA-N -1 3 373.453 4.034 20 0 FIADHM Cc1cc(Br)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1Cl ZINC000530166519 1106873036 /nfs/dbraw/zinc/87/30/36/1106873036.db2.gz PSBNRIGBVJQYSZ-NVBFEUDRSA-N -1 3 372.690 4.096 20 0 FIADHM Cc1cc(Br)c(CN(C)[C@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000530167385 1106875368 /nfs/dbraw/zinc/87/53/68/1106875368.db2.gz YWINCHXNTCGDHD-CQSZACIVSA-N -1 3 362.695 4.342 20 0 FIADHM CCOc1ccc(-c2nc(CN3[C@@H](C)CC(C(=O)[O-])C[C@@H]3C)cs2)cc1 ZINC000530175518 1106904956 /nfs/dbraw/zinc/90/49/56/1106904956.db2.gz QCLRVUZLBAEJQG-KBPBESRZSA-N -1 3 374.506 4.282 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)C2CCC(C(F)(F)F)CC2)[nH][n-]1 ZINC000444353832 1106906253 /nfs/dbraw/zinc/90/62/53/1106906253.db2.gz VHXGSFMUOUHWPP-UHFFFAOYSA-N -1 3 351.372 4.114 20 0 FIADHM CN(C)C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000530252570 1106931620 /nfs/dbraw/zinc/93/16/20/1106931620.db2.gz OOBASTIRQBEHCT-QGZVFWFLSA-N -1 3 367.276 4.084 20 0 FIADHM CC[C@H](CC(F)(F)F)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000451125376 1106938439 /nfs/dbraw/zinc/93/84/39/1106938439.db2.gz LOIWIRKUTJLWMR-SECBINFHSA-N -1 3 352.316 4.135 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCc4cc(F)ccc43)nc2)n1 ZINC000301191521 1106959321 /nfs/dbraw/zinc/95/93/21/1106959321.db2.gz ZOBHBCSXEIWBDS-KRWDZBQOSA-N -1 3 350.397 4.045 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000451395309 1107072843 /nfs/dbraw/zinc/07/28/43/1107072843.db2.gz VQCHYKUVCDSCNZ-CTYIDZIISA-N -1 3 367.342 4.155 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3c(F)cccc3Cl)nc2)n1 ZINC000301672324 1107106558 /nfs/dbraw/zinc/10/65/58/1107106558.db2.gz QZUKSQXZMAALKP-UHFFFAOYSA-N -1 3 372.831 4.254 20 0 FIADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])cc(C)c1OCc1cccnc1 ZINC000530658245 1107232408 /nfs/dbraw/zinc/23/24/08/1107232408.db2.gz WMUWYJKVSSFJAG-UHFFFAOYSA-N -1 3 366.392 4.374 20 0 FIADHM [O-]c1ccc(CNc2ccnc(Cc3ccccc3)n2)cc1Br ZINC000302180126 1107330140 /nfs/dbraw/zinc/33/01/40/1107330140.db2.gz DOXROXSPDRVSCK-UHFFFAOYSA-N -1 3 370.250 4.148 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(-c4ccccc4)on3)nc2)n1 ZINC000302690084 1107409592 /nfs/dbraw/zinc/40/95/92/1107409592.db2.gz UXHQYJUWBJQQBH-UHFFFAOYSA-N -1 3 373.416 4.074 20 0 FIADHM CCc1cccc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1[O-] ZINC000530955019 1107432664 /nfs/dbraw/zinc/43/26/64/1107432664.db2.gz NNPMIOLMQOUYNQ-UHFFFAOYSA-N -1 3 353.462 4.255 20 0 FIADHM CSCC[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000054280310 1107539833 /nfs/dbraw/zinc/53/98/33/1107539833.db2.gz LYWIQDQDBVYIGY-HIPSJFSSSA-N -1 3 360.870 4.002 20 0 FIADHM CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000531320778 1107764010 /nfs/dbraw/zinc/76/40/10/1107764010.db2.gz NVIIGHIWXIEUJE-UHFFFAOYSA-N -1 3 373.412 4.333 20 0 FIADHM CCc1nc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cs1 ZINC000523113565 1107840264 /nfs/dbraw/zinc/84/02/64/1107840264.db2.gz KFHYTCXIJUPCEI-UHFFFAOYSA-N -1 3 366.486 4.274 20 0 FIADHM CCC[C@H](C(=O)Nc1c([O-])ccc(Br)c1C)c1ccccn1 ZINC000452746920 1107930306 /nfs/dbraw/zinc/93/03/06/1107930306.db2.gz GVIFUVQSIGRMBG-LBPRGKRZSA-N -1 3 363.255 4.381 20 0 FIADHM CC[C@@H](C)n1ncc(C(=O)Nc2c([O-])ccc(Br)c2C)c1C ZINC000452755370 1107948401 /nfs/dbraw/zinc/94/84/01/1107948401.db2.gz NFSRWNLPXBIFJB-SECBINFHSA-N -1 3 366.259 4.191 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c(C)c1 ZINC000531565269 1107984025 /nfs/dbraw/zinc/98/40/25/1107984025.db2.gz INXBGEQIGHAXKG-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2ccc(Br)cn2)c1F ZINC000453610892 1108656472 /nfs/dbraw/zinc/65/64/72/1108656472.db2.gz JSGWOGQONDYJIQ-AWEZNQCLSA-N -1 3 369.209 4.165 20 0 FIADHM COC(=O)c1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000532366810 1108776223 /nfs/dbraw/zinc/77/62/23/1108776223.db2.gz PFYGTZFFZWITCN-UHFFFAOYSA-N -1 3 362.794 4.095 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1csc(Br)c1)c1ccccc1 ZINC000426755156 1108777327 /nfs/dbraw/zinc/77/73/27/1108777327.db2.gz XBKYBAHMLWUFSC-HZMBPMFUSA-N -1 3 354.269 4.062 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1csc(Br)c1)c1ccccc1 ZINC000426755158 1108778826 /nfs/dbraw/zinc/77/88/26/1108778826.db2.gz XBKYBAHMLWUFSC-QMTHXVAHSA-N -1 3 354.269 4.062 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000016122054 1108825706 /nfs/dbraw/zinc/82/57/06/1108825706.db2.gz YKKMXZJFXWQTJG-UHFFFAOYSA-N -1 3 360.479 4.034 20 0 FIADHM CC1(C)Cc2ccc(-c3nc(Cc4nccc5ccccc54)no3)c([O-])c2O1 ZINC000445522169 1108842626 /nfs/dbraw/zinc/84/26/26/1108842626.db2.gz YRFDCBVCIJORQP-UHFFFAOYSA-N -1 3 373.412 4.295 20 0 FIADHM CCN(C(=O)Cc1noc(-c2ccc(C(C)C)cc2[O-])n1)c1ccccc1 ZINC000445670993 1108949416 /nfs/dbraw/zinc/94/94/16/1108949416.db2.gz ZLYSLWKWXZOKHR-UHFFFAOYSA-N -1 3 365.433 4.161 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SCC)c2)cc1C ZINC000524326527 1108961548 /nfs/dbraw/zinc/96/15/48/1108961548.db2.gz OXZFXTGSQXDHQQ-UHFFFAOYSA-N -1 3 351.493 4.307 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000445928962 1109044853 /nfs/dbraw/zinc/04/48/53/1109044853.db2.gz CMANIGBDFHWMLM-CQSZACIVSA-N -1 3 370.277 4.009 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(CSC2CCCC2)c1 ZINC000445976066 1109061262 /nfs/dbraw/zinc/06/12/62/1109061262.db2.gz AJRFGIGMJAPTKX-CQSZACIVSA-N -1 3 372.412 4.240 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000446013955 1109081783 /nfs/dbraw/zinc/08/17/83/1109081783.db2.gz YQQZPJWYEPXMGL-UHFFFAOYSA-N -1 3 356.341 4.312 20 0 FIADHM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000446877998 1109376892 /nfs/dbraw/zinc/37/68/92/1109376892.db2.gz RCGUXYYBEZAUKQ-QFIPXVFZSA-N -1 3 372.399 4.187 20 0 FIADHM CCC(CC)c1cc(C(=O)Nc2ccc(Br)cc2[O-])on1 ZINC000525577759 1109431282 /nfs/dbraw/zinc/43/12/82/1109431282.db2.gz YWFIDMHKBYNUER-UHFFFAOYSA-N -1 3 353.216 4.299 20 0 FIADHM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1ccc2ncsc2c1 ZINC000447273986 1109501482 /nfs/dbraw/zinc/50/14/82/1109501482.db2.gz XYYNVSZSKXCMEX-UHFFFAOYSA-N -1 3 374.418 4.496 20 0 FIADHM COc1cc2c(cc1OC)CN(Cc1c(Cl)cc([O-])cc1Cl)CC2 ZINC001142115172 1109515160 /nfs/dbraw/zinc/51/51/60/1109515160.db2.gz ZZRDSXWPXPRLDH-UHFFFAOYSA-N -1 3 368.260 4.275 20 0 FIADHM Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(F)c1Cl ZINC000447578976 1109593534 /nfs/dbraw/zinc/59/35/34/1109593534.db2.gz LYUITLBMYYJUJI-UHFFFAOYSA-N -1 3 372.621 4.186 20 0 FIADHM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000447789336 1109645667 /nfs/dbraw/zinc/64/56/67/1109645667.db2.gz UPJPKMIXOLHIQG-UHFFFAOYSA-N -1 3 374.506 4.442 20 0 FIADHM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000447860825 1109662273 /nfs/dbraw/zinc/66/22/73/1109662273.db2.gz JXLUWZZMWJPJFM-FQEVSTJZSA-N -1 3 352.409 4.137 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H]3CCC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000527031522 1109672598 /nfs/dbraw/zinc/67/25/98/1109672598.db2.gz LJRAXTXSTFCJCK-MRXNPFEDSA-N -1 3 354.454 4.200 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCCCC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000527107017 1109693813 /nfs/dbraw/zinc/69/38/13/1109693813.db2.gz OWAAOYWNGNYEPH-UHFFFAOYSA-N -1 3 354.454 4.202 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCC(=O)C(C)(C)C)c2)n1 ZINC000448721953 1109871765 /nfs/dbraw/zinc/87/17/65/1109871765.db2.gz AANVVJZSLSEDJO-UHFFFAOYSA-N -1 3 369.465 4.136 20 0 FIADHM CC(C)(NC(=O)Cc1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000448888433 1109931336 /nfs/dbraw/zinc/93/13/36/1109931336.db2.gz SSRPMPZRSIOAEC-UHFFFAOYSA-N -1 3 355.331 4.144 20 0 FIADHM Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1NC(=O)C(C)(C)C ZINC000448957660 1109949460 /nfs/dbraw/zinc/94/94/60/1109949460.db2.gz WVTFWSKNLWKCKK-UHFFFAOYSA-N -1 3 358.413 4.006 20 0 FIADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([O-])cc(Br)c2)s1 ZINC000528458306 1109995566 /nfs/dbraw/zinc/99/55/66/1109995566.db2.gz MDBADWSBQCSXMT-SECBINFHSA-N -1 3 369.284 4.061 20 0 FIADHM [O-]c1ccc(F)c(CN[C@H]2CCc3c2ccc(F)c3Br)c1F ZINC000449549567 1110106447 /nfs/dbraw/zinc/10/64/47/1110106447.db2.gz ZECJBYDOGLLZDS-ZDUSSCGKSA-N -1 3 372.184 4.349 20 0 FIADHM COc1cccc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1F ZINC000552114969 1111582346 /nfs/dbraw/zinc/58/23/46/1111582346.db2.gz IEQYYFWETUFCJS-UHFFFAOYSA-N -1 3 357.303 4.130 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c1[O-] ZINC000552286605 1111650927 /nfs/dbraw/zinc/65/09/27/1111650927.db2.gz UJQJVTXUFYCSFH-UHFFFAOYSA-N -1 3 368.433 4.140 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc4c5c(cccc53)CC4)c[n-]c12 ZINC000552775792 1111808980 /nfs/dbraw/zinc/80/89/80/1111808980.db2.gz LIGIGUZUROTSNX-UHFFFAOYSA-N -1 3 372.399 4.480 20 0 FIADHM Cc1cccc(Oc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2)c1 ZINC000552877215 1111842424 /nfs/dbraw/zinc/84/24/24/1111842424.db2.gz VEGWULLIIWSQTD-UHFFFAOYSA-N -1 3 361.401 4.413 20 0 FIADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553316123 1111946985 /nfs/dbraw/zinc/94/69/85/1111946985.db2.gz HGBWZZHSWCGJAR-UHFFFAOYSA-N -1 3 368.849 4.094 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(C(F)(F)F)CC3)c2)n1 ZINC000553615672 1112024768 /nfs/dbraw/zinc/02/47/68/1112024768.db2.gz ZNMUYIVRRWTZSB-UHFFFAOYSA-N -1 3 365.355 4.083 20 0 FIADHM COc1cc(C(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)cc(OC)c1[O-] ZINC000479762846 1112134814 /nfs/dbraw/zinc/13/48/14/1112134814.db2.gz DZKWDHLJBQWOEI-HNNXBMFYSA-N -1 3 369.461 4.040 20 0 FIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480211698 1112333891 /nfs/dbraw/zinc/33/38/91/1112333891.db2.gz YLVYJCWWZIXXRF-UHFFFAOYSA-N -1 3 373.396 4.379 20 0 FIADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554416677 1112337924 /nfs/dbraw/zinc/33/79/24/1112337924.db2.gz GSFKHURPBJPHHZ-NSHDSACASA-N -1 3 363.248 4.288 20 0 FIADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480623817 1112514183 /nfs/dbraw/zinc/51/41/83/1112514183.db2.gz GVXGWAXKDBJAAR-RTBURBONSA-N -1 3 360.413 4.108 20 0 FIADHM CCc1cccc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000554902647 1112554343 /nfs/dbraw/zinc/55/43/43/1112554343.db2.gz ZVTNHRYXAYFLOB-HKUYNNGSSA-N -1 3 357.425 4.086 20 0 FIADHM CN(Cc1cccc(Br)c1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142647502 1113009123 /nfs/dbraw/zinc/00/91/23/1113009123.db2.gz ZBQLQBAVAHUFLZ-UHFFFAOYSA-N -1 3 368.658 4.433 20 0 FIADHM O=c1cc(C=Cc2ccc(F)c(Cl)c2Cl)nc(-c2ccncc2)[n-]1 ZINC000486055289 1113496829 /nfs/dbraw/zinc/49/68/29/1113496829.db2.gz YUHMLLMAAFHUFT-IWQZZHSRSA-N -1 3 362.191 4.448 20 0 FIADHM O=c1cc(C=Cc2ccc(-c3ccccc3F)o2)nc(-c2ccncc2)[n-]1 ZINC000486053916 1113496852 /nfs/dbraw/zinc/49/68/52/1113496852.db2.gz UIYKNPLRFNSQSL-WAYWQWQTSA-N -1 3 359.360 4.401 20 0 FIADHM O=c1cc(C=Cc2ccc(F)c(Cl)c2Cl)nc(-c2ccncc2)[n-]1 ZINC000486055288 1113496909 /nfs/dbraw/zinc/49/69/09/1113496909.db2.gz YUHMLLMAAFHUFT-HNQUOIGGSA-N -1 3 362.191 4.448 20 0 FIADHM CC(C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000486099322 1113505327 /nfs/dbraw/zinc/50/53/27/1113505327.db2.gz WUBOGULBRXVRMR-UHFFFAOYSA-N -1 3 367.323 4.056 20 0 FIADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000907779501 1113578085 /nfs/dbraw/zinc/57/80/85/1113578085.db2.gz YYVVJNXPDHJOBN-MRXNPFEDSA-N -1 3 357.841 4.080 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)ccc1F ZINC000242630174 1113586504 /nfs/dbraw/zinc/58/65/04/1113586504.db2.gz COPTWPWLXYUQKX-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000827974076 1113611053 /nfs/dbraw/zinc/61/10/53/1113611053.db2.gz SLGWZVXRUQDZOJ-CYBMUJFWSA-N -1 3 368.449 4.142 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000908524380 1113659239 /nfs/dbraw/zinc/65/92/39/1113659239.db2.gz CELHIARTUQGNGL-GFCCVEGCSA-N -1 3 368.271 4.141 20 0 FIADHM O=C([O-])c1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cc2ccccc21 ZINC000910359898 1113854426 /nfs/dbraw/zinc/85/44/26/1113854426.db2.gz OGFLYFDJCOAEMT-FQEVSTJZSA-N -1 3 366.461 4.274 20 0 FIADHM Cc1nc(S(=O)(=O)Cc2ccccc2OC(C)C)[n-]c1-c1ccccc1 ZINC000490459734 1114289026 /nfs/dbraw/zinc/28/90/26/1114289026.db2.gz VLKHEQMCDWIBGG-UHFFFAOYSA-N -1 3 370.474 4.146 20 0 FIADHM Cc1[n-]c(S(=O)(=O)Cc2ccccc2OC(C)C)nc1-c1ccccc1 ZINC000490459734 1114289030 /nfs/dbraw/zinc/28/90/30/1114289030.db2.gz VLKHEQMCDWIBGG-UHFFFAOYSA-N -1 3 370.474 4.146 20 0 FIADHM CC(C)O[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000490667700 1114314796 /nfs/dbraw/zinc/31/47/96/1114314796.db2.gz FCDSDEMQUGUPPN-INIZCTEOSA-N -1 3 364.239 4.260 20 0 FIADHM Cc1c2ccccc2sc1C(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299682 1114321956 /nfs/dbraw/zinc/32/19/56/1114321956.db2.gz PIGRIRHXMCHDGL-UHFFFAOYSA-N -1 3 366.398 4.233 20 0 FIADHM Cc1c2ccccc2sc1C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299682 1114321960 /nfs/dbraw/zinc/32/19/60/1114321960.db2.gz PIGRIRHXMCHDGL-UHFFFAOYSA-N -1 3 366.398 4.233 20 0 FIADHM O=C(OCCCc1nc(-c2ccccc2)no1)c1cc(Cl)c(Cl)[n-]1 ZINC000913287031 1114323353 /nfs/dbraw/zinc/32/33/53/1114323353.db2.gz QYMQMLPGPMPTJA-UHFFFAOYSA-N -1 3 366.204 4.161 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000669227782 1114494242 /nfs/dbraw/zinc/49/42/42/1114494242.db2.gz DONGECHHZFBRLG-KUHUBIRLSA-N -1 3 357.475 4.025 20 0 FIADHM CCOCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000588077579 1114519958 /nfs/dbraw/zinc/51/99/58/1114519958.db2.gz XUACSNFRFZXCIN-UHFFFAOYSA-N -1 3 363.479 4.120 20 0 FIADHM COc1ccc2[nH]cc(C3CCN(Cc4cc(C(=O)[O-])c(C)o4)CC3)c2c1 ZINC000572295890 1114626502 /nfs/dbraw/zinc/62/65/02/1114626502.db2.gz DLWHMBUUZMPSMR-UHFFFAOYSA-N -1 3 368.433 4.156 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C)[n-]1 ZINC000590236215 1114909022 /nfs/dbraw/zinc/90/90/22/1114909022.db2.gz PHUAMIIDPUXTFV-UHFFFAOYSA-N -1 3 350.374 4.154 20 0 FIADHM O=C([O-])[C@H](c1ccc(F)cc1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000572967763 1114939730 /nfs/dbraw/zinc/93/97/30/1114939730.db2.gz SWEODCGTMSMUOU-SFHVURJKSA-N -1 3 363.816 4.148 20 0 FIADHM C[C@@H](CSCCNCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000592461484 1115234643 /nfs/dbraw/zinc/23/46/43/1115234643.db2.gz HWJVCLSHCMOUBV-LBPRGKRZSA-N -1 3 353.871 4.144 20 0 FIADHM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CC2 ZINC000592470448 1115235301 /nfs/dbraw/zinc/23/53/01/1115235301.db2.gz XKDCIZVWKMSDFN-LJQANCHMSA-N -1 3 374.444 4.275 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)Cc3cc(C)cc(C)c3)nc2)n1 ZINC000574330133 1115347752 /nfs/dbraw/zinc/34/77/52/1115347752.db2.gz MWYYIAOJDNHXHA-MRXNPFEDSA-N -1 3 362.477 4.467 20 0 FIADHM CSCc1c2ccccc2oc1C(=O)[N-]c1nc(SC)ns1 ZINC000598911097 1115767807 /nfs/dbraw/zinc/76/78/07/1115767807.db2.gz GIDRLRXKHRJEDA-UHFFFAOYSA-N -1 3 351.478 4.122 20 0 FIADHM CC(C)Sc1ccccc1[N-]C(=O)c1coc2c1C(=O)NCC(C)(C)C2 ZINC001127199682 1115812885 /nfs/dbraw/zinc/81/28/85/1115812885.db2.gz QAOJVVJXWDSUDK-UHFFFAOYSA-N -1 3 372.490 4.345 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000599446837 1115815664 /nfs/dbraw/zinc/81/56/64/1115815664.db2.gz KMPJCNHKMHZIBN-AWEZNQCLSA-N -1 3 373.453 4.326 20 0 FIADHM Cc1oc2ncnc([N-]C(=O)c3cc(-c4ccccc4Cl)on3)c2c1C ZINC000605262694 1115878439 /nfs/dbraw/zinc/87/84/39/1115878439.db2.gz OQLOJIZAJYZBKO-UHFFFAOYSA-N -1 3 368.780 4.400 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c(C)c1 ZINC000605495105 1115904510 /nfs/dbraw/zinc/90/45/10/1115904510.db2.gz PUUWQEABMUUAMZ-LBPRGKRZSA-N -1 3 351.855 4.081 20 0 FIADHM C[C@@H]1c2ccc(F)cc2CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000606448945 1115944924 /nfs/dbraw/zinc/94/49/24/1115944924.db2.gz KHAUHGRJRPQVOE-GFCCVEGCSA-N -1 3 363.392 4.340 20 0 FIADHM S=c1[n-]nc(Cc2cccs2)n1CN1CC[C@H](Cc2ccccc2)C1 ZINC000172916496 1116008236 /nfs/dbraw/zinc/00/82/36/1116008236.db2.gz AWCPXYFHUIBULC-MRXNPFEDSA-N -1 3 370.547 4.115 20 0 FIADHM CCC(CC)c1cc(C(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)on1 ZINC000607469359 1116030871 /nfs/dbraw/zinc/03/08/71/1116030871.db2.gz WOPDADHISCMFJI-UHFFFAOYSA-N -1 3 361.467 4.442 20 0 FIADHM Cc1cccc2sc([N-]C(=O)c3noc(-c4cccc(F)c4)n3)nc21 ZINC000607998243 1116077812 /nfs/dbraw/zinc/07/78/12/1116077812.db2.gz YNPWQMRBHGYHAB-UHFFFAOYSA-N -1 3 354.366 4.046 20 0 FIADHM COc1ccc(SCCC(=O)Nc2cc(Cl)ccc2[O-])cc1OC ZINC000533994897 1116145381 /nfs/dbraw/zinc/14/53/81/1116145381.db2.gz ALEVPVCAVDSZOT-UHFFFAOYSA-N -1 3 367.854 4.184 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000534094124 1116158110 /nfs/dbraw/zinc/15/81/10/1116158110.db2.gz JHUSYVPXYIETHT-LBPRGKRZSA-N -1 3 353.374 4.057 20 0 FIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2csc([C@H]3CCCO3)n2)c1F ZINC000534191913 1116170208 /nfs/dbraw/zinc/17/02/08/1116170208.db2.gz CXBSSSFQKFLNJS-LLVKDONJSA-N -1 3 358.797 4.487 20 0 FIADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1csc(-c2ccc(Cl)s2)n1 ZINC000546857162 1116185979 /nfs/dbraw/zinc/18/59/79/1116185979.db2.gz PTGFQYSFZSBWPR-UHFFFAOYSA-N -1 3 365.871 4.163 20 0 FIADHM CN(C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1c(F)cccc1Cl ZINC000534727906 1116230375 /nfs/dbraw/zinc/23/03/75/1116230375.db2.gz AFXFTOPNHMXZPV-OAHLLOKOSA-N -1 3 357.212 4.080 20 0 FIADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000535437480 1116307099 /nfs/dbraw/zinc/30/70/99/1116307099.db2.gz RFZAQJZMGGBHLD-UHFFFAOYSA-N -1 3 355.825 4.160 20 0 FIADHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462430764 1116348362 /nfs/dbraw/zinc/34/83/62/1116348362.db2.gz UPCIDEFDKVSPHF-CMPLNLGQSA-N -1 3 366.346 4.066 20 0 FIADHM Cc1ccccc1CN1CCC(N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000462779712 1117762741 /nfs/dbraw/zinc/76/27/41/1117762741.db2.gz SSDFOAPSCFFYEW-UHFFFAOYSA-N -1 3 364.518 4.012 20 0 FIADHM Cc1nscc1C(=O)[N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000540051720 1117842359 /nfs/dbraw/zinc/84/23/59/1117842359.db2.gz VMEFYTODAPUIDY-UHFFFAOYSA-N -1 3 360.508 4.023 20 0 FIADHM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000463059944 1117947050 /nfs/dbraw/zinc/94/70/50/1117947050.db2.gz GNKHCWQRXNEPKU-KSFYIVLOSA-N -1 3 360.457 4.218 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ncccc1Oc1ccccc1 ZINC000463295199 1118079057 /nfs/dbraw/zinc/07/90/57/1118079057.db2.gz YLTISPMIGDHPOX-UHFFFAOYSA-N -1 3 364.386 4.238 20 0 FIADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2C(C)(C)C)c(=O)[n-]1 ZINC000669879425 1118190068 /nfs/dbraw/zinc/19/00/68/1118190068.db2.gz ABOWAXGWNJMOQI-UHFFFAOYSA-N -1 3 361.873 4.321 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c1F ZINC000541944949 1118710440 /nfs/dbraw/zinc/71/04/40/1118710440.db2.gz MPCPFPOSRGBROB-ZDUSSCGKSA-N -1 3 361.360 4.106 20 0 FIADHM CSc1ccc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)o1 ZINC000173222038 1119025159 /nfs/dbraw/zinc/02/51/59/1119025159.db2.gz ZMHDFWJZDJJZIA-UHFFFAOYSA-N -1 3 365.867 4.350 20 0 FIADHM CCC(CC)c1nnc([N-]C(=O)c2sc([C@H](C)OC)nc2C)s1 ZINC000175278562 1119194036 /nfs/dbraw/zinc/19/40/36/1119194036.db2.gz YSQKPMKRQQCZOK-VIFPVBQESA-N -1 3 354.501 4.166 20 0 FIADHM Cc1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000003469340 1119373669 /nfs/dbraw/zinc/37/36/69/1119373669.db2.gz CZPXAFRHEJPPHK-UHFFFAOYSA-N -1 3 374.466 4.460 20 0 FIADHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1c[n-]c2ccccc2c1=O ZINC000184613871 1119617466 /nfs/dbraw/zinc/61/74/66/1119617466.db2.gz VUWHWSNQQFTYRW-UHFFFAOYSA-N -1 3 366.726 4.453 20 0 FIADHM COc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c([O-])c1 ZINC000219950895 1119725592 /nfs/dbraw/zinc/72/55/92/1119725592.db2.gz UFJARNCVVOCPGQ-UHFFFAOYSA-N -1 3 365.351 4.224 20 0 FIADHM CN(C(=O)c1cccc(NCc2cc([O-])cc(F)c2)c1)c1ccccc1 ZINC000186404377 1119727179 /nfs/dbraw/zinc/72/71/79/1119727179.db2.gz GMYDNSJZRKAZLI-UHFFFAOYSA-N -1 3 350.393 4.420 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(C)c1 ZINC000189263891 1119879013 /nfs/dbraw/zinc/87/90/13/1119879013.db2.gz SNGVQFUDVQESQR-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(Br)c(F)cc2F)on1 ZINC000190588032 1119942447 /nfs/dbraw/zinc/94/24/47/1119942447.db2.gz IRHLRTJYNDQOQF-SSDOTTSWSA-N -1 3 359.170 4.481 20 0 FIADHM CC(C)OCCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000190885028 1119952551 /nfs/dbraw/zinc/95/25/51/1119952551.db2.gz VNPHLTKWMCPIBP-UHFFFAOYSA-N -1 3 364.492 4.293 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(Cl)c3C)c2)n1 ZINC000195358987 1120149213 /nfs/dbraw/zinc/14/92/13/1120149213.db2.gz GLTYDAQUIWFEKK-UHFFFAOYSA-N -1 3 367.836 4.213 20 0 FIADHM Cc1ncc(CN[C@H](c2ccc(F)cc2)c2ccccc2Cl)c(=O)[n-]1 ZINC000542498204 1120190855 /nfs/dbraw/zinc/19/08/55/1120190855.db2.gz HCRUTOKWTKCDRU-GOSISDBHSA-N -1 3 357.816 4.162 20 0 FIADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N(C)c1ccccc1 ZINC000914891383 1120627647 /nfs/dbraw/zinc/62/76/47/1120627647.db2.gz JQJJYOINHSFGBD-MRXNPFEDSA-N -1 3 356.447 4.074 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2nnc(SCc3cccs3)s2)c1 ZINC000302811627 1120710207 /nfs/dbraw/zinc/71/02/07/1120710207.db2.gz NYDMMKRGJFHBKB-UHFFFAOYSA-N -1 3 363.489 4.158 20 0 FIADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cc(Cl)cc(Cl)n1 ZINC000762449057 1120908836 /nfs/dbraw/zinc/90/88/36/1120908836.db2.gz MVPDTQGHBYLMPH-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM O=c1[n-]c(CN2CCC[C@H]2c2cccc(F)c2)nc2c3ccccc3oc21 ZINC000053718229 1120952146 /nfs/dbraw/zinc/95/21/46/1120952146.db2.gz YRKIWDKYSLLVFJ-INIZCTEOSA-N -1 3 363.392 4.146 20 0 FIADHM CS[C@@H](C)CCC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000762920456 1120996921 /nfs/dbraw/zinc/99/69/21/1120996921.db2.gz PYIPXZFNMWZLFX-WCBMZHEXSA-N -1 3 354.497 4.150 20 0 FIADHM O[C@H](CSc1nnc([N-]c2ccccc2F)s1)Cc1ccccc1 ZINC000029138230 1121030314 /nfs/dbraw/zinc/03/03/14/1121030314.db2.gz SUNDDXLPJMQIHD-ZDUSSCGKSA-N -1 3 361.467 4.117 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000472019253 1121180998 /nfs/dbraw/zinc/18/09/98/1121180998.db2.gz VQLUBYRUTZNGME-SFHVURJKSA-N -1 3 361.397 4.251 20 0 FIADHM O=C(C[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000472247906 1121201630 /nfs/dbraw/zinc/20/16/30/1121201630.db2.gz TZJRTWGWLGGTLF-IBGZPJMESA-N -1 3 359.425 4.423 20 0 FIADHM O=C(NC[C@H]1CCCCN1Cc1cccc([O-])c1Cl)Nc1ccccc1 ZINC000507351946 1121218578 /nfs/dbraw/zinc/21/85/78/1121218578.db2.gz HJESUJKBQZNXQD-QGZVFWFLSA-N -1 3 373.884 4.222 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(O)c2ccccc2c1 ZINC000472442971 1121241633 /nfs/dbraw/zinc/24/16/33/1121241633.db2.gz QCZRJDYQYGQECX-UHFFFAOYSA-N -1 3 358.191 4.266 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)N[C@H]3CCCC[C@@H]3C)c2)n1 ZINC000916021852 1121380805 /nfs/dbraw/zinc/38/08/05/1121380805.db2.gz HNWPFODVPPQECX-GUYCJALGSA-N -1 3 370.522 4.277 20 0 FIADHM COc1cc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000916139962 1121425374 /nfs/dbraw/zinc/42/53/74/1121425374.db2.gz IYURLFMGIWBBSP-KPKJPENVSA-N -1 3 363.200 4.440 20 0 FIADHM CC(C)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[n-]c(=O)c2c1 ZINC000060797347 1121495141 /nfs/dbraw/zinc/49/51/41/1121495141.db2.gz VDIRVBWNRUYWIB-UHFFFAOYSA-N -1 3 363.339 4.050 20 0 FIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)cc1 ZINC000063176882 1121553732 /nfs/dbraw/zinc/55/37/32/1121553732.db2.gz JRXVEJAUIKTWLN-UHFFFAOYSA-N -1 3 367.442 4.204 20 0 FIADHM O=C(NCc1ccccc1Oc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000063250240 1121554335 /nfs/dbraw/zinc/55/43/35/1121554335.db2.gz IRKKXTXHLLMXNK-UHFFFAOYSA-N -1 3 370.408 4.250 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 ZINC000123481520 1121596383 /nfs/dbraw/zinc/59/63/83/1121596383.db2.gz ORECFVHRGZCHNN-GOSISDBHSA-N -1 3 358.482 4.316 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCc4cc(Cl)ccc43)nc2)n1 ZINC000068691389 1121839392 /nfs/dbraw/zinc/83/93/92/1121839392.db2.gz UCQLJPWBHHEEDC-QGZVFWFLSA-N -1 3 366.852 4.147 20 0 FIADHM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000126502629 1121960813 /nfs/dbraw/zinc/96/08/13/1121960813.db2.gz RXZIHIFGZDIGOT-ZDUSSCGKSA-N -1 3 368.458 4.363 20 0 FIADHM CC[C@@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC[C@H]1c1ccccc1 ZINC000126678525 1121975611 /nfs/dbraw/zinc/97/56/11/1121975611.db2.gz GKNCSMBXNSMRHP-CRAIPNDOSA-N -1 3 369.461 4.065 20 0 FIADHM CC(C)Oc1cc(F)c(F)cc1[N-]c1nnc(Br)s1 ZINC001212220488 1122051605 /nfs/dbraw/zinc/05/16/05/1122051605.db2.gz PQCKKEXEMWGVGR-UHFFFAOYSA-N -1 3 350.188 4.110 20 0 FIADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000055674517 1122260962 /nfs/dbraw/zinc/26/09/62/1122260962.db2.gz ZHEYZVNSZFDHLZ-UHFFFAOYSA-N -1 3 374.506 4.360 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1ccccc1OCCOc1ccccc1 ZINC000128758449 1122399295 /nfs/dbraw/zinc/39/92/95/1122399295.db2.gz RLYFULCDJKJYEE-UHFFFAOYSA-N -1 3 367.376 4.241 20 0 FIADHM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000497786492 1122411755 /nfs/dbraw/zinc/41/17/55/1122411755.db2.gz YKCSOOUZRZDMIW-KBXCAEBGSA-N -1 3 372.440 4.223 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000128823737 1122424423 /nfs/dbraw/zinc/42/44/23/1122424423.db2.gz SNCGAWIABNAOIG-RYUDHWBXSA-N -1 3 350.187 4.036 20 0 FIADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000498020504 1122522735 /nfs/dbraw/zinc/52/27/35/1122522735.db2.gz MZSZKSCMZRKLLR-UHFFFAOYSA-N -1 3 356.850 4.409 20 0 FIADHM O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1cccc([O-])c1F ZINC000129144964 1122545767 /nfs/dbraw/zinc/54/57/67/1122545767.db2.gz DLCHMCJCNYJGOB-UHFFFAOYSA-N -1 3 374.799 4.423 20 0 FIADHM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cccc([O-])c3F)c21 ZINC000129296701 1122566356 /nfs/dbraw/zinc/56/63/56/1122566356.db2.gz LHLKPBOUGIIMRM-UHFFFAOYSA-N -1 3 355.369 4.321 20 0 FIADHM O=C([N-]c1nc2ccc(F)cn2n1)c1occc1CSc1ccccc1 ZINC000129728623 1122687883 /nfs/dbraw/zinc/68/78/83/1122687883.db2.gz NUOTTZHOPSCDDI-UHFFFAOYSA-N -1 3 368.393 4.006 20 0 FIADHM COc1cc(C)sc1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000070839365 1122811072 /nfs/dbraw/zinc/81/10/72/1122811072.db2.gz PGUKUZIEQRYFBK-UHFFFAOYSA-N -1 3 351.478 4.206 20 0 FIADHM CCN(C(=O)COC(=O)c1cc2ccsc2[n-]1)[C@H](C)c1ccc(F)cc1 ZINC000918939241 1122841386 /nfs/dbraw/zinc/84/13/86/1122841386.db2.gz BFMKOEJCWAVMIZ-GFCCVEGCSA-N -1 3 374.437 4.135 20 0 FIADHM CCOc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)[n-]2)cc1Cl ZINC000556409924 1122875542 /nfs/dbraw/zinc/87/55/42/1122875542.db2.gz KXZYQDJCNZVOAP-UHFFFAOYSA-N -1 3 360.797 4.072 20 0 FIADHM O=C([N-]OCCC(F)(F)F)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000155047486 1123078674 /nfs/dbraw/zinc/07/86/74/1123078674.db2.gz VRVINZOBASDWLE-NEPJUHHUSA-N -1 3 370.396 4.346 20 0 FIADHM CC1(C)CN(Cc2ncccc2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000556909446 1123207809 /nfs/dbraw/zinc/20/78/09/1123207809.db2.gz FYKLSCDFQSAOJO-QGZVFWFLSA-N -1 3 366.383 4.158 20 0 FIADHM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1c([O-])cccc1F ZINC000132240079 1123234187 /nfs/dbraw/zinc/23/41/87/1123234187.db2.gz IWLBAHQXIJVJIU-UHFFFAOYSA-N -1 3 374.375 4.236 20 0 FIADHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1scnc1Cl)CCCC2 ZINC000920078884 1123334517 /nfs/dbraw/zinc/33/45/17/1123334517.db2.gz UYHIYNUYVCHENL-UHFFFAOYSA-N -1 3 370.883 4.166 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2SC(C)C)[n-]1 ZINC000557064174 1123362354 /nfs/dbraw/zinc/36/23/54/1123362354.db2.gz LVWVUAMROJDMCH-UHFFFAOYSA-N -1 3 352.843 4.208 20 0 FIADHM Cc1ccc(OC(=O)c2cc3ccsc3[n-]2)c(C(=O)NCC(C)C)c1 ZINC000920335986 1123445055 /nfs/dbraw/zinc/44/50/55/1123445055.db2.gz VLLWXJGJUACVFL-UHFFFAOYSA-N -1 3 356.447 4.143 20 0 FIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000920394190 1123458177 /nfs/dbraw/zinc/45/81/77/1123458177.db2.gz IEVNWHPAWIGVPS-UHFFFAOYSA-N -1 3 371.458 4.056 20 0 FIADHM O=C([N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)C(F)(F)c1ccc(F)cc1 ZINC000920844076 1123528215 /nfs/dbraw/zinc/52/82/15/1123528215.db2.gz PXGXILBGXQRFIX-SJORKVTESA-N -1 3 367.342 4.093 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000920845067 1123528586 /nfs/dbraw/zinc/52/85/86/1123528586.db2.gz MHWBYYHCUPLSNI-JTQLQIEISA-N -1 3 359.294 4.396 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](c3ccccc3)C(C)C)cc2)n1 ZINC000079754656 1123922254 /nfs/dbraw/zinc/92/22/54/1123922254.db2.gz NVJHCCXBKLKLTR-HXUWFJFHSA-N -1 3 361.445 4.124 20 0 FIADHM O=C(Cc1cccc2ccccc21)[N-]OCc1ncc(Cl)cc1Cl ZINC000179686262 1124030386 /nfs/dbraw/zinc/03/03/86/1124030386.db2.gz FRGMXMVTSTUSJM-UHFFFAOYSA-N -1 3 361.228 4.332 20 0 FIADHM CN(C(=O)NCc1ccc([O-])c(F)c1)C1c2ccccc2-c2ccccc21 ZINC000081497756 1124030939 /nfs/dbraw/zinc/03/09/39/1124030939.db2.gz SSXICYFISYZLQM-UHFFFAOYSA-N -1 3 362.404 4.443 20 0 FIADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(F)c(F)cc1Cl ZINC000615988415 1124199430 /nfs/dbraw/zinc/19/94/30/1124199430.db2.gz PJCWFIRXSOJZJV-UHFFFAOYSA-N -1 3 357.794 4.451 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3c(F)cc(C)cc3F)s2)cc1 ZINC001127585418 1124220539 /nfs/dbraw/zinc/22/05/39/1124220539.db2.gz YOAIQCYJYFCWAN-UHFFFAOYSA-N -1 3 361.373 4.053 20 0 FIADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(SC)ccc3[O-])C2)c1 ZINC000616133767 1124245435 /nfs/dbraw/zinc/24/54/35/1124245435.db2.gz YMGOSBXEEQVTKM-SHTZXODSSA-N -1 3 357.475 4.141 20 0 FIADHM CCCC(=O)Nc1cccc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000108152766 1124249891 /nfs/dbraw/zinc/24/98/91/1124249891.db2.gz FVTSHDUHFALOEP-UHFFFAOYSA-N -1 3 354.450 4.184 20 0 FIADHM CC[C@@H](c1ccc(Br)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405366717 1124540858 /nfs/dbraw/zinc/54/08/58/1124540858.db2.gz VKVXIXSQERQNCJ-CABCVRRESA-N -1 3 352.272 4.087 20 0 FIADHM CC[C@H](c1ccc(Br)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405366720 1124541079 /nfs/dbraw/zinc/54/10/79/1124541079.db2.gz VKVXIXSQERQNCJ-LSDHHAIUSA-N -1 3 352.272 4.087 20 0 FIADHM O=S(=O)([N-]Cc1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000007375248 1124899447 /nfs/dbraw/zinc/89/94/47/1124899447.db2.gz GZURSEZXJVEVPQ-UHFFFAOYSA-N -1 3 350.654 4.125 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)[C@H]4CCCC[C@H]43)cc2)cc(=O)[n-]1 ZINC000542932813 1124900249 /nfs/dbraw/zinc/90/02/49/1124900249.db2.gz XCAGRJSZRFXIAS-BOFPYLFWSA-N -1 3 366.465 4.200 20 0 FIADHM C[C@H](O)[C@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000253545042 1125250772 /nfs/dbraw/zinc/25/07/72/1125250772.db2.gz NMVLYALRRDSZOR-GUBZILKMSA-N -1 3 350.465 4.220 20 0 FIADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000499621161 1125316415 /nfs/dbraw/zinc/31/64/15/1125316415.db2.gz HBJCRWNCLWVGFM-QWHCGFSZSA-N -1 3 350.459 4.318 20 0 FIADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1-c1cccc(Br)c1 ZINC001212483985 1125352884 /nfs/dbraw/zinc/35/28/84/1125352884.db2.gz CXUMIPYMEJVOAB-UHFFFAOYSA-N -1 3 366.165 4.362 20 0 FIADHM Cc1nc2cc(NC(=O)c3c[n-]nc3-c3ccc(Cl)cc3)ccc2o1 ZINC000009679292 204378332 /nfs/dbraw/zinc/37/83/32/204378332.db2.gz XTPSPNJWOPDTPJ-UHFFFAOYSA-N -1 3 352.781 4.432 20 0 FIADHM Cc1cc2occ(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)c2cc1C(C)C ZINC000045947013 205128117 /nfs/dbraw/zinc/12/81/17/205128117.db2.gz VYOJRZUBGHWGHE-UHFFFAOYSA-N -1 3 366.343 4.183 20 0 FIADHM Cc1cc2occ(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)c2cc1C(C)C ZINC000045947013 205128120 /nfs/dbraw/zinc/12/81/20/205128120.db2.gz VYOJRZUBGHWGHE-UHFFFAOYSA-N -1 3 366.343 4.183 20 0 FIADHM C[C@@H]1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)c2c([O-])cccc21 ZINC000186256457 567895244 /nfs/dbraw/zinc/89/52/44/567895244.db2.gz ZBTHAGIHRWCRNV-MRXNPFEDSA-N -1 3 365.477 4.322 20 0 FIADHM Cc1cn(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000186260553 567895352 /nfs/dbraw/zinc/89/53/52/567895352.db2.gz HXZKGKDNTHDWND-UHFFFAOYSA-N -1 3 361.323 4.157 20 0 FIADHM Cc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000186265991 567895675 /nfs/dbraw/zinc/89/56/75/567895675.db2.gz NXZCWMLMLIDEEV-LBPRGKRZSA-N -1 3 366.461 4.338 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)c1 ZINC000186989799 568039072 /nfs/dbraw/zinc/03/90/72/568039072.db2.gz YJLITUBLLMVPKI-UHFFFAOYSA-N -1 3 359.381 4.078 20 0 FIADHM CC(=O)Nc1sc(NC(=O)c2cc(C)ccc2[O-])nc1-c1ccccc1 ZINC000187000708 568048393 /nfs/dbraw/zinc/04/83/93/568048393.db2.gz NRURFVXVWWATGV-UHFFFAOYSA-N -1 3 367.430 4.035 20 0 FIADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cc(Cl)ccc1Cl ZINC000522758359 568053388 /nfs/dbraw/zinc/05/33/88/568053388.db2.gz UFZCDSKHBDBLRY-LBPRGKRZSA-N -1 3 360.287 4.119 20 0 FIADHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)cc1C ZINC000603615175 568128476 /nfs/dbraw/zinc/12/84/76/568128476.db2.gz SPMZIEFVRKDVCZ-UHFFFAOYSA-N -1 3 374.393 4.280 20 0 FIADHM O=C1[C@H]([N-]c2nc3ccccc3o2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000603705909 568140688 /nfs/dbraw/zinc/14/06/88/568140688.db2.gz OAMAKLQELMETLW-CQSZACIVSA-N -1 3 361.323 4.064 20 0 FIADHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)c1ccc2ccccc2c1 ZINC000604112543 568214932 /nfs/dbraw/zinc/21/49/32/568214932.db2.gz IYXXTPIJBJTGQN-LBPRGKRZSA-N -1 3 354.431 4.284 20 0 FIADHM CCOC(=O)c1sc(-c2ccc(F)cc2)cc1[N-]C(=O)c1cc(C)no1 ZINC000604481844 568300554 /nfs/dbraw/zinc/30/05/54/568300554.db2.gz IVZPEMIOJORJKU-UHFFFAOYSA-N -1 3 374.393 4.280 20 0 FIADHM Cc1c(C(=O)Nc2cc(Cl)cc(C)c2[O-])cnn1-c1ccc(C)cc1 ZINC000604901932 568385041 /nfs/dbraw/zinc/38/50/41/568385041.db2.gz GUFZNNSBUHYZAB-UHFFFAOYSA-N -1 3 355.825 4.409 20 0 FIADHM CC(=O)c1sc2[n-]c(CSc3ccc(F)c(F)c3)nc(=O)c2c1C ZINC000007107584 568455679 /nfs/dbraw/zinc/45/56/79/568455679.db2.gz DECKOODALRYGSU-UHFFFAOYSA-N -1 3 366.414 4.066 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000618536686 568471664 /nfs/dbraw/zinc/47/16/64/568471664.db2.gz BBAZTBKHGPRWTA-UHFFFAOYSA-N -1 3 368.264 4.025 20 0 FIADHM CN(C)c1nc2sc(C(=O)[N-]c3nc4ccsc4s3)cc2s1 ZINC000605145564 568584316 /nfs/dbraw/zinc/58/43/16/568584316.db2.gz PITSAEFVRHXQBH-UHFFFAOYSA-N -1 3 366.518 4.347 20 0 FIADHM COc1ccc(N[C@H](C)c2ccc3c(c2)CCCC3)cc1[N-]S(C)(=O)=O ZINC000182730557 1125608056 /nfs/dbraw/zinc/60/80/56/1125608056.db2.gz SVHZOTBMOXGVPI-CQSZACIVSA-N -1 3 374.506 4.119 20 0 FIADHM C[C@H](CCO)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000610207460 1079945703 /nfs/dbraw/zinc/94/57/03/1079945703.db2.gz PKCLBEOWRZTFIZ-ZJUUUORDSA-N -1 3 350.465 4.222 20 0 FIADHM C[C@@H](S[C@@H](C)CCO)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000610207459 1079945976 /nfs/dbraw/zinc/94/59/76/1079945976.db2.gz PKCLBEOWRZTFIZ-VHSXEESVSA-N -1 3 350.465 4.222 20 0 FIADHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000655110528 1079980406 /nfs/dbraw/zinc/98/04/06/1079980406.db2.gz CKYMGVIXRUCFLO-GFCCVEGCSA-N -1 3 374.868 4.100 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC=C(c3cn(C(C)C)nn3)CC2)c([O-])c1 ZINC000655127849 1080000149 /nfs/dbraw/zinc/00/01/49/1080000149.db2.gz JFNDGYGDNSPQHO-UHFFFAOYSA-N -1 3 368.481 4.008 20 0 FIADHM Cc1ccc([O-])c(CN2C[C@@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000430221845 1080017851 /nfs/dbraw/zinc/01/78/51/1080017851.db2.gz UMQYIKYOTMTWQT-FZKQIMNGSA-N -1 3 366.383 4.076 20 0 FIADHM C[C@]1(c2ccccc2)CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000510108091 1080037428 /nfs/dbraw/zinc/03/74/28/1080037428.db2.gz ISNQEGWOJJQYTA-FQEVSTJZSA-N -1 3 353.491 4.341 20 0 FIADHM O=C([O-])c1cccc(Cl)c1CN1CCC(OCc2ccccc2)CC1 ZINC000579848032 1080082302 /nfs/dbraw/zinc/08/23/02/1080082302.db2.gz KGUCKPJAKZGWNN-UHFFFAOYSA-N -1 3 359.853 4.219 20 0 FIADHM COc1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c(C2CC2)cc1Cl ZINC000655410689 1080258526 /nfs/dbraw/zinc/25/85/26/1080258526.db2.gz ADFRSBSSYXKXRR-UHFFFAOYSA-N -1 3 359.809 4.387 20 0 FIADHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000016129199 1080351450 /nfs/dbraw/zinc/35/14/50/1080351450.db2.gz PIYZFNUNMMXVLJ-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001625859658 1080712255 /nfs/dbraw/zinc/71/22/55/1080712255.db2.gz LZXZWRIZAABKIS-JTSKRJEESA-N -1 3 367.489 4.308 20 0 FIADHM Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(-c2ccccc2Cl)n1 ZINC000153668664 1080716385 /nfs/dbraw/zinc/71/63/85/1080716385.db2.gz ZYTCJZSMLWXHDS-UHFFFAOYSA-N -1 3 362.216 4.352 20 0 FIADHM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc(Cl)cc(Cl)c1F ZINC001266460525 1080922493 /nfs/dbraw/zinc/92/24/93/1080922493.db2.gz WHODPEDKZBRJOG-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1cc(-c2ccccc2)ccc1Cl ZINC000471419586 1081159323 /nfs/dbraw/zinc/15/93/23/1081159323.db2.gz PCUGBHQQJPDJIV-UHFFFAOYSA-N -1 3 353.809 4.429 20 0 FIADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(C)c(C)ccc1Cl ZINC000683719281 1081437810 /nfs/dbraw/zinc/43/78/10/1081437810.db2.gz DBCVPLVREDZLLC-UHFFFAOYSA-N -1 3 360.262 4.420 20 0 FIADHM CC[C@@H]1CCc2c(sc3[n-]c(COc4ccc(OC)cc4)nc(=O)c23)C1 ZINC000063579561 1081519371 /nfs/dbraw/zinc/51/93/71/1081519371.db2.gz YJSJCZUCFFVPRV-GFCCVEGCSA-N -1 3 370.474 4.087 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2sc(C)cc2OC(F)F)c(F)c1 ZINC000536309858 1081532697 /nfs/dbraw/zinc/53/26/97/1081532697.db2.gz CGEUXJNDEKCMSS-UHFFFAOYSA-N -1 3 361.316 4.391 20 0 FIADHM O=C([N-]c1cc(F)cc(Br)c1F)c1coc(C2CCC2)n1 ZINC000683799001 1081579911 /nfs/dbraw/zinc/57/99/11/1081579911.db2.gz ZCZDBWTUQSNREV-UHFFFAOYSA-N -1 3 357.154 4.235 20 0 FIADHM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001125426402 1081731960 /nfs/dbraw/zinc/73/19/60/1081731960.db2.gz OKXJLZUUSBKJTH-UHFFFAOYSA-N -1 3 370.718 4.298 20 0 FIADHM Cn1nc(Br)c2ccc(Nc3cccc([O-])c3Cl)cc21 ZINC001210860246 1081788866 /nfs/dbraw/zinc/78/88/66/1081788866.db2.gz RVMHHCMIIFXZOH-UHFFFAOYSA-N -1 3 352.619 4.438 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ncsc1C1CC1 ZINC001125437789 1081827497 /nfs/dbraw/zinc/82/74/97/1081827497.db2.gz VFWJRXWKMRUDSL-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM COc1ccc(CCC2CCN(Cc3ccc(C(=O)[O-])cc3F)CC2)cc1 ZINC000580336218 1081862131 /nfs/dbraw/zinc/86/21/31/1081862131.db2.gz CULCJXSIDPWVST-UHFFFAOYSA-N -1 3 371.452 4.377 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(Cl)c1SCC(F)F ZINC000160623828 1082126474 /nfs/dbraw/zinc/12/64/74/1082126474.db2.gz ZEUYMWNKQWYGTE-GFCCVEGCSA-N -1 3 366.817 4.277 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(Cl)c1SCC(F)F ZINC000160623828 1082126478 /nfs/dbraw/zinc/12/64/78/1082126478.db2.gz ZEUYMWNKQWYGTE-GFCCVEGCSA-N -1 3 366.817 4.277 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(F)(c2ccccn2)CC1 ZINC000581027504 1082280134 /nfs/dbraw/zinc/28/01/34/1082280134.db2.gz VYOIBLZQACEUFS-UHFFFAOYSA-N -1 3 350.393 4.041 20 0 FIADHM Cc1ccc(C)c(OC2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)c1 ZINC000581136792 1082338326 /nfs/dbraw/zinc/33/83/26/1082338326.db2.gz DIUGWHDTLCLKGB-HXUWFJFHSA-N -1 3 357.425 4.112 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000581223580 1082386696 /nfs/dbraw/zinc/38/66/96/1082386696.db2.gz SPZDOOIQNBYQEM-QHCPKHFHSA-N -1 3 359.425 4.155 20 0 FIADHM CC(C)OCc1ccccc1CNCc1cccc([O-])c1Br ZINC000656471618 1082456588 /nfs/dbraw/zinc/45/65/88/1082456588.db2.gz XFTXGERVLMLXFQ-UHFFFAOYSA-N -1 3 364.283 4.370 20 0 FIADHM O=C(Nc1ncccc1[O-])C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000656496973 1082490164 /nfs/dbraw/zinc/49/01/64/1082490164.db2.gz JLKCBWIPOJDBAQ-UHFFFAOYSA-N -1 3 350.340 4.257 20 0 FIADHM Cc1noc(C)c1CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157242876 1082679228 /nfs/dbraw/zinc/67/92/28/1082679228.db2.gz VKCKPDZQIBISBN-UHFFFAOYSA-N -1 3 352.390 4.062 20 0 FIADHM O=C([O-])[C@H](c1cccc(Br)c1)N1CCC(C2CCC2)CC1 ZINC000656759282 1082752266 /nfs/dbraw/zinc/75/22/66/1082752266.db2.gz ASSPJQJFVJRDOG-INIZCTEOSA-N -1 3 352.272 4.087 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC([C@H]2CCCCO2)CC1 ZINC000656766609 1082758797 /nfs/dbraw/zinc/75/87/97/1082758797.db2.gz ANBGPCRYQLIWOO-WBVHZDCISA-N -1 3 372.292 4.400 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4occc4s3)c2)n1 ZINC000605456152 1082835146 /nfs/dbraw/zinc/83/51/46/1082835146.db2.gz SIJCYXKUFPFQQV-UHFFFAOYSA-N -1 3 365.414 4.472 20 0 FIADHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCc1cccc(Cl)c1Cl ZINC000581731865 1082849798 /nfs/dbraw/zinc/84/97/98/1082849798.db2.gz SIEOFKABTCZKTG-INIZCTEOSA-N -1 3 350.245 4.047 20 0 FIADHM Cc1ccc(CC(=O)Nc2c([O-])cccc2Cl)cc1Br ZINC000564400680 1082859380 /nfs/dbraw/zinc/85/93/80/1082859380.db2.gz SINQTMNODRGLOC-UHFFFAOYSA-N -1 3 354.631 4.298 20 0 FIADHM CCC[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000471783792 1082986253 /nfs/dbraw/zinc/98/62/53/1082986253.db2.gz YHSYXXPWLPMTMP-AWEZNQCLSA-N -1 3 368.264 4.435 20 0 FIADHM Cn1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(-c2cccs2)n1 ZINC000159356464 1083271734 /nfs/dbraw/zinc/27/17/34/1083271734.db2.gz GCMDJZPIXYCGQW-UHFFFAOYSA-N -1 3 367.352 4.125 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1[O-] ZINC000081938562 1083526946 /nfs/dbraw/zinc/52/69/46/1083526946.db2.gz LKUTWODRCHRFKY-HNNXBMFYSA-N -1 3 350.418 4.116 20 0 FIADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1OCC(C)C ZINC000426785112 1083564640 /nfs/dbraw/zinc/56/46/40/1083564640.db2.gz VQTSLJAOOLVWCB-SFHVURJKSA-N -1 3 363.479 4.097 20 0 FIADHM CC(C)[C@@H](NCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000277086934 1083738557 /nfs/dbraw/zinc/73/85/57/1083738557.db2.gz XCYSSTFQFPYMTK-GFCCVEGCSA-N -1 3 356.900 4.147 20 0 FIADHM COc1cccc(C=C2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)c1 ZINC000612396205 1083770018 /nfs/dbraw/zinc/77/00/18/1083770018.db2.gz UURMZQFKWCTFFC-UHFFFAOYSA-N -1 3 369.486 4.442 20 0 FIADHM CC1(C)CC[C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)c2ccccc21 ZINC000535831884 1083784993 /nfs/dbraw/zinc/78/49/93/1083784993.db2.gz BZVZNQOORSJZGX-OAHLLOKOSA-N -1 3 360.457 4.113 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065918492 1083799763 /nfs/dbraw/zinc/79/97/63/1083799763.db2.gz LHDOQULOCXJPJZ-UHFFFAOYSA-N -1 3 371.440 4.029 20 0 FIADHM CC(C)(C)n1cc(CSc2nnc([N-]c3ccccc3F)s2)nn1 ZINC000657227938 1083992570 /nfs/dbraw/zinc/99/25/70/1083992570.db2.gz LMBQZQRPPRSBPV-UHFFFAOYSA-N -1 3 364.475 4.060 20 0 FIADHM Cc1ccc(C[C@H](CNCc2csc(-c3ccsc3)n2)C(=O)[O-])cc1 ZINC000277224571 1084038533 /nfs/dbraw/zinc/03/85/33/1084038533.db2.gz IBNBWCHOJKVDSX-MRXNPFEDSA-N -1 3 372.515 4.213 20 0 FIADHM O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cccc(Cl)c1[O-] ZINC001125800834 1084105797 /nfs/dbraw/zinc/10/57/97/1084105797.db2.gz FCEUYJJYWRZVFL-UHFFFAOYSA-N -1 3 365.172 4.106 20 0 FIADHM C[C@@H](c1ccccc1)n1ccc(=NC(=O)c2cc3cc(Cl)sc3[n-]2)[nH]1 ZINC000644019933 1084190579 /nfs/dbraw/zinc/19/05/79/1084190579.db2.gz DRSFRDVLIFJXBW-NSHDSACASA-N -1 3 370.865 4.363 20 0 FIADHM CCc1c(NC(=O)c2cc([O-])c3ccccc3c2)onc1C(F)(F)F ZINC000685826930 1084244466 /nfs/dbraw/zinc/24/44/66/1084244466.db2.gz LGPYYSNAKONMCB-UHFFFAOYSA-N -1 3 350.296 4.367 20 0 FIADHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc(Br)ccc1[O-] ZINC000613029407 1084282141 /nfs/dbraw/zinc/28/21/41/1084282141.db2.gz WNFKHCMCZJDSAY-JSGCOSHPSA-N -1 3 360.198 4.309 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(Cc3ccc(F)c(F)c3)CC2)cc1F ZINC000582015025 1084296444 /nfs/dbraw/zinc/29/64/44/1084296444.db2.gz XOJYRTRCSAWTAF-UHFFFAOYSA-N -1 3 363.379 4.257 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)[n-]1 ZINC000431736957 1084342135 /nfs/dbraw/zinc/34/21/35/1084342135.db2.gz PXAXXOUBIFCKFL-UHFFFAOYSA-N -1 3 352.415 4.205 20 0 FIADHM COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(SC)ccc2[O-])cc1 ZINC000613111672 1084356911 /nfs/dbraw/zinc/35/69/11/1084356911.db2.gz PTHWTEQOPHYVSF-AWEZNQCLSA-N -1 3 359.491 4.074 20 0 FIADHM Cc1ccc(Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(Cl)c1[O-] ZINC001203204671 1084533215 /nfs/dbraw/zinc/53/32/15/1084533215.db2.gz UIXDNMOHZUYXPZ-UHFFFAOYSA-N -1 3 368.886 4.174 20 0 FIADHM CCOc1cc(CNc2cccc(COCCOC)c2)cc(Cl)c1[O-] ZINC000613286776 1084550770 /nfs/dbraw/zinc/55/07/70/1084550770.db2.gz NZGDDTWGTRUCGG-UHFFFAOYSA-N -1 3 365.857 4.219 20 0 FIADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000582067997 1084560268 /nfs/dbraw/zinc/56/02/68/1084560268.db2.gz SEEJHNPYAIAFIN-SNVBAGLBSA-N -1 3 374.384 4.141 20 0 FIADHM O=C([O-])c1ccoc1CN1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000563285017 1084776682 /nfs/dbraw/zinc/77/66/82/1084776682.db2.gz WXIANXJTNFBYFC-UHFFFAOYSA-N -1 3 353.340 4.376 20 0 FIADHM CCCO[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000582246967 1084793762 /nfs/dbraw/zinc/79/37/62/1084793762.db2.gz WYJIACOYPBPAEE-BBRMVZONSA-N -1 3 360.281 4.400 20 0 FIADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCC[C@H](C)CC(=O)[O-] ZINC000277534424 1084829986 /nfs/dbraw/zinc/82/99/86/1084829986.db2.gz ZHFSUOJGAMRCQX-AWEZNQCLSA-N -1 3 363.889 4.240 20 0 FIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC[C@H](C)c3ccccc3)c2)n1 ZINC000160983065 1084962518 /nfs/dbraw/zinc/96/25/18/1084962518.db2.gz UQZAOUUSJDCUFD-HNNXBMFYSA-N -1 3 362.429 4.235 20 0 FIADHM COc1ccc([C@@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468514504 1085013044 /nfs/dbraw/zinc/01/30/44/1085013044.db2.gz HHOGXTZMVJYTRI-IBGZPJMESA-N -1 3 357.425 4.226 20 0 FIADHM [O-]c1ccccc1-c1nnc(CN2CCCC[C@H]2c2ccc(F)cc2F)o1 ZINC001167771771 1085184514 /nfs/dbraw/zinc/18/45/14/1085184514.db2.gz AKGRJIBJEIHIOY-KRWDZBQOSA-N -1 3 371.387 4.448 20 0 FIADHM CCCCCc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432193849 1085200837 /nfs/dbraw/zinc/20/08/37/1085200837.db2.gz XJKZPZPBPLSRKI-UHFFFAOYSA-N -1 3 370.474 4.062 20 0 FIADHM CCc1ccc(-c2nc(CNC(C)(C)c3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000660745006 1085246106 /nfs/dbraw/zinc/24/61/06/1085246106.db2.gz PDUWWVACOZYVEE-UHFFFAOYSA-N -1 3 368.506 4.201 20 0 FIADHM O=C([N-]c1ncc(-c2ccc(F)cc2)s1)c1cc(-c2ccccn2)no1 ZINC000432206471 1085246260 /nfs/dbraw/zinc/24/62/60/1085246260.db2.gz RKGDVJUYVVLCSD-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM O=c1nc(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)[n-]c2ccsc21 ZINC000511878275 1085281138 /nfs/dbraw/zinc/28/11/38/1085281138.db2.gz XPIMAPCRZHOACK-BFYDXBDKSA-N -1 3 351.475 4.165 20 0 FIADHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000511181403 1085391426 /nfs/dbraw/zinc/39/14/26/1085391426.db2.gz FTXUXZKKYALHBO-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4ccccc4c3)c2)n1 ZINC000049301810 1085442378 /nfs/dbraw/zinc/44/23/78/1085442378.db2.gz QMNFUMGFFQGSGU-UHFFFAOYSA-N -1 3 369.424 4.405 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)n1 ZINC000049302494 1085443805 /nfs/dbraw/zinc/44/38/05/1085443805.db2.gz BKKFEQYNESKKSW-UHFFFAOYSA-N -1 3 371.799 4.044 20 0 FIADHM C[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000643192869 1085741430 /nfs/dbraw/zinc/74/14/30/1085741430.db2.gz VOYZLDFVZXQTOA-SECBINFHSA-N -1 3 353.369 4.267 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](c4ccccc4)C3)nc2)n1 ZINC000431494330 1085798658 /nfs/dbraw/zinc/79/86/58/1085798658.db2.gz KQVPICMOLCDRJR-GOSISDBHSA-N -1 3 360.461 4.191 20 0 FIADHM O=C(Nc1ncc(-c2ccccc2F)s1)c1c[n-]c2ccccc2c1=O ZINC000549570327 1085823000 /nfs/dbraw/zinc/82/30/00/1085823000.db2.gz PHJINTQXMKDIIL-UHFFFAOYSA-N -1 3 365.389 4.043 20 0 FIADHM CCS[C@H]1CC[C@H](N(C)Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000582850866 1085833767 /nfs/dbraw/zinc/83/37/67/1085833767.db2.gz DTYDWDONVOEZNO-KBPBESRZSA-N -1 3 372.328 4.253 20 0 FIADHM CCN(CC)[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccsc1 ZINC000184260130 1085873432 /nfs/dbraw/zinc/87/34/32/1085873432.db2.gz YLGVUQBDBCSZSS-OAHLLOKOSA-N -1 3 370.877 4.059 20 0 FIADHM COc1ccccc1N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000613851651 1085912083 /nfs/dbraw/zinc/91/20/83/1085912083.db2.gz HSZOVVLVGSGCBY-UHFFFAOYSA-N -1 3 367.430 4.302 20 0 FIADHM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc([O-])ccc1Cl ZINC000431509793 1085965278 /nfs/dbraw/zinc/96/52/78/1085965278.db2.gz DVKUPKDYOAYNGF-UHFFFAOYSA-N -1 3 373.758 4.055 20 0 FIADHM COc1ccc(CCC2CCN(Cc3cc(C(=O)[O-])oc3C)CC2)cc1 ZINC000652383506 1085980295 /nfs/dbraw/zinc/98/02/95/1085980295.db2.gz XGYFSSPMACQSCF-UHFFFAOYSA-N -1 3 357.450 4.140 20 0 FIADHM O=C([O-])c1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000652386962 1085983550 /nfs/dbraw/zinc/98/35/50/1085983550.db2.gz VEHMGBWHQRVZLH-OAHLLOKOSA-N -1 3 354.381 4.045 20 0 FIADHM O=C([O-])CCCCCN1CCC(c2ccccc2Br)CC1 ZINC000652437642 1086046092 /nfs/dbraw/zinc/04/60/92/1086046092.db2.gz ZQKGSBNCGIJIBL-UHFFFAOYSA-N -1 3 354.288 4.274 20 0 FIADHM Cc1c2cccc(C)c2oc1CN(C)CCOc1cccc(C(=O)[O-])c1 ZINC000652510932 1086141131 /nfs/dbraw/zinc/14/11/31/1086141131.db2.gz MOBIDFPOLREBRQ-UHFFFAOYSA-N -1 3 353.418 4.259 20 0 FIADHM COc1ccc([C@@H](NCc2cccc(-c3ccccc3)c2)C(=O)[O-])cc1F ZINC000426777793 1086282517 /nfs/dbraw/zinc/28/25/17/1086282517.db2.gz QQXUZYCKEXGXNO-OAQYLSRUSA-N -1 3 365.404 4.417 20 0 FIADHM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000583150747 1086297688 /nfs/dbraw/zinc/29/76/88/1086297688.db2.gz SWDYEFIBSQUNFB-UHFFFAOYSA-N -1 3 363.417 4.200 20 0 FIADHM Cc1c2cc(Cl)ccc2sc1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583152829 1086308853 /nfs/dbraw/zinc/30/88/53/1086308853.db2.gz CMYOLECJFRNFNS-UHFFFAOYSA-N -1 3 373.865 4.166 20 0 FIADHM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc2C)n1 ZINC000150799726 1086330911 /nfs/dbraw/zinc/33/09/11/1086330911.db2.gz ZOTOISOPCGPPCX-UHFFFAOYSA-N -1 3 368.458 4.248 20 0 FIADHM C[C@@H](c1ccccc1Br)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC001137724871 1086362181 /nfs/dbraw/zinc/36/21/81/1086362181.db2.gz NEAZRUBEBRIWEL-NSHDSACASA-N -1 3 366.230 4.056 20 0 FIADHM CC1(C)C[C@@]1(NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000662342589 1086415670 /nfs/dbraw/zinc/41/56/70/1086415670.db2.gz DMCGVDCEFRAEOQ-JOCHJYFZSA-N -1 3 359.429 4.497 20 0 FIADHM CC(C)Sc1ccc([C@@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000728853806 1086424347 /nfs/dbraw/zinc/42/43/47/1086424347.db2.gz DBVWQGCZBOIBBY-ONDHQXCVSA-N -1 3 366.486 4.149 20 0 FIADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@H]1CCC2(CCCCC2)O1 ZINC000583387084 1086636955 /nfs/dbraw/zinc/63/69/55/1086636955.db2.gz YBBXDMWNHFFOJZ-MRXNPFEDSA-N -1 3 367.436 4.123 20 0 FIADHM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000583387083 1086637113 /nfs/dbraw/zinc/63/71/13/1086637113.db2.gz YBBXDMWNHFFOJZ-INIZCTEOSA-N -1 3 367.436 4.123 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000161697255 1086666238 /nfs/dbraw/zinc/66/62/38/1086666238.db2.gz UAEGZJFBFNSYDJ-MRXNPFEDSA-N -1 3 366.339 4.351 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000161697255 1086666240 /nfs/dbraw/zinc/66/62/40/1086666240.db2.gz UAEGZJFBFNSYDJ-MRXNPFEDSA-N -1 3 366.339 4.351 20 0 FIADHM O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cc([O-])ccc1Cl ZINC000583514657 1086759727 /nfs/dbraw/zinc/75/97/27/1086759727.db2.gz KFNLUBXKEKSGKZ-GFCCVEGCSA-N -1 3 358.608 4.216 20 0 FIADHM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)NCc1ccc([O-])c(F)c1 ZINC000432485681 1086838722 /nfs/dbraw/zinc/83/87/22/1086838722.db2.gz NIEAFTDQVQQUQE-AWEZNQCLSA-N -1 3 370.346 4.067 20 0 FIADHM CCO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001211702113 1086877381 /nfs/dbraw/zinc/87/73/81/1086877381.db2.gz GMYVLOVVDVTHMI-CQSZACIVSA-N -1 3 374.289 4.050 20 0 FIADHM Cc1ccsc1CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000007674444 1086900328 /nfs/dbraw/zinc/90/03/28/1086900328.db2.gz YHDKGCWYWMLTOE-UHFFFAOYSA-N -1 3 371.487 4.247 20 0 FIADHM CCCN(C(=O)c1cccc(CC)c1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000548807532 1086937420 /nfs/dbraw/zinc/93/74/20/1086937420.db2.gz UDSZTHRUMLAZTC-INIZCTEOSA-N -1 3 368.477 4.224 20 0 FIADHM O=C([O-])c1ccc(Br)cc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000583940234 1087052284 /nfs/dbraw/zinc/05/22/84/1087052284.db2.gz WCLGEGSVKLSYTH-GOSISDBHSA-N -1 3 364.283 4.470 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)Nc1ccc(Br)cc1Cl ZINC000151539074 1087132597 /nfs/dbraw/zinc/13/25/97/1087132597.db2.gz NIBGGHDDPRRJHA-UHFFFAOYSA-N -1 3 373.609 4.269 20 0 FIADHM O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccccc1[O-] ZINC000030016781 1087151946 /nfs/dbraw/zinc/15/19/46/1087151946.db2.gz YEZAGRFUCFVPGR-IUCAKERBSA-N -1 3 355.278 4.032 20 0 FIADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2nc(C3CCCCC3)cs2)C1 ZINC000584118894 1087181774 /nfs/dbraw/zinc/18/17/74/1087181774.db2.gz PHRFBBXLJXNXKW-NRFANRHFSA-N -1 3 370.518 4.419 20 0 FIADHM COc1cc(Cl)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1C ZINC000584194200 1087212762 /nfs/dbraw/zinc/21/27/62/1087212762.db2.gz XRVQWMXEHNIHFS-UHFFFAOYSA-N -1 3 368.817 4.078 20 0 FIADHM COCC[C@@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000088305945 1087374651 /nfs/dbraw/zinc/37/46/51/1087374651.db2.gz LPDHPIOHYYWZPG-MNOVXSKESA-N -1 3 364.492 4.464 20 0 FIADHM CC(C)COC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000171265204 1087521207 /nfs/dbraw/zinc/52/12/07/1087521207.db2.gz RJFOAMDQECECNF-UHFFFAOYSA-N -1 3 367.489 4.260 20 0 FIADHM O=C(c1ccc([O-])cc1)C1CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000685408586 1087561824 /nfs/dbraw/zinc/56/18/24/1087561824.db2.gz RRURHKFOIZMJSU-OWOJBTEDSA-N -1 3 357.400 4.279 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000685604525 1087640331 /nfs/dbraw/zinc/64/03/31/1087640331.db2.gz CGJRWNBTYVBSML-GFCCVEGCSA-N -1 3 356.809 4.207 20 0 FIADHM CCCOc1c(Cl)cc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1OCC ZINC000424420480 1087972890 /nfs/dbraw/zinc/97/28/90/1087972890.db2.gz QPQKZDANCMHXIC-SUMWQHHRSA-N -1 3 369.889 4.213 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C/C=C/c3ccc(C)cc3)c2)n1 ZINC000176556109 1088007570 /nfs/dbraw/zinc/00/75/70/1088007570.db2.gz GDIYFPLJDMLENF-GQCTYLIASA-N -1 3 373.456 4.350 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3cccc4n[n-]nc43)sc2C)s1 ZINC000187772533 1088309952 /nfs/dbraw/zinc/30/99/52/1088309952.db2.gz JWGYLPSNVOPQBV-UHFFFAOYSA-N -1 3 355.448 4.012 20 0 FIADHM [O-]C(=Cc1nc(-c2cc(F)cc(F)c2F)no1)c1ccccc1Cl ZINC001211647095 1088756028 /nfs/dbraw/zinc/75/60/28/1088756028.db2.gz HKKSKYDTPVGXMJ-UHFFFAOYSA-N -1 3 352.699 4.233 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(OC3CC3)cc2)no1)c1ccccc1Cl ZINC001211647384 1088765982 /nfs/dbraw/zinc/76/59/82/1088765982.db2.gz MSMCENOOMZNOMY-UHFFFAOYSA-N -1 3 354.793 4.357 20 0 FIADHM CCCN(C(=O)c1cc(SC)ccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000613626628 1088979391 /nfs/dbraw/zinc/97/93/91/1088979391.db2.gz LOLTUJYZERQAKN-QGZVFWFLSA-N -1 3 356.491 4.439 20 0 FIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC(C)(C)CC(F)F)c2)n1 ZINC000892737032 1088985758 /nfs/dbraw/zinc/98/57/58/1088985758.db2.gz VLHRZTGRISIIDV-UHFFFAOYSA-N -1 3 350.365 4.135 20 0 FIADHM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000580295512 1089183075 /nfs/dbraw/zinc/18/30/75/1089183075.db2.gz AAAYBFZAFUWNJX-MAUKXSAKSA-N -1 3 354.431 4.003 20 0 FIADHM CC(C)C(=O)c1ccc([C@H](C)C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1 ZINC000549239827 1089336557 /nfs/dbraw/zinc/33/65/57/1089336557.db2.gz GSWJLZZETAWYAO-HNNXBMFYSA-N -1 3 361.445 4.080 20 0 FIADHM CCCCCc1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000460460422 1089437027 /nfs/dbraw/zinc/43/70/27/1089437027.db2.gz PSDDDYVEFTXCHP-UHFFFAOYSA-N -1 3 374.506 4.203 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000590263557 1089574207 /nfs/dbraw/zinc/57/42/07/1089574207.db2.gz ZORWMHIAHJPJQV-UHFFFAOYSA-N -1 3 365.373 4.367 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000515078282 1089757553 /nfs/dbraw/zinc/75/75/53/1089757553.db2.gz LXFGBKXTOTXFFW-UHFFFAOYSA-N -1 3 360.129 4.426 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cncc(C(F)(F)F)c1 ZINC000515093177 1089775774 /nfs/dbraw/zinc/77/57/74/1089775774.db2.gz DTBPSIVIPRRANQ-UHFFFAOYSA-N -1 3 350.218 4.077 20 0 FIADHM Cc1nc(CC(C)C)c(C(=O)[N-]c2nc(-c3cccs3)ns2)s1 ZINC000182133200 1090046823 /nfs/dbraw/zinc/04/68/23/1090046823.db2.gz IARXWHONZGFRFO-UHFFFAOYSA-N -1 3 364.521 4.482 20 0 FIADHM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1cc([O-])c2ccccc2c1 ZINC000519789125 1090247688 /nfs/dbraw/zinc/24/76/88/1090247688.db2.gz HFKDFYCCRNEOHG-GOSISDBHSA-N -1 3 355.821 4.052 20 0 FIADHM O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc([O-])ccc1Cl ZINC000431924174 1090682470 /nfs/dbraw/zinc/68/24/70/1090682470.db2.gz PBOGCJVVOFXVBJ-UHFFFAOYSA-N -1 3 372.783 4.302 20 0 FIADHM C[C@H](CCC[C@H](C)NCc1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000417540625 1090921541 /nfs/dbraw/zinc/92/15/41/1090921541.db2.gz XEBCRWUGWAQMAL-MNOVXSKESA-N -1 3 351.340 4.093 20 0 FIADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1c(F)cccc1OC(F)(F)F ZINC000417540624 1090921795 /nfs/dbraw/zinc/92/17/95/1090921795.db2.gz XEBCRWUGWAQMAL-GHMZBOCLSA-N -1 3 351.340 4.093 20 0 FIADHM CC(C)(C)c1cnc(CNCCC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000417556105 1090924418 /nfs/dbraw/zinc/92/44/18/1090924418.db2.gz NIHRKONKELAOMY-MRXNPFEDSA-N -1 3 360.523 4.254 20 0 FIADHM Cc1cc(Br)c(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417556963 1090924616 /nfs/dbraw/zinc/92/46/16/1090924616.db2.gz AITCXSCCVNWCNT-XHDPSFHLSA-N -1 3 368.296 4.371 20 0 FIADHM CC(C)c1cnc(CN[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])s1 ZINC000417618448 1090940829 /nfs/dbraw/zinc/94/08/29/1090940829.db2.gz JKBQSRXVJAWYPM-ZDUSSCGKSA-N -1 3 373.305 4.359 20 0 FIADHM COc1cc(-c2ccccc2)ccc1CNC[C@H](CC(=O)[O-])C(F)(F)F ZINC000417627205 1090948830 /nfs/dbraw/zinc/94/88/30/1090948830.db2.gz OBEOCFWLBXCCQM-INIZCTEOSA-N -1 3 367.367 4.105 20 0 FIADHM Cc1ccc(C[C@@H](NCc2cc(Cl)sc2Cl)C(=O)[O-])cc1C ZINC000417647042 1090949442 /nfs/dbraw/zinc/94/94/42/1090949442.db2.gz DTIFAPGKGNHZIQ-CYBMUJFWSA-N -1 3 358.290 4.457 20 0 FIADHM COc1cccc(C[C@@H](CNCc2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000417649993 1090949898 /nfs/dbraw/zinc/94/98/98/1090949898.db2.gz MMSUZCWASWKFJG-ZDUSSCGKSA-N -1 3 368.260 4.035 20 0 FIADHM O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(Cl)cc1[O-] ZINC000004945261 1091345119 /nfs/dbraw/zinc/34/51/19/1091345119.db2.gz COTZDMOTCFNNII-UHFFFAOYSA-N -1 3 369.730 4.053 20 0 FIADHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195302680 1091487917 /nfs/dbraw/zinc/48/79/17/1091487917.db2.gz RMUHHDXJWSTLJG-NSHDSACASA-N -1 3 358.310 4.378 20 0 FIADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000511690087 1091544310 /nfs/dbraw/zinc/54/43/10/1091544310.db2.gz ZBCFULQCYKZWCT-GFCCVEGCSA-N -1 3 369.870 4.327 20 0 FIADHM O=c1[n-]c(CN2CCc3cc(Cl)ccc32)nc2c3ccccc3oc21 ZINC000511837790 1091771650 /nfs/dbraw/zinc/77/16/50/1091771650.db2.gz JFPOKZNEGUPJDC-UHFFFAOYSA-N -1 3 351.793 4.298 20 0 FIADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000326817955 1091773184 /nfs/dbraw/zinc/77/31/84/1091773184.db2.gz HHHMRMWFPAABHC-AWEZNQCLSA-N -1 3 362.857 4.318 20 0 FIADHM C[C@@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000512273551 1091996994 /nfs/dbraw/zinc/99/69/94/1091996994.db2.gz CNZRXZNVBZNVNL-LBPRGKRZSA-N -1 3 374.366 4.045 20 0 FIADHM O=c1ccnc(C(=Cc2cccc(OC(F)(F)F)c2)Cc2ccccc2)[n-]1 ZINC000432692872 1092108519 /nfs/dbraw/zinc/10/85/19/1092108519.db2.gz GJPUXMIEMWVNEU-FOWTUZBSSA-N -1 3 372.346 4.452 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc(-c3ccccc3)s2)[nH][n-]1 ZINC000512353201 1092121166 /nfs/dbraw/zinc/12/11/66/1092121166.db2.gz OXRYEMSCRHCGGZ-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM COC[C@@H](C)Nc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000437619691 1092160737 /nfs/dbraw/zinc/16/07/37/1092160737.db2.gz WNJVEXWKBMPLNS-CQSZACIVSA-N -1 3 350.418 4.245 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc(C)cc2C)[nH][n-]1 ZINC000521030116 1092435742 /nfs/dbraw/zinc/43/57/42/1092435742.db2.gz MNWPTNLBFXNXIW-UHFFFAOYSA-N -1 3 355.825 4.030 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000500732675 1092456457 /nfs/dbraw/zinc/45/64/57/1092456457.db2.gz OLIZMUROBJDWTI-HNNXBMFYSA-N -1 3 372.896 4.127 20 0 FIADHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000500787719 1092568175 /nfs/dbraw/zinc/56/81/75/1092568175.db2.gz OMTLDIZHXUIYFM-UHFFFAOYSA-N -1 3 374.893 4.356 20 0 FIADHM CCOCC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000442634942 1092696099 /nfs/dbraw/zinc/69/60/99/1092696099.db2.gz IBSPLWFXFXWUGM-UHFFFAOYSA-N -1 3 368.458 4.424 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)sc1Cl ZINC001211736786 1092932564 /nfs/dbraw/zinc/93/25/64/1092932564.db2.gz HLHAHUUEGFFLJU-JSGCOSHPSA-N -1 3 373.902 4.464 20 0 FIADHM CC(C)NC(=O)Nc1cccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000614111287 1092937888 /nfs/dbraw/zinc/93/78/88/1092937888.db2.gz LFOPKWNVYPYCCH-UHFFFAOYSA-N -1 3 356.813 4.186 20 0 FIADHM O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1cc([O-])ccc1Cl ZINC000550524445 1093289556 /nfs/dbraw/zinc/28/95/56/1093289556.db2.gz DIKJVUINMUIUGU-GOSISDBHSA-N -1 3 367.836 4.420 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H]3CCCC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000509898716 1093694424 /nfs/dbraw/zinc/69/44/24/1093694424.db2.gz MKCPXBPSKKLDAV-FZKQIMNGSA-N -1 3 354.454 4.200 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cc2cccc(F)c2o1 ZINC000474381944 1093726580 /nfs/dbraw/zinc/72/65/80/1093726580.db2.gz OIXDMHIUSUDHFB-QMMMGPOBSA-N -1 3 373.327 4.029 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H]3c3ccccc3)cc2)cc(=O)[n-]1 ZINC000509901267 1093787764 /nfs/dbraw/zinc/78/77/64/1093787764.db2.gz UTONAFDHCMZBIL-LJQANCHMSA-N -1 3 360.417 4.137 20 0 FIADHM O=c1[n-]c(CN2CCC[C@@H]2c2ccsc2)nc2c3ccccc3oc21 ZINC000052803522 1093956585 /nfs/dbraw/zinc/95/65/85/1093956585.db2.gz YCJNUBIWAWETDO-CQSZACIVSA-N -1 3 351.431 4.068 20 0 FIADHM CCOc1cc(CNc2ccc(C)cc2OCCOC)cc(Cl)c1[O-] ZINC000513287995 1094046889 /nfs/dbraw/zinc/04/68/89/1094046889.db2.gz YDJHEMQTHBXLPL-UHFFFAOYSA-N -1 3 365.857 4.390 20 0 FIADHM [O-]c1ccc(F)c(CNCc2nc(-c3ccccc3F)cs2)c1F ZINC000513309274 1094053800 /nfs/dbraw/zinc/05/38/00/1094053800.db2.gz ZQUBUMFJGBAHOY-UHFFFAOYSA-N -1 3 350.365 4.223 20 0 FIADHM CCC(C)(C)NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210267 1094314818 /nfs/dbraw/zinc/31/48/18/1094314818.db2.gz OZOAXTBATUZTSB-SNVBAGLBSA-N -1 3 368.503 4.206 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c([O-])c1C ZINC000116452875 1094514253 /nfs/dbraw/zinc/51/42/53/1094514253.db2.gz XRRSIHLSYAQIBT-VWLOTQADSA-N -1 3 359.491 4.309 20 0 FIADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1c[n-]c2ccccc2c1=O ZINC000042024878 1094702238 /nfs/dbraw/zinc/70/22/38/1094702238.db2.gz ZVQGUHGSDFHVSO-MRXNPFEDSA-N -1 3 370.861 4.148 20 0 FIADHM COc1cc(C(=O)N[C@H](C)c2cc3ccccc3s2)cc(OC)c1[O-] ZINC000179235313 1094765566 /nfs/dbraw/zinc/76/55/66/1094765566.db2.gz FSQRWVWYJDAWDG-LLVKDONJSA-N -1 3 357.431 4.115 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c(C)c1 ZINC000501801194 1094932147 /nfs/dbraw/zinc/93/21/47/1094932147.db2.gz VPFCZQXJMJFXKI-UHFFFAOYSA-N -1 3 374.487 4.318 20 0 FIADHM COc1cccc(-c2nc(C3(c4cc(Cl)ccc4OC)CC3)no2)c1[O-] ZINC000420512380 1094961041 /nfs/dbraw/zinc/96/10/41/1094961041.db2.gz HBPYFZHYLGWJGS-UHFFFAOYSA-N -1 3 372.808 4.193 20 0 FIADHM CCc1cc2c(CNc3ccc(OC)c(Cl)c3)cc(=O)oc2cc1[O-] ZINC000007389797 1095048724 /nfs/dbraw/zinc/04/87/24/1095048724.db2.gz JKIULHFVNKWRTO-UHFFFAOYSA-N -1 3 359.809 4.335 20 0 FIADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1sc2ccccc2c1Cl ZINC000054236664 1095205230 /nfs/dbraw/zinc/20/52/30/1095205230.db2.gz GFEHDMRYUQSCOV-UHFFFAOYSA-N -1 3 368.849 4.447 20 0 FIADHM CSc1nc(NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)n[n-]1 ZINC000522669880 1095268428 /nfs/dbraw/zinc/26/84/28/1095268428.db2.gz OUIKWJBKMPWWJV-UHFFFAOYSA-N -1 3 360.389 4.033 20 0 FIADHM CCCCc1nc(NC(=O)c2ccc(F)c3occc32)c(C(=O)OCC)[n-]1 ZINC001269128435 1095591491 /nfs/dbraw/zinc/59/14/91/1095591491.db2.gz MNIVCCQQBASNFV-UHFFFAOYSA-N -1 3 373.384 4.067 20 0 FIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000273774246 1096293935 /nfs/dbraw/zinc/29/39/35/1096293935.db2.gz ZYYMIYVKTVPXSZ-UHFFFAOYSA-N -1 3 368.462 4.290 20 0 FIADHM Cc1csc2ncnc(NCc3ccc([O-])c(Br)c3)c12 ZINC000505727494 1098570133 /nfs/dbraw/zinc/57/01/33/1098570133.db2.gz QPHFRZJBEKLDPB-UHFFFAOYSA-N -1 3 350.241 4.080 20 0 FIADHM Cc1ccc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c([O-])c1C ZINC000515544082 1098684060 /nfs/dbraw/zinc/68/40/60/1098684060.db2.gz IHZIPBTXYWHRJG-UHFFFAOYSA-N -1 3 359.495 4.094 20 0 FIADHM CSc1c(F)cccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000436145820 1098770291 /nfs/dbraw/zinc/77/02/91/1098770291.db2.gz JPEFQSZHRYKTNN-UHFFFAOYSA-N -1 3 356.216 4.268 20 0 FIADHM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1ccc(Cl)cc1[O-] ZINC000533159468 1098813584 /nfs/dbraw/zinc/81/35/84/1098813584.db2.gz COYLFVZTWJKIFA-UHFFFAOYSA-N -1 3 370.623 4.181 20 0 FIADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1 ZINC000436478131 1099040975 /nfs/dbraw/zinc/04/09/75/1099040975.db2.gz OYZMAKKFPZOBME-UHFFFAOYSA-N -1 3 367.430 4.021 20 0 FIADHM CCC(CC)[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000436521539 1099078206 /nfs/dbraw/zinc/07/82/06/1099078206.db2.gz FRDQJLDDJIFLRE-LJQANCHMSA-N -1 3 357.450 4.317 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c([O-])c1C ZINC000436526152 1099083183 /nfs/dbraw/zinc/08/31/83/1099083183.db2.gz DWLQOTYDGDQLLX-UHFFFAOYSA-N -1 3 355.434 4.067 20 0 FIADHM COc1cccc(C2=CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC000436536287 1099086372 /nfs/dbraw/zinc/08/63/72/1099086372.db2.gz ATGTWODMMVLTTO-UHFFFAOYSA-N -1 3 351.446 4.454 20 0 FIADHM C[S@](=O)c1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC000436552218 1099099095 /nfs/dbraw/zinc/09/90/95/1099099095.db2.gz BHEHXGRYCDASSW-SANMLTNESA-N -1 3 367.426 4.174 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c([O-])c1 ZINC000436539310 1099105684 /nfs/dbraw/zinc/10/56/84/1099105684.db2.gz NMPKJSNHXLINTK-INIZCTEOSA-N -1 3 366.461 4.276 20 0 FIADHM COc1ccc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c([O-])c1 ZINC000436571388 1099122039 /nfs/dbraw/zinc/12/20/39/1099122039.db2.gz VOVNJPZFIAAKCV-UHFFFAOYSA-N -1 3 361.388 4.264 20 0 FIADHM C[C@H]1CCSCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436594976 1099124820 /nfs/dbraw/zinc/12/48/20/1099124820.db2.gz JRVBYMGJPQEZLS-INIZCTEOSA-N -1 3 355.503 4.145 20 0 FIADHM O=C(Nc1c[nH]nc1-c1ccccn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436595099 1099127593 /nfs/dbraw/zinc/12/75/93/1099127593.db2.gz KYTHLBBXUZSRRR-UHFFFAOYSA-N -1 3 372.384 4.222 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)cc1[O-] ZINC000436598627 1099128704 /nfs/dbraw/zinc/12/87/04/1099128704.db2.gz BKLXNQFUDPXTBX-HNNXBMFYSA-N -1 3 369.461 4.133 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)cc1[O-] ZINC000436598628 1099128948 /nfs/dbraw/zinc/12/89/48/1099128948.db2.gz BKLXNQFUDPXTBX-OAHLLOKOSA-N -1 3 369.461 4.133 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(OCC2CC2)CC1 ZINC000436579202 1099130016 /nfs/dbraw/zinc/13/00/16/1099130016.db2.gz YGCCAVCBUCMJGI-UHFFFAOYSA-N -1 3 367.445 4.216 20 0 FIADHM Cc1nc2ccccc2n1CCc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436588442 1099135132 /nfs/dbraw/zinc/13/51/32/1099135132.db2.gz TWMKOSJMFYCKTA-UHFFFAOYSA-N -1 3 370.412 4.496 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000533521077 1099140806 /nfs/dbraw/zinc/14/08/06/1099140806.db2.gz UHEKZTBELMNENV-IAGOWNOFSA-N -1 3 367.445 4.073 20 0 FIADHM Cc1ncoc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436612252 1099145770 /nfs/dbraw/zinc/14/57/70/1099145770.db2.gz WYIKUFSKTYHEBA-UHFFFAOYSA-N -1 3 351.387 4.218 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000436641563 1099182991 /nfs/dbraw/zinc/18/29/91/1099182991.db2.gz OHBZUEXJCYHJDX-UHFFFAOYSA-N -1 3 366.244 4.424 20 0 FIADHM Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000533618537 1099215107 /nfs/dbraw/zinc/21/51/07/1099215107.db2.gz QXWAOURVRWFNBX-UHFFFAOYSA-N -1 3 361.854 4.091 20 0 FIADHM CC1(C)Cc2ccc(C(=O)Nc3cccc(-c4cnco4)c3)c([O-])c2O1 ZINC000436682999 1099216329 /nfs/dbraw/zinc/21/63/29/1099216329.db2.gz SGDDOWHAGQGBEX-UHFFFAOYSA-N -1 3 350.374 4.013 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCCN(c3ccccc3F)CC2)c([O-])c1 ZINC000436697149 1099230132 /nfs/dbraw/zinc/23/01/32/1099230132.db2.gz IULHWDCLGOZIMU-UHFFFAOYSA-N -1 3 356.441 4.007 20 0 FIADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436711496 1099243648 /nfs/dbraw/zinc/24/36/48/1099243648.db2.gz IPUAHCBGCMHLNQ-JTQLQIEISA-N -1 3 372.421 4.160 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1[O-] ZINC000436710782 1099244142 /nfs/dbraw/zinc/24/41/42/1099244142.db2.gz YUAZNGWDDUXXFJ-UHFFFAOYSA-N -1 3 357.413 4.351 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000436781302 1099313228 /nfs/dbraw/zinc/31/32/28/1099313228.db2.gz BNNWWKVTMGYEBZ-UHFFFAOYSA-N -1 3 366.244 4.424 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1 ZINC000436786505 1099319738 /nfs/dbraw/zinc/31/97/38/1099319738.db2.gz JIXVFSWYDIWZQR-QVKFZJNVSA-N -1 3 366.461 4.272 20 0 FIADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436788310 1099320572 /nfs/dbraw/zinc/32/05/72/1099320572.db2.gz XAJCESCDZHIESO-AZUAARDMSA-N -1 3 366.461 4.149 20 0 FIADHM COC[C@H]1CCCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436816776 1099328492 /nfs/dbraw/zinc/32/84/92/1099328492.db2.gz PLRQMSCAADJCRV-FQEVSTJZSA-N -1 3 367.489 4.066 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c([O-])c1 ZINC000436802542 1099333388 /nfs/dbraw/zinc/33/33/88/1099333388.db2.gz DCSHLXSCLNVKSH-UHFFFAOYSA-N -1 3 352.356 4.292 20 0 FIADHM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000436831867 1099342278 /nfs/dbraw/zinc/34/22/78/1099342278.db2.gz UIXGVGOBTQXUBG-UHFFFAOYSA-N -1 3 359.853 4.335 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000436821911 1099349645 /nfs/dbraw/zinc/34/96/45/1099349645.db2.gz QXZVTKDKTPPWEC-LJQANCHMSA-N -1 3 367.445 4.216 20 0 FIADHM CCCCOc1ccc(C(=O)N(C)Cc2cccc3[nH]ccc32)c([O-])c1 ZINC000436820663 1099349673 /nfs/dbraw/zinc/34/96/73/1099349673.db2.gz IHNOFUBTGGGECU-UHFFFAOYSA-N -1 3 352.434 4.325 20 0 FIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1Cl ZINC000105589518 1099353106 /nfs/dbraw/zinc/35/31/06/1099353106.db2.gz QNVUUBSXZGDULR-UHFFFAOYSA-N -1 3 368.188 4.081 20 0 FIADHM CCc1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c([O-])c1 ZINC000436840618 1099360809 /nfs/dbraw/zinc/36/08/09/1099360809.db2.gz PYUAANWJWSMZDM-UHFFFAOYSA-N -1 3 350.422 4.057 20 0 FIADHM CCc1ccc(-c2nc(-c3cccc(NC(=O)NC(C)C)c3)no2)c([O-])c1 ZINC000436849138 1099367053 /nfs/dbraw/zinc/36/70/53/1099367053.db2.gz DFJJEUFVFUJELX-UHFFFAOYSA-N -1 3 366.421 4.202 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1[O-] ZINC000436864089 1099374011 /nfs/dbraw/zinc/37/40/11/1099374011.db2.gz XSKHSUFLQMHZDH-UHFFFAOYSA-N -1 3 358.444 4.341 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000436865326 1099375411 /nfs/dbraw/zinc/37/54/11/1099375411.db2.gz RIEIHNSHTMIDEV-INIZCTEOSA-N -1 3 365.351 4.484 20 0 FIADHM Cn1nc(Br)c2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001212011185 1099376777 /nfs/dbraw/zinc/37/67/77/1099376777.db2.gz WTZPBMBQZAUIRF-UHFFFAOYSA-N -1 3 354.154 4.063 20 0 FIADHM Cc1cc(C(=O)NCc2ccco2)ccc1Nc1ccc([O-])c(F)c1F ZINC001212014095 1099378541 /nfs/dbraw/zinc/37/85/41/1099378541.db2.gz ZHZJAWAVXPJEET-UHFFFAOYSA-N -1 3 358.344 4.245 20 0 FIADHM CO[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000436880123 1099395371 /nfs/dbraw/zinc/39/53/71/1099395371.db2.gz IWKAFUTVWNMMPT-KRWDZBQOSA-N -1 3 354.431 4.032 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 ZINC000436888287 1099403781 /nfs/dbraw/zinc/40/37/81/1099403781.db2.gz MXBFLSZTUSUGAB-UHFFFAOYSA-N -1 3 352.268 4.016 20 0 FIADHM CO[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C(C)C ZINC000436906034 1099415023 /nfs/dbraw/zinc/41/50/23/1099415023.db2.gz AGJHCKJSTWGORU-QGZVFWFLSA-N -1 3 356.447 4.278 20 0 FIADHM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3ccccc3[O-])s2)cc1 ZINC000436901403 1099428507 /nfs/dbraw/zinc/42/85/07/1099428507.db2.gz HBJDXEKFZITMAP-LBPRGKRZSA-N -1 3 368.458 4.324 20 0 FIADHM COc1ccc([O-])c(-c2nc(CCCOc3cccc(C)c3C)no2)c1 ZINC000436924471 1099439615 /nfs/dbraw/zinc/43/96/15/1099439615.db2.gz FTVUFUZPQRUIOJ-UHFFFAOYSA-N -1 3 354.406 4.079 20 0 FIADHM COCCOc1ccc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000436949596 1099444816 /nfs/dbraw/zinc/44/48/16/1099444816.db2.gz LIMCNMNEKOMDMW-UHFFFAOYSA-N -1 3 368.433 4.182 20 0 FIADHM O=C(Nc1cccc2[nH]c(=O)oc21)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436935227 1099447632 /nfs/dbraw/zinc/44/76/32/1099447632.db2.gz OCYLORNSWKTJCB-UHFFFAOYSA-N -1 3 360.369 4.082 20 0 FIADHM CN(C)Cc1cc(-c2noc(-c3ccc4ccccc4c3[O-])n2)ccc1F ZINC000436937186 1099449735 /nfs/dbraw/zinc/44/97/35/1099449735.db2.gz DSHWGFDGSWJXLN-UHFFFAOYSA-N -1 3 363.392 4.463 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1)Cc1ccccc1F ZINC000436938243 1099450625 /nfs/dbraw/zinc/45/06/25/1099450625.db2.gz IUMXOTOYRDGONA-UHFFFAOYSA-N -1 3 351.377 4.080 20 0 FIADHM C[C@H](CNC(=O)c1ccccc1)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436947956 1099458138 /nfs/dbraw/zinc/45/81/38/1099458138.db2.gz MWHXOFGZMNZUHO-CQSZACIVSA-N -1 3 373.412 4.129 20 0 FIADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000436950668 1099467452 /nfs/dbraw/zinc/46/74/52/1099467452.db2.gz PXRCHFBFYZYODM-UHFFFAOYSA-N -1 3 352.434 4.180 20 0 FIADHM Cc1ccc(-c2nc(-c3ccc(C(=O)N4CCC[C@H]4C)cc3)no2)c([O-])c1 ZINC000436952610 1099470084 /nfs/dbraw/zinc/47/00/84/1099470084.db2.gz XGZBRKBXLGKPOL-CQSZACIVSA-N -1 3 363.417 4.042 20 0 FIADHM CCn1c2cc(F)ccc2nc1-c1cc(Br)c([O-])c(OC)c1 ZINC000436980387 1099486220 /nfs/dbraw/zinc/48/62/20/1099486220.db2.gz NDQMQWLVMRMNMX-UHFFFAOYSA-N -1 3 365.202 4.339 20 0 FIADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000436982450 1099490407 /nfs/dbraw/zinc/49/04/07/1099490407.db2.gz XJGZXJQNJMRMNV-IIBYNOLFSA-N -1 3 369.461 4.173 20 0 FIADHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436984397 1099491728 /nfs/dbraw/zinc/49/17/28/1099491728.db2.gz AWQMMLQSTNLSFI-DYVFJYSZSA-N -1 3 363.379 4.396 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(c3ccc(C)nc3)CC2)c([O-])c1 ZINC000436987563 1099493761 /nfs/dbraw/zinc/49/37/61/1099493761.db2.gz MRPAPZOQMDRSJE-UHFFFAOYSA-N -1 3 368.477 4.294 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cc(C)ccc4[nH]3)c2)n1 ZINC000516506851 1099539123 /nfs/dbraw/zinc/53/91/23/1099539123.db2.gz MWOXQPRGXCXXCX-UHFFFAOYSA-N -1 3 372.428 4.454 20 0 FIADHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001212093894 1099590447 /nfs/dbraw/zinc/59/04/47/1099590447.db2.gz ODJRBWINXUEJCZ-XJKSGUPXSA-N -1 3 370.927 4.176 20 0 FIADHM CCCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000262698973 1099731631 /nfs/dbraw/zinc/73/16/31/1099731631.db2.gz JHDXYWNLKYMNKI-QGZVFWFLSA-N -1 3 363.841 4.053 20 0 FIADHM CCCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000262698972 1099732365 /nfs/dbraw/zinc/73/23/65/1099732365.db2.gz JHDXYWNLKYMNKI-KRWDZBQOSA-N -1 3 363.841 4.053 20 0 FIADHM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000516700782 1099733580 /nfs/dbraw/zinc/73/35/80/1099733580.db2.gz YFEBKSFNDXZLCE-LLVKDONJSA-N -1 3 351.374 4.059 20 0 FIADHM CC(C)(C[N-]C(=O)C(F)(F)c1ccccc1F)Oc1cc(F)cc(F)c1 ZINC001272141577 1099754103 /nfs/dbraw/zinc/75/41/03/1099754103.db2.gz ZIZVHOHXXPYUPH-UHFFFAOYSA-N -1 3 373.321 4.170 20 0 FIADHM CCCOc1c(Cl)cc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1OCC ZINC000263040856 1099757839 /nfs/dbraw/zinc/75/78/39/1099757839.db2.gz ITOHLXUIHLMVPC-ZFWWWQNUSA-N -1 3 369.889 4.070 20 0 FIADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)ccc1Cl ZINC000437288988 1099771659 /nfs/dbraw/zinc/77/16/59/1099771659.db2.gz OAEMJZXJBUEXBI-VHSXEESVSA-N -1 3 373.799 4.126 20 0 FIADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000437487317 1099949948 /nfs/dbraw/zinc/94/99/48/1099949948.db2.gz ZBJVOQNRHULQJW-LIRRHRJNSA-N -1 3 364.445 4.297 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nc(C)cs1 ZINC000517084790 1100044983 /nfs/dbraw/zinc/04/49/83/1100044983.db2.gz PAQDLFPKHFXZSC-GFCCVEGCSA-N -1 3 365.307 4.188 20 0 FIADHM [O-]c1ccc(F)c(CNc2cccc(-c3ncc4n3CCCC4)c2)c1F ZINC000517191161 1100164506 /nfs/dbraw/zinc/16/45/06/1100164506.db2.gz VCRXBSLZGNVDMS-UHFFFAOYSA-N -1 3 355.388 4.482 20 0 FIADHM Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1cccc([O-])c1Br ZINC000459482371 1100218194 /nfs/dbraw/zinc/21/81/94/1100218194.db2.gz QLLLZSALCCYTNR-NSHDSACASA-N -1 3 366.303 4.265 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCOc3c(Cl)cccc32)c1Br ZINC000459472965 1100228074 /nfs/dbraw/zinc/22/80/74/1100228074.db2.gz PBJYUTJELHUJPT-CYBMUJFWSA-N -1 3 368.658 4.422 20 0 FIADHM COc1cc2c(cc1F)CC[C@@H]2NCc1cccc([O-])c1Br ZINC000459529734 1100278172 /nfs/dbraw/zinc/27/81/72/1100278172.db2.gz CSQRBMUHLIEYGE-AWEZNQCLSA-N -1 3 366.230 4.080 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000473585556 1100383167 /nfs/dbraw/zinc/38/31/67/1100383167.db2.gz RINLHTAYKFJFAC-NWDGAFQWSA-N -1 3 357.278 4.431 20 0 FIADHM O=c1[n-]c(CN2CCCc3cc(F)cc(F)c32)nc2c3ccccc3oc21 ZINC000506186521 1100503330 /nfs/dbraw/zinc/50/33/30/1100503330.db2.gz AMXJYKMOGLSGKB-UHFFFAOYSA-N -1 3 367.355 4.313 20 0 FIADHM CN(Cc1c(Cl)cccc1Cl)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506202440 1100579608 /nfs/dbraw/zinc/57/96/08/1100579608.db2.gz HURSSZCGBKBTNT-UHFFFAOYSA-N -1 3 361.228 4.107 20 0 FIADHM [O-]c1ccc(F)c(CNc2cccc(-c3ccc4c(c3)OCCO4)n2)c1F ZINC000438928368 1101035255 /nfs/dbraw/zinc/03/52/55/1101035255.db2.gz IGLRZUYFVSYIJZ-UHFFFAOYSA-N -1 3 370.355 4.116 20 0 FIADHM C[C@H]1CC[C@@H](CCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)O1 ZINC000439160212 1101206184 /nfs/dbraw/zinc/20/61/84/1101206184.db2.gz ZLARCCCMONNIER-HZMBPMFUSA-N -1 3 368.264 4.092 20 0 FIADHM CC[C@H](CC1CCCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432899 1101329940 /nfs/dbraw/zinc/32/99/40/1101329940.db2.gz LPOYGPWIKLMSID-GFCCVEGCSA-N -1 3 365.827 4.456 20 0 FIADHM CC(C)(C)c1ccccc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432054 1101331341 /nfs/dbraw/zinc/33/13/41/1101331341.db2.gz OAJOTSBWBZVZSV-UHFFFAOYSA-N -1 3 359.779 4.071 20 0 FIADHM COC(=O)c1nc(NC(=O)c2cc([O-])c3ccccc3c2)sc1C(C)C ZINC000426374889 1101411799 /nfs/dbraw/zinc/41/17/99/1101411799.db2.gz YPOZZEQVTJEYPW-UHFFFAOYSA-N -1 3 370.430 4.164 20 0 FIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000537148259 1101509631 /nfs/dbraw/zinc/50/96/31/1101509631.db2.gz NQNIQTNTEQRKNE-UHFFFAOYSA-N -1 3 369.158 4.105 20 0 FIADHM CC(=O)c1ccc(OCc2nc(=O)c3c4c(sc3[n-]2)CCCCC4)cc1 ZINC000055502374 1101673873 /nfs/dbraw/zinc/67/38/73/1101673873.db2.gz CRPTZOVGTUYEDQ-UHFFFAOYSA-N -1 3 368.458 4.035 20 0 FIADHM Cc1sc2nc(-c3cc(Cl)c4c(c3)OCCCO4)[n-]c(=O)c2c1C ZINC000055492802 1101678261 /nfs/dbraw/zinc/67/82/61/1101678261.db2.gz COPKHHPJECMWSC-UHFFFAOYSA-N -1 3 362.838 4.083 20 0 FIADHM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000506724675 1101914838 /nfs/dbraw/zinc/91/48/38/1101914838.db2.gz CRTHPNCSULGZMH-CYBMUJFWSA-N -1 3 366.483 4.091 20 0 FIADHM CC(C)c1c(NC(=O)c2c[n-]c3ccccc3c2=O)cnn1-c1ccccc1 ZINC000191034694 1101935631 /nfs/dbraw/zinc/93/56/31/1101935631.db2.gz LKQZVUCMIYWNMO-UHFFFAOYSA-N -1 3 372.428 4.090 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(-c2cccs2)on1 ZINC000476137484 1101962346 /nfs/dbraw/zinc/96/23/46/1101962346.db2.gz FOAFZOOXLCPJNW-UHFFFAOYSA-N -1 3 354.309 4.380 20 0 FIADHM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000035348666 1101965485 /nfs/dbraw/zinc/96/54/85/1101965485.db2.gz WFQPACQHUHRPEL-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC(C)(C)CC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000519146320 1101970382 /nfs/dbraw/zinc/97/03/82/1101970382.db2.gz NFBMJKKOOMGCCF-UHFFFAOYSA-N -1 3 356.470 4.494 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000476152971 1101990128 /nfs/dbraw/zinc/99/01/28/1101990128.db2.gz KQEGDFJIWRYHGZ-CQSZACIVSA-N -1 3 357.715 4.007 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc(-c2ccncc2)s1 ZINC000476153205 1101990384 /nfs/dbraw/zinc/99/03/84/1101990384.db2.gz LGEPUMLHTNPBFM-UHFFFAOYSA-N -1 3 365.336 4.182 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 ZINC000476171277 1102012707 /nfs/dbraw/zinc/01/27/07/1102012707.db2.gz SHDICSOMRBZTJN-UHFFFAOYSA-N -1 3 350.218 4.077 20 0 FIADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000476247090 1102075486 /nfs/dbraw/zinc/07/54/86/1102075486.db2.gz CNDAZRKDYQORQA-UHFFFAOYSA-N -1 3 369.286 4.232 20 0 FIADHM CCOc1cc(CNc2ccc([C@H](C)CC(N)=O)cc2)cc(Cl)c1[O-] ZINC000897837510 1102139823 /nfs/dbraw/zinc/13/98/23/1102139823.db2.gz DQDKCZQQNVRSRO-GFCCVEGCSA-N -1 3 362.857 4.035 20 0 FIADHM COc1c(Cl)cc(Cl)cc1CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000263460581 1102165791 /nfs/dbraw/zinc/16/57/91/1102165791.db2.gz BQRCNBDJFQIQKG-VQISRLSMSA-N -1 3 358.265 4.220 20 0 FIADHM C[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000263477845 1102174503 /nfs/dbraw/zinc/17/45/03/1102174503.db2.gz FSCLPHMMQJWFAP-MRXNPFEDSA-N -1 3 371.289 4.414 20 0 FIADHM CC(C)(CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC(=O)[O-] ZINC000426644930 1102219330 /nfs/dbraw/zinc/21/93/30/1102219330.db2.gz FPDKSWGZMRAACD-UHFFFAOYSA-N -1 3 372.412 4.419 20 0 FIADHM C[C@H]1CC[C@](CNCc2csc(-c3cccs3)n2)(CC(=O)[O-])C1 ZINC000426638938 1102222252 /nfs/dbraw/zinc/22/22/52/1102222252.db2.gz TWPUUOOVWCHHEO-YVEFUNNKSA-N -1 3 350.509 4.242 20 0 FIADHM CCOc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1Cl ZINC000120961120 1102289137 /nfs/dbraw/zinc/28/91/37/1102289137.db2.gz INDFDAVIBFXNGJ-UHFFFAOYSA-N -1 3 374.799 4.280 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCC4(CC4)CC3)c2)n1 ZINC000666588449 1102312526 /nfs/dbraw/zinc/31/25/26/1102312526.db2.gz ZUQHJNYMYSAWSN-UHFFFAOYSA-N -1 3 351.450 4.321 20 0 FIADHM O=C(COc1ccc(Cl)c2cccnc12)Nc1cc(Cl)ccc1[O-] ZINC000111210784 1102477963 /nfs/dbraw/zinc/47/79/63/1102477963.db2.gz MXVJQEKDXZCPCP-UHFFFAOYSA-N -1 3 363.200 4.265 20 0 FIADHM CCc1cccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1[O-] ZINC000537639197 1102513062 /nfs/dbraw/zinc/51/30/62/1102513062.db2.gz OAWBHVDGHWWOFD-UHFFFAOYSA-N -1 3 360.457 4.235 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000122124728 1102527308 /nfs/dbraw/zinc/52/73/08/1102527308.db2.gz UGJNKRUEYMFPCZ-FQEVSTJZSA-N -1 3 364.445 4.033 20 0 FIADHM O=c1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)nc(C2CC2)[n-]1 ZINC000459294670 1102739202 /nfs/dbraw/zinc/73/92/02/1102739202.db2.gz CJNAJOISGIFXIE-OAHLLOKOSA-N -1 3 352.463 4.006 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1Br ZINC000123036068 1102748998 /nfs/dbraw/zinc/74/89/98/1102748998.db2.gz PRPJJKCZABMJRF-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCCOc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000123115357 1102780342 /nfs/dbraw/zinc/78/03/42/1102780342.db2.gz BHAJJTJZQMEIRO-UHFFFAOYSA-N -1 3 354.381 4.017 20 0 FIADHM CCCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000426670852 1102782409 /nfs/dbraw/zinc/78/24/09/1102782409.db2.gz IENYKIONSRTJKM-HXUWFJFHSA-N -1 3 357.450 4.098 20 0 FIADHM COc1cccc(OC)c1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000473797513 1102792439 /nfs/dbraw/zinc/79/24/39/1102792439.db2.gz SWLNQYHYXKHAFO-UHFFFAOYSA-N -1 3 368.414 4.391 20 0 FIADHM Cc1ccc([C@@H](NCc2cc(Br)c(Cl)s2)C(=O)[O-])cc1 ZINC000426672277 1102861163 /nfs/dbraw/zinc/86/11/63/1102861163.db2.gz QTSDFMFTSUYYNB-GFCCVEGCSA-N -1 3 374.687 4.388 20 0 FIADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cc[nH]c1C1CC1 ZINC000550268703 1102894323 /nfs/dbraw/zinc/89/43/23/1102894323.db2.gz FRILVEKSRJBGLO-UHFFFAOYSA-N -1 3 361.232 4.263 20 0 FIADHM CCOc1cc(CNc2cc(F)ccc2OCCOC)cc(Cl)c1[O-] ZINC000459358688 1102912943 /nfs/dbraw/zinc/91/29/43/1102912943.db2.gz SUNSQFAYHWSGQU-UHFFFAOYSA-N -1 3 369.820 4.221 20 0 FIADHM CC1CCC(Oc2cc(CNC(=O)c3cc([O-])ccc3Cl)ccn2)CC1 ZINC000551147349 1102940448 /nfs/dbraw/zinc/94/04/48/1102940448.db2.gz BTRPXWNOMFDAMY-UHFFFAOYSA-N -1 3 374.868 4.328 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Br)s1)c1ccccc1 ZINC000426722917 1102940765 /nfs/dbraw/zinc/94/07/65/1102940765.db2.gz JJGKILCTOXGJFL-IINYFYTJSA-N -1 3 354.269 4.062 20 0 FIADHM COc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC(C)C ZINC000426745544 1102961888 /nfs/dbraw/zinc/96/18/88/1102961888.db2.gz UVJKWRLZTXJPHU-HXUWFJFHSA-N -1 3 357.450 4.015 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc3cc(OC)ccc3o2)cc1 ZINC000426727582 1102962825 /nfs/dbraw/zinc/96/28/25/1102962825.db2.gz PAUDYOJTVUYKST-IBGZPJMESA-N -1 3 369.417 4.146 20 0 FIADHM CCCOc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC ZINC000426763243 1102964147 /nfs/dbraw/zinc/96/41/47/1102964147.db2.gz RJIJFZNGIQGAEN-HXUWFJFHSA-N -1 3 357.450 4.016 20 0 FIADHM COCc1cccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000426751629 1102967995 /nfs/dbraw/zinc/96/79/95/1102967995.db2.gz WYIVMZQZEUYOCV-KRWDZBQOSA-N -1 3 368.260 4.445 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000426751912 1102968511 /nfs/dbraw/zinc/96/85/11/1102968511.db2.gz ZATRJXLUJYLFCK-HNNXBMFYSA-N -1 3 373.758 4.197 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(Cl)c(F)c2)cc1 ZINC000426754425 1102970534 /nfs/dbraw/zinc/97/05/34/1102970534.db2.gz QFCRWKUDDURQMX-KRWDZBQOSA-N -1 3 351.805 4.183 20 0 FIADHM CC(C)c1ccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1 ZINC000426759395 1102974331 /nfs/dbraw/zinc/97/43/31/1102974331.db2.gz WKVSBCPIRFNFBL-OAQYLSRUSA-N -1 3 363.461 4.301 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000426762061 1102975384 /nfs/dbraw/zinc/97/53/84/1102975384.db2.gz GYVDAGSAMIAIRA-INIZCTEOSA-N -1 3 371.330 4.159 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2)c1 ZINC000426781310 1102983774 /nfs/dbraw/zinc/98/37/74/1102983774.db2.gz BEQXYYPVOQLHGE-INIZCTEOSA-N -1 3 353.340 4.020 20 0 FIADHM CCc1ccc([C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426792923 1102994164 /nfs/dbraw/zinc/99/41/64/1102994164.db2.gz LEQAYOMPANUZMQ-MRXNPFEDSA-N -1 3 355.331 4.322 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)cc1)c1cccc(Cl)c1 ZINC000426809209 1103004359 /nfs/dbraw/zinc/00/43/59/1103004359.db2.gz UECVFQKJVPYKCG-OAHLLOKOSA-N -1 3 355.768 4.247 20 0 FIADHM Cc1cc([C@@H](NCc2cc(Br)cs2)C(=O)[O-])ccc1Cl ZINC000426810825 1103007338 /nfs/dbraw/zinc/00/73/38/1103007338.db2.gz QIUKEDKBMKTDKZ-CYBMUJFWSA-N -1 3 374.687 4.388 20 0 FIADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccc(N3CCCC3)nc2)cc1 ZINC000426814217 1103008022 /nfs/dbraw/zinc/00/80/22/1103008022.db2.gz DHUQHHFHEOLXQO-HXUWFJFHSA-N -1 3 367.493 4.111 20 0 FIADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1F ZINC000426821348 1103016431 /nfs/dbraw/zinc/01/64/31/1103016431.db2.gz RYJYQLSWBJUENR-INIZCTEOSA-N -1 3 366.230 4.202 20 0 FIADHM Cc1ncc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cn1 ZINC000507115662 1103110979 /nfs/dbraw/zinc/11/09/79/1103110979.db2.gz IGIHXFUXDHJIGM-UHFFFAOYSA-N -1 3 370.459 4.189 20 0 FIADHM CC[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000454334182 1103159571 /nfs/dbraw/zinc/15/95/71/1103159571.db2.gz DMQKKVXOQWYYRX-DZGCQCFKSA-N -1 3 354.454 4.200 20 0 FIADHM O=c1[n-]c(CN2CCC(CC(F)(F)F)CC2)nc2c3ccccc3oc21 ZINC000551401285 1103181517 /nfs/dbraw/zinc/18/15/17/1103181517.db2.gz CEEPQPKFXBFXKV-UHFFFAOYSA-N -1 3 365.355 4.246 20 0 FIADHM Cc1c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c2ccccc2n1C ZINC000551474842 1103270060 /nfs/dbraw/zinc/27/00/60/1103270060.db2.gz RNOIPCNUFITHMA-UHFFFAOYSA-N -1 3 352.818 4.080 20 0 FIADHM CC(C)[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCS1 ZINC000440493510 1103292891 /nfs/dbraw/zinc/29/28/91/1103292891.db2.gz WYQVBOQZEGMRQT-HXUWFJFHSA-N -1 3 355.503 4.197 20 0 FIADHM CCc1noc(C)c1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000093246330 1103529847 /nfs/dbraw/zinc/52/98/47/1103529847.db2.gz ZZEZTDLUENNMLY-UHFFFAOYSA-N -1 3 352.390 4.082 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC3CCC(C)(C)CC3)cc2)n1 ZINC000507725546 1103660451 /nfs/dbraw/zinc/66/04/51/1103660451.db2.gz MNKYGZAOHUUQHM-UHFFFAOYSA-N -1 3 353.466 4.290 20 0 FIADHM COc1ccccc1CCN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000519765801 1103837509 /nfs/dbraw/zinc/83/75/09/1103837509.db2.gz YWOLJXADXVPMLW-QGZVFWFLSA-N -1 3 368.260 4.302 20 0 FIADHM CC(C)(C)C(=O)c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000537756153 1103916870 /nfs/dbraw/zinc/91/68/70/1103916870.db2.gz QSSORYQPRIOMTG-UHFFFAOYSA-N -1 3 353.344 4.042 20 0 FIADHM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000440940573 1104043423 /nfs/dbraw/zinc/04/34/23/1104043423.db2.gz HJXBQFVDPBHWRF-KRWDZBQOSA-N -1 3 362.832 4.178 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(-c3ccccc3OC)cc2)n1 ZINC000538258705 1104082493 /nfs/dbraw/zinc/08/24/93/1104082493.db2.gz CQJSSHCSSSOFKU-OAHLLOKOSA-N -1 3 363.461 4.271 20 0 FIADHM CCc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c([O-])c1 ZINC000188449363 1104508343 /nfs/dbraw/zinc/50/83/43/1104508343.db2.gz OSKAQQOCAUXILM-UHFFFAOYSA-N -1 3 351.402 4.096 20 0 FIADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3c(C)cccc3[O-])cc2)c1 ZINC000188989215 1104769169 /nfs/dbraw/zinc/76/91/69/1104769169.db2.gz DVBQUYJDJZKPRW-UHFFFAOYSA-N -1 3 361.397 4.193 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000189781063 1104842852 /nfs/dbraw/zinc/84/28/52/1104842852.db2.gz QJUHVSNEUAMLKH-UHFFFAOYSA-N -1 3 364.883 4.054 20 0 FIADHM Cc1cccc(C[C@@H](CNCc2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000417556241 1104968926 /nfs/dbraw/zinc/96/89/26/1104968926.db2.gz GGDAXBRIZJJWBJ-ZDUSSCGKSA-N -1 3 358.290 4.396 20 0 FIADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000520565000 1105000992 /nfs/dbraw/zinc/00/09/92/1105000992.db2.gz ZACBYOOHWXALKC-DZGCQCFKSA-N -1 3 361.388 4.442 20 0 FIADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000614621702 1105049089 /nfs/dbraw/zinc/04/90/89/1105049089.db2.gz CPGRUPLDDCIXEZ-GXSJLCMTSA-N -1 3 360.262 4.188 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccccc4)C(C)(C)C3)nc2)n1 ZINC000135577858 1105065036 /nfs/dbraw/zinc/06/50/36/1105065036.db2.gz BTXLICCAAGNSQI-LJQANCHMSA-N -1 3 374.488 4.024 20 0 FIADHM C[C@H](c1ccccc1F)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053124963 1105154418 /nfs/dbraw/zinc/15/44/18/1105154418.db2.gz AYZAGEQLNJJCIE-GFCCVEGCSA-N -1 3 351.381 4.001 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000427929616 1105317846 /nfs/dbraw/zinc/31/78/46/1105317846.db2.gz HEUKXZVLTKXVKQ-ZIAGYGMSSA-N -1 3 354.208 4.258 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000428095893 1105366190 /nfs/dbraw/zinc/36/61/90/1105366190.db2.gz LIXKGUMDPKAZOG-UHFFFAOYSA-N -1 3 369.396 4.440 20 0 FIADHM CC(C)CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000450996533 1106863444 /nfs/dbraw/zinc/86/34/44/1106863444.db2.gz DROLJBVQFNUDFL-GOSISDBHSA-N -1 3 356.441 4.031 20 0 FIADHM Cc1cc(Br)c(CN(C)[C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000530167364 1106875963 /nfs/dbraw/zinc/87/59/63/1106875963.db2.gz YWINCHXNTCGDHD-AWEZNQCLSA-N -1 3 362.695 4.342 20 0 FIADHM O=C([O-])c1cccc(CN2CCC[C@]3(CCc4ccccc4O3)C2)c1Cl ZINC000530172074 1106881933 /nfs/dbraw/zinc/88/19/33/1106881933.db2.gz HVOIVPJEPXBGAR-NRFANRHFSA-N -1 3 371.864 4.398 20 0 FIADHM Cc1nc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)oc1-c1ccc(Cl)cc1 ZINC000530175146 1106904984 /nfs/dbraw/zinc/90/49/84/1106904984.db2.gz NYLUKTLYKYIHBU-VXGBXAGGSA-N -1 3 362.857 4.377 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000451170112 1106957477 /nfs/dbraw/zinc/95/74/77/1106957477.db2.gz IIUDPPBKTIIDED-MRVPVSSYSA-N -1 3 364.945 4.195 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)c3ccc(F)cc3F)nc2)n1 ZINC000301450993 1107033591 /nfs/dbraw/zinc/03/35/91/1107033591.db2.gz FXNZHQGDEUZVHL-GFCCVEGCSA-N -1 3 370.403 4.300 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](C)c3cc(F)ccc3F)nc2)n1 ZINC000301525055 1107058880 /nfs/dbraw/zinc/05/88/80/1107058880.db2.gz MVXSHIMTJCDOJX-LBPRGKRZSA-N -1 3 370.403 4.282 20 0 FIADHM CCS[C@H]1CCCC[C@@H]1Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301539954 1107063079 /nfs/dbraw/zinc/06/30/79/1107063079.db2.gz JTFYEBNGXGHKQO-HOTGVXAUSA-N -1 3 358.511 4.283 20 0 FIADHM CCc1cc2c(ncnc2NCc2ccc([O-])c(Br)c2)s1 ZINC000301716541 1107121651 /nfs/dbraw/zinc/12/16/51/1107121651.db2.gz XSIPKJGGNSHTEK-UHFFFAOYSA-N -1 3 364.268 4.334 20 0 FIADHM CCc1nc2sccc2c(NCc2ccc([O-])c(Br)c2)n1 ZINC000301829825 1107171770 /nfs/dbraw/zinc/17/17/70/1107171770.db2.gz HBJFTRMGIFNMTA-UHFFFAOYSA-N -1 3 364.268 4.334 20 0 FIADHM CSCc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1F ZINC000530595110 1107173933 /nfs/dbraw/zinc/17/39/33/1107173933.db2.gz SHRUFSIZJVVALR-UHFFFAOYSA-N -1 3 370.243 4.409 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC3Cc4ccccc4C3)nc2)n1 ZINC000301851516 1107182014 /nfs/dbraw/zinc/18/20/14/1107182014.db2.gz PNASMOBWKZISTM-UHFFFAOYSA-N -1 3 360.461 4.024 20 0 FIADHM Cc1nc(-c2ccc(N[C@H](C)c3cccc(F)c3F)nc2)[n-]c(=O)c1C ZINC000301912723 1107209461 /nfs/dbraw/zinc/20/94/61/1107209461.db2.gz HENVOZWBLLWEEC-GFCCVEGCSA-N -1 3 356.376 4.312 20 0 FIADHM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCC(OC2CCCC2)CC1 ZINC000521447550 1107231949 /nfs/dbraw/zinc/23/19/49/1107231949.db2.gz ZKCHDYRDYVEGLL-KRWDZBQOSA-N -1 3 371.399 4.255 20 0 FIADHM CC(=O)CCc1ccc2oc(C(=O)Nc3cc(F)ccc3[O-])c(C)c2c1 ZINC000530658097 1107232453 /nfs/dbraw/zinc/23/24/53/1107232453.db2.gz QNEFHPHYIGFCOH-UHFFFAOYSA-N -1 3 355.365 4.360 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4cc(C)cc(C)c4)C3)nc2)n1 ZINC000302137102 1107313731 /nfs/dbraw/zinc/31/37/31/1107313731.db2.gz IFVBMLMBSQXAJD-SFHVURJKSA-N -1 3 374.488 4.417 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(CC)Cc3ccccc3Cl)nc2)n1 ZINC000302832334 1107461807 /nfs/dbraw/zinc/46/18/07/1107461807.db2.gz RLAHJFSJLBOJCN-UHFFFAOYSA-N -1 3 368.868 4.487 20 0 FIADHM COc1cccc(Cl)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000531049913 1107485248 /nfs/dbraw/zinc/48/52/48/1107485248.db2.gz ZATBHBHEYWZUAD-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])cnc2ccccc12 ZINC000531132249 1107568574 /nfs/dbraw/zinc/56/85/74/1107568574.db2.gz TYEKHYRHNFCZIN-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000614787028 1107769303 /nfs/dbraw/zinc/76/93/03/1107769303.db2.gz ODZYDPCENWDIEJ-UHFFFAOYSA-N -1 3 363.479 4.208 20 0 FIADHM COc1cc(C(=O)Nc2cc(F)ccc2[O-])cc(Cl)c1OCC(C)C ZINC000531372931 1107814711 /nfs/dbraw/zinc/81/47/11/1107814711.db2.gz DSFFJYTYEXWEFP-UHFFFAOYSA-N -1 3 367.804 4.480 20 0 FIADHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000531476780 1107916820 /nfs/dbraw/zinc/91/68/20/1107916820.db2.gz MBGCJDRCHAHQKG-NSHDSACASA-N -1 3 364.239 4.296 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)c1coc(C2CCCC2)n1 ZINC000452759339 1107939713 /nfs/dbraw/zinc/93/97/13/1107939713.db2.gz SYLBFVXNILFSCU-UHFFFAOYSA-N -1 3 365.227 4.361 20 0 FIADHM CCO[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000452821545 1107960197 /nfs/dbraw/zinc/96/01/97/1107960197.db2.gz IVQVWMFLFVWIEG-YWZLYKJASA-N -1 3 355.434 4.072 20 0 FIADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000531618091 1108027543 /nfs/dbraw/zinc/02/75/43/1108027543.db2.gz UVKRKOSJWQTVMT-OAHLLOKOSA-N -1 3 356.260 4.221 20 0 FIADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)sc1-c1ccc(F)cc1 ZINC000523288179 1108060362 /nfs/dbraw/zinc/06/03/62/1108060362.db2.gz BMSHIMWEOJMFIW-UHFFFAOYSA-N -1 3 368.393 4.493 20 0 FIADHM O=C(Cc1ccc(F)cc1Cl)Nc1cc(Br)ccc1[O-] ZINC000531756103 1108122883 /nfs/dbraw/zinc/12/28/83/1108122883.db2.gz GQVSEHDSSVDHIV-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000523513017 1108276691 /nfs/dbraw/zinc/27/66/91/1108276691.db2.gz CZOGVPQPLMQNSJ-SFHVURJKSA-N -1 3 374.412 4.321 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC2(CC1)OCCc1ccccc12 ZINC000457138181 1108285381 /nfs/dbraw/zinc/28/53/81/1108285381.db2.gz MKDHQVYRABMCHL-UHFFFAOYSA-N -1 3 373.452 4.250 20 0 FIADHM COc1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc(OC)c1[O-] ZINC000445460035 1108794190 /nfs/dbraw/zinc/79/41/90/1108794190.db2.gz LXTAJVMPJMVOMW-UHFFFAOYSA-N -1 3 367.188 4.433 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(Br)c1)c1ccccc1 ZINC000426756059 1108794526 /nfs/dbraw/zinc/79/45/26/1108794526.db2.gz HOXQBYOAQPUQOV-MEDUHNTESA-N -1 3 366.230 4.140 20 0 FIADHM Cc1ccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)cc1 ZINC000445865032 1109025109 /nfs/dbraw/zinc/02/51/09/1109025109.db2.gz CFPNUMVFAYKEEP-OAHLLOKOSA-N -1 3 364.323 4.165 20 0 FIADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1cccc2ncccc12 ZINC000446771595 1109334663 /nfs/dbraw/zinc/33/46/63/1109334663.db2.gz YZTSZSJVBYTQNL-UHFFFAOYSA-N -1 3 367.257 4.484 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(C)c1 ZINC000525535676 1109415175 /nfs/dbraw/zinc/41/51/75/1109415175.db2.gz KMJHDPJBWJDPTN-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@H]1c1cccc(F)c1F ZINC000525577500 1109430577 /nfs/dbraw/zinc/43/05/77/1109430577.db2.gz LQJNIWLPTRVUQY-QWRGUYRKSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000447233118 1109485262 /nfs/dbraw/zinc/48/52/62/1109485262.db2.gz XMXXZYKUHYHWGI-IBGZPJMESA-N -1 3 360.404 4.401 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@H]3C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000525778557 1109515742 /nfs/dbraw/zinc/51/57/42/1109515742.db2.gz HUHLRYNEKVIOET-PKOBYXMFSA-N -1 3 366.465 4.248 20 0 FIADHM CCc1cc(=O)[n-]c(CNC2(c3c(Cl)cccc3Cl)CCC2)n1 ZINC000447378835 1109527680 /nfs/dbraw/zinc/52/76/80/1109527680.db2.gz AIYKQJQFTITVNE-UHFFFAOYSA-N -1 3 352.265 4.220 20 0 FIADHM C[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CO1 ZINC000525882831 1109543572 /nfs/dbraw/zinc/54/35/72/1109543572.db2.gz UGJBBTLFUXYGEG-RYUDHWBXSA-N -1 3 354.431 4.032 20 0 FIADHM COc1cccc(C[C@@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000526046419 1109602542 /nfs/dbraw/zinc/60/25/42/1109602542.db2.gz DWLDKITYXDVTDW-SFHVURJKSA-N -1 3 371.452 4.096 20 0 FIADHM COc1cccc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)c1 ZINC000526124365 1109630550 /nfs/dbraw/zinc/63/05/50/1109630550.db2.gz OGNOGTXQFHLQGG-UHFFFAOYSA-N -1 3 360.373 4.011 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(Br)cc2Cl)n1 ZINC000447879279 1109665095 /nfs/dbraw/zinc/66/50/95/1109665095.db2.gz PLXLCLUWDWFNAN-JTQLQIEISA-N -1 3 370.678 4.100 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)s1 ZINC000527062465 1109678023 /nfs/dbraw/zinc/67/80/23/1109678023.db2.gz WKPYTTOUTVTRKZ-UHFFFAOYSA-N -1 3 356.432 4.223 20 0 FIADHM CCc1cc(C(=O)[N-]c2c(-c3ccc(C)cc3)csc2C(=O)OC)no1 ZINC001271955054 1109821520 /nfs/dbraw/zinc/82/15/20/1109821520.db2.gz GPXUPZJAHFMPAP-UHFFFAOYSA-N -1 3 370.430 4.313 20 0 FIADHM O=c1[n-]c(SC[C@@H]2CCCC2(F)F)nc2c1cnn2-c1ccccc1 ZINC000450603841 1110317167 /nfs/dbraw/zinc/31/71/67/1110317167.db2.gz ZOIOJADWWJTOTJ-NSHDSACASA-N -1 3 362.405 4.049 20 0 FIADHM CCOc1c(F)cccc1C(=O)[N-]c1c(F)cc(C(C)=O)c(F)c1F ZINC000538855438 1111321423 /nfs/dbraw/zinc/32/14/23/1111321423.db2.gz LYZQSKURBAIWJZ-UHFFFAOYSA-N -1 3 355.287 4.097 20 0 FIADHM COc1cccc(F)c1[C@H](C)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000539357631 1111524535 /nfs/dbraw/zinc/52/45/35/1111524535.db2.gz NOSUKQSADWHHNR-NSHDSACASA-N -1 3 367.380 4.080 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OC(C)C)cc3F)c[n-]c12 ZINC000552894736 1111841248 /nfs/dbraw/zinc/84/12/48/1111841248.db2.gz KTWYEQNTRFLOBV-UHFFFAOYSA-N -1 3 372.371 4.154 20 0 FIADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479523394 1112052100 /nfs/dbraw/zinc/05/21/00/1112052100.db2.gz FXQGGJGKNJQQPQ-UHFFFAOYSA-N -1 3 365.455 4.057 20 0 FIADHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000480083438 1112278939 /nfs/dbraw/zinc/27/89/39/1112278939.db2.gz SQDCLZDSSPNMFO-UHFFFAOYSA-N -1 3 360.772 4.078 20 0 FIADHM Cc1nc(-c2ccc(N3CCC[C@@H](C(F)(F)F)[C@H]3C)nc2)[n-]c(=O)c1C ZINC000480301041 1112377511 /nfs/dbraw/zinc/37/75/11/1112377511.db2.gz MRJJDUUAUYWEGZ-TZMCWYRMSA-N -1 3 366.387 4.028 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc(F)c(Cl)cc1F ZINC000480646440 1112527697 /nfs/dbraw/zinc/52/76/97/1112527697.db2.gz KAPKAGCPSGMPGW-UHFFFAOYSA-N -1 3 369.158 4.309 20 0 FIADHM CCc1cccc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000554902648 1112554439 /nfs/dbraw/zinc/55/44/39/1112554439.db2.gz ZVTNHRYXAYFLOB-IEBWSBKVSA-N -1 3 357.425 4.086 20 0 FIADHM O=C(NCc1cccc(Br)c1)c1cc([O-])c2ccccc2c1 ZINC001142642793 1112962857 /nfs/dbraw/zinc/96/28/57/1112962857.db2.gz QSNOYEOIGSCULP-UHFFFAOYSA-N -1 3 356.219 4.238 20 0 FIADHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1c(Cl)cc(F)cc1Cl ZINC000555721107 1112978499 /nfs/dbraw/zinc/97/84/99/1112978499.db2.gz LOYKOSOZIDZJRU-UHFFFAOYSA-N -1 3 365.195 4.025 20 0 FIADHM O=C(Nc1nc(Sc2ccccc2)ns1)c1cc([O-])ccc1Cl ZINC000555952717 1113082226 /nfs/dbraw/zinc/08/22/26/1113082226.db2.gz ZJXPJZLXPZNFPA-UHFFFAOYSA-N -1 3 363.851 4.301 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000482863863 1113380656 /nfs/dbraw/zinc/38/06/56/1113380656.db2.gz GSXMYBFCZBWHCX-HOTGVXAUSA-N -1 3 359.416 4.446 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC2CCC2)c2ccccc2)c1 ZINC000482882115 1113391497 /nfs/dbraw/zinc/39/14/97/1113391497.db2.gz PPHBWFUIUARNFG-LJQANCHMSA-N -1 3 352.434 4.012 20 0 FIADHM CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000162298777 1113453484 /nfs/dbraw/zinc/45/34/84/1113453484.db2.gz RDSAMVDDONERPQ-ZDUSSCGKSA-N -1 3 369.417 4.379 20 0 FIADHM O=c1cc(C=Cc2csc(-c3ccsc3)n2)nc(-c2ccncc2)[n-]1 ZINC000486010235 1113485740 /nfs/dbraw/zinc/48/57/40/1113485740.db2.gz WWZBKWRGRNYXAL-UPHRSURJSA-N -1 3 364.455 4.187 20 0 FIADHM O=c1cc(C=Cc2ccc(-c3ccc(F)cc3)o2)nc(-c2ccncc2)[n-]1 ZINC000486073727 1113502101 /nfs/dbraw/zinc/50/21/01/1113502101.db2.gz HMSNOBSOZOTEDG-AATRIKPKSA-N -1 3 359.360 4.401 20 0 FIADHM O=c1cc(C=Cc2ccc(-c3ccc(F)cc3)o2)nc(-c2ccncc2)[n-]1 ZINC000486073728 1113502165 /nfs/dbraw/zinc/50/21/65/1113502165.db2.gz HMSNOBSOZOTEDG-WAYWQWQTSA-N -1 3 359.360 4.401 20 0 FIADHM Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1Br ZINC000486101070 1113505089 /nfs/dbraw/zinc/50/50/89/1113505089.db2.gz CWJHYHVHWJWMDQ-SNAWJCMRSA-N -1 3 368.234 4.073 20 0 FIADHM O=c1cc(C=Cc2csc(-c3ccccc3)n2)nc(-c2ccncc2)[n-]1 ZINC000486104129 1113506266 /nfs/dbraw/zinc/50/62/66/1113506266.db2.gz SMNQLJUHWRXGNF-SREVYHEPSA-N -1 3 358.426 4.126 20 0 FIADHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cc([O-])ccc1Cl ZINC000487028812 1113698540 /nfs/dbraw/zinc/69/85/40/1113698540.db2.gz OUMDIMKKMNYGJU-UHFFFAOYSA-N -1 3 353.765 4.206 20 0 FIADHM CCc1sc(C(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000488658689 1113971692 /nfs/dbraw/zinc/97/16/92/1113971692.db2.gz OQGNPAXDHVWPRF-UHFFFAOYSA-N -1 3 354.269 4.017 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1sccc1C1CC1 ZINC000488678865 1113975089 /nfs/dbraw/zinc/97/50/89/1113975089.db2.gz WDIJVIXSYYFTNJ-UHFFFAOYSA-N -1 3 352.253 4.024 20 0 FIADHM Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488679303 1113975449 /nfs/dbraw/zinc/97/54/49/1113975449.db2.gz UYHFAZCVRCFJMW-ZDUSSCGKSA-N -1 3 362.267 4.273 20 0 FIADHM Cc1cc(F)c(NC(=O)c2cccc(CN3CCCCC3)c2)cc1C(=O)[O-] ZINC000911686358 1114012420 /nfs/dbraw/zinc/01/24/20/1114012420.db2.gz KDXQMIBROFCEHY-UHFFFAOYSA-N -1 3 370.424 4.071 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)[nH][n-]1 ZINC000489928037 1114188721 /nfs/dbraw/zinc/18/87/21/1114188721.db2.gz AIUWWRJEXXWADI-INIZCTEOSA-N -1 3 373.378 4.482 20 0 FIADHM O=C([N-]NC(=O)c1ccc(Cl)cc1)c1sccc1-c1ccccc1 ZINC000029488856 1114310204 /nfs/dbraw/zinc/31/02/04/1114310204.db2.gz JDHKQSIUIDLWOA-UHFFFAOYSA-N -1 3 356.834 4.143 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(CCCc1ccccc1)c1ccccc1 ZINC000571537242 1114480392 /nfs/dbraw/zinc/48/03/92/1114480392.db2.gz ZVMYOVMFMWVFGN-UHFFFAOYSA-N -1 3 373.456 4.339 20 0 FIADHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000055600541 1114497789 /nfs/dbraw/zinc/49/77/89/1114497789.db2.gz FGQDYENFWFNXNH-UHFFFAOYSA-N -1 3 362.451 4.179 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000590103364 1114894528 /nfs/dbraw/zinc/89/45/28/1114894528.db2.gz VCUAIDGVXXRVBG-UWVGGRQHSA-N -1 3 363.204 4.114 20 0 FIADHM O=C(NC1c2ccccc2Oc2ccccc21)c1cc(=O)c2ccccc2[n-]1 ZINC000591180455 1115028654 /nfs/dbraw/zinc/02/86/54/1115028654.db2.gz RLVANAXWHPVBGK-UHFFFAOYSA-N -1 3 368.392 4.153 20 0 FIADHM Cc1ccc2c(c1)sc(C(=O)Nc1ccc(-c3nnn[n-]3)cc1)c2Cl ZINC000591176254 1115028682 /nfs/dbraw/zinc/02/86/82/1115028682.db2.gz LYDMTSSUUYHADD-UHFFFAOYSA-N -1 3 369.837 4.296 20 0 FIADHM Cc1ccc2c(c1)sc(C(=O)Nc1ccc(-c3nn[n-]n3)cc1)c2Cl ZINC000591176254 1115028685 /nfs/dbraw/zinc/02/86/85/1115028685.db2.gz LYDMTSSUUYHADD-UHFFFAOYSA-N -1 3 369.837 4.296 20 0 FIADHM Cc1ccc(-c2nnc([C@H](C)SCc3cc(=O)[n-]c(C4CC4)n3)o2)cc1 ZINC000591405116 1115078610 /nfs/dbraw/zinc/07/86/10/1115078610.db2.gz SOABDUZMFRUMGM-LBPRGKRZSA-N -1 3 368.462 4.412 20 0 FIADHM CC(C)[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000573259412 1115087294 /nfs/dbraw/zinc/08/72/94/1115087294.db2.gz WNFGWVLFDCUUNQ-MLGOLLRUSA-N -1 3 372.278 4.472 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)c1[O-] ZINC000591780451 1115135808 /nfs/dbraw/zinc/13/58/08/1115135808.db2.gz FZJWIVLXWKNIFY-UHFFFAOYSA-N -1 3 361.266 4.307 20 0 FIADHM CCC[C@]1(COC)CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000573734628 1115179320 /nfs/dbraw/zinc/17/93/20/1115179320.db2.gz XMUKJXCBOWNVFH-HXUWFJFHSA-N -1 3 374.506 4.289 20 0 FIADHM O=C([O-])c1ccc(OCCN(Cc2cccs2)C2CC2)c(Cl)c1 ZINC000573809354 1115183947 /nfs/dbraw/zinc/18/39/47/1115183947.db2.gz XXNRXDDLOOLTMM-UHFFFAOYSA-N -1 3 351.855 4.143 20 0 FIADHM COC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000573910211 1115195531 /nfs/dbraw/zinc/19/55/31/1115195531.db2.gz ZTSYWXWQRSJYSJ-KRWDZBQOSA-N -1 3 365.832 4.011 20 0 FIADHM O=C(Cc1cccc(OCc2ccccc2Cl)c1)Nc1ncccc1[O-] ZINC000592300857 1115218163 /nfs/dbraw/zinc/21/81/63/1115218163.db2.gz DGRUQIMXEDHNPQ-UHFFFAOYSA-N -1 3 368.820 4.201 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1cccc(Cl)c1Cl ZINC000592819847 1115267017 /nfs/dbraw/zinc/26/70/17/1115267017.db2.gz CIYNSLIRDZCHAE-ZDUSSCGKSA-N -1 3 360.237 4.098 20 0 FIADHM CCn1c2ccccc2nc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000596755118 1115613024 /nfs/dbraw/zinc/61/30/24/1115613024.db2.gz GMCHXFXUOWUYOI-UHFFFAOYSA-N -1 3 361.854 4.146 20 0 FIADHM COC(=O)c1oc(C(=O)[N-]c2ccccc2SCC(F)(F)F)cc1C ZINC000598998818 1115775881 /nfs/dbraw/zinc/77/58/81/1115775881.db2.gz IBGATJFONCBWBN-UHFFFAOYSA-N -1 3 373.352 4.281 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(OC2CCCCC2)c1 ZINC000606365064 1115938863 /nfs/dbraw/zinc/93/88/63/1115938863.db2.gz KHCPJKCDAORIPD-UHFFFAOYSA-N -1 3 352.394 4.029 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000606537229 1115953962 /nfs/dbraw/zinc/95/39/62/1115953962.db2.gz FSOSPTJYUASRMN-CHWSQXEVSA-N -1 3 354.208 4.258 20 0 FIADHM Cc1ccc(-c2ncc(C(=O)NCc3ccc([O-])c(F)c3)s2)c(C)c1 ZINC000606536998 1115954061 /nfs/dbraw/zinc/95/40/61/1115954061.db2.gz QNSIIELSBYIZCD-UHFFFAOYSA-N -1 3 356.422 4.202 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000606624992 1115957162 /nfs/dbraw/zinc/95/71/62/1115957162.db2.gz POBURRVGJXXWQN-FQEVSTJZSA-N -1 3 364.420 4.315 20 0 FIADHM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000607030685 1115993925 /nfs/dbraw/zinc/99/39/25/1115993925.db2.gz UVAASKDCJHKZTI-UHFFFAOYSA-N -1 3 361.507 4.202 20 0 FIADHM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000607331111 1116019505 /nfs/dbraw/zinc/01/95/05/1116019505.db2.gz SMEBWACTZSJFET-UHFFFAOYSA-N -1 3 355.415 4.288 20 0 FIADHM CCC[C@@H]1[C@@H](C)CCCN1Cn1c(Cc2cccs2)n[n-]c1=S ZINC000173385949 1116055983 /nfs/dbraw/zinc/05/59/83/1116055983.db2.gz VXWDACPAKZYPPX-DZGCQCFKSA-N -1 3 350.557 4.451 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000533965465 1116063007 /nfs/dbraw/zinc/06/30/07/1116063007.db2.gz WKVCBOUXMBFMMS-NXEZZACHSA-N -1 3 366.177 4.462 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1SCCc2ccccc21 ZINC000608111264 1116082693 /nfs/dbraw/zinc/08/26/93/1116082693.db2.gz OEEYDBRXDBDICQ-OAHLLOKOSA-N -1 3 364.264 4.124 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)c(C)c1 ZINC000608955596 1116140036 /nfs/dbraw/zinc/14/00/36/1116140036.db2.gz CDIWRJPBKVMWLE-UHFFFAOYSA-N -1 3 351.493 4.058 20 0 FIADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000609016086 1116140634 /nfs/dbraw/zinc/14/06/34/1116140634.db2.gz VLYYJZUEHDAEEG-UHFFFAOYSA-N -1 3 361.532 4.272 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2ccc(F)cc2F)CCOCC1 ZINC000534181157 1116167159 /nfs/dbraw/zinc/16/71/59/1116167159.db2.gz GQWAXYGTZMZSHR-UHFFFAOYSA-N -1 3 367.779 4.011 20 0 FIADHM O=C1c2ccccc2N[C@@H](c2ccc([O-])c(F)c2)N1c1ccc(F)cc1 ZINC000534423968 1116199910 /nfs/dbraw/zinc/19/99/10/1116199910.db2.gz LQIQXVBPQFHLEG-LJQANCHMSA-N -1 3 352.340 4.442 20 0 FIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000534757809 1116235310 /nfs/dbraw/zinc/23/53/10/1116235310.db2.gz BHGUZGJHLGYJTH-UHFFFAOYSA-N -1 3 371.506 4.424 20 0 FIADHM Cc1ccc2cc(C(=O)Nc3cc(Br)ccc3[O-])ccc2n1 ZINC000535413362 1116305157 /nfs/dbraw/zinc/30/51/57/1116305157.db2.gz KEFZKPRTZLGUQF-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1cccs1 ZINC000462500219 1116363384 /nfs/dbraw/zinc/36/33/84/1116363384.db2.gz KOFLMTPYNIBQKD-JTQLQIEISA-N -1 3 364.319 4.212 20 0 FIADHM CCCOc1ccc(Br)cc1C[S@](=O)c1ccc([O-])cc1 ZINC000462526279 1116366639 /nfs/dbraw/zinc/36/66/39/1116366639.db2.gz DRSUJXCYJZXTOB-NRFANRHFSA-N -1 3 369.280 4.251 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c1Cl ZINC000669844030 1116381846 /nfs/dbraw/zinc/38/18/46/1116381846.db2.gz QRNHNNFDTGMRKT-VIFPVBQESA-N -1 3 350.292 4.403 20 0 FIADHM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1c(Cl)cccc1Cl ZINC000462677867 1116389687 /nfs/dbraw/zinc/38/96/87/1116389687.db2.gz MAFGRGIPVQVSDC-UHFFFAOYSA-N -1 3 366.216 4.410 20 0 FIADHM c1csc(CN2CCC[C@@H](CN=c3nc(-c4ccccc4)[n-]s3)C2)c1 ZINC000462797267 1117769229 /nfs/dbraw/zinc/76/92/29/1117769229.db2.gz CPINXHZVIUIEGG-HNNXBMFYSA-N -1 3 370.547 4.013 20 0 FIADHM Cc1oc2ncnc([N-]C(=O)c3c(F)cc(C(F)(F)F)cc3F)c2c1C ZINC000463262751 1118058905 /nfs/dbraw/zinc/05/89/05/1118058905.db2.gz QTQSDPJCIPIFHQ-UHFFFAOYSA-N -1 3 371.265 4.389 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(Cc2ccccc2)c1 ZINC000541032417 1118361231 /nfs/dbraw/zinc/36/12/31/1118361231.db2.gz XBDWJSXPHVGKRX-UHFFFAOYSA-N -1 3 371.234 4.257 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)CC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000541262533 1118445121 /nfs/dbraw/zinc/44/51/21/1118445121.db2.gz MUWRDZURNFPVQY-ZDUSSCGKSA-N -1 3 354.454 4.058 20 0 FIADHM O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000465262206 1118906457 /nfs/dbraw/zinc/90/64/57/1118906457.db2.gz PXBCJAFSEQBYCB-OAQYLSRUSA-N -1 3 364.420 4.329 20 0 FIADHM Cc1cc2occ(CC(=O)N=c3cc(-c4cccnc4)[n-][nH]3)c2cc1C(C)C ZINC000492253870 1119059136 /nfs/dbraw/zinc/05/91/36/1119059136.db2.gz RKRRXXUYHMWDSS-UHFFFAOYSA-N -1 3 374.444 4.253 20 0 FIADHM CC(C)C[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000174192775 1119101197 /nfs/dbraw/zinc/10/11/97/1119101197.db2.gz RMCHECLQEUOXNM-CYBMUJFWSA-N -1 3 357.479 4.113 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccccc1OC(F)F ZINC000176728018 1119290885 /nfs/dbraw/zinc/29/08/85/1119290885.db2.gz GCWFCGUPQWTDAL-UHFFFAOYSA-N -1 3 369.723 4.020 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000176924569 1119303680 /nfs/dbraw/zinc/30/36/80/1119303680.db2.gz JAQKNNUUHRSQRH-UHFFFAOYSA-N -1 3 365.867 4.105 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC(C)(C)Cc4ccccc43)c[n-]c12 ZINC000646757207 1119317031 /nfs/dbraw/zinc/31/70/31/1119317031.db2.gz HYPWKOXJHQQUBR-UHFFFAOYSA-N -1 3 364.420 4.205 20 0 FIADHM Cn1c2ccccc2nc1[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000185507103 1119667931 /nfs/dbraw/zinc/66/79/31/1119667931.db2.gz DKJIMTBRRAARSO-OAQYLSRUSA-N -1 3 361.420 4.297 20 0 FIADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000494323122 1119832607 /nfs/dbraw/zinc/83/26/07/1119832607.db2.gz PDJGDMVQCGKYOW-MRVPVSSYSA-N -1 3 364.216 4.393 20 0 FIADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc(Cl)ncc1Cl ZINC000153095279 1119908337 /nfs/dbraw/zinc/90/83/37/1119908337.db2.gz KMLAHAPTSNGOHW-UHFFFAOYSA-N -1 3 365.245 4.083 20 0 FIADHM Cc1ccc(-c2nc(-c3ccnc(OCc4ccccc4)c3)no2)c([O-])c1 ZINC000761694329 1120236916 /nfs/dbraw/zinc/23/69/16/1120236916.db2.gz ZIVIEXVDKDHWOE-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM O=C(OCc1coc(-c2cccc(Cl)c2)n1)c1cc(-c2ccco2)[n-]n1 ZINC000914627520 1120434244 /nfs/dbraw/zinc/43/42/44/1120434244.db2.gz OWZCCWZEQGZSTR-UHFFFAOYSA-N -1 3 369.764 4.335 20 0 FIADHM O=C(OCc1coc(-c2cccc(Cl)c2)n1)c1cc(-c2ccco2)n[n-]1 ZINC000914627520 1120434250 /nfs/dbraw/zinc/43/42/50/1120434250.db2.gz OWZCCWZEQGZSTR-UHFFFAOYSA-N -1 3 369.764 4.335 20 0 FIADHM CCN(Cc1noc(-c2cc3ccccc3cc2[O-])n1)C(=O)OC(C)(C)C ZINC000761939393 1120590121 /nfs/dbraw/zinc/59/01/21/1120590121.db2.gz FTBACHXCKABCDH-UHFFFAOYSA-N -1 3 369.421 4.352 20 0 FIADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1ccc(Br)cc1 ZINC000914891146 1120628004 /nfs/dbraw/zinc/62/80/04/1120628004.db2.gz YUOKXEFHXZPKSI-UHFFFAOYSA-N -1 3 364.220 4.032 20 0 FIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000914891885 1120630156 /nfs/dbraw/zinc/63/01/56/1120630156.db2.gz QWGRMLXTNKEHRP-OLZOCXBDSA-N -1 3 368.458 4.143 20 0 FIADHM CCOC(=O)C(=C([O-])CSc1ccc(C)cc1C)c1nc(C)cs1 ZINC000495331434 1120672522 /nfs/dbraw/zinc/67/25/22/1120672522.db2.gz IBDMETZXFRKUPT-INIZCTEOSA-N -1 3 363.504 4.076 20 0 FIADHM O=C(/C=C/Sc1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000915198809 1120865730 /nfs/dbraw/zinc/86/57/30/1120865730.db2.gz QBBNGBAPBIWOHM-CMDGGOBGSA-N -1 3 350.237 4.399 20 0 FIADHM O=C([N-]OCc1ccccc1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000915320697 1120922902 /nfs/dbraw/zinc/92/29/02/1120922902.db2.gz WDJGCSFOUVRZOR-UHFFFAOYSA-N -1 3 357.410 4.126 20 0 FIADHM O=S(=O)([N-]CCc1cccc(Cl)c1)c1c(Cl)cccc1Cl ZINC000018940919 1121098077 /nfs/dbraw/zinc/09/80/77/1121098077.db2.gz QQHNZZAVKCRTJL-UHFFFAOYSA-N -1 3 364.681 4.168 20 0 FIADHM O=C(NCC(c1ccccc1)c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000042018000 1121147924 /nfs/dbraw/zinc/14/79/24/1121147924.db2.gz XICBRQSEPJGICS-UHFFFAOYSA-N -1 3 368.436 4.090 20 0 FIADHM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc([O-])c3ccccc3c1)C2 ZINC000461452953 1121225763 /nfs/dbraw/zinc/22/57/63/1121225763.db2.gz ZFTYXPGPQYQTPW-UHFFFAOYSA-N -1 3 359.425 4.242 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000472524484 1121256574 /nfs/dbraw/zinc/25/65/74/1121256574.db2.gz SVFVGQUDDFPNRW-FQEVSTJZSA-N -1 3 361.441 4.019 20 0 FIADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000055616616 1121261733 /nfs/dbraw/zinc/26/17/33/1121261733.db2.gz IEPLVAZZCKCOKG-UHFFFAOYSA-N -1 3 360.479 4.034 20 0 FIADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1C(F)(F)F ZINC000055672673 1121263732 /nfs/dbraw/zinc/26/37/32/1121263732.db2.gz VRRIJWKVULRAES-NSHDSACASA-N -1 3 360.335 4.038 20 0 FIADHM CC(C)(C)OC(=O)NCCCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000188841310 1121322437 /nfs/dbraw/zinc/32/24/37/1121322437.db2.gz MPZHTBPGHDXPKS-UHFFFAOYSA-N -1 3 356.850 4.069 20 0 FIADHM CC(C)Cn1ccc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc21 ZINC000060319087 1121463876 /nfs/dbraw/zinc/46/38/76/1121463876.db2.gz IYHGRVVDPHQBPY-UHFFFAOYSA-N -1 3 359.429 4.391 20 0 FIADHM CC[C@H](C)Cc1c(C)sc2[n-]c(COc3ccc(OC)cc3)nc(=O)c12 ZINC000063579790 1121570277 /nfs/dbraw/zinc/57/02/77/1121570277.db2.gz KBRHNFHFGVYTHH-LBPRGKRZSA-N -1 3 372.490 4.469 20 0 FIADHM Cc1ccc(-c2nc(C(=O)[N-]c3nnc(C4CC4)s3)cs2)c(C)c1 ZINC000063890707 1121593071 /nfs/dbraw/zinc/59/30/71/1121593071.db2.gz URMCQUIVQZDYKZ-UHFFFAOYSA-N -1 3 356.476 4.408 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000064342924 1121758141 /nfs/dbraw/zinc/75/81/41/1121758141.db2.gz WHRHMZYUIJTJTN-UHFFFAOYSA-N -1 3 355.397 4.151 20 0 FIADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nn1-c1ccccc1 ZINC000125357212 1121772315 /nfs/dbraw/zinc/77/23/15/1121772315.db2.gz JSOBPIZTJBGXQW-UHFFFAOYSA-N -1 3 361.323 4.157 20 0 FIADHM CN(Cc1ccsc1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000127188640 1122062014 /nfs/dbraw/zinc/06/20/14/1122062014.db2.gz OIIPFMYJARZXMW-UHFFFAOYSA-N -1 3 372.515 4.181 20 0 FIADHM O=c1nc(CN2CCCC[C@@H]2CCc2ccccc2)[n-]c2ccsc21 ZINC000090010445 1122115897 /nfs/dbraw/zinc/11/58/97/1122115897.db2.gz FSZAGPBSSFRBIS-MRXNPFEDSA-N -1 3 353.491 4.384 20 0 FIADHM C[C@H]1CCC[C@H](OCCCCCC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000128013558 1122179004 /nfs/dbraw/zinc/17/90/04/1122179004.db2.gz FGIMYJGYUDHLSY-RDJZCZTQSA-N -1 3 351.462 4.303 20 0 FIADHM Cc1ccc(-n2ccnc2SCC(=O)Nc2cccc([O-])c2F)cc1C ZINC000128260301 1122213297 /nfs/dbraw/zinc/21/32/97/1122213297.db2.gz OIUICBMAVSXPAF-UHFFFAOYSA-N -1 3 371.437 4.065 20 0 FIADHM CC(=O)n1ncc2ccc(Nc3cc(Br)cc(F)c3[O-])cc21 ZINC001212423404 1122221704 /nfs/dbraw/zinc/22/17/04/1122221704.db2.gz ZUZGTZDZMNQOOU-UHFFFAOYSA-N -1 3 364.174 4.047 20 0 FIADHM O=C(CCCOc1cccc(Br)c1)Nc1cccc([O-])c1F ZINC000128978889 1122481812 /nfs/dbraw/zinc/48/18/12/1122481812.db2.gz IYWLFHLIPRSRMO-UHFFFAOYSA-N -1 3 368.202 4.092 20 0 FIADHM O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc([O-])c1F ZINC000129253308 1122561150 /nfs/dbraw/zinc/56/11/50/1122561150.db2.gz TVZLMEZPKOLOJA-UHFFFAOYSA-N -1 3 362.813 4.489 20 0 FIADHM CCCCCCc1ccc(-c2csc(NC(=O)c3cnn[n-]3)n2)cc1 ZINC000918304806 1122609706 /nfs/dbraw/zinc/60/97/06/1122609706.db2.gz LTAKIWDKVSJKOA-UHFFFAOYSA-N -1 3 355.467 4.303 20 0 FIADHM CCCCCCc1ccc(-c2csc(NC(=O)c3c[n-]nn3)n2)cc1 ZINC000918304806 1122609712 /nfs/dbraw/zinc/60/97/12/1122609712.db2.gz LTAKIWDKVSJKOA-UHFFFAOYSA-N -1 3 355.467 4.303 20 0 FIADHM CCCCCCc1ccc(-c2csc(NC(=O)c3cn[n-]n3)n2)cc1 ZINC000918304806 1122609716 /nfs/dbraw/zinc/60/97/16/1122609716.db2.gz LTAKIWDKVSJKOA-UHFFFAOYSA-N -1 3 355.467 4.303 20 0 FIADHM CC(=O)c1ccc(OCc2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)cc1 ZINC000069981755 1122703198 /nfs/dbraw/zinc/70/31/98/1122703198.db2.gz JWIMBDQPMVQVSU-UHFFFAOYSA-N -1 3 356.447 4.064 20 0 FIADHM COCc1cccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000556321947 1122802225 /nfs/dbraw/zinc/80/22/25/1122802225.db2.gz RTLORBISYRCZKF-QGZVFWFLSA-N -1 3 367.367 4.157 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4cccs4)n3)n[n-]2)o1 ZINC000919327430 1122952731 /nfs/dbraw/zinc/95/27/31/1122952731.db2.gz YVHRXNDORQXKOW-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4cccs4)n3)[n-]n2)o1 ZINC000919327430 1122952733 /nfs/dbraw/zinc/95/27/33/1122952733.db2.gz YVHRXNDORQXKOW-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000131467030 1123081563 /nfs/dbraw/zinc/08/15/63/1123081563.db2.gz YEOQNMFRGVDOMY-UHFFFAOYSA-N -1 3 370.927 4.107 20 0 FIADHM Cc1ccsc1-c1nsc([N-]C(=O)c2ncccc2C(F)(F)F)n1 ZINC000131531572 1123108090 /nfs/dbraw/zinc/10/80/90/1123108090.db2.gz WFRUJBLYVZIRNI-UHFFFAOYSA-N -1 3 370.381 4.241 20 0 FIADHM CCCc1c(NC(=O)c2cc([O-])ccc2Cl)cnn1-c1ccccc1 ZINC000499029724 1123141289 /nfs/dbraw/zinc/14/12/89/1123141289.db2.gz MEABEMOUSAZODP-UHFFFAOYSA-N -1 3 355.825 4.436 20 0 FIADHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1-c1ccccn1 ZINC000132283975 1123239111 /nfs/dbraw/zinc/23/91/11/1123239111.db2.gz CINHQFNWPGDXCT-UHFFFAOYSA-N -1 3 354.793 4.369 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(F)ccc3F)nc(=O)c2c1C ZINC000919898761 1123249042 /nfs/dbraw/zinc/24/90/42/1123249042.db2.gz LNDJKYMIXKNRPB-MRVPVSSYSA-N -1 3 364.373 4.210 20 0 FIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccc(CN2CCCCC2)o1 ZINC001127557903 1123713223 /nfs/dbraw/zinc/71/32/23/1123713223.db2.gz ZBVWIKQYRMFYMW-UHFFFAOYSA-N -1 3 354.784 4.449 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c1[O-] ZINC000078282225 1123758500 /nfs/dbraw/zinc/75/85/00/1123758500.db2.gz BXYGFCDFGNRRSY-UHFFFAOYSA-N -1 3 366.442 4.340 20 0 FIADHM CSc1nsc([N-]C(=O)c2sc(-c3cccs3)nc2C)n1 ZINC000078427607 1123773260 /nfs/dbraw/zinc/77/32/60/1123773260.db2.gz IRGGPVHNXHTUNL-UHFFFAOYSA-N -1 3 354.507 4.006 20 0 FIADHM O=C([N-]c1ccccc1SC(F)F)c1csc(-c2cnccn2)n1 ZINC000170840387 1123814659 /nfs/dbraw/zinc/81/46/59/1123814659.db2.gz SGYGJRBXJPKARN-UHFFFAOYSA-N -1 3 364.402 4.167 20 0 FIADHM COc1cc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc(OC)c1[O-] ZINC000136725193 1123929550 /nfs/dbraw/zinc/92/95/50/1123929550.db2.gz HDDFQQUKINUGNJ-HNNXBMFYSA-N -1 3 361.825 4.040 20 0 FIADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)cc(OC)c1[O-] ZINC000137085797 1123961264 /nfs/dbraw/zinc/96/12/64/1123961264.db2.gz XBSPQKFHKDKESE-OAHLLOKOSA-N -1 3 361.825 4.040 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1CSC1=NCCS1 ZINC000179643829 1124020666 /nfs/dbraw/zinc/02/06/66/1124020666.db2.gz KXYBLKOQHSEGHS-UHFFFAOYSA-N -1 3 362.451 4.120 20 0 FIADHM O=C([N-]c1ccccc1SCC(F)(F)F)c1noc2c1CCCC2 ZINC000056454688 1124149605 /nfs/dbraw/zinc/14/96/05/1124149605.db2.gz WXHQQVQLGUSINB-UHFFFAOYSA-N -1 3 356.369 4.460 20 0 FIADHM CC(C)CCc1nnc([N-]C(=O)c2sccc2Br)s1 ZINC000617097197 1124444237 /nfs/dbraw/zinc/44/42/37/1124444237.db2.gz KZFHFSWLXKXPSR-UHFFFAOYSA-N -1 3 360.302 4.203 20 0 FIADHM COc1cccc2cc(C(=O)[N-]c3nc(-c4ccsc4)ns3)oc21 ZINC000109111100 1124537058 /nfs/dbraw/zinc/53/70/58/1124537058.db2.gz UTFXNOKWPVGLCA-UHFFFAOYSA-N -1 3 357.416 4.274 20 0 FIADHM CC[C@H](c1ccc(Br)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405366719 1124540476 /nfs/dbraw/zinc/54/04/76/1124540476.db2.gz VKVXIXSQERQNCJ-HUUCEWRRSA-N -1 3 352.272 4.087 20 0 FIADHM CCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1cccc(Cl)c1 ZINC000672105933 1124572321 /nfs/dbraw/zinc/57/23/21/1124572321.db2.gz NCSZXUPQFYQUEK-UHFFFAOYSA-N -1 3 358.800 4.296 20 0 FIADHM O=c1[n-]c(CNC2(c3ccc(F)cc3)CCC2)nc2c3ccccc3oc21 ZINC000624772723 1124579731 /nfs/dbraw/zinc/57/97/31/1124579731.db2.gz FSYUSQCRPRCCNS-UHFFFAOYSA-N -1 3 363.392 4.390 20 0 FIADHM O=C(N[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000672159441 1124816667 /nfs/dbraw/zinc/81/66/67/1124816667.db2.gz WHYSRXZJNIAMHN-ZFWWWQNUSA-N -1 3 374.366 4.043 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)c3ccc(OC(C)C)cc3)c[n-]c12 ZINC000672253738 1124929344 /nfs/dbraw/zinc/92/93/44/1124929344.db2.gz IYKQPVIOKHZOGT-UHFFFAOYSA-N -1 3 368.408 4.039 20 0 FIADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(Cl)c(Br)c1 ZINC000250902769 1124963919 /nfs/dbraw/zinc/96/39/19/1124963919.db2.gz TXMFXGFWVQMSIZ-DFBGVHRSSA-N -1 3 372.690 4.320 20 0 FIADHM COCC1(C2CCC2)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000617985138 1124976572 /nfs/dbraw/zinc/97/65/72/1124976572.db2.gz WRSXAXMXNZHRSG-UHFFFAOYSA-N -1 3 367.445 4.073 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2ccn(C(F)F)c2c1 ZINC000617990330 1124984113 /nfs/dbraw/zinc/98/41/13/1124984113.db2.gz COAFLAAQTJNLNG-UHFFFAOYSA-N -1 3 374.391 4.390 20 0 FIADHM COc1cccc2cc(C(=O)[N-]c3nc(-c4ccccc4)ns3)oc21 ZINC000077649626 1125241772 /nfs/dbraw/zinc/24/17/72/1125241772.db2.gz KXCGQHQTCVVLIF-UHFFFAOYSA-N -1 3 351.387 4.212 20 0 FIADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1-c1ccc(Br)cc1 ZINC001212484063 1125360168 /nfs/dbraw/zinc/36/01/68/1125360168.db2.gz ICELQIAARUBFJS-UHFFFAOYSA-N -1 3 366.165 4.362 20 0 FIADHM Cc1cc(Cl)cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000763520701 1125423547 /nfs/dbraw/zinc/42/35/47/1125423547.db2.gz GZLRRFPJUIAPQY-UHFFFAOYSA-N -1 3 354.793 4.339 20 0 FIADHM CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1C ZINC000017361002 204655140 /nfs/dbraw/zinc/65/51/40/204655140.db2.gz QGJDQAGYJQSBIW-UHFFFAOYSA-N -1 3 358.438 4.064 20 0 FIADHM C[C@H](c1cc(F)ccc1F)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053126552 205190650 /nfs/dbraw/zinc/19/06/50/205190650.db2.gz SYNXRLCARBYDJM-LLVKDONJSA-N -1 3 369.371 4.141 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccsc3)cc2)cc1 ZINC000057672472 205244551 /nfs/dbraw/zinc/24/45/51/205244551.db2.gz SBCSFEWSAWIFEL-UHFFFAOYSA-N -1 3 372.471 4.110 20 0 FIADHM COC(=O)c1scc(C)c1[N-]C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000186919136 568010141 /nfs/dbraw/zinc/01/01/41/568010141.db2.gz HFGIWTCGCKYQFV-UHFFFAOYSA-N -1 3 362.432 4.120 20 0 FIADHM COC(=O)c1scc(C)c1[N-]C(=O)c1ccc(Oc2ccccc2)o1 ZINC000186921301 568011398 /nfs/dbraw/zinc/01/13/98/568011398.db2.gz XOZJBPDHZOIRBX-UHFFFAOYSA-N -1 3 357.387 4.481 20 0 FIADHM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(F)c(Cl)c1 ZINC000603166959 568070396 /nfs/dbraw/zinc/07/03/96/568070396.db2.gz RDPVKFIWDXCPPU-UHFFFAOYSA-N -1 3 355.818 4.069 20 0 FIADHM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c1-c1ccccc1 ZINC000603546917 568118017 /nfs/dbraw/zinc/11/80/17/568118017.db2.gz DUSZBTOJVMINDW-LBPRGKRZSA-N -1 3 373.815 4.006 20 0 FIADHM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)CCC)cc2)cc1 ZINC000303192237 568259302 /nfs/dbraw/zinc/25/93/02/568259302.db2.gz MNYXTZMSYQZCEF-UHFFFAOYSA-N -1 3 374.506 4.433 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccccc4)C[C@H]3C)nc2)n1 ZINC000604381241 568286736 /nfs/dbraw/zinc/28/67/36/568286736.db2.gz ZGYRLUMKIVWMHD-QAPCUYQASA-N -1 3 360.461 4.189 20 0 FIADHM Clc1ccc(OCCSc2n[n-]c(-c3ccccn3)n2)c(Cl)c1 ZINC000604932814 568395255 /nfs/dbraw/zinc/39/52/55/568395255.db2.gz QCZZFBNVZXWWDC-UHFFFAOYSA-N -1 3 367.261 4.345 20 0 FIADHM CCc1c(NC(=O)c2cc([O-])c3ccccc3c2)n[nH]c1-c1ccncc1 ZINC000365401829 568625754 /nfs/dbraw/zinc/62/57/54/568625754.db2.gz HUCSVSYTTALUGL-UHFFFAOYSA-N -1 3 358.401 4.145 20 0 FIADHM Clc1cc(-c2nc(-c3cccc(Br)c3Cl)no2)[n-]n1 ZINC001213500605 1079584403 /nfs/dbraw/zinc/58/44/03/1079584403.db2.gz KYFJYBNTQQYRAA-UHFFFAOYSA-N -1 3 359.998 4.196 20 0 FIADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616327806 1079592275 /nfs/dbraw/zinc/59/22/75/1079592275.db2.gz CCJUZKXBQZEXEE-DYESRHJHSA-N -1 3 360.457 4.327 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C[C@@H](C)C3CC3)cc2)cc1 ZINC000063664046 1079652241 /nfs/dbraw/zinc/65/22/41/1079652241.db2.gz JKXJCXSDQVKHRK-OAHLLOKOSA-N -1 3 372.490 4.171 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000205375565 1079770663 /nfs/dbraw/zinc/77/06/63/1079770663.db2.gz RHYNAZCSJWTTJX-UHFFFAOYSA-N -1 3 360.129 4.426 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC001625788928 1079782583 /nfs/dbraw/zinc/78/25/83/1079782583.db2.gz PGAIZGKUUHGLGU-UHFFFAOYSA-N -1 3 370.449 4.232 20 0 FIADHM Cc1ccc(-c2nc(CNC[C@@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC000683171550 1079803753 /nfs/dbraw/zinc/80/37/53/1079803753.db2.gz NGHQSQSUMQHHCW-GOSISDBHSA-N -1 3 366.486 4.152 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc3cc(C)c(C)cc3o2)cc1 ZINC000683172284 1079806684 /nfs/dbraw/zinc/80/66/84/1079806684.db2.gz WLVJWNRRQVMNQJ-IBGZPJMESA-N -1 3 353.418 4.364 20 0 FIADHM CSc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000683172815 1079808022 /nfs/dbraw/zinc/80/80/22/1079808022.db2.gz DKWCQIPHTFMTRG-HNNXBMFYSA-N -1 3 366.280 4.087 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)s1 ZINC000683186030 1079865456 /nfs/dbraw/zinc/86/54/56/1079865456.db2.gz HDNKOEKKMDFQIR-UHFFFAOYSA-N -1 3 365.327 4.430 20 0 FIADHM COc1ccc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)cc1OC ZINC000109037495 1079966889 /nfs/dbraw/zinc/96/68/89/1079966889.db2.gz HRRNHDAOTVAGFH-UHFFFAOYSA-N -1 3 362.385 4.203 20 0 FIADHM CC(C)[C@@H]1CCc2nc([N-]C(=O)c3conc3C(F)(F)F)sc2C1 ZINC000890595681 1080036729 /nfs/dbraw/zinc/03/67/29/1080036729.db2.gz MKQKRBRBHVPQTK-MRVPVSSYSA-N -1 3 359.373 4.163 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000579885879 1080652903 /nfs/dbraw/zinc/65/29/03/1080652903.db2.gz OQQNLAWHTQRPPY-LLVKDONJSA-N -1 3 367.323 4.020 20 0 FIADHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001625859660 1080712331 /nfs/dbraw/zinc/71/23/31/1080712331.db2.gz LZXZWRIZAABKIS-VGSWGCGISA-N -1 3 367.489 4.308 20 0 FIADHM COc1ccccc1-c1nc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000652499545 1080834557 /nfs/dbraw/zinc/83/45/57/1080834557.db2.gz AZPMSIQDVMOYPI-AWEZNQCLSA-N -1 3 374.506 4.142 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000109813345 1080933067 /nfs/dbraw/zinc/93/30/67/1080933067.db2.gz MDRGMORYJRJZHR-UHFFFAOYSA-N -1 3 353.340 4.125 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000063447262 1081084770 /nfs/dbraw/zinc/08/47/70/1081084770.db2.gz CSNBCFDTLMGHCN-UHFFFAOYSA-N -1 3 364.327 4.057 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)sc1C ZINC000683556239 1081088917 /nfs/dbraw/zinc/08/89/17/1081088917.db2.gz BPEBWFFDUIZKLT-UHFFFAOYSA-N -1 3 364.883 4.108 20 0 FIADHM CCOC(=O)c1nc(Cl)c(Cl)nc1Nc1cccc(Cl)c1[O-] ZINC001210218119 1081191697 /nfs/dbraw/zinc/19/16/97/1081191697.db2.gz FIZCEBRLXFQHCC-UHFFFAOYSA-N -1 3 362.600 4.063 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2nc3cc(Cl)c(Cl)cc3n2C)c1 ZINC001648845130 1081287150 /nfs/dbraw/zinc/28/71/50/1081287150.db2.gz HOHSFSREEAPBGI-UHFFFAOYSA-N -1 3 364.232 4.400 20 0 FIADHM CCSc1ccc(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c(Br)c1 ZINC000634693728 1081616782 /nfs/dbraw/zinc/61/67/82/1081616782.db2.gz VGBZDSOTIWFGPT-BDJLRTHQSA-N -1 3 372.328 4.104 20 0 FIADHM Cc1ccc([C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(F)(F)F)o1 ZINC000655326746 1081774705 /nfs/dbraw/zinc/77/47/05/1081774705.db2.gz OYSXRKQHYVMEHQ-INIZCTEOSA-N -1 3 359.319 4.175 20 0 FIADHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000610431436 1081864053 /nfs/dbraw/zinc/86/40/53/1081864053.db2.gz NVULUMAZUGDEDD-UHFFFAOYSA-N -1 3 372.393 4.319 20 0 FIADHM Cc1cc(OCc2ccccc2)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000160473147 1081903390 /nfs/dbraw/zinc/90/33/90/1081903390.db2.gz TWSISDAWSWBUAX-LJQANCHMSA-N -1 3 356.422 4.154 20 0 FIADHM Cc1cc(OCc2ccccc2)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000160473147 1081903396 /nfs/dbraw/zinc/90/33/96/1081903396.db2.gz TWSISDAWSWBUAX-LJQANCHMSA-N -1 3 356.422 4.154 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C3CCC(F)(F)CC3)nc2)n1 ZINC000656229372 1081968325 /nfs/dbraw/zinc/96/83/25/1081968325.db2.gz UWCGSSHCZCAEPU-GFCCVEGCSA-N -1 3 362.424 4.433 20 0 FIADHM O=C(Cc1cccc(C(F)F)c1)Nc1ccc(Br)cc1[O-] ZINC000580609870 1082042992 /nfs/dbraw/zinc/04/29/92/1082042992.db2.gz VYZKHIBSLFCSMF-UHFFFAOYSA-N -1 3 356.166 4.274 20 0 FIADHM CCOc1cc(C(=O)[N-]c2nc3c(s2)C[C@H](c2ccccc2)CC3)on1 ZINC001125471906 1082126341 /nfs/dbraw/zinc/12/63/41/1082126341.db2.gz YABQUIXPJYNVGZ-CYBMUJFWSA-N -1 3 369.446 4.055 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000580784330 1082137068 /nfs/dbraw/zinc/13/70/68/1082137068.db2.gz UPNLPUFAFZNZDP-LVMGUKCRSA-N -1 3 363.461 4.158 20 0 FIADHM Cc1ccc(CC(=O)[N-]OCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000156844546 1082345173 /nfs/dbraw/zinc/34/51/73/1082345173.db2.gz AZXQBPRBMUVLEO-UHFFFAOYSA-N -1 3 356.809 4.094 20 0 FIADHM COc1cccc([C@]2(C)CCN(Cc3cccc(C(=O)[O-])c3Cl)C2)c1 ZINC000656765459 1082757920 /nfs/dbraw/zinc/75/79/20/1082757920.db2.gz MGGAAXXNKQTQHA-HXUWFJFHSA-N -1 3 359.853 4.210 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2Br)[C@H]2CCCC[C@@H]12 ZINC000656765214 1082758060 /nfs/dbraw/zinc/75/80/60/1082758060.db2.gz MLXPBLLHBWZJQC-LZWOXQAQSA-N -1 3 370.262 4.054 20 0 FIADHM COc1cccc([C@@]2(C)CCN(Cc3cc(C(=O)[O-])ccc3Cl)C2)c1 ZINC000656766987 1082759818 /nfs/dbraw/zinc/75/98/18/1082759818.db2.gz ZTBVAPFDHFORJG-FQEVSTJZSA-N -1 3 359.853 4.210 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656768640 1082760173 /nfs/dbraw/zinc/76/01/73/1082760173.db2.gz LXXUSOUFSGBWIL-VUCTXSBTSA-N -1 3 372.292 4.400 20 0 FIADHM Cc1oc(-c2cccs2)nc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656769165 1082760954 /nfs/dbraw/zinc/76/09/54/1082760954.db2.gz YREXQTKQWXOCET-DZKIICNBSA-N -1 3 360.479 4.177 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H]3CCC[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000328811764 1082839052 /nfs/dbraw/zinc/83/90/52/1082839052.db2.gz ORDSMLNUJKHSLY-GUYCJALGSA-N -1 3 354.454 4.200 20 0 FIADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(Oc2ccccc2)cc1 ZINC000471816133 1083037538 /nfs/dbraw/zinc/03/75/38/1083037538.db2.gz MDTZMBHWULKGDO-OAHLLOKOSA-N -1 3 363.417 4.140 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000471838777 1083088450 /nfs/dbraw/zinc/08/84/50/1083088450.db2.gz WDPUNPOKAVWQOO-GOSISDBHSA-N -1 3 359.857 4.171 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3o2)c(F)c1F ZINC001211523686 1083092343 /nfs/dbraw/zinc/09/23/43/1083092343.db2.gz ILCHOBIJTDVZNY-LLVKDONJSA-N -1 3 351.374 4.059 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)ccc1OC(C)C ZINC000535656098 1083266599 /nfs/dbraw/zinc/26/65/99/1083266599.db2.gz RIIJSKVIIABDDW-UHFFFAOYSA-N -1 3 356.447 4.131 20 0 FIADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cnc(C3CC3)s2)s1 ZINC000548417096 1083275341 /nfs/dbraw/zinc/27/53/41/1083275341.db2.gz SZPBEFWNNRRARI-UHFFFAOYSA-N -1 3 360.439 4.239 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000016123548 1083358169 /nfs/dbraw/zinc/35/81/69/1083358169.db2.gz NAZCPNCVKSYBNT-UHFFFAOYSA-N -1 3 369.723 4.179 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000610766326 1083467983 /nfs/dbraw/zinc/46/79/83/1083467983.db2.gz GDZTZTDSFISTSF-HNNXBMFYSA-N -1 3 361.482 4.100 20 0 FIADHM COc1cccc(CNCc2c(F)ccc([O-])c2F)c1OC1CCCC1 ZINC000510947416 1083530601 /nfs/dbraw/zinc/53/06/01/1083530601.db2.gz DKOOOBOTTCXYNJ-UHFFFAOYSA-N -1 3 363.404 4.290 20 0 FIADHM Cc1nc(C)c(CCC(=O)N[C@H]2CCCc3ccc(C(C)C)cc32)c(=O)[n-]1 ZINC000535673956 1083570888 /nfs/dbraw/zinc/57/08/88/1083570888.db2.gz DJYONBABWZOCAX-FQEVSTJZSA-N -1 3 367.493 4.049 20 0 FIADHM Cc1ccc(Oc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2)nn1 ZINC000685757960 1083645299 /nfs/dbraw/zinc/64/52/99/1083645299.db2.gz YGDWDLFJGIWJEA-UHFFFAOYSA-N -1 3 355.781 4.189 20 0 FIADHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000277325387 1084249739 /nfs/dbraw/zinc/24/97/39/1084249739.db2.gz CMZGVFBSUZQVDO-DEOSSOPVSA-N -1 3 365.882 4.345 20 0 FIADHM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cc(Br)ccc1[O-] ZINC000613029409 1084281887 /nfs/dbraw/zinc/28/18/87/1084281887.db2.gz WNFKHCMCZJDSAY-TZMCWYRMSA-N -1 3 360.198 4.309 20 0 FIADHM CCOC(=O)c1sc(SC)nc1[N-]c1c(Cl)ccnc1Cl ZINC001216300284 1084309596 /nfs/dbraw/zinc/30/95/96/1084309596.db2.gz HCILDBQOCOMUPB-UHFFFAOYSA-N -1 3 364.279 4.487 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc(Cl)cc1 ZINC000014254789 1084382886 /nfs/dbraw/zinc/38/28/86/1084382886.db2.gz GAAFXIYJYSSXJZ-UHFFFAOYSA-N -1 3 353.724 4.299 20 0 FIADHM O=C(Cc1cccc(C(F)F)c1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000448379228 1084394344 /nfs/dbraw/zinc/39/43/44/1084394344.db2.gz XEMCKUMPHYTZAU-UHFFFAOYSA-N -1 3 368.343 4.337 20 0 FIADHM O=c1cc(CN(CC2CCC2)CC(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC001167521707 1084439702 /nfs/dbraw/zinc/43/97/02/1084439702.db2.gz GWIIEHKUMMKQNC-UHFFFAOYSA-N -1 3 351.372 4.014 20 0 FIADHM O=C(Nc1ncccc1[O-])[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000544024487 1084575201 /nfs/dbraw/zinc/57/52/01/1084575201.db2.gz FNTVNDDUYIQMST-QWHCGFSZSA-N -1 3 351.431 4.085 20 0 FIADHM O=C([O-])c1ccccc1CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000582306461 1084851951 /nfs/dbraw/zinc/85/19/51/1084851951.db2.gz PWLOMVLHVYKUOB-UHFFFAOYSA-N -1 3 371.864 4.176 20 0 FIADHM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000582329968 1084876545 /nfs/dbraw/zinc/87/65/45/1084876545.db2.gz UIKCLGFLTPCAHQ-UHFFFAOYSA-N -1 3 360.841 4.074 20 0 FIADHM CCCc1ncc(C(=O)[N-]c2c(F)cc(Br)cc2F)s1 ZINC000175248784 1084908153 /nfs/dbraw/zinc/90/81/53/1084908153.db2.gz FCBFVOWQGWUVEA-UHFFFAOYSA-N -1 3 361.211 4.389 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1C ZINC000024432128 1084913592 /nfs/dbraw/zinc/91/35/92/1084913592.db2.gz PPAJZHLGQVYJHD-UHFFFAOYSA-N -1 3 360.479 4.089 20 0 FIADHM O=C([O-])[C@]1(NCc2ccc(Cl)c(Cl)c2)CCc2c1cccc2F ZINC000559981967 1084974833 /nfs/dbraw/zinc/97/48/33/1084974833.db2.gz WUOLDCLFJXMSFW-KRWDZBQOSA-N -1 3 354.208 4.148 20 0 FIADHM CCc1sc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1C ZINC000049301822 1085442431 /nfs/dbraw/zinc/44/24/31/1085442431.db2.gz AJYFXPPVAKNXLQ-UHFFFAOYSA-N -1 3 367.474 4.184 20 0 FIADHM CCSc1nnc([N-]C(=O)c2cc(Cl)c(F)cc2Cl)s1 ZINC000549536362 1085450259 /nfs/dbraw/zinc/45/02/59/1085450259.db2.gz XAPMCIXSXMWNPR-UHFFFAOYSA-N -1 3 352.243 4.348 20 0 FIADHM CCC(=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000728818285 1085494966 /nfs/dbraw/zinc/49/49/66/1085494966.db2.gz HYQBLJSIRSWING-JQIJEIRASA-N -1 3 359.429 4.177 20 0 FIADHM Cn1nc(Nc2cc(F)c([O-])c(F)c2)c2ccc(Br)cc21 ZINC001213371130 1085538971 /nfs/dbraw/zinc/53/89/71/1085538971.db2.gz WSFLNBYBWIWRLP-UHFFFAOYSA-N -1 3 354.154 4.063 20 0 FIADHM Cc1ccc(-c2nc(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)cs2)cc1 ZINC000327083224 1085649915 /nfs/dbraw/zinc/64/99/15/1085649915.db2.gz TXYLTDPHZSVETI-INIZCTEOSA-N -1 3 358.507 4.441 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC34CCC(CC3)CC4)cc2)cc(=O)[n-]1 ZINC000652151866 1085722488 /nfs/dbraw/zinc/72/24/88/1085722488.db2.gz YYMBZYUSQVGQKX-UHFFFAOYSA-N -1 3 352.438 4.002 20 0 FIADHM O=c1nc(CN2CCC[C@H](CCF)C2)[n-]c2scc(-c3ccco3)c21 ZINC000661691954 1085738388 /nfs/dbraw/zinc/73/83/88/1085738388.db2.gz JNRJGYFVSOTYBJ-GFCCVEGCSA-N -1 3 361.442 4.229 20 0 FIADHM CC(C)(C)c1nc(CSc2nnc([N-]c3ccccc3F)s2)no1 ZINC000028008947 1085750563 /nfs/dbraw/zinc/75/05/63/1085750563.db2.gz XFPBAVWMSCINET-UHFFFAOYSA-N -1 3 365.459 4.394 20 0 FIADHM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472266280 1085774784 /nfs/dbraw/zinc/77/47/84/1085774784.db2.gz VTYFUCWTPFDCCC-UHFFFAOYSA-N -1 3 357.450 4.176 20 0 FIADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc(Br)s1 ZINC000048706400 1085924949 /nfs/dbraw/zinc/92/49/49/1085924949.db2.gz BMIYFZCYYZQKOA-UHFFFAOYSA-N -1 3 372.294 4.343 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCc4ccccc43)c2)n1 ZINC000049303764 1086000946 /nfs/dbraw/zinc/00/09/46/1086000946.db2.gz KYJRTRNMOVPEGU-FQEVSTJZSA-N -1 3 373.456 4.058 20 0 FIADHM O=C([O-])[C@H]1CN(CCc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC000652469604 1086089861 /nfs/dbraw/zinc/08/98/61/1086089861.db2.gz ACYRDEGTMUDKPL-KRWDZBQOSA-N -1 3 350.245 4.220 20 0 FIADHM Cc1ccc2ncc(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2c1 ZINC000663154166 1086099578 /nfs/dbraw/zinc/09/95/78/1086099578.db2.gz IEHGJDWWSYZNJU-UHFFFAOYSA-N -1 3 360.457 4.344 20 0 FIADHM CC[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000652504934 1086130017 /nfs/dbraw/zinc/13/00/17/1086130017.db2.gz UJKASBVLXJFAIS-DOTOQJQBSA-N -1 3 360.281 4.258 20 0 FIADHM Cc1ccc(-c2csc(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)n2)cc1 ZINC000652498534 1086134283 /nfs/dbraw/zinc/13/42/83/1086134283.db2.gz LKDBVWOUDQGHIN-INIZCTEOSA-N -1 3 358.507 4.441 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([O-])c1 ZINC000153919013 1086254331 /nfs/dbraw/zinc/25/43/31/1086254331.db2.gz WHFBUMKMYDQVMM-NSHDSACASA-N -1 3 370.396 4.196 20 0 FIADHM Cc1coc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)c1 ZINC001126205668 1086262753 /nfs/dbraw/zinc/26/27/53/1086262753.db2.gz AKFRTORZXZLBHR-UHFFFAOYSA-N -1 3 364.224 4.121 20 0 FIADHM Cc1cc(Br)c(CN(CC(=O)[O-])CC(C)(C)C)cc1Cl ZINC000662225955 1086357587 /nfs/dbraw/zinc/35/75/87/1086357587.db2.gz XFKVEMKVZNMADA-UHFFFAOYSA-N -1 3 362.695 4.344 20 0 FIADHM COc1cccc(-c2nc(-c3cccnc3Oc3ccccc3)no2)c1[O-] ZINC000184852222 1086363960 /nfs/dbraw/zinc/36/39/60/1086363960.db2.gz SFRBKHNDAMWGIY-UHFFFAOYSA-N -1 3 361.357 4.305 20 0 FIADHM CC1(C)C[C@]1(NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000662342594 1086416616 /nfs/dbraw/zinc/41/66/16/1086416616.db2.gz DMCGVDCEFRAEOQ-QFIPXVFZSA-N -1 3 359.429 4.497 20 0 FIADHM CC(C)(C)c1cnc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)o1 ZINC000583369327 1086619952 /nfs/dbraw/zinc/61/99/52/1086619952.db2.gz SRLIOJQBNRONJJ-UHFFFAOYSA-N -1 3 356.344 4.268 20 0 FIADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000512118344 1086787045 /nfs/dbraw/zinc/78/70/45/1086787045.db2.gz JNVZOHVXININIG-UHFFFAOYSA-N -1 3 370.430 4.449 20 0 FIADHM O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000583574359 1086805762 /nfs/dbraw/zinc/80/57/62/1086805762.db2.gz WENGNSBOGDPVKA-UHFFFAOYSA-N -1 3 373.840 4.287 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)s1 ZINC000512154763 1086846614 /nfs/dbraw/zinc/84/66/14/1086846614.db2.gz PBVYRRNPWMOSIJ-JTQLQIEISA-N -1 3 369.817 4.248 20 0 FIADHM COC(=O)c1cnc(SCc2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC001307332380 1086936740 /nfs/dbraw/zinc/93/67/40/1086936740.db2.gz VFCBNOROFZFQGO-UHFFFAOYSA-N -1 3 350.749 4.161 20 0 FIADHM CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3nnc(CC(C)C)s3)o2)cc1 ZINC000022918678 1087065328 /nfs/dbraw/zinc/06/53/28/1087065328.db2.gz SQYFVPAZECPANA-UHFFFAOYSA-N -1 3 369.446 4.452 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@H]1CCCOC1 ZINC000584352778 1087274977 /nfs/dbraw/zinc/27/49/77/1087274977.db2.gz AFBPDHNZHVGFEL-JXFKEZNVSA-N -1 3 367.445 4.216 20 0 FIADHM C[C@H](c1ccncc1)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094067907 1087462635 /nfs/dbraw/zinc/46/26/35/1087462635.db2.gz NOHJCNIJULOJSF-QGZVFWFLSA-N -1 3 360.457 4.406 20 0 FIADHM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cn1 ZINC000140723675 1087475535 /nfs/dbraw/zinc/47/55/35/1087475535.db2.gz OTYPHNWDCUYEQB-UHFFFAOYSA-N -1 3 368.458 4.175 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)s1 ZINC000148343684 1087508423 /nfs/dbraw/zinc/50/84/23/1087508423.db2.gz SXXOLLJHOMOQFF-UHFFFAOYSA-N -1 3 350.856 4.130 20 0 FIADHM CCCOc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000685619472 1087645641 /nfs/dbraw/zinc/64/56/41/1087645641.db2.gz YIWVCKCXKWVECB-LBPRGKRZSA-N -1 3 363.841 4.334 20 0 FIADHM COC(=O)c1c2c(sc1[N-]C(=O)c1cc(C(C)C)no1)CCCCC2 ZINC000504714091 1087797610 /nfs/dbraw/zinc/79/76/10/1087797610.db2.gz BBAFXBJBJOLDSY-UHFFFAOYSA-N -1 3 362.451 4.167 20 0 FIADHM Cc1ccccc1COc1cccc(CC(=O)[N-]OCCC(F)(F)F)c1 ZINC000162943490 1088023495 /nfs/dbraw/zinc/02/34/95/1088023495.db2.gz CNFHYTWMDVZCSL-UHFFFAOYSA-N -1 3 367.367 4.117 20 0 FIADHM CCc1cnc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)s1 ZINC000431832325 1088359793 /nfs/dbraw/zinc/35/97/93/1088359793.db2.gz KDYJCCLFJVXOQR-UHFFFAOYSA-N -1 3 372.924 4.052 20 0 FIADHM CC(C)Oc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000588167307 1088404229 /nfs/dbraw/zinc/40/42/29/1088404229.db2.gz RXAGSNCDCBFXCS-UHFFFAOYSA-N -1 3 353.462 4.274 20 0 FIADHM CCc1ncc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)s1 ZINC000589166911 1088559364 /nfs/dbraw/zinc/55/93/64/1088559364.db2.gz LEZMGDNISWAVHQ-UHFFFAOYSA-N -1 3 367.261 4.077 20 0 FIADHM [O-]C(=Cc1nc(-c2cc(C(F)(F)F)ccn2)no1)c1ccccc1Cl ZINC001211646818 1088740281 /nfs/dbraw/zinc/74/02/81/1088740281.db2.gz APETYWDDEHBGRL-UHFFFAOYSA-N -1 3 367.714 4.229 20 0 FIADHM O=C([O-])c1ccc(CN2CC[C@]3(C2)CCc2ccccc2O3)cc1Cl ZINC000659795838 1088881050 /nfs/dbraw/zinc/88/10/50/1088881050.db2.gz GQANPDVOTDUAIF-FQEVSTJZSA-N -1 3 357.837 4.008 20 0 FIADHM O=C([O-])[C@]12CN(Cc3cc(Cl)cc(Br)c3)C[C@H]1CCCC2 ZINC000659799629 1088884330 /nfs/dbraw/zinc/88/43/30/1088884330.db2.gz KNERWDHSUUEUAV-MLGOLLRUSA-N -1 3 372.690 4.179 20 0 FIADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000434630042 1088897142 /nfs/dbraw/zinc/89/71/42/1088897142.db2.gz ZBALSNGTCWSLIQ-UHFFFAOYSA-N -1 3 360.262 4.420 20 0 FIADHM COc1cc(C(=O)N2CC(C)(C)C[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000425118620 1088910557 /nfs/dbraw/zinc/91/05/57/1088910557.db2.gz LXDJJSBIANKFSE-INIZCTEOSA-N -1 3 355.434 4.023 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000468556358 1089007509 /nfs/dbraw/zinc/00/75/09/1089007509.db2.gz UTKLKZDDGGKAQA-UHFFFAOYSA-N -1 3 355.453 4.335 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(F)cn1 ZINC000183706195 1089033844 /nfs/dbraw/zinc/03/38/44/1089033844.db2.gz FMTLNXHSOZALDH-UHFFFAOYSA-N -1 3 365.389 4.455 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000549161391 1089084028 /nfs/dbraw/zinc/08/40/28/1089084028.db2.gz PHPPJWDGBOGSIO-HXUWFJFHSA-N -1 3 363.379 4.090 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c(C)c1 ZINC000514644687 1089300898 /nfs/dbraw/zinc/30/08/98/1089300898.db2.gz CZFABACAAPTOAM-UHFFFAOYSA-N -1 3 358.507 4.403 20 0 FIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2Br)c1 ZINC000435134132 1089318524 /nfs/dbraw/zinc/31/85/24/1089318524.db2.gz VMITXZFTTOJAFP-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OC(F)F)cc1 ZINC000514820881 1089500468 /nfs/dbraw/zinc/50/04/68/1089500468.db2.gz NRRASPPODUPCMP-UHFFFAOYSA-N -1 3 358.138 4.008 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)c3c(c2)OCCCO3)CC)n1 ZINC000435336234 1089542764 /nfs/dbraw/zinc/54/27/64/1089542764.db2.gz NFUHDZWOWOXSIJ-NTEUORMPSA-N -1 3 374.868 4.488 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC(F)F)c(OC)c2)CC)n1 ZINC000435338918 1089545737 /nfs/dbraw/zinc/54/57/37/1089545737.db2.gz LMXKNQGSHJUEFQ-LCYFTJDESA-N -1 3 364.392 4.283 20 0 FIADHM CCCOc1ccc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)cc1OC ZINC000435340563 1089546370 /nfs/dbraw/zinc/54/63/70/1089546370.db2.gz JVTMHKLJVBWYIN-VBKFSLOCSA-N -1 3 356.466 4.470 20 0 FIADHM CC(C)c1ccc(CCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783042118 1089590881 /nfs/dbraw/zinc/59/08/81/1089590881.db2.gz VLPLHUHIXJTGHA-UHFFFAOYSA-N -1 3 366.417 4.242 20 0 FIADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000515155637 1089831712 /nfs/dbraw/zinc/83/17/12/1089831712.db2.gz KPVHLAFTWAPZRB-JKSUJKDBSA-N -1 3 374.278 4.137 20 0 FIADHM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000415729992 1089870068 /nfs/dbraw/zinc/87/00/68/1089870068.db2.gz VKLKBBFYXHQUIV-UHFFFAOYSA-N -1 3 374.340 4.061 20 0 FIADHM CC(C)(C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccc(-c2ccccc2)cc1 ZINC000893211438 1090312342 /nfs/dbraw/zinc/31/23/42/1090312342.db2.gz PREWRYFLKYHFBW-UHFFFAOYSA-N -1 3 373.456 4.106 20 0 FIADHM COc1ccc(N[C@H]2C[C@@H](C)c3c2cccc3C)cc1[N-]S(C)(=O)=O ZINC000182733889 1090370978 /nfs/dbraw/zinc/37/09/78/1090370978.db2.gz BEDDVKWUTNFFOT-CJNGLKHVSA-N -1 3 360.479 4.036 20 0 FIADHM COc1cccc(Cl)c1CNC[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000417543341 1090919134 /nfs/dbraw/zinc/91/91/34/1090919134.db2.gz FXIBAQJRWVMSPJ-CYBMUJFWSA-N -1 3 368.260 4.035 20 0 FIADHM Cc1sccc1CN[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000417556679 1090924453 /nfs/dbraw/zinc/92/44/53/1090924453.db2.gz PLSZYLVMIIGYLW-CQSZACIVSA-N -1 3 354.269 4.125 20 0 FIADHM CC(C)c1cnc(CN[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])s1 ZINC000417618447 1090940871 /nfs/dbraw/zinc/94/08/71/1090940871.db2.gz JKBQSRXVJAWYPM-CYBMUJFWSA-N -1 3 373.305 4.359 20 0 FIADHM Cc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)sc1Br ZINC000417622347 1090942051 /nfs/dbraw/zinc/94/20/51/1090942051.db2.gz IIIIBRRHOKVQSL-KBPBESRZSA-N -1 3 366.280 4.222 20 0 FIADHM O=C([O-])[C@@H]1C=C[C@H](NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000417629382 1090945113 /nfs/dbraw/zinc/94/51/13/1090945113.db2.gz XBYIFFTXNCLTKI-OCCSQVGLSA-N -1 3 351.324 4.084 20 0 FIADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417635358 1090946671 /nfs/dbraw/zinc/94/66/71/1090946671.db2.gz WNBZTGBUWWTMDB-RBUKOAKNSA-N -1 3 367.445 4.045 20 0 FIADHM CC(C)(C)OC(=O)c1cccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417635357 1090946998 /nfs/dbraw/zinc/94/69/98/1090946998.db2.gz WNBZTGBUWWTMDB-OALUTQOASA-N -1 3 367.445 4.045 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000105684911 1091159296 /nfs/dbraw/zinc/15/92/96/1091159296.db2.gz XNUVYYWTBLAQLL-UHFFFAOYSA-N -1 3 374.506 4.425 20 0 FIADHM COc1cccc(F)c1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000468776418 1091361383 /nfs/dbraw/zinc/36/13/83/1091361383.db2.gz AXEXZOQLVBPENF-UHFFFAOYSA-N -1 3 361.423 4.089 20 0 FIADHM CCO[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000626227851 1091690610 /nfs/dbraw/zinc/69/06/10/1091690610.db2.gz KDCGBMKJHXIILU-SFHVURJKSA-N -1 3 368.458 4.423 20 0 FIADHM Cc1ccccc1C1(C(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000473076770 1091724856 /nfs/dbraw/zinc/72/48/56/1091724856.db2.gz JZWACEDOOLJOBN-UHFFFAOYSA-N -1 3 374.278 4.201 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)[nH][n-]1 ZINC000512342973 1092086850 /nfs/dbraw/zinc/08/68/50/1092086850.db2.gz NKGHCIPELKPKFO-QWHCGFSZSA-N -1 3 351.372 4.114 20 0 FIADHM O=c1ccnc(C(=Cc2cnc(-c3ccncc3)s2)Cc2ccccc2)[n-]1 ZINC000432708388 1092162526 /nfs/dbraw/zinc/16/25/26/1092162526.db2.gz GOVIVXNGPAIGBC-GHRIWEEISA-N -1 3 372.453 4.484 20 0 FIADHM O=c1ccnc(C(=Cc2ncc(C(F)(F)F)s2)Cc2ccccc2)[n-]1 ZINC000432710648 1092168234 /nfs/dbraw/zinc/16/82/34/1092168234.db2.gz UOJQTUVSBGIEQM-FMIVXFBMSA-N -1 3 363.364 4.441 20 0 FIADHM CN(Cc1c(F)ccc([O-])c1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000512479760 1092521869 /nfs/dbraw/zinc/52/18/69/1092521869.db2.gz ITDHIPQMTWRZTB-KDOFPFPSSA-N -1 3 351.368 4.162 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(OC(C)(C)C)cn2)c(F)c1F ZINC000410645527 1092570622 /nfs/dbraw/zinc/57/06/22/1092570622.db2.gz WHGSHRKPDKPGQF-UHFFFAOYSA-N -1 3 366.339 4.131 20 0 FIADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000512544965 1092792757 /nfs/dbraw/zinc/79/27/57/1092792757.db2.gz QMYXJWQAOQVFDE-GFCCVEGCSA-N -1 3 374.362 4.380 20 0 FIADHM [O-]c1ccc(F)c(CNc2cccc(-n3cc(C(F)(F)F)cn3)c2)c1F ZINC000512647299 1093077343 /nfs/dbraw/zinc/07/73/43/1093077343.db2.gz CFTPJYCXMFBAMG-UHFFFAOYSA-N -1 3 369.293 4.487 20 0 FIADHM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000550471685 1093144286 /nfs/dbraw/zinc/14/42/86/1093144286.db2.gz UCIUEXKXBIUBMU-IUODEOHRSA-N -1 3 366.642 4.094 20 0 FIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433170159 1093361387 /nfs/dbraw/zinc/36/13/87/1093361387.db2.gz UQMFBUCNDOAWEW-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000509811839 1093416400 /nfs/dbraw/zinc/41/64/00/1093416400.db2.gz LCCXHCNLTVMRMW-HNNXBMFYSA-N -1 3 363.816 4.006 20 0 FIADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1cc2cc(Cl)ccc2s1 ZINC000429910025 1093488806 /nfs/dbraw/zinc/48/88/06/1093488806.db2.gz MLTUDVKYWVVJNO-SECBINFHSA-N -1 3 365.854 4.268 20 0 FIADHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000033777096 1093527315 /nfs/dbraw/zinc/52/73/15/1093527315.db2.gz VTECFIPHSIUUCG-MRVPVSSYSA-N -1 3 366.291 4.103 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)n1 ZINC000469805184 1093604359 /nfs/dbraw/zinc/60/43/59/1093604359.db2.gz XVUKDYPZYFYSOY-SECBINFHSA-N -1 3 366.368 4.306 20 0 FIADHM CCCOc1ccc(C(C)(C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000474369868 1093716756 /nfs/dbraw/zinc/71/67/56/1093716756.db2.gz IQSVBPDEMPGOBU-UHFFFAOYSA-N -1 3 360.429 4.055 20 0 FIADHM Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000895843819 1093736804 /nfs/dbraw/zinc/73/68/04/1093736804.db2.gz CXGQRLDVQOWIPU-UHFFFAOYSA-N -1 3 364.776 4.097 20 0 FIADHM CC[C@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)OC ZINC000419355523 1093744098 /nfs/dbraw/zinc/74/40/98/1093744098.db2.gz LYPGPCIDOWSWBB-SNVBAGLBSA-N -1 3 350.465 4.315 20 0 FIADHM C[C@@H]1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@@H](c2ccco2)C1 ZINC000895889735 1093762017 /nfs/dbraw/zinc/76/20/17/1093762017.db2.gz SFABHSGZFJQOEN-PIGZYNQJSA-N -1 3 372.371 4.013 20 0 FIADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001211828889 1093876683 /nfs/dbraw/zinc/87/66/83/1093876683.db2.gz GRUFNWAZJSXDOQ-HOTGVXAUSA-N -1 3 368.886 4.031 20 0 FIADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccnc1 ZINC000433740378 1094077827 /nfs/dbraw/zinc/07/78/27/1094077827.db2.gz BAIJVCZTAFQUQK-AWEZNQCLSA-N -1 3 373.305 4.107 20 0 FIADHM CC(C)c1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262228493 1094079096 /nfs/dbraw/zinc/07/90/96/1094079096.db2.gz WKYSWISDGHJLAS-KSFYIVLOSA-N -1 3 372.509 4.059 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3cc(Cl)ccc3F)nc2)n1 ZINC000433795113 1094105373 /nfs/dbraw/zinc/10/53/73/1094105373.db2.gz WMEMNGJICQDUDQ-UHFFFAOYSA-N -1 3 372.831 4.236 20 0 FIADHM [O-]c1cccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)c1Cl ZINC000513621307 1094241712 /nfs/dbraw/zinc/24/17/12/1094241712.db2.gz YSBXCXUNFHAPOS-UHFFFAOYSA-N -1 3 352.812 4.036 20 0 FIADHM CN1Cc2ccccc2[C@@H]1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001648952444 1094321376 /nfs/dbraw/zinc/32/13/76/1094321376.db2.gz WQURACVUWARVJA-NRFANRHFSA-N -1 3 374.440 4.101 20 0 FIADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000501135012 1094523859 /nfs/dbraw/zinc/52/38/59/1094523859.db2.gz NOFGRVYDCSWNMG-HUUCEWRRSA-N -1 3 360.458 4.159 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1coc(C2CCCC2)n1 ZINC000474732521 1094547552 /nfs/dbraw/zinc/54/75/52/1094547552.db2.gz UVVXBGIDAMZVJV-UHFFFAOYSA-N -1 3 351.200 4.053 20 0 FIADHM O=S(=O)([N-]CCSc1ccccc1)c1cccc(Cl)c1Cl ZINC000017333671 1094709334 /nfs/dbraw/zinc/70/93/34/1094709334.db2.gz LOPGSEPKCNZWFY-UHFFFAOYSA-N -1 3 362.303 4.064 20 0 FIADHM COCCC1(c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CCC1 ZINC000420514729 1094963003 /nfs/dbraw/zinc/96/30/03/1094963003.db2.gz NXYLCHMGOVNPAY-UHFFFAOYSA-N -1 3 364.445 4.491 20 0 FIADHM O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1ccc2c(c1)CCO2 ZINC000522532666 1095115400 /nfs/dbraw/zinc/11/54/00/1095115400.db2.gz UBEQZHVIUQJAFO-UHFFFAOYSA-N -1 3 373.474 4.134 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c(C)c1C ZINC000522670399 1095251653 /nfs/dbraw/zinc/25/16/53/1095251653.db2.gz NLXHVDRQHIQWEC-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421144455 1095381835 /nfs/dbraw/zinc/38/18/35/1095381835.db2.gz BSEVJABIYHDDQP-QGZVFWFLSA-N -1 3 371.543 4.195 20 0 FIADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000444050091 1095642259 /nfs/dbraw/zinc/64/22/59/1095642259.db2.gz HOZJWTMVZCPXRC-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1cc(C)c(-c2csc([N-]c3ncnc4c3cnn4C)n2)cc1C ZINC000502699309 1095722506 /nfs/dbraw/zinc/72/25/06/1095722506.db2.gz PWJAFLNDSDPTFI-UHFFFAOYSA-N -1 3 350.451 4.156 20 0 FIADHM Cc1c(C(=O)[N-]c2nnc(-c3ccccn3)s2)sc2nccc(C)c12 ZINC000502821949 1095884338 /nfs/dbraw/zinc/88/43/38/1095884338.db2.gz AITFTKQWHZVVBU-UHFFFAOYSA-N -1 3 367.459 4.079 20 0 FIADHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cc(Cl)ccc1Cl ZINC000522968361 1095926873 /nfs/dbraw/zinc/92/68/73/1095926873.db2.gz OAGLTIOGQABXCQ-UHFFFAOYSA-N -1 3 360.237 4.100 20 0 FIADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCO1 ZINC000271983356 1096145344 /nfs/dbraw/zinc/14/53/44/1096145344.db2.gz ZJXGHZSFSQXFRH-OLZOCXBDSA-N -1 3 368.458 4.423 20 0 FIADHM O=C(Cc1cc(F)ccc1Br)Nc1cc(Cl)ccc1[O-] ZINC000532913854 1098587749 /nfs/dbraw/zinc/58/77/49/1098587749.db2.gz PJCRMBBTXWZHRI-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000515503386 1098658506 /nfs/dbraw/zinc/65/85/06/1098658506.db2.gz RUXOFLAKAYYCMX-DTWKUNHWSA-N -1 3 366.177 4.462 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3=CCC(C)(C)CC3)c2)n1 ZINC000454798859 1098774489 /nfs/dbraw/zinc/77/44/89/1098774489.db2.gz QKVSXVQBTGRZOV-UHFFFAOYSA-N -1 3 351.450 4.487 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC(C)(C4CC4)CC3)cc2)cc(=O)[n-]1 ZINC000515924585 1099031715 /nfs/dbraw/zinc/03/17/15/1099031715.db2.gz JUEHDWSQFOQOOE-UHFFFAOYSA-N -1 3 366.465 4.202 20 0 FIADHM CCCC(=O)Nc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436528425 1099084754 /nfs/dbraw/zinc/08/47/54/1099084754.db2.gz XFDCOWDNLMNYIN-UHFFFAOYSA-N -1 3 354.450 4.184 20 0 FIADHM COc1ccc(CCN(CC(C)C)C(=O)c2ccc(C)cc2[O-])cc1OC ZINC000436549080 1099096282 /nfs/dbraw/zinc/09/62/82/1099096282.db2.gz FDHXULHNZHTVBT-UHFFFAOYSA-N -1 3 371.477 4.059 20 0 FIADHM O=C(CCCOc1ccccc1F)Nc1ccc(Br)cc1[O-] ZINC000515994054 1099104354 /nfs/dbraw/zinc/10/43/54/1099104354.db2.gz AMEIWWMCGFAGGW-UHFFFAOYSA-N -1 3 368.202 4.092 20 0 FIADHM COc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c([O-])c1 ZINC000436541610 1099107725 /nfs/dbraw/zinc/10/77/25/1099107725.db2.gz WXPWDBZKJLRHTK-UHFFFAOYSA-N -1 3 367.367 4.470 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCc2ccc(O)cc2C1 ZINC000436574108 1099111681 /nfs/dbraw/zinc/11/16/81/1099111681.db2.gz FDAXJBFAXGELCY-UHFFFAOYSA-N -1 3 373.452 4.082 20 0 FIADHM Cc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc(C)c1O ZINC000436566654 1099116466 /nfs/dbraw/zinc/11/64/66/1099116466.db2.gz XCUXJHBYLBMWLL-UHFFFAOYSA-N -1 3 363.186 4.226 20 0 FIADHM COc1ccc(C(=O)N(C2CC2)C2CC(c3ccccc3C)C2)c([O-])c1 ZINC000436592912 1099125292 /nfs/dbraw/zinc/12/52/92/1099125292.db2.gz ZKBWSGLPITWTCV-UHFFFAOYSA-N -1 3 351.446 4.260 20 0 FIADHM C[C@@H]1CCSCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436594978 1099125421 /nfs/dbraw/zinc/12/54/21/1099125421.db2.gz JRVBYMGJPQEZLS-MRXNPFEDSA-N -1 3 355.503 4.145 20 0 FIADHM CCOCCOCc1cccc(NC(=O)c2cc(CC)ccc2[O-])c1C ZINC000436591831 1099136597 /nfs/dbraw/zinc/13/65/97/1099136597.db2.gz YFGHQTMSNFZPCA-UHFFFAOYSA-N -1 3 357.450 4.068 20 0 FIADHM CCc1onc(C)c1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436603616 1099140313 /nfs/dbraw/zinc/14/03/13/1099140313.db2.gz MDLXCNUSGRPDAG-UHFFFAOYSA-N -1 3 350.418 4.289 20 0 FIADHM CC[C@@H](C)n1ncc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C1CC1 ZINC000436610446 1099144049 /nfs/dbraw/zinc/14/40/49/1099144049.db2.gz WYIIFRFKVMDNNL-GFCCVEGCSA-N -1 3 369.465 4.403 20 0 FIADHM C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436630125 1099160453 /nfs/dbraw/zinc/16/04/53/1099160453.db2.gz LYXXFEYEALNRDK-BDJLRTHQSA-N -1 3 365.351 4.340 20 0 FIADHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436632415 1099161633 /nfs/dbraw/zinc/16/16/33/1099161633.db2.gz ZCOKVDRJEOLVEJ-GTNSWQLSSA-N -1 3 365.351 4.340 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436622841 1099169975 /nfs/dbraw/zinc/16/99/75/1099169975.db2.gz CMMBOOCBVCJFFY-UHFFFAOYSA-N -1 3 358.869 4.131 20 0 FIADHM Cc1sc(CNC(=O)c2c([O-])cccc2O)nc1-c1ccc(Cl)cc1 ZINC000436649576 1099171365 /nfs/dbraw/zinc/17/13/65/1099171365.db2.gz VMPUEARMXRFGOA-UHFFFAOYSA-N -1 3 374.849 4.113 20 0 FIADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436667182 1099198595 /nfs/dbraw/zinc/19/85/95/1099198595.db2.gz TVEMHYSIQPVNGT-UHFFFAOYSA-N -1 3 357.360 4.204 20 0 FIADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436669899 1099200900 /nfs/dbraw/zinc/20/09/00/1099200900.db2.gz CNSQADIWPSKGIM-LLVKDONJSA-N -1 3 354.431 4.021 20 0 FIADHM [O-]c1ccccc1-c1nc(CSc2nc3cc(Cl)ccc3[nH]2)no1 ZINC000436703812 1099236669 /nfs/dbraw/zinc/23/66/69/1099236669.db2.gz ICTFQBQGDHXCGM-UHFFFAOYSA-N -1 3 358.810 4.264 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N(Cc1cccnc1)C1CC1 ZINC000436756235 1099272142 /nfs/dbraw/zinc/27/21/42/1099272142.db2.gz OXBBPQBVPOUZTR-UHFFFAOYSA-N -1 3 372.468 4.377 20 0 FIADHM Cn1nc(Nc2ccc([O-])c(F)c2F)c2ccc(Br)cc21 ZINC001211998020 1099279542 /nfs/dbraw/zinc/27/95/42/1099279542.db2.gz XPDKPRMKHMOOFX-UHFFFAOYSA-N -1 3 354.154 4.063 20 0 FIADHM CC(=O)Nc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436751510 1099286887 /nfs/dbraw/zinc/28/68/87/1099286887.db2.gz LUKXGBMSCXYRCI-UHFFFAOYSA-N -1 3 362.385 4.395 20 0 FIADHM CCSc1ccc([C@@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436774139 1099293717 /nfs/dbraw/zinc/29/37/17/1099293717.db2.gz VQRLTZMDTJKLQZ-GFCCVEGCSA-N -1 3 361.463 4.012 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cncs1 ZINC000436775635 1099296773 /nfs/dbraw/zinc/29/67/73/1099296773.db2.gz FZTXUYLCZYDASS-UHFFFAOYSA-N -1 3 353.428 4.378 20 0 FIADHM Cn1cc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c(C(F)(F)F)n1 ZINC000436776653 1099297203 /nfs/dbraw/zinc/29/72/03/1099297203.db2.gz VSKDKQHROMHVBP-UHFFFAOYSA-N -1 3 360.295 4.015 20 0 FIADHM CCCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)c1ccccc1 ZINC000436784502 1099316443 /nfs/dbraw/zinc/31/64/43/1099316443.db2.gz XPZMOYNJQLEEPD-OAHLLOKOSA-N -1 3 357.450 4.413 20 0 FIADHM C[C@]12CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C[C@H]1C2(F)F ZINC000436785867 1099316530 /nfs/dbraw/zinc/31/65/30/1099316530.db2.gz HAKZRVMEIQRUSY-MJGOQNOKSA-N -1 3 359.372 4.302 20 0 FIADHM COc1cccc(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1[O-] ZINC000436786546 1099318935 /nfs/dbraw/zinc/31/89/35/1099318935.db2.gz JPDKBSKLNJHZPR-UHFFFAOYSA-N -1 3 372.421 4.148 20 0 FIADHM Cc1ccnc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000533690937 1099321632 /nfs/dbraw/zinc/32/16/32/1099321632.db2.gz DFQMDWCPSRHZRK-UHFFFAOYSA-N -1 3 370.459 4.189 20 0 FIADHM COC[C@@H]1CCCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436816778 1099327883 /nfs/dbraw/zinc/32/78/83/1099327883.db2.gz PLRQMSCAADJCRV-HXUWFJFHSA-N -1 3 367.489 4.066 20 0 FIADHM COCC[C@@H]1CCCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436818621 1099329585 /nfs/dbraw/zinc/32/95/85/1099329585.db2.gz KUSOJZVWLVKVGM-KRWDZBQOSA-N -1 3 369.461 4.463 20 0 FIADHM CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3[O-])c12 ZINC000436803122 1099331598 /nfs/dbraw/zinc/33/15/98/1099331598.db2.gz MPYJJAUGNJMFRM-UHFFFAOYSA-N -1 3 355.369 4.150 20 0 FIADHM CC(C)[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCCO1 ZINC000436811381 1099336826 /nfs/dbraw/zinc/33/68/26/1099336826.db2.gz AEEBCBYKCSPGHG-FQEVSTJZSA-N -1 3 355.434 4.072 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c([O-])c1 ZINC000436814026 1099338855 /nfs/dbraw/zinc/33/88/55/1099338855.db2.gz QAERXIXJGZXFGA-UHFFFAOYSA-N -1 3 374.440 4.158 20 0 FIADHM CN(CCc1ccccc1O)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436832237 1099342822 /nfs/dbraw/zinc/34/28/22/1099342822.db2.gz IEJYWADMLQUTSV-UHFFFAOYSA-N -1 3 363.413 4.205 20 0 FIADHM CCc1ccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c([O-])c1 ZINC000436837619 1099346578 /nfs/dbraw/zinc/34/65/78/1099346578.db2.gz HTCLRBJCAFYEHK-ORAYPTAESA-N -1 3 359.853 4.210 20 0 FIADHM CCc1ccc(-c2nc(CCCOCCc3ccccc3)no2)c([O-])c1 ZINC000436857008 1099357153 /nfs/dbraw/zinc/35/71/53/1099357153.db2.gz JBZOMAUIJNOXFE-UHFFFAOYSA-N -1 3 352.434 4.197 20 0 FIADHM Cc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cnn1 ZINC000436841316 1099359914 /nfs/dbraw/zinc/35/99/14/1099359914.db2.gz YTDYPVDHAQOSRS-UHFFFAOYSA-N -1 3 362.414 4.020 20 0 FIADHM COc1ccc(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c([O-])c1 ZINC000436848649 1099366884 /nfs/dbraw/zinc/36/68/84/1099366884.db2.gz WNOMGFFDWJOQJJ-HNNXBMFYSA-N -1 3 363.866 4.061 20 0 FIADHM CSC[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436851356 1099369194 /nfs/dbraw/zinc/36/91/94/1099369194.db2.gz DEMQJCHXMNNHPV-IBGZPJMESA-N -1 3 369.530 4.393 20 0 FIADHM CC(C)(C)OC(=O)NCCc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212010994 1099374998 /nfs/dbraw/zinc/37/49/98/1099374998.db2.gz LMPHDGKMPBOKKQ-UHFFFAOYSA-N -1 3 364.392 4.481 20 0 FIADHM CC(C)(C)OC(=O)NCCc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212014058 1099378692 /nfs/dbraw/zinc/37/86/92/1099378692.db2.gz XIDBLXKMLLHXJA-UHFFFAOYSA-N -1 3 364.392 4.481 20 0 FIADHM COCCOc1cc(Nc2ccc([O-])c(F)c2F)cc(C(F)(F)F)c1 ZINC001212016524 1099383887 /nfs/dbraw/zinc/38/38/87/1099383887.db2.gz UOLICWQDBOCJNT-UHFFFAOYSA-N -1 3 363.282 4.458 20 0 FIADHM CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000436875819 1099388056 /nfs/dbraw/zinc/38/80/56/1099388056.db2.gz ZFZLWSAQJOODDW-QGZVFWFLSA-N -1 3 365.433 4.276 20 0 FIADHM CC(C)c1ccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3)no2)c([O-])c1 ZINC000436888544 1099405361 /nfs/dbraw/zinc/40/53/61/1099405361.db2.gz NQOQTRXHJLJFLT-UHFFFAOYSA-N -1 3 371.824 4.400 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1[O-] ZINC000436890184 1099407712 /nfs/dbraw/zinc/40/77/12/1099407712.db2.gz DVECYVGXFXTAFV-UHFFFAOYSA-N -1 3 372.424 4.156 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c([O-])c1C ZINC000436897929 1099423424 /nfs/dbraw/zinc/42/34/24/1099423424.db2.gz DDGVKNKDSCDXKH-UHFFFAOYSA-N -1 3 369.461 4.375 20 0 FIADHM Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000436899391 1099424559 /nfs/dbraw/zinc/42/45/59/1099424559.db2.gz DVISEBOKBYSUGR-UHFFFAOYSA-N -1 3 365.408 4.063 20 0 FIADHM [O-]c1ccccc1-c1nc(Cc2c[nH]c3cc(Br)ccc23)no1 ZINC000436956071 1099474532 /nfs/dbraw/zinc/47/45/32/1099474532.db2.gz KZVJUUNULARFBS-UHFFFAOYSA-N -1 3 370.206 4.277 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC000436970897 1099478311 /nfs/dbraw/zinc/47/83/11/1099478311.db2.gz GKAQKINKWFZCRO-OAHLLOKOSA-N -1 3 357.425 4.340 20 0 FIADHM COc1cc(OC)c(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1OC ZINC000437006155 1099509496 /nfs/dbraw/zinc/50/94/96/1099509496.db2.gz ZLRLKAALVOZTIA-UHFFFAOYSA-N -1 3 370.405 4.258 20 0 FIADHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c([O-])c1 ZINC000437001080 1099520159 /nfs/dbraw/zinc/52/01/59/1099520159.db2.gz NRFQPPLTDFGNOE-OAHLLOKOSA-N -1 3 374.278 4.168 20 0 FIADHM CC(NC(=O)c1cc(=O)c2ccccc2[n-]1)(c1ccccc1)c1ccccc1 ZINC000505946717 1099553265 /nfs/dbraw/zinc/55/32/65/1099553265.db2.gz ATDVRUGSRSYNKJ-UHFFFAOYSA-N -1 3 368.436 4.222 20 0 FIADHM Cc1nonc1[N-]C(=O)c1sc2cc(Br)ccc2c1Cl ZINC000729825890 1099705886 /nfs/dbraw/zinc/70/58/86/1099705886.db2.gz IZKSJUDRBRJNKW-UHFFFAOYSA-N -1 3 372.631 4.261 20 0 FIADHM O=S(=O)([N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000437299506 1099784099 /nfs/dbraw/zinc/78/40/99/1099784099.db2.gz VECKBCQLNSWHRL-DTWKUNHWSA-N -1 3 361.838 4.049 20 0 FIADHM COc1cc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)ccc1OCC(C)C ZINC000263475975 1099793973 /nfs/dbraw/zinc/79/39/73/1099793973.db2.gz MPXCCJJSORFTAV-OAHLLOKOSA-N -1 3 357.450 4.279 20 0 FIADHM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)ns2)c(F)cc1F ZINC000437367844 1099838559 /nfs/dbraw/zinc/83/85/59/1099838559.db2.gz YFDJHSGGLHOYCV-UHFFFAOYSA-N -1 3 374.368 4.127 20 0 FIADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)nn1-c1ccccc1Cl ZINC000516896837 1099921836 /nfs/dbraw/zinc/92/18/36/1099921836.db2.gz UHQJDHDAGHVQSQ-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cnccc1-c1ccccc1 ZINC000517199489 1100175923 /nfs/dbraw/zinc/17/59/23/1100175923.db2.gz XNTPAHLSLAAQOR-UHFFFAOYSA-N -1 3 358.850 4.344 20 0 FIADHM CCOc1cc(CN2CCCC[C@H]2c2nccn2CC)cc(Cl)c1[O-] ZINC000459514660 1100250476 /nfs/dbraw/zinc/25/04/76/1100250476.db2.gz QLMNFYATAGHRSB-INIZCTEOSA-N -1 3 363.889 4.388 20 0 FIADHM CC(C)(CO)[C@@H](NCc1cccc([O-])c1Br)c1cccs1 ZINC000459567973 1100315651 /nfs/dbraw/zinc/31/56/51/1100315651.db2.gz ZCAJAIYBLQLVHV-HNNXBMFYSA-N -1 3 370.312 4.066 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1Br ZINC000459571433 1100319808 /nfs/dbraw/zinc/31/98/08/1100319808.db2.gz OKMALCHZQBIZKQ-LLVKDONJSA-N -1 3 372.184 4.349 20 0 FIADHM Cc1ccc([C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccc(F)cc2Cl)cc1 ZINC000517456348 1100379799 /nfs/dbraw/zinc/37/97/99/1100379799.db2.gz OJDLWXSLUDHGAC-KRWDZBQOSA-N -1 3 367.815 4.029 20 0 FIADHM CSc1cc2c(cc1[N-]C(=O)c1sccc1OC(F)F)OCCO2 ZINC000517928459 1100801706 /nfs/dbraw/zinc/80/17/06/1100801706.db2.gz MEZBONLWNGHVLH-UHFFFAOYSA-N -1 3 373.402 4.095 20 0 FIADHM COc1ccc(-c2ncc(C(=O)Nc3cc(Cl)ccc3[O-])s2)cc1 ZINC000439102013 1101162624 /nfs/dbraw/zinc/16/26/24/1101162624.db2.gz XKMLZIBWESTTNR-UHFFFAOYSA-N -1 3 360.822 4.430 20 0 FIADHM CC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000060256082 1101217415 /nfs/dbraw/zinc/21/74/15/1101217415.db2.gz BEBRNKDRKOYUET-CYBMUJFWSA-N -1 3 360.479 4.089 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000648431927 1101320915 /nfs/dbraw/zinc/32/09/15/1101320915.db2.gz JHNVSHGYJMXJBV-QJPTWQEYSA-N -1 3 363.811 4.066 20 0 FIADHM CC(C)C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648432668 1101327762 /nfs/dbraw/zinc/32/77/62/1101327762.db2.gz DOHFAOCHEJFCOX-ZDUSSCGKSA-N -1 3 373.806 4.289 20 0 FIADHM Cc1cc(CN(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)oc1C(=O)[O-] ZINC000518782541 1101546245 /nfs/dbraw/zinc/54/62/45/1101546245.db2.gz BESQJHCHOTUGCC-NSHDSACASA-N -1 3 372.248 4.492 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cnc2ccsc2c1 ZINC000439572814 1101575436 /nfs/dbraw/zinc/57/54/36/1101575436.db2.gz QSQWGZJFCMUWIJ-UHFFFAOYSA-N -1 3 360.794 4.029 20 0 FIADHM O=c1nc(COCC(F)(F)F)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000055491760 1101677809 /nfs/dbraw/zinc/67/78/09/1101677809.db2.gz BAZCTUSGMSIJNE-UHFFFAOYSA-N -1 3 374.771 4.384 20 0 FIADHM O=c1nc(COCC(F)(F)F)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000055491954 1101678289 /nfs/dbraw/zinc/67/82/89/1101678289.db2.gz VRRKXBQOBWFRQS-UHFFFAOYSA-N -1 3 374.771 4.384 20 0 FIADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000024744311 1101900172 /nfs/dbraw/zinc/90/01/72/1101900172.db2.gz MHVALMWWXWSWLF-LLVKDONJSA-N -1 3 360.335 4.038 20 0 FIADHM CC(C)(C)c1ccc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000519099400 1101928981 /nfs/dbraw/zinc/92/89/81/1101928981.db2.gz RIKQRBIZOSSPEE-UHFFFAOYSA-N -1 3 363.465 4.126 20 0 FIADHM CC(C)(C)c1ccc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000519099400 1101928990 /nfs/dbraw/zinc/92/89/90/1101928990.db2.gz RIKQRBIZOSSPEE-UHFFFAOYSA-N -1 3 363.465 4.126 20 0 FIADHM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476134135 1101958340 /nfs/dbraw/zinc/95/83/40/1101958340.db2.gz DLGITJLKIYDUAG-UHFFFAOYSA-N -1 3 373.334 4.429 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000476148238 1101984358 /nfs/dbraw/zinc/98/43/58/1101984358.db2.gz JKMXSFXDDMDTHA-WDEREUQCSA-N -1 3 357.278 4.431 20 0 FIADHM CCCOc1cccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000476181891 1102025118 /nfs/dbraw/zinc/02/51/18/1102025118.db2.gz YBBTVJOKHOLKQB-UHFFFAOYSA-N -1 3 353.340 4.381 20 0 FIADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1cccc2ncccc12 ZINC000476189912 1102032964 /nfs/dbraw/zinc/03/29/64/1102032964.db2.gz GFYBXIKUUCVNRT-UHFFFAOYSA-N -1 3 367.257 4.484 20 0 FIADHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000519254262 1102046228 /nfs/dbraw/zinc/04/62/28/1102046228.db2.gz QICGLOAJNVUUSI-JTQLQIEISA-N -1 3 369.364 4.198 20 0 FIADHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000476255162 1102066282 /nfs/dbraw/zinc/06/62/82/1102066282.db2.gz UBCDIHRPYOSRGL-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000263460068 1102164925 /nfs/dbraw/zinc/16/49/25/1102164925.db2.gz IOFCAPQWRQTIKD-LBPRGKRZSA-N -1 3 353.340 4.177 20 0 FIADHM CCCCOc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000263484449 1102180566 /nfs/dbraw/zinc/18/05/66/1102180566.db2.gz OXNFDTVNGXCCTG-OAHLLOKOSA-N -1 3 357.450 4.423 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC34CCCCC4)c2)n1 ZINC000532422870 1102273138 /nfs/dbraw/zinc/27/31/38/1102273138.db2.gz JPCHFPSJQNDQMJ-QGZVFWFLSA-N -1 3 351.450 4.321 20 0 FIADHM CCc1noc(C)c1[N-]C(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000120928034 1102283784 /nfs/dbraw/zinc/28/37/84/1102283784.db2.gz WNPVRBVUNKGXOP-UHFFFAOYSA-N -1 3 364.327 4.002 20 0 FIADHM COc1ccc(CCN(Cc2ccccc2)C(=O)c2ccccc2[O-])cc1 ZINC000550052308 1102343295 /nfs/dbraw/zinc/34/32/95/1102343295.db2.gz ASMSVEOYIWWTKN-UHFFFAOYSA-N -1 3 361.441 4.286 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccccc1SCc1cccs1 ZINC000473631402 1102344513 /nfs/dbraw/zinc/34/45/13/1102344513.db2.gz XBPAYXHIBQXFEF-UHFFFAOYSA-N -1 3 356.472 4.071 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2ncccc2Oc2ccccc2)s1 ZINC000440442894 1102373753 /nfs/dbraw/zinc/37/37/53/1102373753.db2.gz UWAUBXSLPZWOPQ-UHFFFAOYSA-N -1 3 354.435 4.176 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473648471 1102392213 /nfs/dbraw/zinc/39/22/13/1102392213.db2.gz MXNXLTJSKPNPON-FUHWJXTLSA-N -1 3 359.416 4.446 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1 ZINC000537639847 1102559946 /nfs/dbraw/zinc/55/99/46/1102559946.db2.gz OTCHZPPSHUFZOS-UHFFFAOYSA-N -1 3 352.356 4.292 20 0 FIADHM O=C(NCCCOc1ccc2ccccc2c1)c1cc([O-])ccc1Cl ZINC000476704655 1102718426 /nfs/dbraw/zinc/71/84/26/1102718426.db2.gz FKALOHGBBRKGFC-UHFFFAOYSA-N -1 3 355.821 4.398 20 0 FIADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1cc(Cl)ccc1[O-] ZINC000537670061 1102796219 /nfs/dbraw/zinc/79/62/19/1102796219.db2.gz KSYAVBYWNHOUSD-UHFFFAOYSA-N -1 3 355.825 4.302 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c(F)c2)cc1 ZINC000473846691 1102900360 /nfs/dbraw/zinc/90/03/60/1102900360.db2.gz JTHGTCRAMRVQRE-IBGZPJMESA-N -1 3 365.408 4.050 20 0 FIADHM Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000426684637 1102919310 /nfs/dbraw/zinc/91/93/10/1102919310.db2.gz AIRKZKYJWNRZBK-LJQANCHMSA-N -1 3 369.852 4.058 20 0 FIADHM O=C([O-])[C@@H](CNCc1coc(-c2ccccc2)n1)Cc1ccc(Cl)cc1 ZINC000426705587 1102932802 /nfs/dbraw/zinc/93/28/02/1102932802.db2.gz PTIKSFWDFRKQEE-MRXNPFEDSA-N -1 3 370.836 4.028 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Br)s1)c1ccccc1 ZINC000426722914 1102940908 /nfs/dbraw/zinc/94/09/08/1102940908.db2.gz JJGKILCTOXGJFL-HZMBPMFUSA-N -1 3 354.269 4.062 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(-c2ccncc2)c1)c1ccc(Cl)c(F)c1 ZINC000426726858 1102961943 /nfs/dbraw/zinc/96/19/43/1102961943.db2.gz LSVOPZGOFJYCEA-LJQANCHMSA-N -1 3 370.811 4.457 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1Cl ZINC000614841038 1102966545 /nfs/dbraw/zinc/96/65/45/1102966545.db2.gz HHFVYPDSXSGKSH-UHFFFAOYSA-N -1 3 369.870 4.165 20 0 FIADHM Cc1cc(C)cc([C@@H](NCc2cnn(-c3ccc(Cl)cc3)c2)C(=O)[O-])c1 ZINC000426753861 1102969465 /nfs/dbraw/zinc/96/94/65/1102969465.db2.gz LPYLQXMCAPHUNJ-LJQANCHMSA-N -1 3 369.852 4.058 20 0 FIADHM Cc1ccc2[nH]c(CN[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cc2c1C ZINC000426756484 1102972298 /nfs/dbraw/zinc/97/22/98/1102972298.db2.gz KIZFAJVNMXZGDP-SFHVURJKSA-N -1 3 360.816 4.493 20 0 FIADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc2cccnc12 ZINC000426763143 1102975312 /nfs/dbraw/zinc/97/53/12/1102975312.db2.gz QIEMHAQTBPMRFY-SFHVURJKSA-N -1 3 358.800 4.251 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@@H]3CCCC[C@@]3(C)C(=O)[O-])cs2)cc1 ZINC000426762941 1102975741 /nfs/dbraw/zinc/97/57/41/1102975741.db2.gz ORZWVQAYUQBOIO-YLJYHZDGSA-N -1 3 374.506 4.154 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@H]3CCCC[C@]3(C)C(=O)[O-])cs2)cc1 ZINC000426762939 1102976448 /nfs/dbraw/zinc/97/64/48/1102976448.db2.gz ORZWVQAYUQBOIO-PXNSSMCTSA-N -1 3 374.506 4.154 20 0 FIADHM CCCN1CCc2c(N)sc(Nc3cc(Cl)cc(C(=O)[O-])c3)c2C1 ZINC001211963154 1102979931 /nfs/dbraw/zinc/97/99/31/1102979931.db2.gz ZNOQRFDNXLCIPB-UHFFFAOYSA-N -1 3 365.886 4.194 20 0 FIADHM CSc1cc(Br)ccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000426765489 1102985993 /nfs/dbraw/zinc/98/59/93/1102985993.db2.gz OXQZBLKTOSJGND-HNNXBMFYSA-N -1 3 366.280 4.087 20 0 FIADHM COc1ccc(Br)cc1CN(C)Cc1c(F)ccc([O-])c1F ZINC000506966716 1102992856 /nfs/dbraw/zinc/99/28/56/1102992856.db2.gz XVNVXUJOCCTJNF-UHFFFAOYSA-N -1 3 372.209 4.074 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc3ccccc3s2)c1OC ZINC000426803356 1103002608 /nfs/dbraw/zinc/00/26/08/1103002608.db2.gz MEDSCVJGJNUNIP-INIZCTEOSA-N -1 3 371.458 4.224 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 ZINC000426811558 1103006601 /nfs/dbraw/zinc/00/66/01/1103006601.db2.gz NDYWZBUNQSORLZ-NRFANRHFSA-N -1 3 365.404 4.320 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000426827224 1103024470 /nfs/dbraw/zinc/02/44/70/1103024470.db2.gz RTAOWLHNRZLNSY-HNNXBMFYSA-N -1 3 368.658 4.408 20 0 FIADHM Cc1nc2c(s1)[C@H](N(C)Cc1cc(=O)[n-]c(-c3ccccc3)n1)CCC2 ZINC000459379343 1103028390 /nfs/dbraw/zinc/02/83/90/1103028390.db2.gz PGYSHACTEAQRIU-QGZVFWFLSA-N -1 3 366.490 4.124 20 0 FIADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000551433061 1103214107 /nfs/dbraw/zinc/21/41/07/1103214107.db2.gz DDLNVWNSUQFXNL-KRWDZBQOSA-N -1 3 367.367 4.410 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2c[nH]cc2-c2ccccc2F)[nH][n-]1 ZINC000427092487 1103242069 /nfs/dbraw/zinc/24/20/69/1103242069.db2.gz JVGYEZNFNQVGNC-UHFFFAOYSA-N -1 3 360.392 4.194 20 0 FIADHM CN(c1ccccc1)c1ccccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000507248133 1103251251 /nfs/dbraw/zinc/25/12/51/1103251251.db2.gz SWTFSKWDHZMSOW-UHFFFAOYSA-N -1 3 359.389 4.085 20 0 FIADHM COc1ccc([C@H](C)NCc2cccc([O-])c2Br)cc1F ZINC000315425615 1103253515 /nfs/dbraw/zinc/25/35/15/1103253515.db2.gz SUEMEWXLTMJAOU-JTQLQIEISA-N -1 3 354.219 4.153 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnn2c1nccc2-c1ccccc1 ZINC000532836519 1103259145 /nfs/dbraw/zinc/25/91/45/1103259145.db2.gz CGKXSCQISWTJLO-UHFFFAOYSA-N -1 3 364.792 4.008 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2coc(-c3ccc(Cl)cc3)n2)n1 ZINC000477358558 1103397673 /nfs/dbraw/zinc/39/76/73/1103397673.db2.gz WCNRKDQXIVNETC-UHFFFAOYSA-N -1 3 361.854 4.486 20 0 FIADHM CCOC(=O)c1cc([N-]C(=O)c2cc(C(CC)CC)no2)c(F)cc1C ZINC000551681821 1103502470 /nfs/dbraw/zinc/50/24/70/1103502470.db2.gz XULZQFAYWJYZLD-UHFFFAOYSA-N -1 3 362.401 4.455 20 0 FIADHM CC(=O)Nc1ccc(-c2nc3ccc(C)cc3c(=O)[n-]2)cc1C(F)(F)F ZINC000507709924 1103647520 /nfs/dbraw/zinc/64/75/20/1103647520.db2.gz SAVWORMUUVNGBG-UHFFFAOYSA-N -1 3 361.323 4.288 20 0 FIADHM COc1ccc(CCCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000520303029 1104251368 /nfs/dbraw/zinc/25/13/68/1104251368.db2.gz HFVBALITMNRQNX-UHFFFAOYSA-N -1 3 364.239 4.125 20 0 FIADHM C[C@@H](CCC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000441428783 1104591962 /nfs/dbraw/zinc/59/19/62/1104591962.db2.gz KQCHOYGHRMPIKM-ZDUSSCGKSA-N -1 3 362.267 4.355 20 0 FIADHM Cc1nnc([N-]C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)s1 ZINC000188614938 1104744793 /nfs/dbraw/zinc/74/47/93/1104744793.db2.gz TZMWEVSTFQKTFR-UHFFFAOYSA-N -1 3 369.324 4.257 20 0 FIADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000520469346 1104808618 /nfs/dbraw/zinc/80/86/18/1104808618.db2.gz SGNOJLCYYUEXFG-IBGZPJMESA-N -1 3 374.444 4.275 20 0 FIADHM CC(C)(C)c1cnc(CNC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000417547803 1104960303 /nfs/dbraw/zinc/96/03/03/1104960303.db2.gz PCOCNZGKOZVMTK-CYBMUJFWSA-N -1 3 366.914 4.127 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccsc1)c1ccc(Br)cc1 ZINC000417642611 1105043516 /nfs/dbraw/zinc/04/35/16/1105043516.db2.gz WECBFQWIHAYUCO-HZMBPMFUSA-N -1 3 354.269 4.062 20 0 FIADHM Cc1ccsc1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000508064063 1105316534 /nfs/dbraw/zinc/31/65/34/1105316534.db2.gz QNQVJSLXEVOOIH-UHFFFAOYSA-N -1 3 352.246 4.428 20 0 FIADHM Cc1ccc2nc(C3CC3)cc(C(=O)NCc3ccc([O-])c(F)c3)c2c1 ZINC000427942115 1105322571 /nfs/dbraw/zinc/32/25/71/1105322571.db2.gz SNBOJPLJJNMTPU-UHFFFAOYSA-N -1 3 350.393 4.195 20 0 FIADHM O=C([O-])c1ccc(CN2CCC[C@]3(CCc4ccccc4O3)C2)cc1Cl ZINC000530173041 1106902140 /nfs/dbraw/zinc/90/21/40/1106902140.db2.gz SARHFYGBJFBJLQ-NRFANRHFSA-N -1 3 371.864 4.398 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(C(F)(F)F)c3)nc2)n1 ZINC000301197528 1106960594 /nfs/dbraw/zinc/96/05/94/1106960594.db2.gz ZZIBNNTYBUETOG-UHFFFAOYSA-N -1 3 374.366 4.438 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)Cc3ccc(C)s3)nc2)n1 ZINC000301363830 1107004779 /nfs/dbraw/zinc/00/47/79/1107004779.db2.gz NCGWWQQAOSXTJO-LBPRGKRZSA-N -1 3 354.479 4.220 20 0 FIADHM Cc1csc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000451356569 1107049419 /nfs/dbraw/zinc/04/94/19/1107049419.db2.gz BGYOCMLTRJJFRF-GFCCVEGCSA-N -1 3 367.389 4.168 20 0 FIADHM O=C(Cc1coc2cc(F)ccc12)Nc1ccc(Br)cc1[O-] ZINC000530643952 1107208795 /nfs/dbraw/zinc/20/87/95/1107208795.db2.gz WJWCCHHUELJKLS-UHFFFAOYSA-N -1 3 364.170 4.221 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cccc(F)c3F)nc2)n1 ZINC000301929548 1107217041 /nfs/dbraw/zinc/21/70/41/1107217041.db2.gz NWPKWRXUJMYTJS-LLVKDONJSA-N -1 3 356.376 4.258 20 0 FIADHM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(F)c(F)cc3Cl)c2n1 ZINC000530771399 1107309433 /nfs/dbraw/zinc/30/94/33/1107309433.db2.gz SIOTYSLJGYPHPJ-UHFFFAOYSA-N -1 3 368.792 4.276 20 0 FIADHM Cc1ccc(-c2ocnc2C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000530777428 1107314077 /nfs/dbraw/zinc/31/40/77/1107314077.db2.gz CJMPAXDQJYHNNE-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000530777758 1107314281 /nfs/dbraw/zinc/31/42/81/1107314281.db2.gz RLQMOYRULWIOIK-NXEZZACHSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(Cc1c(F)cccc1Cl)Nc1cc(Br)ccc1[O-] ZINC000530917543 1107395024 /nfs/dbraw/zinc/39/50/24/1107395024.db2.gz SOZTYPIEFPOCKV-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM Cc1[nH]c(=O)c(C(=O)Nc2cc(Cl)ccc2[O-])cc1-c1ccccc1 ZINC000530941545 1107416572 /nfs/dbraw/zinc/41/65/72/1107416572.db2.gz CTYMTTWUJKXEPV-UHFFFAOYSA-N -1 3 354.793 4.374 20 0 FIADHM Cc1nn(-c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2)c(C)c1Cl ZINC000531134788 1107568815 /nfs/dbraw/zinc/56/88/15/1107568815.db2.gz JGXAJUMNUWCEEE-UHFFFAOYSA-N -1 3 359.788 4.240 20 0 FIADHM O=C(C/C=C/c1ccccc1F)Nc1ccc(Br)cc1[O-] ZINC000531176385 1107628103 /nfs/dbraw/zinc/62/81/03/1107628103.db2.gz FMSKXGFQQQEEOD-HWKANZROSA-N -1 3 350.187 4.336 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1C ZINC000614761494 1107658944 /nfs/dbraw/zinc/65/89/44/1107658944.db2.gz MLCZYDQIANTVEU-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000531253828 1107703252 /nfs/dbraw/zinc/70/32/52/1107703252.db2.gz JIDDXIGHDDLVNP-RYUDHWBXSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000531373472 1107816321 /nfs/dbraw/zinc/81/63/21/1107816321.db2.gz JQHDPBFCPVEOSO-UHFFFAOYSA-N -1 3 354.259 4.164 20 0 FIADHM CSc1ccc(C)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000531394135 1107821551 /nfs/dbraw/zinc/82/15/51/1107821551.db2.gz AWVOIXRAHIPMNR-UHFFFAOYSA-N -1 3 352.253 4.437 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc4c(c3)CCCC4)nc2)n1 ZINC000111107237 1107912435 /nfs/dbraw/zinc/91/24/35/1107912435.db2.gz ADEGHUWNFICWCI-OAHLLOKOSA-N -1 3 374.488 4.446 20 0 FIADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000531492965 1107928782 /nfs/dbraw/zinc/92/87/82/1107928782.db2.gz XUIPXYBDRLVNPX-AWEZNQCLSA-N -1 3 368.202 4.090 20 0 FIADHM O=C(CCc1cccc(F)c1F)Nc1cc(Br)ccc1[O-] ZINC000531492678 1107929113 /nfs/dbraw/zinc/92/91/13/1107929113.db2.gz JTZKDJUOOKACCQ-UHFFFAOYSA-N -1 3 356.166 4.004 20 0 FIADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000523468407 1108240519 /nfs/dbraw/zinc/24/05/19/1108240519.db2.gz HBAGPYHYWAETGL-JTQLQIEISA-N -1 3 371.239 4.269 20 0 FIADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1Cl ZINC000445024234 1108383535 /nfs/dbraw/zinc/38/35/35/1108383535.db2.gz VNUZKJAUMFWJEA-SECBINFHSA-N -1 3 357.212 4.399 20 0 FIADHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])c1cccc(F)c1 ZINC000532283887 1108750952 /nfs/dbraw/zinc/75/09/52/1108750952.db2.gz UFJJCAGWSYJTCV-UHFFFAOYSA-N -1 3 352.203 4.210 20 0 FIADHM Cc1nc(-c2ccccc2)c(C(=O)[N-]c2nnc(C(F)F)s2)s1 ZINC000193928152 1108799035 /nfs/dbraw/zinc/79/90/35/1108799035.db2.gz FDYCUIDDYJRBLH-UHFFFAOYSA-N -1 3 352.391 4.160 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)s1 ZINC000524133606 1108862863 /nfs/dbraw/zinc/86/28/63/1108862863.db2.gz RGUZDJKYNZSSEQ-UHFFFAOYSA-N -1 3 362.505 4.269 20 0 FIADHM Cc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)c2cccnc2c1C ZINC000446818442 1109344836 /nfs/dbraw/zinc/34/48/36/1109344836.db2.gz QWKGYVYQZOAATB-UHFFFAOYSA-N -1 3 362.401 4.072 20 0 FIADHM C[C@H](Sc1cnccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000525685298 1109477358 /nfs/dbraw/zinc/47/73/58/1109477358.db2.gz QNNLGHGYKRXYOH-VIFPVBQESA-N -1 3 356.432 4.300 20 0 FIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000447280319 1109494447 /nfs/dbraw/zinc/49/44/47/1109494447.db2.gz WCFOTPGGKDORBZ-UHFFFAOYSA-N -1 3 368.188 4.081 20 0 FIADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000447400917 1109534151 /nfs/dbraw/zinc/53/41/51/1109534151.db2.gz SYFAOPXGNDARPY-UHFFFAOYSA-N -1 3 357.406 4.302 20 0 FIADHM C[C@@H](C1CCCCC1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000447725690 1109626915 /nfs/dbraw/zinc/62/69/15/1109626915.db2.gz BXFVLAZUTOWREU-LBPRGKRZSA-N -1 3 369.303 4.265 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447709682 1109629537 /nfs/dbraw/zinc/62/95/37/1109629537.db2.gz LGLMHKYDDSFGHC-QGZVFWFLSA-N -1 3 373.321 4.255 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3ccccc3C(F)(F)F)CC2)n1 ZINC000447853726 1109659531 /nfs/dbraw/zinc/65/95/31/1109659531.db2.gz IFPSRHMHHZSGQO-CYBMUJFWSA-N -1 3 365.399 4.450 20 0 FIADHM O=C(N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc2n[n-]nc21 ZINC000527362076 1109749411 /nfs/dbraw/zinc/74/94/11/1109749411.db2.gz MFOUJGVWJDIXBE-ZFWWWQNUSA-N -1 3 374.366 4.043 20 0 FIADHM O=C(Nc1ccccc1-c1c(F)cccc1F)c1cccc2n[n-]nc21 ZINC000527364105 1109750331 /nfs/dbraw/zinc/75/03/31/1109750331.db2.gz PHHHMAATCIMTEX-UHFFFAOYSA-N -1 3 350.328 4.155 20 0 FIADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H]1c1cccs1 ZINC000527683666 1109810810 /nfs/dbraw/zinc/81/08/10/1109810810.db2.gz NVLHPFQOPRJPIV-ZDUSSCGKSA-N -1 3 352.253 4.194 20 0 FIADHM COc1ccc([C@H]2CCCCCN2C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448612147 1109846572 /nfs/dbraw/zinc/84/65/72/1109846572.db2.gz IPROTXOFFHAIQN-LJQANCHMSA-N -1 3 357.425 4.226 20 0 FIADHM [O-]c1ccc(F)c(CN[C@@H]2CCc3c2ccc(F)c3Br)c1F ZINC000449549566 1110106705 /nfs/dbraw/zinc/10/67/05/1110106705.db2.gz ZECJBYDOGLLZDS-CYBMUJFWSA-N -1 3 372.184 4.349 20 0 FIADHM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cc(CN2CCCC2)on1 ZINC000529540281 1110284513 /nfs/dbraw/zinc/28/45/13/1110284513.db2.gz XBGAQMHOWPZGFD-UHFFFAOYSA-N -1 3 371.824 4.035 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1Br ZINC000461435053 1111220811 /nfs/dbraw/zinc/22/08/11/1111220811.db2.gz GUAQMLYORBDARI-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000478004987 1111645585 /nfs/dbraw/zinc/64/55/85/1111645585.db2.gz UOQPIYNHVXPWMQ-UHFFFAOYSA-N -1 3 353.397 4.191 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1[O-] ZINC000552287469 1111651918 /nfs/dbraw/zinc/65/19/18/1111651918.db2.gz SUIJOLSNXOLTDL-UHFFFAOYSA-N -1 3 370.405 4.034 20 0 FIADHM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000552433432 1111705243 /nfs/dbraw/zinc/70/52/43/1111705243.db2.gz JIALFBSLMIHBDO-SECBINFHSA-N -1 3 370.630 4.214 20 0 FIADHM CCC1(Cc2ccccc2)CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000478290279 1111736108 /nfs/dbraw/zinc/73/61/08/1111736108.db2.gz OGVVKUVMVUQXAI-UHFFFAOYSA-N -1 3 374.484 4.403 20 0 FIADHM CSc1ccc([O-])c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000667374130 1111845303 /nfs/dbraw/zinc/84/53/03/1111845303.db2.gz KFZNJKODMRJLHD-KRWDZBQOSA-N -1 3 369.446 4.094 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000478913102 1111916093 /nfs/dbraw/zinc/91/60/93/1111916093.db2.gz TUYAFTQZDNOEKI-INIZCTEOSA-N -1 3 368.481 4.448 20 0 FIADHM CCCCn1ncc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1C(C)C ZINC000480208116 1112332548 /nfs/dbraw/zinc/33/25/48/1112332548.db2.gz HRAASZMHBUZRQJ-MRXNPFEDSA-N -1 3 363.527 4.352 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000554416690 1112337785 /nfs/dbraw/zinc/33/77/85/1112337785.db2.gz GVFPFEILRHXPRI-SIFUEBAJSA-N -1 3 366.490 4.308 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000554416686 1112338252 /nfs/dbraw/zinc/33/82/52/1112338252.db2.gz GVFPFEILRHXPRI-BLIJAFNYSA-N -1 3 366.490 4.308 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(-c4ccccc4)no3)nc2)n1 ZINC000480430573 1112427589 /nfs/dbraw/zinc/42/75/89/1112427589.db2.gz IEFXKJHNBWUTIA-UHFFFAOYSA-N -1 3 373.416 4.074 20 0 FIADHM CCc1cccc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000554902650 1112554283 /nfs/dbraw/zinc/55/42/83/1112554283.db2.gz ZVTNHRYXAYFLOB-PKOBYXMFSA-N -1 3 357.425 4.086 20 0 FIADHM CC1(C)CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@H]1c1cccs1 ZINC000899128478 1112624575 /nfs/dbraw/zinc/62/45/75/1112624575.db2.gz QCGBMSWQTDIVJK-KRWDZBQOSA-N -1 3 374.412 4.091 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000555067722 1112650295 /nfs/dbraw/zinc/65/02/95/1112650295.db2.gz PYKAFGGXSDIESA-MRXNPFEDSA-N -1 3 363.816 4.006 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000448653936 1112913701 /nfs/dbraw/zinc/91/37/01/1112913701.db2.gz FESRCUBAURXNIH-UHFFFAOYSA-N -1 3 367.342 4.284 20 0 FIADHM CC1(C)CO[C@H](c2ccccc2)CN1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000568060866 1113349611 /nfs/dbraw/zinc/34/96/11/1113349611.db2.gz RAGCOUIONYODEX-UXHICEINSA-N -1 3 353.462 4.097 20 0 FIADHM O=c1cc(C=Cc2ccc(F)c(C(F)(F)F)c2)nc(-c2ccncc2)[n-]1 ZINC000486005591 1113487906 /nfs/dbraw/zinc/48/79/06/1113487906.db2.gz NIUVMPKOKLXVLY-IWQZZHSRSA-N -1 3 361.298 4.160 20 0 FIADHM COc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c2ccccc12 ZINC000486053331 1113492910 /nfs/dbraw/zinc/49/29/10/1113492910.db2.gz QUHYTTJFGQDKHL-VURMDHGXSA-N -1 3 355.397 4.164 20 0 FIADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 ZINC000486107382 1113506611 /nfs/dbraw/zinc/50/66/11/1113506611.db2.gz QQZSJQZQRZRGTR-VFZGTOFNSA-N -1 3 371.380 4.361 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1c(Cl)cncc1Cl ZINC000486109685 1113507219 /nfs/dbraw/zinc/50/72/19/1113507219.db2.gz YFRBTQDFGBVIMO-UHFFFAOYSA-N -1 3 351.111 4.365 20 0 FIADHM O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cc([O-])ccc1Cl ZINC000486393671 1113559234 /nfs/dbraw/zinc/55/92/34/1113559234.db2.gz MMDJEDJXVWLMAW-UHFFFAOYSA-N -1 3 355.703 4.193 20 0 FIADHM CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486424752 1113564560 /nfs/dbraw/zinc/56/45/60/1113564560.db2.gz OQHWMHVTCRVZLO-DZGCQCFKSA-N -1 3 369.303 4.265 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)c(Br)c1 ZINC000166122969 1113617839 /nfs/dbraw/zinc/61/78/39/1113617839.db2.gz XJGJRYVKPDZBLI-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CC(C)Oc1cc(CN(C(=O)c2cc([O-])ccc2Cl)C2CC2)ccn1 ZINC000487941196 1113830239 /nfs/dbraw/zinc/83/02/39/1113830239.db2.gz DYGWCVIAUXQRAJ-UHFFFAOYSA-N -1 3 360.841 4.033 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-c2ccccc2)[nH]1 ZINC000488674915 1113974578 /nfs/dbraw/zinc/97/45/78/1113974578.db2.gz IDSCSACIHRSHJF-UHFFFAOYSA-N -1 3 371.234 4.080 20 0 FIADHM COc1cc(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)cc(OC)c1[O-] ZINC000490427571 1114286422 /nfs/dbraw/zinc/28/64/22/1114286422.db2.gz BYIQOJJBNUVNLX-IBGZPJMESA-N -1 3 373.424 4.210 20 0 FIADHM COc1cc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)cc(OC)c1[O-] ZINC000490433535 1114290637 /nfs/dbraw/zinc/29/06/37/1114290637.db2.gz UVHCSBPSHVTPNZ-IBGZPJMESA-N -1 3 373.424 4.210 20 0 FIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1nc2ccccc2n1C(F)F ZINC000913295544 1114324379 /nfs/dbraw/zinc/32/43/79/1114324379.db2.gz HSCFXLZFMSAEEC-SNVBAGLBSA-N -1 3 372.331 4.333 20 0 FIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1nc2ccccc2n1C(F)F ZINC000913295544 1114324384 /nfs/dbraw/zinc/32/43/84/1114324384.db2.gz HSCFXLZFMSAEEC-SNVBAGLBSA-N -1 3 372.331 4.333 20 0 FIADHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1sc2cc(F)ccc2c1Cl ZINC000586758158 1114388562 /nfs/dbraw/zinc/38/85/62/1114388562.db2.gz BQRLVOYEFVXHNZ-UHFFFAOYSA-N -1 3 372.812 4.153 20 0 FIADHM Cc1nscc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000571478677 1114467607 /nfs/dbraw/zinc/46/76/07/1114467607.db2.gz AIZMIVRTPSYVQR-CYBMUJFWSA-N -1 3 356.476 4.024 20 0 FIADHM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000055577188 1114496863 /nfs/dbraw/zinc/49/68/63/1114496863.db2.gz JOOJHWWSULSEBI-YPKPFQOOSA-N -1 3 367.474 4.210 20 0 FIADHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)sc1-c1ccc(F)cc1 ZINC000588090296 1114522771 /nfs/dbraw/zinc/52/27/71/1114522771.db2.gz WPJDWWCWXYVSHQ-UHFFFAOYSA-N -1 3 370.331 4.252 20 0 FIADHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)sc1-c1ccc(F)cc1 ZINC000588090296 1114522774 /nfs/dbraw/zinc/52/27/74/1114522774.db2.gz WPJDWWCWXYVSHQ-UHFFFAOYSA-N -1 3 370.331 4.252 20 0 FIADHM Cc1c([O-])ccc2c(CN[C@H](C)c3ccccc3OC(C)C)cc(=O)oc12 ZINC000056161599 1114614344 /nfs/dbraw/zinc/61/43/44/1114614344.db2.gz GOOQWFVUIGCPNM-OAHLLOKOSA-N -1 3 367.445 4.445 20 0 FIADHM CSc1ccc(Cl)c(C(=O)[N-]NC(=O)c2ccc3ccccc3c2)c1 ZINC000057096193 1114875270 /nfs/dbraw/zinc/87/52/70/1114875270.db2.gz NRWORBKRBLSJME-UHFFFAOYSA-N -1 3 370.861 4.290 20 0 FIADHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(C)n1C1CCCCC1 ZINC000590306732 1114921818 /nfs/dbraw/zinc/92/18/18/1114921818.db2.gz UHGZGVPUJGNKSE-UHFFFAOYSA-N -1 3 353.426 4.241 20 0 FIADHM COCc1cccc2sc([N-]C(=O)c3cc(-c4ccccc4)no3)nc21 ZINC000591268354 1115051915 /nfs/dbraw/zinc/05/19/15/1115051915.db2.gz QENYTHXQADKVPV-UHFFFAOYSA-N -1 3 365.414 4.350 20 0 FIADHM CN(CCCc1ccccc1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058205811 1115139630 /nfs/dbraw/zinc/13/96/30/1115139630.db2.gz VXJZASDVHPWMBH-UHFFFAOYSA-N -1 3 358.536 4.115 20 0 FIADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccs1 ZINC000591816675 1115149184 /nfs/dbraw/zinc/14/91/84/1115149184.db2.gz ZSCCLPHASFSJNJ-CYBMUJFWSA-N -1 3 363.426 4.231 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1cccc(Cl)c1Cl ZINC000592819841 1115266795 /nfs/dbraw/zinc/26/67/95/1115266795.db2.gz CIYNSLIRDZCHAE-CYBMUJFWSA-N -1 3 360.237 4.098 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(C)(C(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000592877730 1115269076 /nfs/dbraw/zinc/26/90/76/1115269076.db2.gz OPKPMXNCUNOOHX-UHFFFAOYSA-N -1 3 361.482 4.100 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000669478930 1115308401 /nfs/dbraw/zinc/30/84/01/1115308401.db2.gz TZZRRNUJQLBFAM-GDIGMMSISA-N -1 3 369.461 4.275 20 0 FIADHM CC(C)c1ccc(C2(C(=O)Nc3nnc(C(F)(F)F)[n-]3)CCCC2)cc1 ZINC000594591586 1115462771 /nfs/dbraw/zinc/46/27/71/1115462771.db2.gz OHJYMNQXHPUWHJ-UHFFFAOYSA-N -1 3 366.387 4.397 20 0 FIADHM CC(C)c1ccc(C2(C(=O)Nc3nc(C(F)(F)F)n[n-]3)CCCC2)cc1 ZINC000594591586 1115462775 /nfs/dbraw/zinc/46/27/75/1115462775.db2.gz OHJYMNQXHPUWHJ-UHFFFAOYSA-N -1 3 366.387 4.397 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3CC(C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000575218382 1115548980 /nfs/dbraw/zinc/54/89/80/1115548980.db2.gz OOOKJXHCAFDYMZ-UHFFFAOYSA-N -1 3 354.454 4.104 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000596754558 1115613060 /nfs/dbraw/zinc/61/30/60/1115613060.db2.gz QIURQRYZTGBCCN-UHFFFAOYSA-N -1 3 365.216 4.078 20 0 FIADHM COC(=O)c1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)c(C)o1 ZINC000597273205 1115655155 /nfs/dbraw/zinc/65/51/55/1115655155.db2.gz LUMMYKQSVCWRKN-UHFFFAOYSA-N -1 3 373.352 4.123 20 0 FIADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000061035523 1115756558 /nfs/dbraw/zinc/75/65/58/1115756558.db2.gz LTKOENNXAOTYCH-UHFFFAOYSA-N -1 3 366.433 4.002 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c([O-])c1 ZINC000669727950 1115920456 /nfs/dbraw/zinc/92/04/56/1115920456.db2.gz MIJRQCFEBUDLPZ-KRWDZBQOSA-N -1 3 367.493 4.068 20 0 FIADHM CCCn1c(C)c(C(=O)NCc2ccc([O-])c(F)c2)c2cc(OC)ccc21 ZINC000606537228 1115953861 /nfs/dbraw/zinc/95/38/61/1115953861.db2.gz FMNBRSPHCDLXSV-UHFFFAOYSA-N -1 3 370.424 4.143 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000606537232 1115953936 /nfs/dbraw/zinc/95/39/36/1115953936.db2.gz FSOSPTJYUASRMN-STQMWFEESA-N -1 3 354.208 4.258 20 0 FIADHM O=C(CCCOc1cccc(Cl)c1Cl)NCc1ccc([O-])c(F)c1 ZINC000606536802 1115953972 /nfs/dbraw/zinc/95/39/72/1115953972.db2.gz JLVCRHOVCUFEEV-UHFFFAOYSA-N -1 3 372.223 4.314 20 0 FIADHM COc1ccc([C@H]2CCCCCN2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606714552 1115965374 /nfs/dbraw/zinc/96/53/74/1115965374.db2.gz CYCMNKIYKKUWOE-LJQANCHMSA-N -1 3 372.440 4.367 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000606827655 1115973791 /nfs/dbraw/zinc/97/37/91/1115973791.db2.gz AIORQDDFYUWIIV-UHFFFAOYSA-N -1 3 363.454 4.394 20 0 FIADHM Cc1csc(-c2cccc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)c2)n1 ZINC000606928394 1115984961 /nfs/dbraw/zinc/98/49/61/1115984961.db2.gz FDQAUKSMCXYYFF-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM COCCN(Cc1c2c(ccc1[O-])oc1c2CCCC1)CC(F)(F)F ZINC000063281620 1116039065 /nfs/dbraw/zinc/03/90/65/1116039065.db2.gz OKKJNPWGZYCHNW-UHFFFAOYSA-N -1 3 357.372 4.028 20 0 FIADHM CC[C@@H]1CCc2nc([N-]C(=O)c3noc(-c4cccc(F)c4)n3)sc2C1 ZINC000608010582 1116078253 /nfs/dbraw/zinc/07/82/53/1116078253.db2.gz SMSYKKZTZXGMKN-SNVBAGLBSA-N -1 3 372.425 4.099 20 0 FIADHM CC[C@H]1CCc2nc([N-]C(=O)c3noc(-c4cccc(F)c4)n3)sc2C1 ZINC000608010581 1116078316 /nfs/dbraw/zinc/07/83/16/1116078316.db2.gz SMSYKKZTZXGMKN-JTQLQIEISA-N -1 3 372.425 4.099 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1OCc1ccncc1 ZINC000533972674 1116096374 /nfs/dbraw/zinc/09/63/74/1116096374.db2.gz KYEAARLJTYRAQS-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c(C)c1 ZINC000534207919 1116169530 /nfs/dbraw/zinc/16/95/30/1116169530.db2.gz WDUYCKRDNONICQ-UHFFFAOYSA-N -1 3 352.459 4.090 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C2CCCC2)c1 ZINC000535102750 1116270156 /nfs/dbraw/zinc/27/01/56/1116270156.db2.gz ZNWDMMQAECZGQT-HXUWFJFHSA-N -1 3 352.434 4.012 20 0 FIADHM C[C@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000535120979 1116271456 /nfs/dbraw/zinc/27/14/56/1116271456.db2.gz SFLLROQFBBAUMY-GFCCVEGCSA-N -1 3 374.366 4.045 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(-c2ccccn2)ccc1Cl ZINC000535130783 1116272486 /nfs/dbraw/zinc/27/24/86/1116272486.db2.gz VMPYDXWMHMHFCW-UHFFFAOYSA-N -1 3 374.831 4.466 20 0 FIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535133978 1116272677 /nfs/dbraw/zinc/27/26/77/1116272677.db2.gz LBCYPTKRFAKLMA-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1cccs1 ZINC000462500220 1116363510 /nfs/dbraw/zinc/36/35/10/1116363510.db2.gz KOFLMTPYNIBQKD-SNVBAGLBSA-N -1 3 364.319 4.212 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1 ZINC000539858428 1116391626 /nfs/dbraw/zinc/39/16/26/1116391626.db2.gz LPWUWWRGKUQGAZ-UHFFFAOYSA-N -1 3 359.275 4.156 20 0 FIADHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462697793 1116392227 /nfs/dbraw/zinc/39/22/27/1116392227.db2.gz OPRNPKGEAVTMHC-LBPRGKRZSA-N -1 3 374.289 4.048 20 0 FIADHM O=c1[n-]c(-c2ccc(Br)o2)nc2sc3c(c21)CCSC3 ZINC000463228199 1118037188 /nfs/dbraw/zinc/03/71/88/1118037188.db2.gz AFIPOMJJQJYQOH-UHFFFAOYSA-N -1 3 369.265 4.209 20 0 FIADHM Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000541515778 1118536705 /nfs/dbraw/zinc/53/67/05/1118536705.db2.gz LPXBEVDYZSFDTQ-UHFFFAOYSA-N -1 3 369.446 4.245 20 0 FIADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C)c3[O-])n2)cc1 ZINC000302001024 1118591445 /nfs/dbraw/zinc/59/14/45/1118591445.db2.gz XQJNNCMEDYFGGS-UHFFFAOYSA-N -1 3 367.430 4.035 20 0 FIADHM CCSc1cccc(Br)c1[N-]C(=O)c1ccncc1F ZINC000464710224 1118660457 /nfs/dbraw/zinc/66/04/57/1118660457.db2.gz JFJMBHOBHPHEOV-UHFFFAOYSA-N -1 3 355.232 4.348 20 0 FIADHM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000464748236 1118677811 /nfs/dbraw/zinc/67/78/11/1118677811.db2.gz CWOBMAQRWQJERD-AWEZNQCLSA-N -1 3 360.429 4.016 20 0 FIADHM O=C([N-]c1csc(-c2ccccn2)n1)c1cc(-c2cccs2)on1 ZINC000542458249 1118936409 /nfs/dbraw/zinc/93/64/09/1118936409.db2.gz HONCFKOYIVUQQK-UHFFFAOYSA-N -1 3 354.416 4.174 20 0 FIADHM Cc1ccc(-c2nnc([N-]C(=O)c3csc(C4CC4)n3)s2)c(C)c1 ZINC000491979101 1119000345 /nfs/dbraw/zinc/00/03/45/1119000345.db2.gz OSUHONUXWHYZCQ-UHFFFAOYSA-N -1 3 356.476 4.408 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cscc2Cl)s1 ZINC000913814227 1119019366 /nfs/dbraw/zinc/01/93/66/1119019366.db2.gz QQDSVOUDRFMJMM-UHFFFAOYSA-N -1 3 359.860 4.457 20 0 FIADHM CC[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@@H]1c1ccccc1 ZINC000174886157 1119159532 /nfs/dbraw/zinc/15/95/32/1119159532.db2.gz HXCAISQIJSKYNT-HOCLYGCPSA-N -1 3 353.491 4.000 20 0 FIADHM CC[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@@H]1c1ccccc1 ZINC000174886137 1119159566 /nfs/dbraw/zinc/15/95/66/1119159566.db2.gz HXCAISQIJSKYNT-ZBFHGGJFSA-N -1 3 353.491 4.000 20 0 FIADHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000152828737 1119515784 /nfs/dbraw/zinc/51/57/84/1119515784.db2.gz KWUADTSKHUEBRT-SFHVURJKSA-N -1 3 372.469 4.058 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)c2ccccc21 ZINC000494030149 1119527755 /nfs/dbraw/zinc/52/77/55/1119527755.db2.gz ZQVIZJQYTGXLOK-CYBMUJFWSA-N -1 3 360.388 4.311 20 0 FIADHM CCc1ccc(C(=O)N(CC)Cc2ccccc2Br)c([O-])c1 ZINC001626012534 1119829168 /nfs/dbraw/zinc/82/91/68/1119829168.db2.gz JNYGBQISZFBRPO-UHFFFAOYSA-N -1 3 362.267 4.379 20 0 FIADHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(CC(F)(F)F)cc1 ZINC000189226078 1119866455 /nfs/dbraw/zinc/86/64/55/1119866455.db2.gz IPIDMLHHVQIXLF-UHFFFAOYSA-N -1 3 369.286 4.010 20 0 FIADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000494551848 1119908853 /nfs/dbraw/zinc/90/88/53/1119908853.db2.gz GIKQZVMSGMMAEA-CYBMUJFWSA-N -1 3 351.493 4.387 20 0 FIADHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1cc([O-])ccc1Cl ZINC000494583156 1119914693 /nfs/dbraw/zinc/91/46/93/1119914693.db2.gz HLKCOMYNMKJOSK-UHFFFAOYSA-N -1 3 354.208 4.300 20 0 FIADHM O=c1nc(CSCC[C@@H]2CCCO2)[n-]c2scc(-c3ccco3)c21 ZINC000190006576 1119923768 /nfs/dbraw/zinc/92/37/68/1119923768.db2.gz UQSLRPKGZPBWMJ-NSHDSACASA-N -1 3 362.476 4.047 20 0 FIADHM CCc1cc(=O)[n-]c(CNC2(c3cc(C(F)(F)F)ccc3Cl)CC2)n1 ZINC000191252920 1119967440 /nfs/dbraw/zinc/96/74/40/1119967440.db2.gz CZCPZAILTDNAGR-UHFFFAOYSA-N -1 3 371.790 4.196 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1C ZINC000494602714 1119988031 /nfs/dbraw/zinc/98/80/31/1119988031.db2.gz PWERZIRLRQGXBX-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM Cc1ccc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nc1 ZINC000192452086 1120062541 /nfs/dbraw/zinc/06/25/41/1120062541.db2.gz XOOSCZOMKAOULF-UHFFFAOYSA-N -1 3 355.444 4.240 20 0 FIADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1c(Cl)cccc1Cl ZINC000193030811 1120095194 /nfs/dbraw/zinc/09/51/94/1120095194.db2.gz BATHZGZFPCFQLV-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(F)cc3C)c2C1 ZINC000542518401 1120349263 /nfs/dbraw/zinc/34/92/63/1120349263.db2.gz YCKXQPONJUCYJK-UHFFFAOYSA-N -1 3 362.470 4.051 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1OC1CCCC1 ZINC000032098510 1120384055 /nfs/dbraw/zinc/38/40/55/1120384055.db2.gz LWTJYWDTVPSLDU-UHFFFAOYSA-N -1 3 361.463 4.126 20 0 FIADHM O=C(CCc1ccc(Cl)cc1)Nc1ccc(Br)cc1[O-] ZINC000642323497 1120470046 /nfs/dbraw/zinc/47/00/46/1120470046.db2.gz DPXUZVBREHFVMH-UHFFFAOYSA-N -1 3 354.631 4.379 20 0 FIADHM COc1ccc(NC(=O)[C@H](OC(=O)c2cc3ccsc3[n-]2)C(C)C)cc1 ZINC000914888973 1120626548 /nfs/dbraw/zinc/62/65/48/1120626548.db2.gz DAHYEWZLXIZYJF-MRXNPFEDSA-N -1 3 372.446 4.058 20 0 FIADHM CC(C)C[C@@H](NC(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000914891800 1120630009 /nfs/dbraw/zinc/63/00/09/1120630009.db2.gz UJRFXKLZRXSHAV-MRXNPFEDSA-N -1 3 370.474 4.290 20 0 FIADHM CC(C)C[C@H](NC(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000914891799 1120630170 /nfs/dbraw/zinc/63/01/70/1120630170.db2.gz UJRFXKLZRXSHAV-INIZCTEOSA-N -1 3 370.474 4.290 20 0 FIADHM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(OCC)cc3)ccc21 ZINC000303067678 1120730068 /nfs/dbraw/zinc/73/00/68/1120730068.db2.gz WFOVFRXRBZPVDI-UHFFFAOYSA-N -1 3 358.463 4.251 20 0 FIADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(Cl)cc(Cl)n1 ZINC000762449332 1120911805 /nfs/dbraw/zinc/91/18/05/1120911805.db2.gz RLSNTDSWSURSSP-UHFFFAOYSA-N -1 3 357.247 4.221 20 0 FIADHM CN(C)c1cc(CSc2nnc([N-]c3ccccc3F)s2)ccn1 ZINC000762468459 1120911978 /nfs/dbraw/zinc/91/19/78/1120911978.db2.gz JPRVVTANLQNQLQ-UHFFFAOYSA-N -1 3 361.471 4.174 20 0 FIADHM CCOc1cc(CN[C@@H](c2nccn2C)c2ccccc2)cc(Cl)c1[O-] ZINC000642339722 1120913253 /nfs/dbraw/zinc/91/32/53/1120913253.db2.gz AWPLICUGXPVACQ-GOSISDBHSA-N -1 3 371.868 4.057 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1cncc(Cl)c1 ZINC000762594065 1120936461 /nfs/dbraw/zinc/93/64/61/1120936461.db2.gz HMWCTYWXRMLUSU-UHFFFAOYSA-N -1 3 372.060 4.496 20 0 FIADHM CC(C)(C)CCOC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000915483290 1120956514 /nfs/dbraw/zinc/95/65/14/1120956514.db2.gz FUPSBSIXQLZZEL-LJQANCHMSA-N -1 3 369.461 4.233 20 0 FIADHM CCC(CC)(CC)SCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000762970371 1121055688 /nfs/dbraw/zinc/05/56/88/1121055688.db2.gz SYPUXWNYHXATLZ-UHFFFAOYSA-N -1 3 368.524 4.282 20 0 FIADHM CC(C)c1noc(CSc2nnc([N-]c3ccccc3F)s2)n1 ZINC000042619029 1121164055 /nfs/dbraw/zinc/16/40/55/1121164055.db2.gz VYDZPNWQHOMAJL-UHFFFAOYSA-N -1 3 351.432 4.220 20 0 FIADHM O=C(NCc1cccc(OCC(F)F)c1)c1cc([O-])c2ccccc2c1 ZINC000472024253 1121180503 /nfs/dbraw/zinc/18/05/03/1121180503.db2.gz DLCDOUVCPAFFSB-UHFFFAOYSA-N -1 3 357.356 4.119 20 0 FIADHM CC(C)(CO)[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000472401487 1121233893 /nfs/dbraw/zinc/23/38/93/1121233893.db2.gz GUPVWYPCIKQYBU-HXUWFJFHSA-N -1 3 363.457 4.078 20 0 FIADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1C ZINC000055615380 1121261846 /nfs/dbraw/zinc/26/18/46/1121261846.db2.gz YGFXVHNKJANUFP-UHFFFAOYSA-N -1 3 374.506 4.296 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000056276621 1121324852 /nfs/dbraw/zinc/32/48/52/1121324852.db2.gz HVTKYIYPAPXMRI-HNNXBMFYSA-N -1 3 366.848 4.029 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)c([O-])c1 ZINC000057090443 1121353619 /nfs/dbraw/zinc/35/36/19/1121353619.db2.gz WEPMZNHFXKIWKL-UHFFFAOYSA-N -1 3 352.478 4.257 20 0 FIADHM Cc1cc(C)cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000057476227 1121371579 /nfs/dbraw/zinc/37/15/79/1121371579.db2.gz DDKYDQKZEXIAII-UHFFFAOYSA-N -1 3 362.458 4.430 20 0 FIADHM Cc1cccc(Oc2ccc(Cl)cc2[N-]C(=O)c2cccc[n+]2[O-])c1 ZINC000916134015 1121421899 /nfs/dbraw/zinc/42/18/99/1121421899.db2.gz YMXANQDVFIDQFN-UHFFFAOYSA-N -1 3 354.793 4.326 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCCC2(C)C)sc1Br ZINC000094541874 1121426432 /nfs/dbraw/zinc/42/64/32/1121426432.db2.gz DDHNIOJMTQFXAE-JTQLQIEISA-N -1 3 366.346 4.066 20 0 FIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(COC)c2)cc1 ZINC000063173062 1121553620 /nfs/dbraw/zinc/55/36/20/1121553620.db2.gz KSJPVZSVDFEXAD-UHFFFAOYSA-N -1 3 363.479 4.203 20 0 FIADHM O=C([N-][C@H](c1ccccc1)c1ccncc1)C(F)(F)c1ccccc1F ZINC000765768573 1121567709 /nfs/dbraw/zinc/56/77/09/1121567709.db2.gz APBQDJGSSIMXJZ-GOSISDBHSA-N -1 3 356.347 4.218 20 0 FIADHM O=c1nc(COc2ccc(Cl)cc2)[n-]c2sc3c(c21)CCCCC3 ZINC000063579693 1121570224 /nfs/dbraw/zinc/57/02/24/1121570224.db2.gz BYQYLYDVEHGMPB-UHFFFAOYSA-N -1 3 360.866 4.486 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000064374663 1121609028 /nfs/dbraw/zinc/60/90/28/1121609028.db2.gz QDTBOZBLGBLHFY-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000065084057 1121653909 /nfs/dbraw/zinc/65/39/09/1121653909.db2.gz UDLOSWDPMSIIAX-UHFFFAOYSA-N -1 3 356.451 4.494 20 0 FIADHM Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000473206301 1121727742 /nfs/dbraw/zinc/72/77/42/1121727742.db2.gz DUYKJPOSJCONFW-UHFFFAOYSA-N -1 3 374.440 4.246 20 0 FIADHM CC[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000125412627 1121777573 /nfs/dbraw/zinc/77/75/73/1121777573.db2.gz CVKQKHOMXYVGRA-LBPRGKRZSA-N -1 3 357.454 4.023 20 0 FIADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000125446558 1121780739 /nfs/dbraw/zinc/78/07/39/1121780739.db2.gz XRSNCOPPKSZULP-UHFFFAOYSA-N -1 3 373.187 4.153 20 0 FIADHM O=C(CCCc1cc(Cl)sc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC000125446558 1121780746 /nfs/dbraw/zinc/78/07/46/1121780746.db2.gz XRSNCOPPKSZULP-UHFFFAOYSA-N -1 3 373.187 4.153 20 0 FIADHM C[C@@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccc(F)cc1[O-] ZINC000186268144 1121993358 /nfs/dbraw/zinc/99/33/58/1121993358.db2.gz JVJGXRUIHWWNDB-KGLIPLIRSA-N -1 3 368.412 4.101 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000616072662 1122057361 /nfs/dbraw/zinc/05/73/61/1122057361.db2.gz GJPLVSRRDSMPAF-UHFFFAOYSA-N -1 3 367.392 4.373 20 0 FIADHM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)cc(Br)cc1F ZINC000127583943 1122122155 /nfs/dbraw/zinc/12/21/55/1122122155.db2.gz FVVUWAKCKLENQR-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM CC1(C)c2ccccc2CCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299781611 1122124603 /nfs/dbraw/zinc/12/46/03/1122124603.db2.gz UJGAOABCDZKLQQ-UHFFFAOYSA-N -1 3 366.848 4.115 20 0 FIADHM CC(C)C(C)(C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001212410859 1122157348 /nfs/dbraw/zinc/15/73/48/1122157348.db2.gz LZMNWZQOEFPVKP-UHFFFAOYSA-N -1 3 358.916 4.176 20 0 FIADHM CCc1cc2c(CN(Cc3ccc(C)o3)C3CC3)cc(=O)oc2cc1[O-] ZINC000917134785 1122191584 /nfs/dbraw/zinc/19/15/84/1122191584.db2.gz VWRRZMIWOWBAFK-UHFFFAOYSA-N -1 3 353.418 4.127 20 0 FIADHM O=C(COc1ccccc1Cc1ccccc1)Nc1cccc([O-])c1F ZINC000128279121 1122222655 /nfs/dbraw/zinc/22/26/55/1122222655.db2.gz RIHVUVIFJAHBKZ-UHFFFAOYSA-N -1 3 351.377 4.140 20 0 FIADHM O=C(CCCc1ccccc1)[N-]OCc1coc(-c2c(F)cccc2F)n1 ZINC000154311710 1122226578 /nfs/dbraw/zinc/22/65/78/1122226578.db2.gz PXDJIAHSXZNDHV-UHFFFAOYSA-N -1 3 372.371 4.191 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)c(C)c1 ZINC000055592216 1122255772 /nfs/dbraw/zinc/25/57/72/1122255772.db2.gz JSUCMCSVMXHECY-UHFFFAOYSA-N -1 3 360.479 4.007 20 0 FIADHM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128368624 1122262062 /nfs/dbraw/zinc/26/20/62/1122262062.db2.gz YACJLTFENSRUFE-UHFFFAOYSA-N -1 3 364.804 4.422 20 0 FIADHM Cc1ccc(-c2nc(CC(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cs2)cc1 ZINC000497568591 1122291203 /nfs/dbraw/zinc/29/12/03/1122291203.db2.gz WEEMSVBMEKHVCV-UHFFFAOYSA-N -1 3 374.469 4.112 20 0 FIADHM CCOc1ccc(-c2nc(CC(=O)Nc3cccc([O-])c3F)cs2)cc1 ZINC000128548678 1122339162 /nfs/dbraw/zinc/33/91/62/1122339162.db2.gz BLXYONUSDNOORI-UHFFFAOYSA-N -1 3 372.421 4.235 20 0 FIADHM C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128577353 1122349479 /nfs/dbraw/zinc/34/94/79/1122349479.db2.gz YLOOUMIPQUGNMK-VIFPVBQESA-N -1 3 370.243 4.413 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3cc(Cl)ccc3OC(C)C)n[n-]2)o1 ZINC000497739160 1122382817 /nfs/dbraw/zinc/38/28/17/1122382817.db2.gz KSLCJCSMMRYKLB-UHFFFAOYSA-N -1 3 360.801 4.066 20 0 FIADHM O=C(Nc1ccc(C(=O)Nc2cccc([O-])c2F)cc1)c1ccccc1 ZINC000128767496 1122402932 /nfs/dbraw/zinc/40/29/32/1122402932.db2.gz FTGFNOYOUOMKRA-UHFFFAOYSA-N -1 3 350.349 4.036 20 0 FIADHM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000497786493 1122411507 /nfs/dbraw/zinc/41/15/07/1122411507.db2.gz YKCSOOUZRZDMIW-KDOFPFPSSA-N -1 3 372.440 4.223 20 0 FIADHM COc1cc(OC)c([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)cc1Cl ZINC000917721876 1122417510 /nfs/dbraw/zinc/41/75/10/1122417510.db2.gz KUQKDRGIMAJAIR-HJWRWDBZSA-N -1 3 367.854 4.078 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000497960712 1122492074 /nfs/dbraw/zinc/49/20/74/1122492074.db2.gz REWVVCSPTAQSOS-UHFFFAOYSA-N -1 3 361.463 4.065 20 0 FIADHM CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cccc([O-])c2F)n1 ZINC000129334816 1122570941 /nfs/dbraw/zinc/57/09/41/1122570941.db2.gz IFKQYUBHGCPBSJ-UHFFFAOYSA-N -1 3 355.369 4.131 20 0 FIADHM O=C([O-])[C@]1(NCc2cc(Cl)cc3cccnc32)CCc2c1cccc2F ZINC000556320795 1122801918 /nfs/dbraw/zinc/80/19/18/1122801918.db2.gz DLWOYJYCOXJXAO-FQEVSTJZSA-N -1 3 370.811 4.043 20 0 FIADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000919776577 1123132567 /nfs/dbraw/zinc/13/25/67/1123132567.db2.gz XEULXXJCKCWBAH-LBPRGKRZSA-N -1 3 368.462 4.410 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)c1[O-] ZINC000556892070 1123179378 /nfs/dbraw/zinc/17/93/78/1123179378.db2.gz HTSYWXUUYSKXEG-UHFFFAOYSA-N -1 3 364.376 4.412 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccccc2NCc2ccco2)c1[O-] ZINC000556893644 1123180199 /nfs/dbraw/zinc/18/01/99/1123180199.db2.gz XLTBCMQVCUCUFT-UHFFFAOYSA-N -1 3 350.374 4.052 20 0 FIADHM COCc1ccsc1C(=O)[N-]c1nc(-c2sccc2C)ns1 ZINC000131784485 1123185905 /nfs/dbraw/zinc/18/59/05/1123185905.db2.gz DDTHZPRYEFETJM-UHFFFAOYSA-N -1 3 351.478 4.035 20 0 FIADHM CCOC[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000073128642 1123199090 /nfs/dbraw/zinc/19/90/90/1123199090.db2.gz RJSVZVYCXYPDTK-HXUWFJFHSA-N -1 3 367.489 4.066 20 0 FIADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1scnc1Cl ZINC000920080354 1123335954 /nfs/dbraw/zinc/33/59/54/1123335954.db2.gz OAEVQPJNHWXRDE-UHFFFAOYSA-N -1 3 356.856 4.164 20 0 FIADHM Cc1cnc(-c2nc3ccc(Oc4ccc(Cl)cc4)cc3c(=O)[n-]2)nc1 ZINC000133685047 1123510873 /nfs/dbraw/zinc/51/08/73/1123510873.db2.gz GUHUVCICNWHREZ-UHFFFAOYSA-N -1 3 364.792 4.134 20 0 FIADHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000920757010 1123515327 /nfs/dbraw/zinc/51/53/27/1123515327.db2.gz MJISPPJDPYMHAO-UHFFFAOYSA-N -1 3 352.459 4.023 20 0 FIADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1OC(F)F ZINC000920845030 1123528687 /nfs/dbraw/zinc/52/86/87/1123528687.db2.gz JVGSYDQJTYUSFU-SNVBAGLBSA-N -1 3 359.294 4.396 20 0 FIADHM O=C([N-][C@H]1CCOc2c(Cl)cccc21)C(F)(F)c1ccc(F)cc1 ZINC000920845111 1123528732 /nfs/dbraw/zinc/52/87/32/1123528732.db2.gz NETQTNXPGUVRIG-AWEZNQCLSA-N -1 3 355.743 4.211 20 0 FIADHM O=C([N-][C@H]1CCCOc2ccc(F)cc21)C(F)(F)c1ccc(F)cc1 ZINC000920844784 1123528764 /nfs/dbraw/zinc/52/87/64/1123528764.db2.gz KGWVNUDKEJFTFB-HNNXBMFYSA-N -1 3 353.315 4.087 20 0 FIADHM O=C([N-][C@@H]1CCOc2c(F)cccc21)C(F)(F)c1cccc(Cl)c1 ZINC000921007734 1123554349 /nfs/dbraw/zinc/55/43/49/1123554349.db2.gz XDMMPMDKRVMNSV-CQSZACIVSA-N -1 3 355.743 4.211 20 0 FIADHM CCc1nnsc1C(=O)[N-]c1cc(C)ccc1SCC(F)(F)F ZINC000076448240 1123595830 /nfs/dbraw/zinc/59/58/30/1123595830.db2.gz APPSJGDLSSWEAE-UHFFFAOYSA-N -1 3 361.414 4.316 20 0 FIADHM O=S(=O)([N-]CCc1csc2ccccc12)c1ccc(Cl)s1 ZINC000195537480 1123665019 /nfs/dbraw/zinc/66/50/19/1123665019.db2.gz ANRQOAWGXUPASN-UHFFFAOYSA-N -1 3 357.909 4.137 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c(C)c1 ZINC000135355411 1123742737 /nfs/dbraw/zinc/74/27/37/1123742737.db2.gz FITAPLUQCRCVCJ-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135506215 1123768432 /nfs/dbraw/zinc/76/84/32/1123768432.db2.gz WHMJBUBCYZWFJW-UHFFFAOYSA-N -1 3 371.796 4.263 20 0 FIADHM CC[C@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1cc(F)ccc1F ZINC000179787707 1124076341 /nfs/dbraw/zinc/07/63/41/1124076341.db2.gz IJJIBGHXEFLNSI-KRWDZBQOSA-N -1 3 359.372 4.326 20 0 FIADHM CC(C)(C)OCc1cc(C(=O)[N-]c2cscc2Br)no1 ZINC000615734683 1124116499 /nfs/dbraw/zinc/11/64/99/1124116499.db2.gz NIFMNSBJLJNLOW-UHFFFAOYSA-N -1 3 359.245 4.066 20 0 FIADHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccs1 ZINC000616021510 1124202174 /nfs/dbraw/zinc/20/21/74/1124202174.db2.gz JHJBECADPAECSP-LLVKDONJSA-N -1 3 363.426 4.231 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCCC2)c(F)cc1F ZINC001212286766 1124386263 /nfs/dbraw/zinc/38/62/63/1124386263.db2.gz XDVAHHCUZOQHCD-SFHVURJKSA-N -1 3 357.466 4.301 20 0 FIADHM COC([O-])=NC(=S)N(c1ccc(OCC(C)C)cc1)c1ccccc1N ZINC001212290187 1124445375 /nfs/dbraw/zinc/44/53/75/1124445375.db2.gz NWVWYPKNKUKZKF-UHFFFAOYSA-N -1 3 373.478 4.083 20 0 FIADHM CCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2C1 ZINC000542865152 1124524978 /nfs/dbraw/zinc/52/49/78/1124524978.db2.gz UMNRXDYANGQDKW-UHFFFAOYSA-N -1 3 358.507 4.138 20 0 FIADHM O=C([O-])[C@H]1CC12CCN(CCSc1cc(Cl)ccc1Cl)CC2 ZINC000405317694 1124537944 /nfs/dbraw/zinc/53/79/44/1124537944.db2.gz BKKOLNKLQIMLGA-GFCCVEGCSA-N -1 3 360.306 4.272 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(Br)cc1Cl ZINC000248768767 1124811118 /nfs/dbraw/zinc/81/11/18/1124811118.db2.gz XNIHDNROTAYWDB-VQISRLSMSA-N -1 3 372.690 4.320 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)[C@H]4CCCC[C@@H]43)cc2)cc(=O)[n-]1 ZINC000542932815 1124900491 /nfs/dbraw/zinc/90/04/91/1124900491.db2.gz XCAGRJSZRFXIAS-IRWQIABSSA-N -1 3 366.465 4.200 20 0 FIADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2csnc2-c2ccccc2)C[C@@H](C)C1 ZINC001212450054 1125062772 /nfs/dbraw/zinc/06/27/72/1125062772.db2.gz HWZOXNGVHYKMHD-FICVDOATSA-N -1 3 364.536 4.161 20 0 FIADHM COc1cccc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)c1F ZINC001128259165 1125155942 /nfs/dbraw/zinc/15/59/42/1125155942.db2.gz ZKXAVATUDSCFCO-UHFFFAOYSA-N -1 3 354.712 4.215 20 0 FIADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000465985670 1125189468 /nfs/dbraw/zinc/18/94/68/1125189468.db2.gz VFYVKYYABDJLGS-SUMWQHHRSA-N -1 3 360.429 4.370 20 0 FIADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000465985668 1125189717 /nfs/dbraw/zinc/18/97/17/1125189717.db2.gz VFYVKYYABDJLGS-DYVFJYSZSA-N -1 3 360.429 4.370 20 0 FIADHM O=C([O-])C[C@@H](NCc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000499599881 1125265760 /nfs/dbraw/zinc/26/57/60/1125265760.db2.gz UECWNLBFZHACOI-OAHLLOKOSA-N -1 3 368.658 4.408 20 0 FIADHM O=C(Nc1ncccc1[O-])c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 ZINC000618769554 1125267622 /nfs/dbraw/zinc/26/76/22/1125267622.db2.gz GTSDKHUUMAWYGP-UHFFFAOYSA-N -1 3 374.375 4.031 20 0 FIADHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(F)cc1Br ZINC000037408636 205026287 /nfs/dbraw/zinc/02/62/87/205026287.db2.gz YSUHVLJHGLFIHM-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c([O-])c1C ZINC000052637042 205187343 /nfs/dbraw/zinc/18/73/43/205187343.db2.gz VWFCLHFXKXZBHW-HNNXBMFYSA-N -1 3 350.418 4.170 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c([O-])c1 ZINC000051283230 205181575 /nfs/dbraw/zinc/18/15/75/205181575.db2.gz SXRYCVLHEGFKLE-UHFFFAOYSA-N -1 3 361.445 4.321 20 0 FIADHM Cc1sc2[nH]c(-c3ccc([O-])cc3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000055501877 205218936 /nfs/dbraw/zinc/21/89/36/205218936.db2.gz PSUOZZPYLVESEA-UHFFFAOYSA-N -1 3 352.390 4.472 20 0 FIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000006328469 206241697 /nfs/dbraw/zinc/24/16/97/206241697.db2.gz XCNOHZGWEDDPRJ-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCc1nc(C(=O)[N-]c2ccc(F)c(C(=O)OC(C)(C)C)c2Cl)co1 ZINC000602399519 567975656 /nfs/dbraw/zinc/97/56/56/567975656.db2.gz CJYYULRCINLTPW-UHFFFAOYSA-N -1 3 368.792 4.237 20 0 FIADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000603587721 568123203 /nfs/dbraw/zinc/12/32/03/568123203.db2.gz JMXCRENXGGVGHO-CQSZACIVSA-N -1 3 374.400 4.138 20 0 FIADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000603587721 568123204 /nfs/dbraw/zinc/12/32/04/568123204.db2.gz JMXCRENXGGVGHO-CQSZACIVSA-N -1 3 374.400 4.138 20 0 FIADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000603587721 568123205 /nfs/dbraw/zinc/12/32/05/568123205.db2.gz JMXCRENXGGVGHO-CQSZACIVSA-N -1 3 374.400 4.138 20 0 FIADHM Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000603736817 568152862 /nfs/dbraw/zinc/15/28/62/568152862.db2.gz LVNKNNMKYQPSQM-CYBMUJFWSA-N -1 3 350.418 4.079 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)CCSc2ccccc2F)[nH][n-]1 ZINC000604789393 568367289 /nfs/dbraw/zinc/36/72/89/568367289.db2.gz YZOBPGBVRIZATJ-UHFFFAOYSA-N -1 3 355.438 4.067 20 0 FIADHM CC(=O)c1ccc(OCCCC(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000604902161 568385051 /nfs/dbraw/zinc/38/50/51/568385051.db2.gz PKZSVWWKWJNSHH-UHFFFAOYSA-N -1 3 361.825 4.354 20 0 FIADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000604933217 568395420 /nfs/dbraw/zinc/39/54/20/568395420.db2.gz MVPNLZZGSXXQLN-JSFDKUKPSA-N -1 3 368.506 4.133 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c(C)c1C ZINC000604971015 568462401 /nfs/dbraw/zinc/46/24/01/568462401.db2.gz HWOCPGRWQAJQLX-UHFFFAOYSA-N -1 3 374.506 4.103 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)c(C)c1C ZINC000604971379 568462688 /nfs/dbraw/zinc/46/26/88/568462688.db2.gz DVQRVEQRBJRUCS-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc2cc(F)ccc2o1 ZINC000605091545 568561867 /nfs/dbraw/zinc/56/18/67/568561867.db2.gz IONZGEJQPOMYSB-UHFFFAOYSA-N -1 3 371.368 4.406 20 0 FIADHM CCc1nc(C(=O)[N-]c2cc(Cl)ccc2SC)nn1-c1ccccc1 ZINC000605088110 568567231 /nfs/dbraw/zinc/56/72/31/568567231.db2.gz SAZUDNYFNIWPRH-UHFFFAOYSA-N -1 3 372.881 4.457 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c(C)c1 ZINC000619533487 1125609202 /nfs/dbraw/zinc/60/92/02/1125609202.db2.gz FNMHTWLOQIHWAQ-UHFFFAOYSA-N -1 3 363.479 4.038 20 0 FIADHM COc1ccc(N[C@H]2C[C@H](C)c3c2cccc3C)cc1[N-]S(C)(=O)=O ZINC000182733908 1125615262 /nfs/dbraw/zinc/61/52/62/1125615262.db2.gz BEDDVKWUTNFFOT-BBRMVZONSA-N -1 3 360.479 4.036 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)cc3C)c2)n1 ZINC000153260435 1125765551 /nfs/dbraw/zinc/76/55/51/1125765551.db2.gz HKJRMZZVKGICEN-UHFFFAOYSA-N -1 3 367.836 4.213 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)s1 ZINC000579790442 1079712006 /nfs/dbraw/zinc/71/20/06/1079712006.db2.gz SHBIITYCVVERMM-CYBMUJFWSA-N -1 3 370.503 4.278 20 0 FIADHM COc1ccccc1SCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153354582 1125778917 /nfs/dbraw/zinc/77/89/17/1125778917.db2.gz KHFOHAQTCXVDRX-UHFFFAOYSA-N -1 3 357.353 4.150 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2C)cc1 ZINC000683171638 1079803387 /nfs/dbraw/zinc/80/33/87/1079803387.db2.gz NWJFUSSTXZZUNI-KRWDZBQOSA-N -1 3 367.367 4.328 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000683172206 1079806934 /nfs/dbraw/zinc/80/69/34/1079806934.db2.gz VYZMLJRRRSKPJD-MRXNPFEDSA-N -1 3 353.340 4.020 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1cccc(Br)c1 ZINC000683174794 1079810388 /nfs/dbraw/zinc/81/03/88/1079810388.db2.gz QRHMLZOXWXHLCP-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM COc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1OCCC(C)C ZINC000683176400 1079818526 /nfs/dbraw/zinc/81/85/26/1079818526.db2.gz JBAAUJIRQUORKV-UHFFFAOYSA-N -1 3 357.450 4.108 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)cc1C ZINC000108985454 1079886032 /nfs/dbraw/zinc/88/60/32/1079886032.db2.gz ZGSFOAPVFJNVFS-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM CCc1nnc([N-]C(=O)c2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000014673147 1079923477 /nfs/dbraw/zinc/92/34/77/1079923477.db2.gz DBOBRUDFUIPALX-UHFFFAOYSA-N -1 3 350.856 4.130 20 0 FIADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000157538994 1079998233 /nfs/dbraw/zinc/99/82/33/1079998233.db2.gz MGLUMPYYHASLJQ-UHFFFAOYSA-N -1 3 354.884 4.253 20 0 FIADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2Br)C1 ZINC000232750899 1080357368 /nfs/dbraw/zinc/35/73/68/1080357368.db2.gz NFBJVLUGKBMJKM-HNNXBMFYSA-N -1 3 360.679 4.035 20 0 FIADHM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3ncccc3[O-])c2)C1 ZINC000471240640 1080517223 /nfs/dbraw/zinc/51/72/23/1080517223.db2.gz AFPSSYRIVAAQAI-QAPCUYQASA-N -1 3 369.465 4.204 20 0 FIADHM COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c([O-])c1 ZINC000443570446 1080565225 /nfs/dbraw/zinc/56/52/25/1080565225.db2.gz CYMTZAKJXUDYRI-UHFFFAOYSA-N -1 3 365.360 4.023 20 0 FIADHM CC[C@@H](c1nnc([N-]C(=O)c2nc(C)c(C)s2)s1)c1ccccc1 ZINC000683546877 1081067871 /nfs/dbraw/zinc/06/78/71/1081067871.db2.gz AHQONITVHOXOQE-CYBMUJFWSA-N -1 3 358.492 4.406 20 0 FIADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1Cl ZINC000063444040 1081071341 /nfs/dbraw/zinc/07/13/41/1081071341.db2.gz ZWROXMXGSNVPTB-UHFFFAOYSA-N -1 3 366.870 4.024 20 0 FIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1sc2cc(F)ccc2c1Cl ZINC000036714206 1081321279 /nfs/dbraw/zinc/32/12/79/1081321279.db2.gz CISQWQAQGYFROE-UHFFFAOYSA-N -1 3 364.711 4.083 20 0 FIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1sc2cc(F)ccc2c1Cl ZINC000036714206 1081321285 /nfs/dbraw/zinc/32/12/85/1081321285.db2.gz CISQWQAQGYFROE-UHFFFAOYSA-N -1 3 364.711 4.083 20 0 FIADHM CCn1nc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c2ccccc21 ZINC000471461163 1081366074 /nfs/dbraw/zinc/36/60/74/1081366074.db2.gz ZNJIVGZZTHGPPW-UHFFFAOYSA-N -1 3 350.447 4.312 20 0 FIADHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccccc1[O-] ZINC000047277625 1081414082 /nfs/dbraw/zinc/41/40/82/1081414082.db2.gz RLALSICUXIOCFN-UHFFFAOYSA-N -1 3 363.461 4.267 20 0 FIADHM CC(C)C([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC001210829111 1081764577 /nfs/dbraw/zinc/76/45/77/1081764577.db2.gz LROVXUXJYBVPIS-UHFFFAOYSA-N -1 3 372.943 4.422 20 0 FIADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])o1 ZINC000122703331 1081913412 /nfs/dbraw/zinc/91/34/12/1081913412.db2.gz YOJRGRQOMKDMKQ-SFHVURJKSA-N -1 3 370.449 4.264 20 0 FIADHM Clc1cc2nc([N-]c3cnn(C[C@H]4CCCO4)c3)oc2c(Cl)c1 ZINC000683933593 1081939430 /nfs/dbraw/zinc/93/94/30/1081939430.db2.gz VTIMWMCGLIBDPC-LLVKDONJSA-N -1 3 353.209 4.254 20 0 FIADHM Clc1cc2nc([N-]c3cnn(C[C@@H]4CCCO4)c3)oc2c(Cl)c1 ZINC000683933595 1081939628 /nfs/dbraw/zinc/93/96/28/1081939628.db2.gz VTIMWMCGLIBDPC-NSHDSACASA-N -1 3 353.209 4.254 20 0 FIADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000683936285 1081946517 /nfs/dbraw/zinc/94/65/17/1081946517.db2.gz QXBDCIHCASXVKZ-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000891290587 1081983580 /nfs/dbraw/zinc/98/35/80/1081983580.db2.gz SBGYLUXMFPGONZ-UHFFFAOYSA-N -1 3 368.340 4.136 20 0 FIADHM CCOc1cc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc(Cl)c1[O-] ZINC000656278387 1082098414 /nfs/dbraw/zinc/09/84/14/1082098414.db2.gz QXMLDNZDEXLYNX-RISCZKNCSA-N -1 3 367.795 4.034 20 0 FIADHM Cc1ccc2c(c1)nc(CNCc1cc(Cl)cc(Cl)c1[O-])n2C ZINC000187576642 1082145085 /nfs/dbraw/zinc/14/50/85/1082145085.db2.gz YBRCMKREJNYKRL-UHFFFAOYSA-N -1 3 350.249 4.184 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COC[C@H]4CCCO4)nc(=O)c23)cc1C ZINC000656492144 1082480180 /nfs/dbraw/zinc/48/01/80/1082480180.db2.gz XIPXSSZZOBJAMM-OAHLLOKOSA-N -1 3 370.474 4.376 20 0 FIADHM Cc1sc2[n-]c(COC[C@@H]3CCCO3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000656491780 1082482749 /nfs/dbraw/zinc/48/27/49/1082482749.db2.gz XEJXNXCPMARQCO-AWEZNQCLSA-N -1 3 374.437 4.207 20 0 FIADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000581374983 1082502452 /nfs/dbraw/zinc/50/24/52/1082502452.db2.gz KKIAWHVGWCGLQR-KXBFYZLASA-N -1 3 357.450 4.392 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000129114058 1082584123 /nfs/dbraw/zinc/58/41/23/1082584123.db2.gz JJBDKYRNLLCLFB-NWDGAFQWSA-N -1 3 355.287 4.172 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=CSc3ccccc3)cc2)n1 ZINC000255311120 1082611787 /nfs/dbraw/zinc/61/17/87/1082611787.db2.gz WEKTZFXDMNOIKT-QXMHVHEDSA-N -1 3 363.442 4.402 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2OCC(F)(F)F)[C@@H]2CCCC[C@@H]12 ZINC000656763958 1082755943 /nfs/dbraw/zinc/75/59/43/1082755943.db2.gz DHZOSNMGEICTJT-ARFHVFGLSA-N -1 3 371.399 4.093 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc(Br)c2)[C@@H]2CCCC[C@H]12 ZINC000656763717 1082756872 /nfs/dbraw/zinc/75/68/72/1082756872.db2.gz COHYFSSYCXSVKO-BZUAXINKSA-N -1 3 370.262 4.054 20 0 FIADHM CSc1cc2c(cc1[N-]C(=O)c1cc(C)oc1C(F)(F)F)OCCO2 ZINC000471769982 1082964541 /nfs/dbraw/zinc/96/45/41/1082964541.db2.gz NWOFJTGKSFBJCW-UHFFFAOYSA-N -1 3 373.352 4.352 20 0 FIADHM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H]1C[C@H](OCC)C1(C)C ZINC000581889582 1082977186 /nfs/dbraw/zinc/97/71/86/1082977186.db2.gz CBLAKIGIYNFCCT-IRXDYDNUSA-N -1 3 353.890 4.454 20 0 FIADHM COc1cc(C(=O)N(Cc2cccc(Cl)c2)C(C)C)cc(OC)c1[O-] ZINC000163318085 1083256191 /nfs/dbraw/zinc/25/61/91/1083256191.db2.gz PVSRBNIIIWWUHC-UHFFFAOYSA-N -1 3 363.841 4.114 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c2ccccc12 ZINC000431171381 1083375912 /nfs/dbraw/zinc/37/59/12/1083375912.db2.gz RZUNPKSMMJFWAC-UHFFFAOYSA-N -1 3 367.348 4.067 20 0 FIADHM CSc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000548868948 1083439101 /nfs/dbraw/zinc/43/91/01/1083439101.db2.gz XWOAWXCLFJXVID-UHFFFAOYSA-N -1 3 351.493 4.305 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1cc2ccccc2o1 ZINC001211531172 1083761806 /nfs/dbraw/zinc/76/18/06/1083761806.db2.gz QFHHSAYDEJDYLK-JTQLQIEISA-N -1 3 353.802 4.265 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(F)c2)C2CCCC2)c1 ZINC000535857486 1083815513 /nfs/dbraw/zinc/81/55/13/1083815513.db2.gz YQSIBFAEUGDDEI-UHFFFAOYSA-N -1 3 370.424 4.075 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CCCC(C)(C)C3)cc2)n1 ZINC000535879788 1083914509 /nfs/dbraw/zinc/91/45/09/1083914509.db2.gz ICXXPBUKHSRBGT-OAHLLOKOSA-N -1 3 353.466 4.290 20 0 FIADHM CC[C@@H](OC1CCCC1)C(=O)Nc1c([O-])ccc(Br)c1C ZINC000413830334 1083927732 /nfs/dbraw/zinc/92/77/32/1083927732.db2.gz GCBZKCYIJHBFEE-CQSZACIVSA-N -1 3 356.260 4.139 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000178475885 1083992309 /nfs/dbraw/zinc/99/23/09/1083992309.db2.gz ITEKXHDOLXUDNJ-UHFFFAOYSA-N -1 3 351.111 4.365 20 0 FIADHM CCC[C@H](C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000636111352 1084029763 /nfs/dbraw/zinc/02/97/63/1084029763.db2.gz JDKCKRFEWUMYOC-HNNXBMFYSA-N -1 3 361.873 4.079 20 0 FIADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000177528704 1084037520 /nfs/dbraw/zinc/03/75/20/1084037520.db2.gz HBYYAEWSYDIDRK-JJJPLKNQSA-N -1 3 373.456 4.021 20 0 FIADHM CO[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000612755109 1084046443 /nfs/dbraw/zinc/04/64/43/1084046443.db2.gz AFVPLCBTSZVXHK-GXTWGEPZSA-N -1 3 368.458 4.423 20 0 FIADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cncc2ccccc21 ZINC000548586693 1084230126 /nfs/dbraw/zinc/23/01/26/1084230126.db2.gz DBXATPKKYMHFDX-UHFFFAOYSA-N -1 3 366.364 4.196 20 0 FIADHM O=C([O-])[C@H]1CCCCCC[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000277387637 1084369631 /nfs/dbraw/zinc/36/96/31/1084369631.db2.gz RFGXWCYWWWZTFB-ZWKOTPCHSA-N -1 3 374.506 4.235 20 0 FIADHM COc1ccccc1-c1nc(C(=O)[N-]c2c(C)noc2C2CC2)cs1 ZINC000154055585 1084382821 /nfs/dbraw/zinc/38/28/21/1084382821.db2.gz MGCYGJCJQXFZMR-UHFFFAOYSA-N -1 3 355.419 4.245 20 0 FIADHM Cc1ccccc1C[C@H](CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000277416902 1084459893 /nfs/dbraw/zinc/45/98/93/1084459893.db2.gz STSSYWWZBHHSDX-OAHLLOKOSA-N -1 3 372.515 4.213 20 0 FIADHM CCOc1cc(CNc2cccc(Cn3cccn3)c2)cc(Cl)c1[O-] ZINC000613286901 1084551586 /nfs/dbraw/zinc/55/15/86/1084551586.db2.gz YQRPQSZUYLVYQX-UHFFFAOYSA-N -1 3 357.841 4.301 20 0 FIADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1OC(C)C ZINC000582079472 1084572650 /nfs/dbraw/zinc/57/26/50/1084572650.db2.gz IUPJPWNYNDEDGH-UHFFFAOYSA-N -1 3 368.408 4.324 20 0 FIADHM Cc1cc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)sc1C ZINC000051418119 1084581719 /nfs/dbraw/zinc/58/17/19/1084581719.db2.gz DHNUZZBWQLPSMN-SECBINFHSA-N -1 3 362.476 4.198 20 0 FIADHM CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000017322627 1084608920 /nfs/dbraw/zinc/60/89/20/1084608920.db2.gz AYLGOAXUKQUPLD-UHFFFAOYSA-N -1 3 374.506 4.024 20 0 FIADHM COCc1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000511125115 1085001755 /nfs/dbraw/zinc/00/17/55/1085001755.db2.gz XWKADHKPRUXEDF-UHFFFAOYSA-N -1 3 363.479 4.059 20 0 FIADHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000563373491 1085065761 /nfs/dbraw/zinc/06/57/61/1085065761.db2.gz HNKYZKYOEAKLFO-LBPRGKRZSA-N -1 3 351.406 4.029 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000582490865 1085066958 /nfs/dbraw/zinc/06/69/58/1085066958.db2.gz QEDPWVBTSHBWTB-MRXNPFEDSA-N -1 3 357.498 4.403 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000511159488 1085126789 /nfs/dbraw/zinc/12/67/89/1085126789.db2.gz ZZKNZVITWMGCHM-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM O=C(CCc1cccc(Cl)c1)Nc1ccc(Br)cc1[O-] ZINC000642323723 1085202881 /nfs/dbraw/zinc/20/28/81/1085202881.db2.gz MRTVCZQDTFCAPN-UHFFFAOYSA-N -1 3 354.631 4.379 20 0 FIADHM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C(C[C@@H]1CCCO1)C(F)(F)F ZINC000651629111 1085259762 /nfs/dbraw/zinc/25/97/62/1085259762.db2.gz JMAUASMJEWTZHO-IUCAKERBSA-N -1 3 372.170 4.385 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)c1Cl ZINC000511879005 1085288926 /nfs/dbraw/zinc/28/89/26/1085288926.db2.gz MAJSONWZBCIWPW-AWEZNQCLSA-N -1 3 374.264 4.407 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1=COCCC1 ZINC000093095066 1085314666 /nfs/dbraw/zinc/31/46/66/1085314666.db2.gz ZLMLBEJCXMZIBY-UHFFFAOYSA-N -1 3 352.415 4.302 20 0 FIADHM CCCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(Br)c1 ZINC000024099279 1085405523 /nfs/dbraw/zinc/40/55/23/1085405523.db2.gz VDFHJQAGWBATHR-MRXNPFEDSA-N -1 3 361.239 4.131 20 0 FIADHM CCOC(=O)c1c(Nc2cc(F)c([O-])c(F)c2)sc2c1CCCC2=O ZINC001213370384 1085416065 /nfs/dbraw/zinc/41/60/65/1085416065.db2.gz FWKDVHBKLHHTLH-UHFFFAOYSA-N -1 3 367.373 4.171 20 0 FIADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(Cl)c(F)cc1Cl ZINC000549535387 1085437573 /nfs/dbraw/zinc/43/75/73/1085437573.db2.gz ALPQTDBQDLMCFF-UHFFFAOYSA-N -1 3 360.119 4.255 20 0 FIADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)Cc2ccccc2O1 ZINC000582708251 1085438730 /nfs/dbraw/zinc/43/87/30/1085438730.db2.gz BTFQBOATPHRUMX-UHFFFAOYSA-N -1 3 357.425 4.054 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)CCCC4)c2)n1 ZINC000049301723 1085442685 /nfs/dbraw/zinc/44/26/85/1085442685.db2.gz KCPNJKNVAJUGEM-UHFFFAOYSA-N -1 3 373.456 4.130 20 0 FIADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 ZINC000473124378 1085694484 /nfs/dbraw/zinc/69/44/84/1085694484.db2.gz CHAUQQRMKJEHOH-KRWDZBQOSA-N -1 3 355.331 4.124 20 0 FIADHM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc([O-])ccc1Cl ZINC000582801110 1085733066 /nfs/dbraw/zinc/73/30/66/1085733066.db2.gz QFEMAQQCEKTMLF-UHFFFAOYSA-N -1 3 363.694 4.378 20 0 FIADHM C[C@H](Sc1cccnn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000511895372 1085759073 /nfs/dbraw/zinc/75/90/73/1085759073.db2.gz HVGWCTBVGVCBBC-VIFPVBQESA-N -1 3 356.432 4.300 20 0 FIADHM Cc1ccc(CC2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1C ZINC000582862222 1085846307 /nfs/dbraw/zinc/84/63/07/1085846307.db2.gz ORZKIAYXBKIXAP-UHFFFAOYSA-N -1 3 374.484 4.240 20 0 FIADHM CC1(C)CN([C@H](C(=O)[O-])c2cccc(Cl)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000652446896 1086066232 /nfs/dbraw/zinc/06/62/32/1086066232.db2.gz DZFWEMIBKQULDH-JJUQKUTHSA-N -1 3 363.885 4.135 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000652450671 1086072469 /nfs/dbraw/zinc/07/24/69/1086072469.db2.gz AJCZTJRYDQJNFQ-IRXDYDNUSA-N -1 3 369.509 4.403 20 0 FIADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470656 1086084120 /nfs/dbraw/zinc/08/41/20/1086084120.db2.gz DSAKOMYBCBTMRO-PXAZEXFGSA-N -1 3 365.351 4.330 20 0 FIADHM Cc1nc([C@H](C)N2CC[C@H](C(=O)[O-])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000652497360 1086132477 /nfs/dbraw/zinc/13/24/77/1086132477.db2.gz SXQLLQBIMVZNPW-FFSVYQOJSA-N -1 3 362.857 4.407 20 0 FIADHM CCOc1c(Cl)cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1OC ZINC000023165270 1086146685 /nfs/dbraw/zinc/14/66/85/1086146685.db2.gz QNICGMLCNIRTEH-FNORWQNLSA-N -1 3 362.809 4.358 20 0 FIADHM COc1ccc([C@H](NCc2cccc(-c3ccccc3)c2)C(=O)[O-])cc1F ZINC000426777792 1086283530 /nfs/dbraw/zinc/28/35/30/1086283530.db2.gz QQXUZYCKEXGXNO-NRFANRHFSA-N -1 3 365.404 4.417 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CC(C)(c2ccccc2)C1 ZINC001211691670 1086387364 /nfs/dbraw/zinc/38/73/64/1086387364.db2.gz OTYGJHUWQAZGSB-UHFFFAOYSA-N -1 3 373.449 4.279 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000432309374 1086459395 /nfs/dbraw/zinc/45/93/95/1086459395.db2.gz ZKPRRZNKUZUHIY-CYBMUJFWSA-N -1 3 363.426 4.071 20 0 FIADHM CC(C)[C@H](O)[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000657748952 1086539130 /nfs/dbraw/zinc/53/91/30/1086539130.db2.gz XNLCUFONVIZFDV-MSOLQXFVSA-N -1 3 364.283 4.003 20 0 FIADHM CC(C)Cc1csc2nc(-c3ccc(OCC(F)F)nc3)[n-]c(=O)c12 ZINC000544047423 1086612372 /nfs/dbraw/zinc/61/23/72/1086612372.db2.gz XWCYOPHUEJVRLO-UHFFFAOYSA-N -1 3 365.405 4.301 20 0 FIADHM COc1ccc(F)cc1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000187586342 1086651276 /nfs/dbraw/zinc/65/12/76/1086651276.db2.gz IKCYULMKGKBDIR-VIFPVBQESA-N -1 3 372.209 4.292 20 0 FIADHM CC(C)CNC(=O)c1ccc(Cl)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213386644 1086717128 /nfs/dbraw/zinc/71/71/28/1086717128.db2.gz NDHYOLVOVPWFQB-UHFFFAOYSA-N -1 3 354.784 4.453 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC[C@]12CCCOC2 ZINC001648940851 1086718653 /nfs/dbraw/zinc/71/86/53/1086718653.db2.gz FUXDIZSTUUEWJI-HSZRJFAPSA-N -1 3 365.473 4.158 20 0 FIADHM Cc1cnc(C2CCN(C(=O)CCCc3ccc([O-])c(F)c3)CC2)s1 ZINC000432458393 1086791613 /nfs/dbraw/zinc/79/16/13/1086791613.db2.gz UVGKDAJABQJKDM-UHFFFAOYSA-N -1 3 362.470 4.025 20 0 FIADHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCc1cc(Cl)cc(Cl)c1 ZINC000583570392 1086808133 /nfs/dbraw/zinc/80/81/33/1086808133.db2.gz PEVBGZQMCWVLIF-KRWDZBQOSA-N -1 3 350.245 4.047 20 0 FIADHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)cc1C ZINC000512136942 1086813848 /nfs/dbraw/zinc/81/38/48/1086813848.db2.gz GHZIQBMFKXLRKN-UHFFFAOYSA-N -1 3 370.430 4.449 20 0 FIADHM CCCN(C(=O)c1cccc(CC)c1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000548807538 1086937428 /nfs/dbraw/zinc/93/74/28/1086937428.db2.gz UDSZTHRUMLAZTC-MRXNPFEDSA-N -1 3 368.477 4.224 20 0 FIADHM C[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1F ZINC000151541472 1087137524 /nfs/dbraw/zinc/13/75/24/1087137524.db2.gz UPUHGGZMPUDCIZ-LLVKDONJSA-N -1 3 366.230 4.104 20 0 FIADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000536212075 1087160313 /nfs/dbraw/zinc/16/03/13/1087160313.db2.gz TUYHFLOIVGIAHK-WDEREUQCSA-N -1 3 352.253 4.267 20 0 FIADHM O=C([O-])c1cc(F)ccc1CN1CCC(Cc2cccc(F)c2F)CC1 ZINC000584125321 1087181107 /nfs/dbraw/zinc/18/11/07/1087181107.db2.gz ZELIFEHONLWVKN-UHFFFAOYSA-N -1 3 363.379 4.257 20 0 FIADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1 ZINC000080953872 1087287979 /nfs/dbraw/zinc/28/79/79/1087287979.db2.gz JWPFALVKUMVGTI-UHFFFAOYSA-N -1 3 368.458 4.024 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)sc1C ZINC000091051986 1087419505 /nfs/dbraw/zinc/41/95/05/1087419505.db2.gz RTPUOEHHSKVJEZ-UHFFFAOYSA-N -1 3 364.536 4.070 20 0 FIADHM C[C@@H](c1ccncc1)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094067906 1087462983 /nfs/dbraw/zinc/46/29/83/1087462983.db2.gz NOHJCNIJULOJSF-KRWDZBQOSA-N -1 3 360.457 4.406 20 0 FIADHM CCc1cccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1[O-] ZINC000094129233 1087464747 /nfs/dbraw/zinc/46/47/47/1087464747.db2.gz ILTLTURONICFQF-UHFFFAOYSA-N -1 3 353.462 4.024 20 0 FIADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000301726807 1087467650 /nfs/dbraw/zinc/46/76/50/1087467650.db2.gz CEOCIXNUUCCVRG-UHFFFAOYSA-N -1 3 364.261 4.067 20 0 FIADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)c1nc(C)cs1 ZINC001125740777 1087575886 /nfs/dbraw/zinc/57/58/86/1087575886.db2.gz QPAUHPZJXYXVKL-SECBINFHSA-N -1 3 360.813 4.083 20 0 FIADHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1ccc(F)cn1 ZINC000181515683 1087654558 /nfs/dbraw/zinc/65/45/58/1087654558.db2.gz SIJRRIYGPKNKGN-UHFFFAOYSA-N -1 3 350.305 4.043 20 0 FIADHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000685677162 1087679529 /nfs/dbraw/zinc/67/95/29/1087679529.db2.gz YOHBIZWEAXYRKI-KXBFYZLASA-N -1 3 359.853 4.286 20 0 FIADHM CO[C@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CC1 ZINC000424124531 1087778904 /nfs/dbraw/zinc/77/89/04/1087778904.db2.gz MCJRKYVXGLMTMH-CYBMUJFWSA-N -1 3 362.476 4.315 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000505157497 1088199105 /nfs/dbraw/zinc/19/91/05/1088199105.db2.gz WSBKWFNVKWOMQF-CQSZACIVSA-N -1 3 368.408 4.255 20 0 FIADHM O=C(Nc1ccc(O)cc1F)c1cc(OCc2ccccc2)ccc1[O-] ZINC000782855238 1088304762 /nfs/dbraw/zinc/30/47/62/1088304762.db2.gz OJFKAKMKBIRMJY-UHFFFAOYSA-N -1 3 353.349 4.068 20 0 FIADHM COc1cc(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc(OC)c1[O-] ZINC000513965579 1088584794 /nfs/dbraw/zinc/58/47/94/1088584794.db2.gz BCLLQZWAUNNILA-INIZCTEOSA-N -1 3 357.450 4.317 20 0 FIADHM CCc1ccc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)c([O-])c1 ZINC000647653397 1088668064 /nfs/dbraw/zinc/66/80/64/1088668064.db2.gz FAQPCERWGPKXJC-UHFFFAOYSA-N -1 3 361.445 4.407 20 0 FIADHM Cc1cc(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)no1 ZINC000179011724 1088731321 /nfs/dbraw/zinc/73/13/21/1088731321.db2.gz DJRLKJLKRZZVDG-UHFFFAOYSA-N -1 3 365.414 4.147 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(Cc1ccccn1)C1CC1 ZINC000180335636 1088772215 /nfs/dbraw/zinc/77/22/15/1088772215.db2.gz AZBXKVYKUXQIRC-UHFFFAOYSA-N -1 3 358.441 4.183 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000659796976 1088875233 /nfs/dbraw/zinc/87/52/33/1088875233.db2.gz FWMHBLBUDRSPDZ-JKSUJKDBSA-N -1 3 368.235 4.433 20 0 FIADHM O=C([O-])[C@]12CN(Cc3cc(Br)ccc3Cl)C[C@H]1CCCC2 ZINC000659799416 1088884942 /nfs/dbraw/zinc/88/49/42/1088884942.db2.gz GIXIWGPTEKTCGT-MLGOLLRUSA-N -1 3 372.690 4.179 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCCC[C@H]1CC1CCC1 ZINC000659804361 1088892954 /nfs/dbraw/zinc/89/29/54/1088892954.db2.gz XMVXBHWJWUKZAC-KRWDZBQOSA-N -1 3 355.482 4.299 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659805090 1088895021 /nfs/dbraw/zinc/89/50/21/1088895021.db2.gz LESFLKKMRHEBCK-RYQLBKOJSA-N -1 3 370.276 4.012 20 0 FIADHM O=c1nc(CN2CCc3cc(F)ccc32)[n-]c2scc(-c3ccco3)c21 ZINC000549172721 1089118224 /nfs/dbraw/zinc/11/82/24/1089118224.db2.gz NVAJNAUMQXPNIT-UHFFFAOYSA-N -1 3 367.405 4.359 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1cccc2ccccc21 ZINC000328332243 1089419196 /nfs/dbraw/zinc/41/91/96/1089419196.db2.gz OXFRTBYKSUGZDD-UHFFFAOYSA-N -1 3 352.459 4.241 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Oc3cnccn3)cc2)CC)n1 ZINC000435336796 1089539757 /nfs/dbraw/zinc/53/97/57/1089539757.db2.gz QZMRNHAKSRSWFE-FOWTUZBSSA-N -1 3 362.433 4.255 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(COCC)c2)CC)n1 ZINC000435340098 1089547754 /nfs/dbraw/zinc/54/77/54/1089547754.db2.gz BZKDDPNRDGHIOT-WJDWOHSUSA-N -1 3 356.466 4.218 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC)c(OCC)c2)CC)n1 ZINC000435339965 1089548542 /nfs/dbraw/zinc/54/85/42/1089548542.db2.gz ZQXBQRTXTVJIPG-FOWTUZBSSA-N -1 3 356.466 4.470 20 0 FIADHM O=C(NCCc1nc2ccccc2o1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000515363413 1089988997 /nfs/dbraw/zinc/98/89/97/1089988997.db2.gz FTYDXFJZQYFASX-UHFFFAOYSA-N -1 3 372.424 4.097 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000378005386 1089996690 /nfs/dbraw/zinc/99/66/90/1089996690.db2.gz OCNKJWVEYLHNMW-IBGZPJMESA-N -1 3 350.393 4.035 20 0 FIADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435891376 1090002630 /nfs/dbraw/zinc/00/26/30/1090002630.db2.gz DNJZGNVHEMPBSJ-UHFFFAOYSA-N -1 3 374.224 4.118 20 0 FIADHM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000613705809 1090364629 /nfs/dbraw/zinc/36/46/29/1090364629.db2.gz PXCIRZNUBZOMBS-UHFFFAOYSA-N -1 3 372.222 4.106 20 0 FIADHM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000613705809 1090364635 /nfs/dbraw/zinc/36/46/35/1090364635.db2.gz PXCIRZNUBZOMBS-UHFFFAOYSA-N -1 3 372.222 4.106 20 0 FIADHM O=C([O-])c1ccccc1C1CCN(CCOc2ccccc2Cl)CC1 ZINC000363883027 1090441113 /nfs/dbraw/zinc/44/11/13/1090441113.db2.gz GHZMZWQZDFCHTF-UHFFFAOYSA-N -1 3 359.853 4.297 20 0 FIADHM COCc1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000417562071 1090927800 /nfs/dbraw/zinc/92/78/00/1090927800.db2.gz LZKMUKUIJPYUMD-QGZVFWFLSA-N -1 3 368.260 4.445 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccccc2OCC(F)(F)F)c2ccccc21 ZINC000417621263 1090941970 /nfs/dbraw/zinc/94/19/70/1090941970.db2.gz HDESWMIKKOBURY-HZPDHXFCSA-N -1 3 365.351 4.031 20 0 FIADHM Cc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)sc1Br ZINC000417622349 1090942208 /nfs/dbraw/zinc/94/22/08/1090942208.db2.gz IIIIBRRHOKVQSL-UONOGXRCSA-N -1 3 366.280 4.222 20 0 FIADHM C[C@@H](CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)CC(=O)[O-] ZINC000417626875 1090948287 /nfs/dbraw/zinc/94/82/87/1090948287.db2.gz UCCNPEJKKVJRAE-SNVBAGLBSA-N -1 3 358.385 4.029 20 0 FIADHM COc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1OCC(C)C ZINC000417668909 1090958296 /nfs/dbraw/zinc/95/82/96/1090958296.db2.gz LFVQYYDFOWAALC-UHFFFAOYSA-N -1 3 357.450 4.026 20 0 FIADHM CCCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000651498190 1091174718 /nfs/dbraw/zinc/17/47/18/1091174718.db2.gz QGUAJLCTZVEXFH-UHFFFAOYSA-N -1 3 366.889 4.049 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2(C)C)cc1[O-] ZINC001648945578 1091900968 /nfs/dbraw/zinc/90/09/68/1091900968.db2.gz ARIPKEUULBVAQQ-KRWDZBQOSA-N -1 3 355.409 4.142 20 0 FIADHM [O-]c1cccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1Cl ZINC000512241064 1091946203 /nfs/dbraw/zinc/94/62/03/1091946203.db2.gz GFUKVNMOMGGZEY-UHFFFAOYSA-N -1 3 359.779 4.098 20 0 FIADHM O=C(Cc1ccco1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436611035 1091983594 /nfs/dbraw/zinc/98/35/94/1091983594.db2.gz UNBJPNSIIXHZQQ-UHFFFAOYSA-N -1 3 350.399 4.443 20 0 FIADHM COC(=O)c1cnc(S[C@@H]2CCCc3ccc(Br)cc32)[n-]1 ZINC000432673034 1092052944 /nfs/dbraw/zinc/05/29/44/1092052944.db2.gz UGOUUZXIDKNSNY-CYBMUJFWSA-N -1 3 367.268 4.129 20 0 FIADHM O=c1ccnc(C(=Cc2cccc(OC(F)F)c2)Cc2ccccc2)[n-]1 ZINC000432703578 1092156646 /nfs/dbraw/zinc/15/66/46/1092156646.db2.gz CRSKWHZEQIAQKU-VBKFSLOCSA-N -1 3 354.356 4.155 20 0 FIADHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1Cl ZINC000432707955 1092163754 /nfs/dbraw/zinc/16/37/54/1092163754.db2.gz FDOXFTHSSVJOGC-VBKFSLOCSA-N -1 3 352.821 4.215 20 0 FIADHM CSc1nc(NC(=O)c2cccc(OCc3ccc(Cl)cc3)c2)n[n-]1 ZINC000508328421 1092234666 /nfs/dbraw/zinc/23/46/66/1092234666.db2.gz NGAZZOAPPLVMNU-UHFFFAOYSA-N -1 3 374.853 4.011 20 0 FIADHM C[C@@H](c1ccc(CSc2nc3nncc-3c(O)[n-]2)cc1)C(F)(F)F ZINC000418813754 1092244011 /nfs/dbraw/zinc/24/40/11/1092244011.db2.gz DMDZHVSSJMIEKL-QMMMGPOBSA-N -1 3 354.357 4.017 20 0 FIADHM Cc1nc(C)c(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)s1 ZINC000508355146 1092266236 /nfs/dbraw/zinc/26/62/36/1092266236.db2.gz RBFBXCWPEVXPML-UHFFFAOYSA-N -1 3 367.261 4.131 20 0 FIADHM CCN(CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000093094532 1092299813 /nfs/dbraw/zinc/29/98/13/1092299813.db2.gz FASNAZLKJNBVTB-UHFFFAOYSA-N -1 3 367.474 4.092 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc(F)c2ncccc12 ZINC000442244745 1092521815 /nfs/dbraw/zinc/52/18/15/1092521815.db2.gz VJGSEWCWMUSKMG-UHFFFAOYSA-N -1 3 372.755 4.106 20 0 FIADHM Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000467934841 1092624286 /nfs/dbraw/zinc/62/42/86/1092624286.db2.gz FKZCDLZHHJZIPY-UHFFFAOYSA-N -1 3 373.865 4.491 20 0 FIADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000521528643 1092739020 /nfs/dbraw/zinc/73/90/20/1092739020.db2.gz BGJQDSMGJVAAHR-UHFFFAOYSA-N -1 3 364.829 4.445 20 0 FIADHM CC[C@H](c1ccccc1OC)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000521600938 1092777839 /nfs/dbraw/zinc/77/78/39/1092777839.db2.gz QUFZQLCBGIZSND-GOSISDBHSA-N -1 3 359.441 4.472 20 0 FIADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000614160279 1093019903 /nfs/dbraw/zinc/01/99/03/1093019903.db2.gz ZYKYNNHVKVTXNK-ZETCQYMHSA-N -1 3 362.398 4.080 20 0 FIADHM O=C(c1cc(Nc2ccc([O-])c(F)c2F)ccc1F)N1CCCCC1 ZINC001211876997 1093025252 /nfs/dbraw/zinc/02/52/52/1093025252.db2.gz UGHHUMVJVOGNTG-UHFFFAOYSA-N -1 3 350.340 4.179 20 0 FIADHM O=S(=O)([N-]c1ccccc1Cl)c1cc(F)ccc1Br ZINC000152132513 1093043367 /nfs/dbraw/zinc/04/33/67/1093043367.db2.gz MMHAVXQWDMQBGC-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000443424636 1093121378 /nfs/dbraw/zinc/12/13/78/1093121378.db2.gz HDGURTZFFVGOOJ-UHFFFAOYSA-N -1 3 373.305 4.477 20 0 FIADHM CSc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000152200150 1093165151 /nfs/dbraw/zinc/16/51/51/1093165151.db2.gz PMHLNPIEBGBAPG-UHFFFAOYSA-N -1 3 367.268 4.198 20 0 FIADHM CCOc1ccc(F)c([N-]c2noc3cccnc32)c1Br ZINC001211754294 1093176084 /nfs/dbraw/zinc/17/60/84/1093176084.db2.gz JQAPPGAOUWIZMK-UHFFFAOYSA-N -1 3 352.163 4.267 20 0 FIADHM C[C@]1(C(=O)Nc2ccc(Br)cc2[O-])CCCc2ccccc21 ZINC000522273771 1093262093 /nfs/dbraw/zinc/26/20/93/1093262093.db2.gz GSADKWULELMFTD-SFHVURJKSA-N -1 3 360.251 4.387 20 0 FIADHM O=S(=O)([N-]CC(F)(F)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC001211780986 1093300188 /nfs/dbraw/zinc/30/01/88/1093300188.db2.gz CFCMMJVAMQXCLX-UHFFFAOYSA-N -1 3 366.216 4.064 20 0 FIADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000512813911 1093386191 /nfs/dbraw/zinc/38/61/91/1093386191.db2.gz JZFVYIKXMONTHW-NSHDSACASA-N -1 3 361.360 4.192 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](Cc4ccccc4)[C@@H]3C)nc2)n1 ZINC000474179565 1093553032 /nfs/dbraw/zinc/55/30/32/1093553032.db2.gz BDRCTTKNOSGAJC-FUHWJXTLSA-N -1 3 374.488 4.264 20 0 FIADHM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(F)cc2n[n-]nc21 ZINC000433342336 1093596902 /nfs/dbraw/zinc/59/69/02/1093596902.db2.gz KRMFNKDZNRHLPK-UHFFFAOYSA-N -1 3 373.800 4.126 20 0 FIADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCCCN1C1CCCC1 ZINC000433361694 1093623009 /nfs/dbraw/zinc/62/30/09/1093623009.db2.gz DBCDSZSECFXTAD-OAHLLOKOSA-N -1 3 357.281 4.435 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000509887965 1093681642 /nfs/dbraw/zinc/68/16/42/1093681642.db2.gz SODOWUKUNATSIG-CQSZACIVSA-N -1 3 362.433 4.083 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H]3CCCC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000509898719 1093694333 /nfs/dbraw/zinc/69/43/33/1093694333.db2.gz MKCPXBPSKKLDAV-UGSOOPFHSA-N -1 3 354.454 4.200 20 0 FIADHM Cc1cccc(C)c1NC(=O)CCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419344460 1093703480 /nfs/dbraw/zinc/70/34/80/1093703480.db2.gz IAUOFHKAXIVFGL-UHFFFAOYSA-N -1 3 371.506 4.329 20 0 FIADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000034367890 1093738497 /nfs/dbraw/zinc/73/84/97/1093738497.db2.gz SFWGPGHCKDETQE-VIFPVBQESA-N -1 3 350.292 4.403 20 0 FIADHM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1 ZINC000047376598 1093739508 /nfs/dbraw/zinc/73/95/08/1093739508.db2.gz GXDNCDGLOQRZBF-KRWDZBQOSA-N -1 3 359.385 4.293 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1OCCc2sccc21 ZINC000582138339 1093790996 /nfs/dbraw/zinc/79/09/96/1093790996.db2.gz JAOAPUHBURGYEB-BLVKFPJESA-N -1 3 353.443 4.039 20 0 FIADHM Cn1c(SCc2ncccc2[O-])nnc1-c1ccc(C(C)(C)C)cc1 ZINC000576421403 1093820701 /nfs/dbraw/zinc/82/07/01/1093820701.db2.gz DXTMDJYHUALRJO-UHFFFAOYSA-N -1 3 354.479 4.173 20 0 FIADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000433523207 1093878070 /nfs/dbraw/zinc/87/80/70/1093878070.db2.gz AKGLIVNWCVQCMB-UHFFFAOYSA-N -1 3 354.431 4.237 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(F)c(C)c3)nc(=O)c2c1C ZINC000728996018 1093915933 /nfs/dbraw/zinc/91/59/33/1093915933.db2.gz KYAPYVLMQPIBDI-SNVBAGLBSA-N -1 3 360.410 4.379 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000433814922 1094117038 /nfs/dbraw/zinc/11/70/38/1094117038.db2.gz YGAWVJDNUMGQNE-UHFFFAOYSA-N -1 3 359.426 4.079 20 0 FIADHM CCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1Br ZINC000501575551 1094790297 /nfs/dbraw/zinc/79/02/97/1094790297.db2.gz ARKRPCHYLIAZFS-UHFFFAOYSA-N -1 3 370.630 4.459 20 0 FIADHM CC[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@@H](CC)O1 ZINC000420963087 1095202381 /nfs/dbraw/zinc/20/23/81/1095202381.db2.gz VBJNFUSIYXHKNM-CHWSQXEVSA-N -1 3 373.478 4.046 20 0 FIADHM CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000028752380 1095308710 /nfs/dbraw/zinc/30/87/10/1095308710.db2.gz CXMCQZSLLMTNPW-QMMMGPOBSA-N -1 3 373.261 4.227 20 0 FIADHM CCCCc1nc(NC(=O)c2ccc(C(C)C)cc2)c(C(=O)OCC)[n-]1 ZINC001269123775 1095570924 /nfs/dbraw/zinc/57/09/24/1095570924.db2.gz LCRAYINDGOBUCZ-UHFFFAOYSA-N -1 3 357.454 4.305 20 0 FIADHM CCc1cc(C(=O)[N-]c2ncccc2SC)c2c(n1)onc2C(C)C ZINC000652878202 1095675364 /nfs/dbraw/zinc/67/53/64/1095675364.db2.gz WDFJAMHOIAWNRZ-UHFFFAOYSA-N -1 3 356.451 4.278 20 0 FIADHM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(Br)cc1[O-] ZINC000522877948 1095830972 /nfs/dbraw/zinc/83/09/72/1095830972.db2.gz HADCDHQMDYXTDD-UHFFFAOYSA-N -1 3 370.630 4.134 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)c1Cl ZINC000522969412 1095927959 /nfs/dbraw/zinc/92/79/59/1095927959.db2.gz MLWRXVURGOPBKZ-UHFFFAOYSA-N -1 3 374.264 4.409 20 0 FIADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000502909543 1095937620 /nfs/dbraw/zinc/93/76/20/1095937620.db2.gz GYVIGHZDGAZCGS-HZPDHXFCSA-N -1 3 374.506 4.417 20 0 FIADHM Cc1cnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(Br)c1 ZINC000513788328 1096393763 /nfs/dbraw/zinc/39/37/63/1096393763.db2.gz PBCNSZZTXSBNDP-UHFFFAOYSA-N -1 3 369.284 4.077 20 0 FIADHM COc1cc(/C=C/C(=O)c2cccc(F)c2)cc(Br)c1[O-] ZINC000028495485 1096499642 /nfs/dbraw/zinc/49/96/42/1096499642.db2.gz WCAVJUXTQSPSCC-AATRIKPKSA-N -1 3 351.171 4.199 20 0 FIADHM O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cc(F)cc2n[n-]nc21 ZINC000503679295 1096521508 /nfs/dbraw/zinc/52/15/08/1096521508.db2.gz CYUYHRZDKIPPKE-UHFFFAOYSA-N -1 3 373.800 4.126 20 0 FIADHM CCCOc1ccc(-c2nc(C(=O)[N-]c3nnc(CC)s3)cs2)cc1 ZINC000504049690 1096643075 /nfs/dbraw/zinc/64/30/75/1096643075.db2.gz HDOGDGZJRIQMJP-UHFFFAOYSA-N -1 3 374.491 4.265 20 0 FIADHM Cc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)ccc1F ZINC000504467081 1096781393 /nfs/dbraw/zinc/78/13/93/1096781393.db2.gz ISUAFVHACMCGAK-UHFFFAOYSA-N -1 3 351.150 4.352 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1[O-] ZINC000532871310 1098560193 /nfs/dbraw/zinc/56/01/93/1098560193.db2.gz FOQMPAPXVXFNML-OAHLLOKOSA-N -1 3 370.518 4.310 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCc2sccc21 ZINC000532916590 1098606577 /nfs/dbraw/zinc/60/65/77/1098606577.db2.gz MJCPPMWVBSXNIE-LLVKDONJSA-N -1 3 352.253 4.275 20 0 FIADHM Cc1[nH]nc(NC(=O)Cc2ccc([O-])c(F)c2)c1-c1ccc(Cl)cc1 ZINC001648988663 1098833263 /nfs/dbraw/zinc/83/32/63/1098833263.db2.gz ZUHWBYCEDPYHNB-UHFFFAOYSA-N -1 3 359.788 4.064 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000515699557 1098861938 /nfs/dbraw/zinc/86/19/38/1098861938.db2.gz QCVKXZSHOZZZIN-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436493718 1099055320 /nfs/dbraw/zinc/05/53/20/1099055320.db2.gz MKMORTSVBXTXFJ-ZDUSSCGKSA-N -1 3 366.417 4.323 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000436495741 1099057337 /nfs/dbraw/zinc/05/73/37/1099057337.db2.gz OOAVVHFZAUKFLC-UHFFFAOYSA-N -1 3 355.300 4.259 20 0 FIADHM Cc1nc(C)c(CCC(=O)N([C@@H](C)c2ccccc2)C2CCCC2)c(=O)[n-]1 ZINC000425578079 1099070663 /nfs/dbraw/zinc/07/06/63/1099070663.db2.gz GHTGGXSKNWYYNL-INIZCTEOSA-N -1 3 367.493 4.264 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[O-] ZINC000436525515 1099081828 /nfs/dbraw/zinc/08/18/28/1099081828.db2.gz OFWPRVXHFVGKBD-UHFFFAOYSA-N -1 3 361.397 4.426 20 0 FIADHM COCCN(C(=O)c1ccccc1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000436540798 1099105869 /nfs/dbraw/zinc/10/58/69/1099105869.db2.gz UFIQDRCHJDOTFN-ZDUSSCGKSA-N -1 3 367.367 4.261 20 0 FIADHM CCc1cnc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000436577807 1099113670 /nfs/dbraw/zinc/11/36/70/1099113670.db2.gz VJJLKRXBKSXEIY-UHFFFAOYSA-N -1 3 366.486 4.274 20 0 FIADHM Cc1ccc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000436594111 1099126601 /nfs/dbraw/zinc/12/66/01/1099126601.db2.gz HSWCLZMUBDOLMZ-UHFFFAOYSA-N -1 3 368.260 4.032 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCc2ccc(O)cc2C1 ZINC000436598344 1099128834 /nfs/dbraw/zinc/12/88/34/1099128834.db2.gz YPGRUPGAJZYEDA-UHFFFAOYSA-N -1 3 361.397 4.089 20 0 FIADHM CC(C)CO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436584962 1099133824 /nfs/dbraw/zinc/13/38/24/1099133824.db2.gz KQVLSDHICQULAX-GOSISDBHSA-N -1 3 355.434 4.072 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCSC1 ZINC000436602566 1099138324 /nfs/dbraw/zinc/13/83/24/1099138324.db2.gz KMZKPOIVXVTROO-NSHDSACASA-N -1 3 356.472 4.361 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000436610238 1099144336 /nfs/dbraw/zinc/14/43/36/1099144336.db2.gz SVRLUEXQYGEJGT-HKBOAZHASA-N -1 3 365.473 4.160 20 0 FIADHM COc1cccc(C(=O)Nc2cccc(CSc3ccccn3)c2)c1[O-] ZINC000436627372 1099155421 /nfs/dbraw/zinc/15/54/21/1099155421.db2.gz VTQNSDSQGIJWGI-UHFFFAOYSA-N -1 3 366.442 4.340 20 0 FIADHM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436627756 1099155608 /nfs/dbraw/zinc/15/56/08/1099155608.db2.gz VDKWEVURBLPFCE-VIFPVBQESA-N -1 3 352.217 4.164 20 0 FIADHM Cc1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2[O-])N2CCCC2)o1 ZINC000436630032 1099157875 /nfs/dbraw/zinc/15/78/75/1099157875.db2.gz YSNQTJMOOGQIHZ-LJQANCHMSA-N -1 3 364.445 4.014 20 0 FIADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436632414 1099162185 /nfs/dbraw/zinc/16/21/85/1099162185.db2.gz ZCOKVDRJEOLVEJ-DIFFPNOSSA-N -1 3 365.351 4.340 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1[O-] ZINC000436622519 1099169684 /nfs/dbraw/zinc/16/96/84/1099169684.db2.gz GVTOHHDCMXHLGD-UHFFFAOYSA-N -1 3 352.415 4.334 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000436652019 1099172969 /nfs/dbraw/zinc/17/29/69/1099172969.db2.gz ZDEZPZIIACVOKC-UHFFFAOYSA-N -1 3 370.468 4.003 20 0 FIADHM O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1c([O-])cccc1O ZINC000436648038 1099188981 /nfs/dbraw/zinc/18/89/81/1099188981.db2.gz OZNGQFICLRTQGT-UHFFFAOYSA-N -1 3 360.369 4.082 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)c([O-])c1 ZINC000436662585 1099193557 /nfs/dbraw/zinc/19/35/57/1099193557.db2.gz JFWUAJPDAPATQA-OAHLLOKOSA-N -1 3 358.507 4.096 20 0 FIADHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1[O-] ZINC000436668081 1099196770 /nfs/dbraw/zinc/19/67/70/1099196770.db2.gz WRBXHRWATKZLPP-LBPRGKRZSA-N -1 3 360.479 4.316 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC=C(C(F)(F)F)CC1 ZINC000436721276 1099253557 /nfs/dbraw/zinc/25/35/57/1099253557.db2.gz IKXOHLISXPWJIA-UHFFFAOYSA-N -1 3 361.363 4.318 20 0 FIADHM COc1ccc(C(=O)N(C)[C@H](C)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436760554 1099276918 /nfs/dbraw/zinc/27/69/18/1099276918.db2.gz QKPZWLVENSDZCS-LLVKDONJSA-N -1 3 353.340 4.253 20 0 FIADHM COc1ccc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c([O-])c1 ZINC000436747438 1099281179 /nfs/dbraw/zinc/28/11/79/1099281179.db2.gz APUGKEBUXHOKMZ-UHFFFAOYSA-N -1 3 363.816 4.155 20 0 FIADHM COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c([O-])c1 ZINC000436752119 1099286453 /nfs/dbraw/zinc/28/64/53/1099286453.db2.gz PUDHGKCDITXCFI-SFHVURJKSA-N -1 3 371.483 4.312 20 0 FIADHM [O-]c1ccccc1-c1nc(CSc2ccc(C(F)(F)F)cn2)no1 ZINC000436773989 1099293136 /nfs/dbraw/zinc/29/31/36/1099293136.db2.gz LWZIAPCTWUYGPL-UHFFFAOYSA-N -1 3 353.325 4.148 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000436782247 1099302871 /nfs/dbraw/zinc/30/28/71/1099302871.db2.gz MVXBAXVEUCUCDV-SECBINFHSA-N -1 3 367.232 4.148 20 0 FIADHM CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000436796634 1099326732 /nfs/dbraw/zinc/32/67/32/1099326732.db2.gz WWMNSKYTFKRLQT-IBGZPJMESA-N -1 3 367.489 4.403 20 0 FIADHM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(C)cc1[O-] ZINC000436795355 1099326803 /nfs/dbraw/zinc/32/68/03/1099326803.db2.gz FKFMEPDLMHCZGC-INIZCTEOSA-N -1 3 368.477 4.197 20 0 FIADHM CCc1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c([O-])c1 ZINC000436817439 1099330174 /nfs/dbraw/zinc/33/01/74/1099330174.db2.gz BGGUGXLUPWUDGY-UHFFFAOYSA-N -1 3 360.457 4.235 20 0 FIADHM COCC[C@@H]1CCCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436818743 1099330521 /nfs/dbraw/zinc/33/05/21/1099330521.db2.gz VVSFUHOOWFQBPF-IBGZPJMESA-N -1 3 367.489 4.262 20 0 FIADHM CC(C)[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCCO1 ZINC000436811382 1099337254 /nfs/dbraw/zinc/33/72/54/1099337254.db2.gz AEEBCBYKCSPGHG-HXUWFJFHSA-N -1 3 355.434 4.072 20 0 FIADHM CCN(Cc1ccccn1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436811504 1099337386 /nfs/dbraw/zinc/33/73/86/1099337386.db2.gz UZTDYWMNPWIBJR-UHFFFAOYSA-N -1 3 360.457 4.235 20 0 FIADHM CCc1ccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c([O-])c1 ZINC000436828707 1099340435 /nfs/dbraw/zinc/34/04/35/1099340435.db2.gz ZPXDOFBKJGZMLM-UHFFFAOYSA-N -1 3 374.868 4.341 20 0 FIADHM COc1cccc(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)c1[O-] ZINC000436826967 1099353952 /nfs/dbraw/zinc/35/39/52/1099353952.db2.gz CFXIMCNQTMUPNS-KHPPLWFESA-N -1 3 352.415 4.280 20 0 FIADHM CCc1ccc(-c2nc(-c3ccc4c(c3)[C@@H](SC)C(=O)N4)no2)c([O-])c1 ZINC000436859555 1099369799 /nfs/dbraw/zinc/36/97/99/1099369799.db2.gz YNDFSZMHSSRWNV-MRXNPFEDSA-N -1 3 367.430 4.028 20 0 FIADHM Cc1ccc(C(=O)NCc2cccnc2)cc1Nc1ccc([O-])c(F)c1F ZINC001212014016 1099378271 /nfs/dbraw/zinc/37/82/71/1099378271.db2.gz VMHUXNWYELGABK-UHFFFAOYSA-N -1 3 369.371 4.047 20 0 FIADHM Cc1ccc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)c([O-])c1 ZINC000436895983 1099421073 /nfs/dbraw/zinc/42/10/73/1099421073.db2.gz WURGABVLLZTKAM-UHFFFAOYSA-N -1 3 356.332 4.086 20 0 FIADHM Cn1cc(-c2cc(F)ccc2NC(=O)c2cc3c(cc2[O-])CCCC3)cn1 ZINC000436912460 1099421987 /nfs/dbraw/zinc/42/19/87/1099421987.db2.gz WOEKOWGAZQEQFO-UHFFFAOYSA-N -1 3 365.408 4.063 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000436938035 1099451701 /nfs/dbraw/zinc/45/17/01/1099451701.db2.gz SPRHMJOZQVQDPS-UHFFFAOYSA-N -1 3 351.377 4.080 20 0 FIADHM CC(C)c1ccc(-c2nc([C@@H](C)CNC(=O)c3ccccc3)no2)c([O-])c1 ZINC000436944341 1099456817 /nfs/dbraw/zinc/45/68/17/1099456817.db2.gz JPHCIUDSQUIQHF-AWEZNQCLSA-N -1 3 365.433 4.099 20 0 FIADHM COc1cc(-c2nc3c(cc(C)cc3F)[nH]2)cc(Br)c1[O-] ZINC000436951501 1099469341 /nfs/dbraw/zinc/46/93/41/1099469341.db2.gz SIINPFNWJTYBFO-UHFFFAOYSA-N -1 3 351.175 4.154 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCc2sccc2C1 ZINC000436953700 1099472266 /nfs/dbraw/zinc/47/22/66/1099472266.db2.gz RIHWMKRXBCQDOQ-UHFFFAOYSA-N -1 3 351.427 4.445 20 0 FIADHM CO[C@](C)(c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)C1CC1 ZINC000436954966 1099472704 /nfs/dbraw/zinc/47/27/04/1099472704.db2.gz JHHXGEXCCWHFPC-NRFANRHFSA-N -1 3 366.417 4.293 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(OCC(F)F)nc3)no2)c([O-])c1 ZINC000436958260 1099474556 /nfs/dbraw/zinc/47/45/56/1099474556.db2.gz FUHOUKJQTWQZLV-UHFFFAOYSA-N -1 3 361.348 4.272 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cccnc2OCC(F)F)no1 ZINC000436959661 1099476344 /nfs/dbraw/zinc/47/63/44/1099476344.db2.gz NKNOOWMOWDFNCP-UHFFFAOYSA-N -1 3 369.327 4.301 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)c([O-])c1 ZINC000436972921 1099479681 /nfs/dbraw/zinc/47/96/81/1099479681.db2.gz RBFBZMWRLWBIGI-CQSZACIVSA-N -1 3 370.449 4.021 20 0 FIADHM CCCCOc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c([O-])c1 ZINC000436982447 1099487920 /nfs/dbraw/zinc/48/79/20/1099487920.db2.gz XJGZXJQNJMRMNV-IERDGZPVSA-N -1 3 369.461 4.173 20 0 FIADHM CC(C)Cn1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)c(C(F)F)n1 ZINC000436970040 1099489493 /nfs/dbraw/zinc/48/94/93/1099489493.db2.gz BSTOKDDYKPYWAW-UHFFFAOYSA-N -1 3 363.408 4.313 20 0 FIADHM CCc1nnc(-c2cccc(NC(=O)c3ccc4c(c3[O-])CCCC4)c2)o1 ZINC000436968758 1099490066 /nfs/dbraw/zinc/49/00/66/1099490066.db2.gz WYWYIFSPEBMPCG-UHFFFAOYSA-N -1 3 363.417 4.136 20 0 FIADHM O=S(=O)([N-]CC1(C2CCC2)CCC1)c1c2ncsc2ccc1Cl ZINC001212080152 1099582936 /nfs/dbraw/zinc/58/29/36/1099582936.db2.gz OSYHMDWPMZQSEK-UHFFFAOYSA-N -1 3 370.927 4.198 20 0 FIADHM Cc1nc([C@H](C)N2C[C@H](C)C[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000263139358 1099766849 /nfs/dbraw/zinc/76/68/49/1099766849.db2.gz DLZNLOXNFKUJSK-ZLDLUXBVSA-N -1 3 362.857 4.407 20 0 FIADHM O=S(=O)([N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)ccc1Cl ZINC000437288989 1099771061 /nfs/dbraw/zinc/77/10/61/1099771061.db2.gz OAEMJZXJBUEXBI-ZJUUUORDSA-N -1 3 373.799 4.126 20 0 FIADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)ccc1Cl ZINC000437288986 1099771817 /nfs/dbraw/zinc/77/18/17/1099771817.db2.gz OAEMJZXJBUEXBI-NXEZZACHSA-N -1 3 373.799 4.126 20 0 FIADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000437297162 1099783583 /nfs/dbraw/zinc/78/35/83/1099783583.db2.gz XSPOPZPBNUPHLE-BLLLJJGKSA-N -1 3 373.239 4.121 20 0 FIADHM CCOc1cccc2cc([C@H](C)NCc3cc(=O)[n-]c(C4CC4)n3)oc21 ZINC000459396699 1100121924 /nfs/dbraw/zinc/12/19/24/1100121924.db2.gz CTEJBFKAVGXEDM-LBPRGKRZSA-N -1 3 353.422 4.055 20 0 FIADHM C[C@@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(C(C)(C)C)cs1 ZINC000459409645 1100130424 /nfs/dbraw/zinc/13/04/24/1100130424.db2.gz RJQYDSOOURTMKM-CYBMUJFWSA-N -1 3 368.506 4.454 20 0 FIADHM O=c1cc(CN2CCC(CC(F)(F)F)CC2)nc(-c2ccccc2)[n-]1 ZINC000459443825 1100177885 /nfs/dbraw/zinc/17/78/85/1100177885.db2.gz BOWWNFPGKIDDPK-UHFFFAOYSA-N -1 3 351.372 4.014 20 0 FIADHM CCc1cccc2c1OCC[C@H]2NCc1cccc([O-])c1Br ZINC000459438168 1100193281 /nfs/dbraw/zinc/19/32/81/1100193281.db2.gz ZVLJOMWDGLPSRO-OAHLLOKOSA-N -1 3 362.267 4.331 20 0 FIADHM [O-]c1cccc(CNCc2nc3ccccc3n2C2CC2)c1Br ZINC000459480457 1100216368 /nfs/dbraw/zinc/21/63/68/1100216368.db2.gz NXXQLEYSHNPXKV-UHFFFAOYSA-N -1 3 372.266 4.129 20 0 FIADHM Cc1nc([C@H]2CCCN2Cc2cccc([O-])c2Br)cs1 ZINC000459486648 1100219205 /nfs/dbraw/zinc/21/92/05/1100219205.db2.gz AOXGCOQAEMTTKP-CYBMUJFWSA-N -1 3 353.285 4.257 20 0 FIADHM Cc1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccc(F)cc2Cl)cc1 ZINC000517456349 1100379032 /nfs/dbraw/zinc/37/90/32/1100379032.db2.gz OJDLWXSLUDHGAC-QGZVFWFLSA-N -1 3 367.815 4.029 20 0 FIADHM COc1c(Cl)cc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC000506246866 1100685754 /nfs/dbraw/zinc/68/57/54/1100685754.db2.gz GAYOCQBLRKXGNC-UHFFFAOYSA-N -1 3 363.200 4.096 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1 ZINC000438774815 1100909148 /nfs/dbraw/zinc/90/91/48/1100909148.db2.gz VOEHHBHXZWULQS-UHFFFAOYSA-N -1 3 373.396 4.381 20 0 FIADHM CC(C)n1cc(Br)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439093755 1101148967 /nfs/dbraw/zinc/14/89/67/1101148967.db2.gz FKIWKFRCHJFGLR-UHFFFAOYSA-N -1 3 357.635 4.443 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)c2cccc(F)c2)[nH][n-]1 ZINC000439164181 1101209273 /nfs/dbraw/zinc/20/92/73/1101209273.db2.gz UATIRHKSMYJAOT-NSHDSACASA-N -1 3 373.815 4.042 20 0 FIADHM COCCCn1c(=O)[n-]nc1S[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000439284507 1101305892 /nfs/dbraw/zinc/30/58/92/1101305892.db2.gz ZFPIXPZYNLZJDQ-ZDUSSCGKSA-N -1 3 373.478 4.035 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2sccc2C)o1 ZINC000536895240 1101315932 /nfs/dbraw/zinc/31/59/32/1101315932.db2.gz YLZVTUUFMWAAFB-MRXNPFEDSA-N -1 3 361.488 4.220 20 0 FIADHM CCC(C)(C)c1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648431723 1101324064 /nfs/dbraw/zinc/32/40/64/1101324064.db2.gz BGYGBVXINPAEED-UHFFFAOYSA-N -1 3 373.806 4.461 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCC[C@H](O)C1 ZINC000439313074 1101325763 /nfs/dbraw/zinc/32/57/63/1101325763.db2.gz CNHZVECUROUNTH-OCCSQVGLSA-N -1 3 368.458 4.159 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3ccccc3Br)CC2)c([O-])c1 ZINC000439377275 1101386662 /nfs/dbraw/zinc/38/66/62/1101386662.db2.gz MCRMCHJTNAPXHJ-UHFFFAOYSA-N -1 3 374.278 4.483 20 0 FIADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(-c2cccnc2)cc1 ZINC000176658449 1101472041 /nfs/dbraw/zinc/47/20/41/1101472041.db2.gz BEZULSAOZURJSP-HNNXBMFYSA-N -1 3 369.424 4.081 20 0 FIADHM CCc1c(NC(=O)c2cc([O-])ccc2Cl)cnn1-c1ccccc1C ZINC000506640466 1101650476 /nfs/dbraw/zinc/65/04/76/1101650476.db2.gz ZQNJHNDCCOVCNG-UHFFFAOYSA-N -1 3 355.825 4.354 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C(C)C)[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000518910156 1101712380 /nfs/dbraw/zinc/71/23/80/1101712380.db2.gz HDKPWWSGIXXLMM-FXAWDEMLSA-N -1 3 368.481 4.302 20 0 FIADHM C[C@@H](Oc1ncc(Br)cc1[O-])c1c(Cl)cncc1Cl ZINC001228956376 1101981779 /nfs/dbraw/zinc/98/17/79/1101981779.db2.gz OQQNKEOYKMEJSM-ZCFIWIBFSA-N -1 3 364.026 4.392 20 0 FIADHM O=C(Cc1coc2cc(F)ccc12)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476155129 1101991911 /nfs/dbraw/zinc/99/19/11/1101991911.db2.gz LALGBCYJESXQIT-UHFFFAOYSA-N -1 3 353.271 4.478 20 0 FIADHM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476157975 1101996877 /nfs/dbraw/zinc/99/68/77/1101996877.db2.gz MFWOYHJGSJHMSJ-JTQLQIEISA-N -1 3 369.314 4.398 20 0 FIADHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000263374519 1102094658 /nfs/dbraw/zinc/09/46/58/1102094658.db2.gz WITDJSJHJHTGBO-NWDGAFQWSA-N -1 3 350.871 4.006 20 0 FIADHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000263374520 1102095326 /nfs/dbraw/zinc/09/53/26/1102095326.db2.gz WITDJSJHJHTGBO-RYUDHWBXSA-N -1 3 350.871 4.006 20 0 FIADHM C[C@@H]1[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCN1c1ccccc1 ZINC000476309442 1102098611 /nfs/dbraw/zinc/09/86/11/1102098611.db2.gz LLZAFPHNBUKPFE-IUODEOHRSA-N -1 3 364.367 4.265 20 0 FIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000475830967 1102118097 /nfs/dbraw/zinc/11/80/97/1102118097.db2.gz KCTNZWNFHVXGFV-UHFFFAOYSA-N -1 3 358.246 4.387 20 0 FIADHM O=C([O-])[C@H](CCNCc1csc(-c2ccsc2)n1)Cc1ccccc1 ZINC000426626999 1102182562 /nfs/dbraw/zinc/18/25/62/1102182562.db2.gz CGUWIBLRQRLCFD-OAHLLOKOSA-N -1 3 372.515 4.295 20 0 FIADHM Cc1ccccc1C[C@@H](CNCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000426641015 1102226972 /nfs/dbraw/zinc/22/69/72/1102226972.db2.gz XCZCPSHWADFCQQ-SFHVURJKSA-N -1 3 366.486 4.152 20 0 FIADHM CC(=O)c1sc([N-]C(=O)c2cc(C3CC3)no2)nc1-c1ccccc1 ZINC000440421963 1102314291 /nfs/dbraw/zinc/31/42/91/1102314291.db2.gz QVPZJHLLRWYFDB-UHFFFAOYSA-N -1 3 353.403 4.130 20 0 FIADHM Cc1ccc(C[C@@H](CNCc2ncc(-c3ccccc3)s2)C(=O)[O-])cc1 ZINC000426658073 1102382698 /nfs/dbraw/zinc/38/26/98/1102382698.db2.gz VCKVWTZMLZYSCY-SFHVURJKSA-N -1 3 366.486 4.152 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1C ZINC000110592140 1102396733 /nfs/dbraw/zinc/39/67/33/1102396733.db2.gz AEYDGFGEDQAFCI-UHFFFAOYSA-N -1 3 374.506 4.397 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3cc4ccccc4o3)o2)n1 ZINC000121746369 1102447376 /nfs/dbraw/zinc/44/73/76/1102447376.db2.gz WVJQTDNQWGJTIW-SNVBAGLBSA-N -1 3 354.391 4.140 20 0 FIADHM O=C([O-])[C@H](CCNCc1csc(-c2cccs2)n1)Cc1ccccc1 ZINC000426665081 1102606312 /nfs/dbraw/zinc/60/63/12/1102606312.db2.gz IWILQKHLRZZXGI-OAHLLOKOSA-N -1 3 372.515 4.295 20 0 FIADHM Cc1nc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])cs1 ZINC000101660710 1102651938 /nfs/dbraw/zinc/65/19/38/1102651938.db2.gz SVNYLWGCEXPWDX-UHFFFAOYSA-N -1 3 366.486 4.215 20 0 FIADHM C[C@H]1CCc2nc(CNCCC[C@@H](Cc3ccccc3)C(=O)[O-])sc2C1 ZINC000426675750 1102922216 /nfs/dbraw/zinc/92/22/16/1102922216.db2.gz VVMFAOLSXPDBEN-RDJZCZTQSA-N -1 3 372.534 4.081 20 0 FIADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1OCC(C)C ZINC000426694265 1102925914 /nfs/dbraw/zinc/92/59/14/1102925914.db2.gz HTMREZHOQNTIQL-MRXNPFEDSA-N -1 3 363.479 4.097 20 0 FIADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1OCC ZINC000426701043 1102929065 /nfs/dbraw/zinc/92/90/65/1102929065.db2.gz XIFSAEIGIJOVLG-FQEVSTJZSA-N -1 3 357.450 4.098 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Br)c(F)c1)c1cccc(Cl)c1 ZINC000426727167 1102943005 /nfs/dbraw/zinc/94/30/05/1102943005.db2.gz NEDZQWHYAOJXIN-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM O=C([O-])C[C@H](CNCc1coc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000426710925 1102946386 /nfs/dbraw/zinc/94/63/86/1102946386.db2.gz YJWUHKPKIFTIFY-MRXNPFEDSA-N -1 3 370.836 4.343 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(F)c(Cl)c2)cc1 ZINC000426734640 1102953613 /nfs/dbraw/zinc/95/36/13/1102953613.db2.gz QPTRFKNXYQPHME-KRWDZBQOSA-N -1 3 351.805 4.183 20 0 FIADHM Cc1cc(C)cc([C@@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])c1 ZINC000426742043 1102957831 /nfs/dbraw/zinc/95/78/31/1102957831.db2.gz IHRQTKUQPGDFEB-MRXNPFEDSA-N -1 3 366.230 4.121 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000426752858 1102968272 /nfs/dbraw/zinc/96/82/72/1102968272.db2.gz FSWQIEPBYCOLPZ-YCRPNKLZSA-N -1 3 364.420 4.439 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 ZINC000426755031 1102970384 /nfs/dbraw/zinc/97/03/84/1102970384.db2.gz WCRUHLHYQVYHKL-BLLLJJGKSA-N -1 3 358.488 4.423 20 0 FIADHM Cc1nc(C)c(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000426756653 1102971556 /nfs/dbraw/zinc/97/15/56/1102971556.db2.gz LRYBNKCQIGFCES-CYBMUJFWSA-N -1 3 359.278 4.372 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnc(C(C)(C)C)s2)cc1 ZINC000426757629 1102972343 /nfs/dbraw/zinc/97/23/43/1102972343.db2.gz PLVYGIRDHZXOAT-MRXNPFEDSA-N -1 3 362.495 4.145 20 0 FIADHM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)n1 ZINC000614857408 1102987182 /nfs/dbraw/zinc/98/71/82/1102987182.db2.gz XDHPQICNFFXAQP-UHFFFAOYSA-N -1 3 371.462 4.080 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000426791757 1102993836 /nfs/dbraw/zinc/99/38/36/1102993836.db2.gz GMQHONALPNLLSA-LBPRGKRZSA-N -1 3 360.660 4.080 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1cccc(Cl)c1 ZINC000426805226 1103002943 /nfs/dbraw/zinc/00/29/43/1103002943.db2.gz ZLGZCLDZFPQKNG-AWEZNQCLSA-N -1 3 373.758 4.386 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1 ZINC000614863688 1103012053 /nfs/dbraw/zinc/01/20/53/1103012053.db2.gz YNGMHIWJSZTOID-UHFFFAOYSA-N -1 3 363.479 4.372 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000426824096 1103021719 /nfs/dbraw/zinc/02/17/19/1103021719.db2.gz GKCBTKVJIWIVEZ-AWEZNQCLSA-N -1 3 361.722 4.413 20 0 FIADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1Cl ZINC000426825062 1103023439 /nfs/dbraw/zinc/02/34/39/1103023439.db2.gz KQDPPSMKJNLRHG-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM Cc1nc(COc2ccc(CN[C@@H](C(=O)[O-])c3ccsc3)cc2)cs1 ZINC000426838140 1103031535 /nfs/dbraw/zinc/03/15/35/1103031535.db2.gz ZEXBJIRELNWWME-QGZVFWFLSA-N -1 3 374.487 4.008 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)C[C@H](C)c2c[nH]c3ccccc32)c([O-])c1 ZINC000426994397 1103150372 /nfs/dbraw/zinc/15/03/72/1103150372.db2.gz ZGYJZIXVGWFQDJ-ZDUSSCGKSA-N -1 3 366.417 4.183 20 0 FIADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1F ZINC000551420972 1103202376 /nfs/dbraw/zinc/20/23/76/1103202376.db2.gz PKMIWVRGUCZXBQ-MRXNPFEDSA-N -1 3 355.331 4.459 20 0 FIADHM Cc1cc(F)ccc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000551421161 1103202437 /nfs/dbraw/zinc/20/24/37/1103202437.db2.gz WZVNBOZESICZDC-INIZCTEOSA-N -1 3 355.331 4.459 20 0 FIADHM COc1ccc(OC)c([C@H](C)NCc2cccc([O-])c2Br)c1 ZINC000315397090 1103251858 /nfs/dbraw/zinc/25/18/58/1103251858.db2.gz PZOUUGNBLGJDTL-NSHDSACASA-N -1 3 366.255 4.023 20 0 FIADHM Cc1c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c2ccccc2n1C ZINC000551467987 1103260775 /nfs/dbraw/zinc/26/07/75/1103260775.db2.gz QYPBSLTUOPZOCJ-UHFFFAOYSA-N -1 3 352.818 4.080 20 0 FIADHM COc1ccc(F)cc1[C@@H](C)NCc1cccc([O-])c1Br ZINC000315475554 1103277158 /nfs/dbraw/zinc/27/71/58/1103277158.db2.gz ZCIQQZODRYNZHG-SNVBAGLBSA-N -1 3 354.219 4.153 20 0 FIADHM CC[C@H](CNC(=O)c1cc([O-])ccc1Cl)Oc1cccc(Cl)c1 ZINC000551513945 1103303264 /nfs/dbraw/zinc/30/32/64/1103303264.db2.gz BBGQSVOEQLKSNZ-CYBMUJFWSA-N -1 3 354.233 4.286 20 0 FIADHM CN(Cc1c(F)ccc([O-])c1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000507522909 1103467477 /nfs/dbraw/zinc/46/74/77/1103467477.db2.gz ABXPBVDORZGTEC-RDJZCZTQSA-N -1 3 374.214 4.067 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c1 ZINC000507642110 1103580677 /nfs/dbraw/zinc/58/06/77/1103580677.db2.gz AVHWLDIDJAILNQ-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM CC(C)Cc1csc2nc(-c3ccnc(OC(F)F)c3)[n-]c(=O)c12 ZINC000507677390 1103606519 /nfs/dbraw/zinc/60/65/19/1103606519.db2.gz KWIAHAWZUOQGST-UHFFFAOYSA-N -1 3 351.378 4.259 20 0 FIADHM CC1(C)CC[C@H]2C[C@@H](NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c3cccc1c32 ZINC000519619418 1103746539 /nfs/dbraw/zinc/74/65/39/1103746539.db2.gz WPAGNHSWPIYSLJ-XJKSGUPXSA-N -1 3 363.461 4.089 20 0 FIADHM CCCc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[nH]c(C)c1C(C)=O ZINC000440989797 1104063256 /nfs/dbraw/zinc/06/32/56/1104063256.db2.gz OQCKQTWUTBSPKY-UHFFFAOYSA-N -1 3 368.355 4.455 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c(C)o1 ZINC000461122537 1104120967 /nfs/dbraw/zinc/12/09/67/1104120967.db2.gz CIDFHFAFFPEUSV-UHFFFAOYSA-N -1 3 364.648 4.113 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(Br)c1 ZINC000507736146 1104150903 /nfs/dbraw/zinc/15/09/03/1104150903.db2.gz DJGDVBHISFDJBD-MRVPVSSYSA-N -1 3 372.621 4.438 20 0 FIADHM CSc1ccccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000188484646 1104640205 /nfs/dbraw/zinc/64/02/05/1104640205.db2.gz UFGVEXBTGGCVNR-UHFFFAOYSA-N -1 3 354.472 4.169 20 0 FIADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c([O-])c1 ZINC000188775072 1104749784 /nfs/dbraw/zinc/74/97/84/1104749784.db2.gz GWNIEHDKEZBTDF-CYBMUJFWSA-N -1 3 361.825 4.022 20 0 FIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000190642245 1104969849 /nfs/dbraw/zinc/96/98/49/1104969849.db2.gz XBHRKZVZDPCFGC-UHFFFAOYSA-N -1 3 357.154 4.153 20 0 FIADHM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000417592846 1105001269 /nfs/dbraw/zinc/00/12/69/1105001269.db2.gz YNASCLBAZLFCGZ-KUHUBIRLSA-N -1 3 359.441 4.239 20 0 FIADHM CC(C)c1c([N-]S(=O)(=O)CCCCF)cnn1-c1ccc(Cl)cc1 ZINC000451041102 1106901599 /nfs/dbraw/zinc/90/15/99/1106901599.db2.gz MKCPEUMMJOBKEH-UHFFFAOYSA-N -1 3 373.881 4.141 20 0 FIADHM Cc1cc([C@@H](C)N2CCC[C@@]3(CCc4ccccc4O3)C2)oc1C(=O)[O-] ZINC000530173283 1106903525 /nfs/dbraw/zinc/90/35/25/1106903525.db2.gz TZFMTHSNXUNPKF-QVKFZJNVSA-N -1 3 355.434 4.207 20 0 FIADHM CCc1cccc(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)c1[O-] ZINC000544382388 1106912969 /nfs/dbraw/zinc/91/29/69/1106912969.db2.gz QZYKHECXWLCNAS-MRXNPFEDSA-N -1 3 357.454 4.219 20 0 FIADHM CC(F)(F)c1ccccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000451090548 1106923018 /nfs/dbraw/zinc/92/30/18/1106923018.db2.gz UTPCYBVCVUJOFV-UHFFFAOYSA-N -1 3 359.825 4.436 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)c3ccc(F)cc3)nc2)n1 ZINC000301164822 1106950374 /nfs/dbraw/zinc/95/03/74/1106950374.db2.gz DBVGDGHGKBXLAW-UHFFFAOYSA-N -1 3 366.440 4.335 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccccc4C)C[C@H]3C)nc2)n1 ZINC000301389146 1107012944 /nfs/dbraw/zinc/01/29/44/1107012944.db2.gz XWKPPNHJHIFOFD-SJLPKXTDSA-N -1 3 374.488 4.497 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)c3ccc(F)cc3F)nc2)n1 ZINC000301450995 1107034349 /nfs/dbraw/zinc/03/43/49/1107034349.db2.gz FXNZHQGDEUZVHL-LBPRGKRZSA-N -1 3 370.403 4.300 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)c3ccccc3F)nc2)n1 ZINC000301558968 1107070490 /nfs/dbraw/zinc/07/04/90/1107070490.db2.gz XISNGANWZFTHSN-CYBMUJFWSA-N -1 3 352.413 4.143 20 0 FIADHM [O-]c1ccc(CNc2nc(-c3ccccc3)ns2)cc1Br ZINC000301674651 1107106720 /nfs/dbraw/zinc/10/67/20/1107106720.db2.gz BOCBUPNXEJIAJI-UHFFFAOYSA-N -1 3 362.252 4.285 20 0 FIADHM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ncccc1[O-] ZINC000530700370 1107268667 /nfs/dbraw/zinc/26/86/67/1107268667.db2.gz PYMFYFXTNSTXQN-SNVBAGLBSA-N -1 3 359.838 4.108 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCc4nc(C)sc43)nc2)n1 ZINC000302045279 1107274842 /nfs/dbraw/zinc/27/48/42/1107274842.db2.gz UDVMCCUAXDPTNU-HNNXBMFYSA-N -1 3 367.478 4.061 20 0 FIADHM CC(C)Oc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000530777142 1107312947 /nfs/dbraw/zinc/31/29/47/1107312947.db2.gz QKDXMHAXXYGWBF-UHFFFAOYSA-N -1 3 350.212 4.194 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCSc2ccccc21 ZINC000530777079 1107313717 /nfs/dbraw/zinc/31/37/17/1107313717.db2.gz HDXIFQJPIPAVGA-GFCCVEGCSA-N -1 3 364.264 4.373 20 0 FIADHM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c2n1 ZINC000531008626 1107461361 /nfs/dbraw/zinc/46/13/61/1107461361.db2.gz GZIDLKQEBKJXAY-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM Cc1nc(COc2ccccc2C(=O)Nc2cc(F)ccc2[O-])cs1 ZINC000531133836 1107568731 /nfs/dbraw/zinc/56/87/31/1107568731.db2.gz YEVRCHOSEFMENI-UHFFFAOYSA-N -1 3 358.394 4.128 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531155405 1107612996 /nfs/dbraw/zinc/61/29/96/1107612996.db2.gz GFINLZQTCVZHKA-DTWKUNHWSA-N -1 3 366.177 4.462 20 0 FIADHM CCn1cc(CC(=O)Nc2cc(Br)ccc2[O-])c2ccccc21 ZINC000531254252 1107704094 /nfs/dbraw/zinc/70/40/94/1107704094.db2.gz XWSHEEKJITZTLI-UHFFFAOYSA-N -1 3 373.250 4.311 20 0 FIADHM COc1ccccc1-c1nnc([N-]C(=O)c2cnc(C(C)(C)C)s2)s1 ZINC000452524612 1107769563 /nfs/dbraw/zinc/76/95/63/1107769563.db2.gz OTSLZHIHWVYITI-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)c(C)c1 ZINC000614788554 1107770445 /nfs/dbraw/zinc/77/04/45/1107770445.db2.gz YXTSZJHNBIUIAR-UHFFFAOYSA-N -1 3 369.870 4.245 20 0 FIADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000475587543 1107813411 /nfs/dbraw/zinc/81/34/11/1107813411.db2.gz GGCONEOZYQYFJV-AWEZNQCLSA-N -1 3 361.360 4.106 20 0 FIADHM COC(=O)c1sc2[n-]c(-c3cc(C)c4ccccc4n3)nc(=O)c2c1C ZINC000487502033 1107879462 /nfs/dbraw/zinc/87/94/62/1107879462.db2.gz LGXMKZBRSSJVRZ-UHFFFAOYSA-N -1 3 365.414 4.016 20 0 FIADHM Cc1c(C(=O)Nc2c(C)c(Br)ccc2[O-])ccn1C(C)C ZINC000452748166 1107929903 /nfs/dbraw/zinc/92/99/03/1107929903.db2.gz KFUWQZALFQWAFH-UHFFFAOYSA-N -1 3 351.244 4.406 20 0 FIADHM CCO[C@H](CC(=O)Nc1c([O-])ccc(Br)c1C)C1=CCCC1 ZINC000452763631 1107941953 /nfs/dbraw/zinc/94/19/53/1107941953.db2.gz ZTDCFRUQQMUWDS-OAHLLOKOSA-N -1 3 368.271 4.307 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1OCCC ZINC000016095992 1108623096 /nfs/dbraw/zinc/62/30/96/1108623096.db2.gz YEIFEDPJPOJAHN-UHFFFAOYSA-N -1 3 363.479 4.373 20 0 FIADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(Br)cc1[O-] ZINC000532262079 1108735317 /nfs/dbraw/zinc/73/53/17/1108735317.db2.gz CJRHEFGKBRBKHB-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000524045490 1108755364 /nfs/dbraw/zinc/75/53/64/1108755364.db2.gz SNOKJBBCEFEKDF-VIFPVBQESA-N -1 3 359.731 4.470 20 0 FIADHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000524045489 1108755470 /nfs/dbraw/zinc/75/54/70/1108755470.db2.gz SNOKJBBCEFEKDF-SECBINFHSA-N -1 3 359.731 4.470 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cccc(F)c1F ZINC000102238967 1108796515 /nfs/dbraw/zinc/79/65/15/1108796515.db2.gz DWVWPDPVUPHLEF-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000016123566 1108824329 /nfs/dbraw/zinc/82/43/29/1108824329.db2.gz OUMWESBSULCLFX-UHFFFAOYSA-N -1 3 353.724 4.299 20 0 FIADHM CCSCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000610193602 1108824758 /nfs/dbraw/zinc/82/47/58/1108824758.db2.gz CIWACQMGNWSVEG-UHFFFAOYSA-N -1 3 351.493 4.058 20 0 FIADHM O=S(=O)([N-][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccco1 ZINC000445734246 1108974186 /nfs/dbraw/zinc/97/41/86/1108974186.db2.gz PQARRWANNKSEKP-QGZVFWFLSA-N -1 3 365.813 4.140 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC/C=C/c3ccccc3)c2)n1 ZINC000152188459 1109101677 /nfs/dbraw/zinc/10/16/77/1109101677.db2.gz UCIGEBBQUYJVKO-IZZDOVSWSA-N -1 3 373.456 4.431 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000525063509 1109246347 /nfs/dbraw/zinc/24/63/47/1109246347.db2.gz XWBSMHFNHNLXLI-ZYHUDNBSSA-N -1 3 368.177 4.175 20 0 FIADHM Cc1nc2cc([N-]S(=O)(=O)Cc3c(Cl)cccc3Cl)ccc2o1 ZINC000446819365 1109345320 /nfs/dbraw/zinc/34/53/20/1109345320.db2.gz SVXXVYAQUUYXSX-UHFFFAOYSA-N -1 3 371.245 4.385 20 0 FIADHM O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000525386452 1109360358 /nfs/dbraw/zinc/36/03/58/1109360358.db2.gz PDMVPOPXMVIIPV-XCBNKYQSSA-N -1 3 366.266 4.028 20 0 FIADHM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000525483130 1109398952 /nfs/dbraw/zinc/39/89/52/1109398952.db2.gz AXODBYVWFHPBSW-UHFFFAOYSA-N -1 3 373.405 4.427 20 0 FIADHM COc1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)ccc1F ZINC000447257217 1109488798 /nfs/dbraw/zinc/48/87/98/1109488798.db2.gz NXFVTQQPKPWTPR-UHFFFAOYSA-N -1 3 365.357 4.034 20 0 FIADHM COc1cccc(C(=O)Nc2ccccc2CN(C)c2ccccc2)c1[O-] ZINC000447702675 1109625140 /nfs/dbraw/zinc/62/51/40/1109625140.db2.gz ZRCLKPAUMDXQEF-UHFFFAOYSA-N -1 3 362.429 4.290 20 0 FIADHM CC(C)c1ncc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)s1 ZINC000448139693 1109729985 /nfs/dbraw/zinc/72/99/85/1109729985.db2.gz OZKPRZMVZBCCOR-UHFFFAOYSA-N -1 3 350.513 4.493 20 0 FIADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000527356811 1109748215 /nfs/dbraw/zinc/74/82/15/1109748215.db2.gz QQRMJSAZSVSHEJ-AWEZNQCLSA-N -1 3 372.428 4.125 20 0 FIADHM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000527355345 1109748382 /nfs/dbraw/zinc/74/83/82/1109748382.db2.gz PODOYLYYVJUHDK-UHFFFAOYSA-N -1 3 365.780 4.051 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(c4ccccc4)CC3)c2)n1 ZINC000528029676 1109888438 /nfs/dbraw/zinc/88/84/38/1109888438.db2.gz LDOPJSCLWBGSMY-UHFFFAOYSA-N -1 3 373.456 4.472 20 0 FIADHM COc1ccc2oc([C@@H](C)NC(=O)Cc3ccc([O-])c(F)c3)c(C)c2c1 ZINC000448928017 1109935865 /nfs/dbraw/zinc/93/58/65/1109935865.db2.gz ZPXKRDJEMYIOMN-GFCCVEGCSA-N -1 3 357.381 4.014 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000448935513 1109944350 /nfs/dbraw/zinc/94/43/50/1109944350.db2.gz AEXSFAQOGMJSMT-LJQANCHMSA-N -1 3 352.409 4.309 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc2cccc(Br)c21 ZINC000529275401 1110240820 /nfs/dbraw/zinc/24/08/20/1110240820.db2.gz NZDSOYVWMFQLNN-AWEZNQCLSA-N -1 3 365.227 4.182 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc2cccc(Br)c21 ZINC000529275401 1110240823 /nfs/dbraw/zinc/24/08/23/1110240823.db2.gz NZDSOYVWMFQLNN-AWEZNQCLSA-N -1 3 365.227 4.182 20 0 FIADHM CCC(=O)C1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000450293479 1110278739 /nfs/dbraw/zinc/27/87/39/1110278739.db2.gz JMHVPGWTPNBHTL-UHFFFAOYSA-N -1 3 366.442 4.367 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000120761321 1110280900 /nfs/dbraw/zinc/28/09/00/1110280900.db2.gz SARNCDVDWPTSPK-UHFFFAOYSA-N -1 3 364.832 4.111 20 0 FIADHM Clc1cc(CNC2(c3nn[n-]n3)CCCC2)ccc1-c1ccccc1 ZINC000529539875 1110284685 /nfs/dbraw/zinc/28/46/85/1110284685.db2.gz AXBBCUNVGCELOY-UHFFFAOYSA-N -1 3 353.857 4.079 20 0 FIADHM CCOc1cc(-c2ccccc2)sc1C(=O)[N-]c1nc2ccccn2n1 ZINC000538411074 1111130579 /nfs/dbraw/zinc/13/05/79/1111130579.db2.gz ZKAWGCUJWKHCSN-UHFFFAOYSA-N -1 3 364.430 4.109 20 0 FIADHM CCc1cccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1[O-] ZINC000538741591 1111274219 /nfs/dbraw/zinc/27/42/19/1111274219.db2.gz PTRBJLQXWAVKJP-UHFFFAOYSA-N -1 3 357.460 4.210 20 0 FIADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000667178464 1111376965 /nfs/dbraw/zinc/37/69/65/1111376965.db2.gz KWTMKYUYRQEMPX-HNAYVOBHSA-N -1 3 357.475 4.012 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000462075423 1111489791 /nfs/dbraw/zinc/48/97/91/1111489791.db2.gz NRUMQWMZGQLZMX-HAQNSBGRSA-N -1 3 360.262 4.119 20 0 FIADHM CC[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(OC)cc1 ZINC000539397873 1111549382 /nfs/dbraw/zinc/54/93/82/1111549382.db2.gz SMBVXWKUPUWMHD-AWEZNQCLSA-N -1 3 364.239 4.296 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)c1[O-] ZINC000552286236 1111650022 /nfs/dbraw/zinc/65/00/22/1111650022.db2.gz MBWVAWSDXCUUAO-UHFFFAOYSA-N -1 3 370.792 4.464 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1[O-] ZINC000552287188 1111650144 /nfs/dbraw/zinc/65/01/44/1111650144.db2.gz KNFUMEODFPOBDI-LLVKDONJSA-N -1 3 365.351 4.431 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc3cc(Cl)ccc3o2)c1F ZINC000478080230 1111672161 /nfs/dbraw/zinc/67/21/61/1111672161.db2.gz GERMQLJEVZNNPM-UHFFFAOYSA-N -1 3 365.719 4.403 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1csc(Cc2ccccc2F)n1 ZINC000552434347 1111705278 /nfs/dbraw/zinc/70/52/78/1111705278.db2.gz KTVIJOFYPXKFDJ-UHFFFAOYSA-N -1 3 362.813 4.484 20 0 FIADHM Cc1c(NC(=O)c2cc([O-])ccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000552684629 1111777065 /nfs/dbraw/zinc/77/70/65/1111777065.db2.gz NPAJLOKOGNTXCV-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)c1 ZINC000380361381 1111778890 /nfs/dbraw/zinc/77/88/90/1111778890.db2.gz NPAZVOAZAPZNJZ-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C(Cc1csc(-c2cccs2)n1)Nc1c([O-])cccc1Cl ZINC000552779922 1111810393 /nfs/dbraw/zinc/81/03/93/1111810393.db2.gz MYVASRXLICLJQV-UHFFFAOYSA-N -1 3 350.852 4.412 20 0 FIADHM CC(C)c1c([N-]S(=O)(=O)CCC2CC2)cnn1-c1ccccc1Cl ZINC000480249196 1112349986 /nfs/dbraw/zinc/34/99/86/1112349986.db2.gz PDCLDZJWFAAWFA-UHFFFAOYSA-N -1 3 367.902 4.191 20 0 FIADHM [O-]c1cccnc1CNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000480573361 1112486311 /nfs/dbraw/zinc/48/63/11/1112486311.db2.gz AMAUROBDCHBKQA-UHFFFAOYSA-N -1 3 352.394 4.210 20 0 FIADHM CCOc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1OCC ZINC000554940228 1112581509 /nfs/dbraw/zinc/58/15/09/1112581509.db2.gz FGJQXNLHQGBEKY-LBPRGKRZSA-N -1 3 363.841 4.334 20 0 FIADHM O=S(=O)([N-]Cc1ccc2ncccc2c1)c1cc(Cl)ccc1Cl ZINC000480744589 1112582146 /nfs/dbraw/zinc/58/21/46/1112582146.db2.gz YMWWJWHMAFJMEW-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM C[C@@H](CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H](C)CO)c1ccccc1 ZINC000489503114 1113025269 /nfs/dbraw/zinc/02/52/69/1113025269.db2.gz SZOADQOEZYEJSQ-IRXDYDNUSA-N -1 3 363.457 4.172 20 0 FIADHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000482877226 1113386827 /nfs/dbraw/zinc/38/68/27/1113386827.db2.gz BNVQPRVDNDQJBU-KRWDZBQOSA-N -1 3 362.404 4.033 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)C(C)(C)c3cccc(Cl)c3F)n[n-]2)o1 ZINC000483170242 1113460623 /nfs/dbraw/zinc/46/06/23/1113460623.db2.gz RVDXOSWSMVOCBU-UHFFFAOYSA-N -1 3 362.792 4.082 20 0 FIADHM COCc1nocc1C(=O)[N-]c1cc(C)ccc1SCC(F)(F)F ZINC000486377257 1113556636 /nfs/dbraw/zinc/55/66/36/1113556636.db2.gz VOQDEZMIXIPDPP-UHFFFAOYSA-N -1 3 360.357 4.036 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)nc2)n1 ZINC000486469382 1113574222 /nfs/dbraw/zinc/57/42/22/1113574222.db2.gz UPAYQWSJWGITAC-QFBILLFUSA-N -1 3 374.488 4.497 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@H]1C1CCCC1 ZINC000486623270 1113604707 /nfs/dbraw/zinc/60/47/07/1113604707.db2.gz COPGYBAVSSXFIA-HNNXBMFYSA-N -1 3 367.287 4.019 20 0 FIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)ccc1OC1CCCC1 ZINC000486653596 1113613418 /nfs/dbraw/zinc/61/34/18/1113613418.db2.gz FOOUSCOLAHKALT-UHFFFAOYSA-N -1 3 374.750 4.051 20 0 FIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)ccc1OC1CCCC1 ZINC000486653596 1113613420 /nfs/dbraw/zinc/61/34/20/1113613420.db2.gz FOOUSCOLAHKALT-UHFFFAOYSA-N -1 3 374.750 4.051 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1c(Cl)ccc2ccccc21 ZINC000486679576 1113621362 /nfs/dbraw/zinc/62/13/62/1113621362.db2.gz DCUNWGAFAXCSFU-GFCCVEGCSA-N -1 3 359.825 4.349 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000486785763 1113649374 /nfs/dbraw/zinc/64/93/74/1113649374.db2.gz DNWWUAIXFYAHDJ-QWFCFKBJSA-N -1 3 368.452 4.399 20 0 FIADHM Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(OCc2ccccc2)c1 ZINC000155827914 1113887314 /nfs/dbraw/zinc/88/73/14/1113887314.db2.gz LHWLEUGGEQYZRW-LJQANCHMSA-N -1 3 356.422 4.154 20 0 FIADHM Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(OCc2ccccc2)c1 ZINC000155827914 1113887318 /nfs/dbraw/zinc/88/73/18/1113887318.db2.gz LHWLEUGGEQYZRW-LJQANCHMSA-N -1 3 356.422 4.154 20 0 FIADHM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ncccc2[O-])c1 ZINC000175025245 1113901117 /nfs/dbraw/zinc/90/11/17/1113901117.db2.gz KOBGHNHXFNYCHL-UHFFFAOYSA-N -1 3 361.829 4.068 20 0 FIADHM CCSc1nnc([N-]C(=O)c2scc(C)c2Br)s1 ZINC000488564466 1113955355 /nfs/dbraw/zinc/95/53/55/1113955355.db2.gz KHHXIKFMEKXGNE-UHFFFAOYSA-N -1 3 364.315 4.035 20 0 FIADHM Cc1ccc(CCC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000488672583 1113970727 /nfs/dbraw/zinc/97/07/27/1113970727.db2.gz FGWSOSUAPPCZSJ-UHFFFAOYSA-N -1 3 362.267 4.021 20 0 FIADHM CCC[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000488686675 1113973231 /nfs/dbraw/zinc/97/32/31/1113973231.db2.gz OLNFGVLYKPICHC-OAHLLOKOSA-N -1 3 362.267 4.355 20 0 FIADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc2nc(Cl)sc2c1 ZINC000912130065 1114064545 /nfs/dbraw/zinc/06/45/45/1114064545.db2.gz SXDBKXSGFPKUHS-UHFFFAOYSA-N -1 3 362.842 4.129 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3cccc(C)c3)c2)n1 ZINC000044197229 1114069432 /nfs/dbraw/zinc/06/94/32/1114069432.db2.gz KHDPKVGYBZASOF-UHFFFAOYSA-N -1 3 364.474 4.117 20 0 FIADHM COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000490187905 1114226321 /nfs/dbraw/zinc/22/63/21/1114226321.db2.gz PQLGKAZIFLHFLZ-QRWLVFNGSA-N -1 3 369.461 4.331 20 0 FIADHM COc1cc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000490550745 1114299455 /nfs/dbraw/zinc/29/94/55/1114299455.db2.gz ZNHZNCLDQGVNMP-MSOLQXFVSA-N -1 3 369.461 4.126 20 0 FIADHM O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cc(-c2ccco2)[n-]n1 ZINC000913298974 1114322250 /nfs/dbraw/zinc/32/22/50/1114322250.db2.gz VQLPPVMLBQTIRC-UHFFFAOYSA-N -1 3 369.764 4.335 20 0 FIADHM O=C(OCc1ncc(-c2cccc(Cl)c2)o1)c1cc(-c2ccco2)n[n-]1 ZINC000913298974 1114322255 /nfs/dbraw/zinc/32/22/55/1114322255.db2.gz VQLPPVMLBQTIRC-UHFFFAOYSA-N -1 3 369.764 4.335 20 0 FIADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)cc1Cl ZINC000913298442 1114322315 /nfs/dbraw/zinc/32/23/15/1114322315.db2.gz LNHGGOSZFVUMHE-UHFFFAOYSA-N -1 3 365.172 4.016 20 0 FIADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1Cl ZINC000913298442 1114322317 /nfs/dbraw/zinc/32/23/17/1114322317.db2.gz LNHGGOSZFVUMHE-UHFFFAOYSA-N -1 3 365.172 4.016 20 0 FIADHM O=C([O-])c1cccc(Cl)c1CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571537306 1114480438 /nfs/dbraw/zinc/48/04/38/1114480438.db2.gz FTURYGLMBNNUHO-HXUWFJFHSA-N -1 3 357.837 4.008 20 0 FIADHM CC(C)(C)c1nc(CC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cs1 ZINC000588699416 1114600728 /nfs/dbraw/zinc/60/07/28/1114600728.db2.gz OBZAGZXWQVZOKS-UHFFFAOYSA-N -1 3 374.897 4.087 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(-c3cccc(C)c3)c2)c1 ZINC000588704800 1114601506 /nfs/dbraw/zinc/60/15/06/1114601506.db2.gz HNLCCVRNJDYFSW-UHFFFAOYSA-N -1 3 374.440 4.256 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccccc3Br)[nH][n-]2)c1 ZINC000588928587 1114676060 /nfs/dbraw/zinc/67/60/60/1114676060.db2.gz OMOVJYQFRIVVHZ-UHFFFAOYSA-N -1 3 370.250 4.130 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000572866228 1114808225 /nfs/dbraw/zinc/80/82/25/1114808225.db2.gz YMFFFGSBALWUTA-YPAWHYETSA-N -1 3 373.452 4.190 20 0 FIADHM CSc1nc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)n[n-]1 ZINC000589694099 1114828659 /nfs/dbraw/zinc/82/86/59/1114828659.db2.gz LIDKOWQAAUDFHV-UHFFFAOYSA-N -1 3 374.853 4.011 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccc(-c2ccccc2F)o1 ZINC000590405569 1114927266 /nfs/dbraw/zinc/92/72/66/1114927266.db2.gz NLBVCOQDWFYGLG-UHFFFAOYSA-N -1 3 366.327 4.262 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Br)ncc1Cl ZINC000187658187 1114930714 /nfs/dbraw/zinc/93/07/14/1114930714.db2.gz UOBKYPSRTVWINH-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM CC(C)(C(=O)Nc1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000590701567 1114965888 /nfs/dbraw/zinc/96/58/88/1114965888.db2.gz YQSRSNIZUQIHPR-UHFFFAOYSA-N -1 3 352.203 4.210 20 0 FIADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCCCC2)c1 ZINC000591175377 1115028252 /nfs/dbraw/zinc/02/82/52/1115028252.db2.gz VKSVAMUXJOWDJT-UHFFFAOYSA-N -1 3 361.449 4.016 20 0 FIADHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCCCC2)c1 ZINC000591175377 1115028254 /nfs/dbraw/zinc/02/82/54/1115028254.db2.gz VKSVAMUXJOWDJT-UHFFFAOYSA-N -1 3 361.449 4.016 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2F)no1)C(=O)c1ccc(Cl)s1 ZINC000760815687 1115049705 /nfs/dbraw/zinc/04/97/05/1115049705.db2.gz PWWBDYDIKSWDID-UHFFFAOYSA-N -1 3 350.758 4.017 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)C(F)(F)F)cc2)cc1 ZINC000591796504 1115139684 /nfs/dbraw/zinc/13/96/84/1115139684.db2.gz BNKREKRRJKBNFG-UHFFFAOYSA-N -1 3 365.323 4.450 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CC[C@@H](c2cccnc2)C1 ZINC000573807957 1115183427 /nfs/dbraw/zinc/18/34/27/1115183427.db2.gz FIIJOQQTIHSUMQ-MLGOLLRUSA-N -1 3 351.233 4.004 20 0 FIADHM O=C1[N-]C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)c2ccccc21 ZINC000058340739 1115201469 /nfs/dbraw/zinc/20/14/69/1115201469.db2.gz BZIQMKIGLXHUFZ-KGENOOAVSA-N -1 3 355.393 4.076 20 0 FIADHM Cc1ccc(-c2nc(COC(=O)c3cc(-c4ccco4)[n-]n3)cs2)o1 ZINC000058679924 1115307708 /nfs/dbraw/zinc/30/77/08/1115307708.db2.gz VTJMBKWPQCFSEO-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM Cc1ccc(-c2nc(COC(=O)c3cc(-c4ccco4)n[n-]3)cs2)o1 ZINC000058679924 1115307711 /nfs/dbraw/zinc/30/77/11/1115307711.db2.gz VTJMBKWPQCFSEO-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4sc(Cl)cc4C3)nc2)n1 ZINC000574273350 1115317855 /nfs/dbraw/zinc/31/78/55/1115317855.db2.gz NRGMHBLSWOOBEO-UHFFFAOYSA-N -1 3 372.881 4.084 20 0 FIADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574650196 1115427037 /nfs/dbraw/zinc/42/70/37/1115427037.db2.gz RBSPTSDBARDYGZ-VIFPVBQESA-N -1 3 366.248 4.200 20 0 FIADHM O=C(CCc1cc(Cl)cs1)Nc1ccc(Br)cc1[O-] ZINC000605656309 1115914618 /nfs/dbraw/zinc/91/46/18/1115914618.db2.gz CTMULKYPWVJCRZ-UHFFFAOYSA-N -1 3 360.660 4.441 20 0 FIADHM C[C@@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(C(F)(F)F)c1 ZINC000606531767 1115953535 /nfs/dbraw/zinc/95/35/35/1115953535.db2.gz VGKSGMMFQBPGAN-LBPRGKRZSA-N -1 3 374.366 4.045 20 0 FIADHM Cc1ccc(OCc2ccc(C(=O)NCc3ccc([O-])c(F)c3)o2)c(C)c1 ZINC000606537399 1115953911 /nfs/dbraw/zinc/95/39/11/1115953911.db2.gz PAPDCKACRTXBDK-UHFFFAOYSA-N -1 3 369.392 4.250 20 0 FIADHM Cc1cccc(C2(CNC(=O)NCc3ccc([O-])c(F)c3)CCCC2)c1 ZINC000606667884 1115961942 /nfs/dbraw/zinc/96/19/42/1115961942.db2.gz VEDKOQCMECDISF-UHFFFAOYSA-N -1 3 356.441 4.151 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3C[C@@H](C)C[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000606916607 1115983089 /nfs/dbraw/zinc/98/30/89/1115983089.db2.gz NFXPCBAHXBHXMP-STQMWFEESA-N -1 3 354.454 4.104 20 0 FIADHM O=C(C/C=C/c1cccc(F)c1)Nc1cc(Br)ccc1[O-] ZINC000533965793 1116054915 /nfs/dbraw/zinc/05/49/15/1116054915.db2.gz WFSLUXHMWPOPSJ-DUXPYHPUSA-N -1 3 350.187 4.336 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1Cl ZINC000609015834 1116140605 /nfs/dbraw/zinc/14/06/05/1116140605.db2.gz JQAITDSGSSCQFF-UHFFFAOYSA-N -1 3 371.911 4.055 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c(C)c1 ZINC000609015905 1116140661 /nfs/dbraw/zinc/14/06/61/1116140661.db2.gz MIPINJCPDLSHDO-UHFFFAOYSA-N -1 3 365.520 4.100 20 0 FIADHM CCc1ccsc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000064097697 1116141860 /nfs/dbraw/zinc/14/18/60/1116141860.db2.gz ZGGGWUXJTHVOQI-SECBINFHSA-N -1 3 362.476 4.143 20 0 FIADHM CCOc1ccc(Cl)c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000456049193 1116152278 /nfs/dbraw/zinc/15/22/78/1116152278.db2.gz POXYEQKYNBXCHI-UHFFFAOYSA-N -1 3 363.845 4.093 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000456432734 1116188078 /nfs/dbraw/zinc/18/80/78/1116188078.db2.gz UQBVZCXSHUQLIA-CQSZACIVSA-N -1 3 367.342 4.075 20 0 FIADHM Cc1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cccc1-c1ccccn1 ZINC000534393508 1116193224 /nfs/dbraw/zinc/19/32/24/1116193224.db2.gz QPLBEAWVWQIVPV-UHFFFAOYSA-N -1 3 354.413 4.121 20 0 FIADHM COC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000457083890 1116244420 /nfs/dbraw/zinc/24/44/20/1116244420.db2.gz MPAFNHPESGYIGS-INIZCTEOSA-N -1 3 355.434 4.073 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457267552 1116261241 /nfs/dbraw/zinc/26/12/41/1116261241.db2.gz CZJHBNXFLJGKCK-NRFANRHFSA-N -1 3 358.441 4.286 20 0 FIADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C)on1 ZINC000462403566 1116345935 /nfs/dbraw/zinc/34/59/35/1116345935.db2.gz RCVJSVRGKHDKBV-UHFFFAOYSA-N -1 3 356.875 4.019 20 0 FIADHM O=c1nc(CN2CC[C@H](C3CC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000491280308 1116365723 /nfs/dbraw/zinc/36/57/23/1116365723.db2.gz YKPHNBNUAJWKSH-AWEZNQCLSA-N -1 3 369.465 4.023 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccsc2)c1Cl ZINC000669844029 1116381866 /nfs/dbraw/zinc/38/18/66/1116381866.db2.gz QRNHNNFDTGMRKT-SECBINFHSA-N -1 3 350.292 4.403 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3csc(C)n3)cc2)o1 ZINC000540204844 1117932584 /nfs/dbraw/zinc/93/25/84/1117932584.db2.gz JITNDAXWADUVOT-GFCCVEGCSA-N -1 3 362.476 4.059 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)o1 ZINC000540212747 1117939409 /nfs/dbraw/zinc/93/94/09/1117939409.db2.gz LQGQVTKBWPSMAA-HNNXBMFYSA-N -1 3 361.385 4.282 20 0 FIADHM COc1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)cc(OC)c1[O-] ZINC000463062967 1117948155 /nfs/dbraw/zinc/94/81/55/1117948155.db2.gz ZRTOCNMEIKROPY-UZLBHIALSA-N -1 3 369.461 4.099 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@@H](CC(C)C)c2cc(Cl)ccc2OC)n1 ZINC000540411561 1118038946 /nfs/dbraw/zinc/03/89/46/1118038946.db2.gz QVXFXHUEAPTZRW-INIZCTEOSA-N -1 3 363.889 4.284 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@H](C)C(C)C)nc(=O)c2c1C ZINC000463217027 1118040534 /nfs/dbraw/zinc/04/05/34/1118040534.db2.gz AQSOLWPCZOOLPC-GHMZBOCLSA-N -1 3 368.524 4.308 20 0 FIADHM CC(C)(CNC(=O)c1c[n-]c2ccccc2c1=O)c1c(F)cccc1Cl ZINC000464156130 1118460044 /nfs/dbraw/zinc/46/00/44/1118460044.db2.gz DMAFHSOGAWZRSW-UHFFFAOYSA-N -1 3 372.827 4.028 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cnnc(-c3ccccc3)c2)c(F)c1F ZINC000464285397 1118505647 /nfs/dbraw/zinc/50/56/47/1118505647.db2.gz OBHUHSMYPMFENJ-UHFFFAOYSA-N -1 3 371.318 4.016 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000541739660 1118627353 /nfs/dbraw/zinc/62/73/53/1118627353.db2.gz ACPYCBIFODEGIB-FXAWDEMLSA-N -1 3 357.425 4.086 20 0 FIADHM Cc1ccc(-c2csc3ncnc(NCc4cnc(C)[n-]c4=O)c23)cc1 ZINC000542259794 1118872440 /nfs/dbraw/zinc/87/24/40/1118872440.db2.gz PILRIDGINXPQMU-UHFFFAOYSA-N -1 3 363.446 4.083 20 0 FIADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2F)n1 ZINC000303471575 1118946728 /nfs/dbraw/zinc/94/67/28/1118946728.db2.gz QTTRJMHFCXAJFI-UHFFFAOYSA-N -1 3 359.788 4.240 20 0 FIADHM O=C1[N-]C(=O)/C(=C/c2csc(-c3ccc(Cl)cc3)n2)c2ccccc21 ZINC000030058216 1118971310 /nfs/dbraw/zinc/97/13/10/1118971310.db2.gz ZWRTYJSCHFBFPN-CXUHLZMHSA-N -1 3 366.829 4.274 20 0 FIADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cc(F)ccc1F ZINC000173224607 1119025686 /nfs/dbraw/zinc/02/56/86/1119025686.db2.gz RUDNVQZLTFWZAC-UHFFFAOYSA-N -1 3 365.792 4.313 20 0 FIADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000177741931 1119348782 /nfs/dbraw/zinc/34/87/82/1119348782.db2.gz JJEWAFZLAFARMA-VXGBXAGGSA-N -1 3 361.898 4.262 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000177913818 1119360753 /nfs/dbraw/zinc/36/07/53/1119360753.db2.gz OFLZUSIQEPASIV-ZDUSSCGKSA-N -1 3 354.479 4.041 20 0 FIADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCCCCC1 ZINC000178268883 1119381131 /nfs/dbraw/zinc/38/11/31/1119381131.db2.gz FMJCHFPOKLJANK-UHFFFAOYSA-N -1 3 355.276 4.019 20 0 FIADHM CC[C@](C)([N-]S(=O)(=O)c1cscc1C(F)F)c1nc(C)cs1 ZINC000914183457 1119440746 /nfs/dbraw/zinc/44/07/46/1119440746.db2.gz WAOPJQJXAHXDHW-ZDUSSCGKSA-N -1 3 366.480 4.054 20 0 FIADHM Cc1ncsc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186087673 1119705335 /nfs/dbraw/zinc/70/53/35/1119705335.db2.gz ZKKGKSGWHXEIDC-UHFFFAOYSA-N -1 3 354.819 4.015 20 0 FIADHM CSc1ccccc1[C@@H](C)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001626012846 1119886308 /nfs/dbraw/zinc/88/63/08/1119886308.db2.gz SSRHKOKMFWQGEV-SNVBAGLBSA-N -1 3 374.412 4.019 20 0 FIADHM CSc1cc(O)ccc1[N-]C(=O)c1cc2sc(N(C)C)nc2s1 ZINC000191181742 1119963568 /nfs/dbraw/zinc/96/35/68/1119963568.db2.gz QYATVBGHAZEBNV-UHFFFAOYSA-N -1 3 365.505 4.104 20 0 FIADHM Cc1cc(=O)[n-]c(CSc2nc3cc(C(F)(F)F)ccc3s2)n1 ZINC000761862049 1120557415 /nfs/dbraw/zinc/55/74/15/1120557415.db2.gz XZJHCHINJSJUBZ-UHFFFAOYSA-N -1 3 357.382 4.411 20 0 FIADHM Cc1nccn1-c1ccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cn1 ZINC000761917117 1120577123 /nfs/dbraw/zinc/57/71/23/1120577123.db2.gz DYJAKVHLCMNLLB-UHFFFAOYSA-N -1 3 361.405 4.122 20 0 FIADHM Cc1ccc(-c2nnc(COC(=O)c3cc(Cl)c(Cl)[n-]3)o2)cc1 ZINC000914895532 1120620290 /nfs/dbraw/zinc/62/02/90/1120620290.db2.gz IAGXVKXNYUQYQF-UHFFFAOYSA-N -1 3 352.177 4.037 20 0 FIADHM CCC[C@@H](NC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000914890411 1120627782 /nfs/dbraw/zinc/62/77/82/1120627782.db2.gz FLOAOXGNOMNMMQ-XJKSGUPXSA-N -1 3 370.474 4.432 20 0 FIADHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)c(Cl)c1 ZINC000914891977 1120629691 /nfs/dbraw/zinc/62/96/91/1120629691.db2.gz WSUASMBWFQEKHX-JTQLQIEISA-N -1 3 362.838 4.375 20 0 FIADHM CCN(CC)Cc1csc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)n1 ZINC000915144318 1120838074 /nfs/dbraw/zinc/83/80/74/1120838074.db2.gz MIVPMAKMSAKKTJ-UHFFFAOYSA-N -1 3 370.478 4.201 20 0 FIADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000915186477 1120859857 /nfs/dbraw/zinc/85/98/57/1120859857.db2.gz ZXYIGDSUKBZTLN-UHFFFAOYSA-N -1 3 364.470 4.125 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(Cl)cc(Cl)n1 ZINC000762424963 1120905245 /nfs/dbraw/zinc/90/52/45/1120905245.db2.gz KGYHWQZFKABBPX-UHFFFAOYSA-N -1 3 351.218 4.159 20 0 FIADHM CN(Cc1csc(Br)c1)C(=O)c1cc([O-])ccc1Cl ZINC000234307153 1120914217 /nfs/dbraw/zinc/91/42/17/1120914217.db2.gz HZZZCWJOFXYOPL-UHFFFAOYSA-N -1 3 360.660 4.142 20 0 FIADHM CC(=O)c1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000915563260 1121005157 /nfs/dbraw/zinc/00/51/57/1121005157.db2.gz CLQIBUXOVZIZFA-NSHDSACASA-N -1 3 370.430 4.134 20 0 FIADHM CCc1nnc([N-]C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)s1 ZINC000029784078 1121047857 /nfs/dbraw/zinc/04/78/57/1121047857.db2.gz MEAHQMZLHSZVEP-UHFFFAOYSA-N -1 3 372.397 4.290 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Cl)cc1F ZINC000033858982 1121130105 /nfs/dbraw/zinc/13/01/05/1121130105.db2.gz HTGAHMPDZOVYQP-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000041573559 1121140040 /nfs/dbraw/zinc/14/00/40/1121140040.db2.gz WRFAWEGEWQUHGT-UHFFFAOYSA-N -1 3 365.307 4.052 20 0 FIADHM Cc1ccc(-c2nc(CCNC(=O)c3cc([O-])c4ccccc4c3)co2)cc1 ZINC000472023366 1121180881 /nfs/dbraw/zinc/18/08/81/1121180881.db2.gz WSSCKAPLLUJLQN-UHFFFAOYSA-N -1 3 372.424 4.481 20 0 FIADHM CC(=O)Nc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(Cl)c1 ZINC000472024245 1121181303 /nfs/dbraw/zinc/18/13/03/1121181303.db2.gz FFRHYELZIQVBHI-UHFFFAOYSA-N -1 3 354.793 4.410 20 0 FIADHM CC(C)(C)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)cc1 ZINC000056009135 1121289229 /nfs/dbraw/zinc/28/92/29/1121289229.db2.gz YJRBEGINWRBDKA-IBGZPJMESA-N -1 3 352.409 4.184 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(C)c1 ZINC000064938370 1121644940 /nfs/dbraw/zinc/64/49/40/1121644940.db2.gz BKNQEHFCDDTTOH-UHFFFAOYSA-N -1 3 359.491 4.339 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000125399064 1121776508 /nfs/dbraw/zinc/77/65/08/1121776508.db2.gz XJHLQLPLAMWYIR-UHFFFAOYSA-N -1 3 374.318 4.019 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2nc(-c3ccccc3C)no2)n1 ZINC000125738325 1121821366 /nfs/dbraw/zinc/82/13/66/1121821366.db2.gz GLLILPXGQYWPAT-LBPRGKRZSA-N -1 3 356.451 4.097 20 0 FIADHM CCC(CC)n1ncc(C(=O)Nc2cc(Br)ccc2[O-])c1C ZINC000125740519 1121821915 /nfs/dbraw/zinc/82/19/15/1121821915.db2.gz XJWDQJZMJIFOLN-UHFFFAOYSA-N -1 3 366.259 4.273 20 0 FIADHM Cc1ccc([C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)c2ccccc2)cc1 ZINC000065044474 1121865136 /nfs/dbraw/zinc/86/51/36/1121865136.db2.gz QNPGSXLTJUYFFK-QFIPXVFZSA-N -1 3 368.436 4.356 20 0 FIADHM O=C(Oc1ccccc1C(=O)N1CCCCC1)c1cc2ccsc2[n-]1 ZINC000916859632 1121895555 /nfs/dbraw/zinc/89/55/55/1121895555.db2.gz BIEKKYGEVQPWRU-UHFFFAOYSA-N -1 3 354.431 4.075 20 0 FIADHM O=C(Nc1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1)c1ccco1 ZINC000916957039 1121969301 /nfs/dbraw/zinc/96/93/01/1121969301.db2.gz KRKDURRHBUZERS-UHFFFAOYSA-N -1 3 352.371 4.294 20 0 FIADHM O=C([N-]c1c(F)cccc1F)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000066752140 1122091469 /nfs/dbraw/zinc/09/14/69/1122091469.db2.gz UHEFPHBJRRHJHR-UHFFFAOYSA-N -1 3 374.368 4.112 20 0 FIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c(C)c1C ZINC000917409465 1122298809 /nfs/dbraw/zinc/29/88/09/1122298809.db2.gz BRTZALUTOHUMGF-UHFFFAOYSA-N -1 3 371.458 4.136 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3CCC(F)(F)F)n[n-]2)o1 ZINC000497747372 1122388486 /nfs/dbraw/zinc/38/84/86/1122388486.db2.gz FUQXURWGSPSSQJ-UHFFFAOYSA-N -1 3 364.327 4.120 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c(C)c1 ZINC000917713916 1122413795 /nfs/dbraw/zinc/41/37/95/1122413795.db2.gz NANHBNFHUHMIFF-UHFFFAOYSA-N -1 3 359.419 4.119 20 0 FIADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)c2ccccc21 ZINC000497805009 1122419877 /nfs/dbraw/zinc/41/98/77/1122419877.db2.gz TYCNTFUFWKDXNX-LBPRGKRZSA-N -1 3 356.372 4.384 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c(Cl)c1 ZINC000497862757 1122445396 /nfs/dbraw/zinc/44/53/96/1122445396.db2.gz CHGAKPVTVNUVCM-UHFFFAOYSA-N -1 3 357.834 4.376 20 0 FIADHM O=C([N-]Cc1ccccc1OCC(F)(F)F)C(F)(F)c1ccccc1 ZINC000917862758 1122461221 /nfs/dbraw/zinc/46/12/21/1122461221.db2.gz ISXIEGHOVKADRC-UHFFFAOYSA-N -1 3 359.294 4.036 20 0 FIADHM CC(C)Oc1cc(Br)cc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129175300 1122552218 /nfs/dbraw/zinc/55/22/18/1122552218.db2.gz HWLMPHQXRVTALS-UHFFFAOYSA-N -1 3 368.202 4.333 20 0 FIADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc2ccccc2c1 ZINC000918199108 1122589156 /nfs/dbraw/zinc/58/91/56/1122589156.db2.gz SVRKHQVFFVASIP-AWEZNQCLSA-N -1 3 369.442 4.129 20 0 FIADHM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129754805 1122694463 /nfs/dbraw/zinc/69/44/63/1122694463.db2.gz VQECWRDLSLCAJG-UHFFFAOYSA-N -1 3 350.777 4.032 20 0 FIADHM O=C(CCc1cc(Br)ccc1F)Nc1cccc([O-])c1F ZINC000129780022 1122697524 /nfs/dbraw/zinc/69/75/24/1122697524.db2.gz UGVSRCVFKNBPKX-UHFFFAOYSA-N -1 3 356.166 4.004 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(C4CC4)ccc3F)nc2)n1 ZINC000556220186 1122748304 /nfs/dbraw/zinc/74/83/04/1122748304.db2.gz WWUWETSNVPINNT-UHFFFAOYSA-N -1 3 364.424 4.435 20 0 FIADHM CCCCN(C(=O)c1cc(CC)ccc1[O-])[C@@H]1CCc2ncsc2C1 ZINC000649162708 1122818585 /nfs/dbraw/zinc/81/85/85/1122818585.db2.gz XGKUHFCDYDQGTB-OAHLLOKOSA-N -1 3 358.507 4.211 20 0 FIADHM Cc1ccc2cccc(NC(=O)c3c[n-]c4c(C)cc(F)cc4c3=O)c2n1 ZINC000131500291 1123095541 /nfs/dbraw/zinc/09/55/41/1123095541.db2.gz MPHDZBKUMQEBQN-UHFFFAOYSA-N -1 3 361.376 4.085 20 0 FIADHM CSCc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000131621061 1123138581 /nfs/dbraw/zinc/13/85/81/1123138581.db2.gz XQXIMMNMYGJODO-UHFFFAOYSA-N -1 3 356.422 4.091 20 0 FIADHM CCOc1cc(CNc2cccc([C@@H]3CCC(=O)N3)c2)cc(Cl)c1[O-] ZINC000556893903 1123170201 /nfs/dbraw/zinc/17/02/01/1123170201.db2.gz UOUTYAPRNXQLCX-INIZCTEOSA-N -1 3 360.841 4.008 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(F)ccc3F)nc(=O)c2c1C ZINC000919898762 1123249140 /nfs/dbraw/zinc/24/91/40/1123249140.db2.gz LNDJKYMIXKNRPB-QMMMGPOBSA-N -1 3 364.373 4.210 20 0 FIADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1csc(C2CC2)n1 ZINC000170803685 1123389440 /nfs/dbraw/zinc/38/94/40/1123389440.db2.gz QLKIHQFDOLLVKG-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc2ccccc21 ZINC000920424170 1123455446 /nfs/dbraw/zinc/45/54/46/1123455446.db2.gz YGHFOXFVZRTJRT-CQSZACIVSA-N -1 3 369.442 4.129 20 0 FIADHM O=C([N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1)C(F)(F)c1ccc(F)cc1 ZINC000920844074 1123527798 /nfs/dbraw/zinc/52/77/98/1123527798.db2.gz PXGXILBGXQRFIX-IAGOWNOFSA-N -1 3 367.342 4.093 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3csc4ccccc34)cc2)n1 ZINC000195489053 1123567021 /nfs/dbraw/zinc/56/70/21/1123567021.db2.gz LSUPMGHMYGOQNX-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1occc1Br ZINC000134166128 1123599159 /nfs/dbraw/zinc/59/91/59/1123599159.db2.gz CHELLMXKQQPHOJ-UHFFFAOYSA-N -1 3 350.090 4.019 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1sccc1OC(F)F ZINC000135163494 1123723299 /nfs/dbraw/zinc/72/32/99/1123723299.db2.gz RMRXVIHRUIABBA-UHFFFAOYSA-N -1 3 370.768 4.040 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000195646058 1123897661 /nfs/dbraw/zinc/89/76/61/1123897661.db2.gz LYLOQFSZTLUNNR-UHFFFAOYSA-N -1 3 350.374 4.149 20 0 FIADHM COc1cccc(F)c1[C@H](C)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000179912666 1124140085 /nfs/dbraw/zinc/14/00/85/1124140085.db2.gz UUTBLTYEAXOVPO-JTQLQIEISA-N -1 3 351.805 4.247 20 0 FIADHM CCCOc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1OCCC ZINC000303862181 1124506301 /nfs/dbraw/zinc/50/63/01/1124506301.db2.gz WSMDJRMEZHDBNM-UHFFFAOYSA-N -1 3 361.413 4.039 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)[C@@H]4CCCC[C@@H]43)cc2)cc(=O)[n-]1 ZINC000542932816 1124900649 /nfs/dbraw/zinc/90/06/49/1124900649.db2.gz XCAGRJSZRFXIAS-IXDGSTSKSA-N -1 3 366.465 4.200 20 0 FIADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(-c3ccccc3)nc2C)cc1 ZINC000181415726 1124912677 /nfs/dbraw/zinc/91/26/77/1124912677.db2.gz DXULBDYDHYMROE-GOSISDBHSA-N -1 3 373.412 4.174 20 0 FIADHM C[C@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000253542457 1124937457 /nfs/dbraw/zinc/93/74/57/1124937457.db2.gz UWKAJKFRUJYAIK-UMSPYCQHSA-N -1 3 363.255 4.011 20 0 FIADHM Cc1cc(C(C#N)=C([O-])C=Cc2cccc(OC3CCCC3)c2)nc(C)n1 ZINC000070032611 1125245043 /nfs/dbraw/zinc/24/50/43/1125245043.db2.gz GJVHRJZTFUQMTP-CTDFXDFQSA-N -1 3 361.445 4.305 20 0 FIADHM CC(C)CN(CCc1ccc(F)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000618714533 1125254246 /nfs/dbraw/zinc/25/42/46/1125254246.db2.gz GBSMTSZBEVNBEU-UHFFFAOYSA-N -1 3 366.436 4.008 20 0 FIADHM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1)c1cc(F)ccc1Cl ZINC001212477858 1125281897 /nfs/dbraw/zinc/28/18/97/1125281897.db2.gz MQJACVAZUNXRGN-UHFFFAOYSA-N -1 3 368.644 4.264 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(Cl)c1 ZINC000763511322 1125311734 /nfs/dbraw/zinc/31/17/34/1125311734.db2.gz ZZODSBXWGUAJBS-UHFFFAOYSA-N -1 3 365.669 4.459 20 0 FIADHM O=C(Nc1cccc(C(F)(F)F)c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC000032605786 208033957 /nfs/dbraw/zinc/03/39/57/208033957.db2.gz BYNHNBVZQYJLHA-UHFFFAOYSA-N -1 3 366.726 4.453 20 0 FIADHM O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2c(Cl)cccc2c1[O-] ZINC000032605786 208033958 /nfs/dbraw/zinc/03/39/58/208033958.db2.gz BYNHNBVZQYJLHA-UHFFFAOYSA-N -1 3 366.726 4.453 20 0 FIADHM CC(C)(C)c1cc2c([n-]c(Cc3nc(-c4ccccc4)no3)nc2=O)s1 ZINC000601831827 567850807 /nfs/dbraw/zinc/85/08/07/567850807.db2.gz HIIWBYLVIFVCPN-UHFFFAOYSA-N -1 3 366.446 4.335 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c(F)c1F ZINC000461103274 567958153 /nfs/dbraw/zinc/95/81/53/567958153.db2.gz NBDNLPHNLQWVOH-VIFPVBQESA-N -1 3 365.355 4.035 20 0 FIADHM COC(=O)c1c(Cl)ccc([N-]C(=O)c2cc(C(C)C)on2)c1Cl ZINC000602385844 567974087 /nfs/dbraw/zinc/97/40/87/567974087.db2.gz RLHAYTAUFIZLLU-UHFFFAOYSA-N -1 3 357.193 4.144 20 0 FIADHM O=C(NCc1cccc(C(F)(F)F)c1)c1cc([O-])ccc1C(F)(F)F ZINC000188863266 568004941 /nfs/dbraw/zinc/00/49/41/568004941.db2.gz MXVHSYBAQSYNRU-UHFFFAOYSA-N -1 3 363.257 4.360 20 0 FIADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000522758301 568053311 /nfs/dbraw/zinc/05/33/11/568053311.db2.gz RGXSHZFGPPOIMZ-ZDUSSCGKSA-N -1 3 360.287 4.119 20 0 FIADHM Cc1noc(C)c1[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000603736818 568152816 /nfs/dbraw/zinc/15/28/16/568152816.db2.gz LVNKNNMKYQPSQM-ZDUSSCGKSA-N -1 3 350.418 4.079 20 0 FIADHM CCc1noc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000604049351 568201248 /nfs/dbraw/zinc/20/12/48/568201248.db2.gz PINZFHMIDHEDCH-UHFFFAOYSA-N -1 3 374.447 4.036 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)C(C)(C)C)cc2)cc1 ZINC000604305917 568247428 /nfs/dbraw/zinc/24/74/28/568247428.db2.gz NQWWFBYIJGOULW-OAHLLOKOSA-N -1 3 374.506 4.417 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c(C)c1 ZINC000303200545 568257200 /nfs/dbraw/zinc/25/72/00/568257200.db2.gz XKCNOEDHRVGCSI-UHFFFAOYSA-N -1 3 355.406 4.057 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)cc1Br ZINC000604858438 568378835 /nfs/dbraw/zinc/37/88/35/568378835.db2.gz JVHBQIFWFOYACW-UHFFFAOYSA-N -1 3 368.296 4.484 20 0 FIADHM CCCCc1ccc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000604933080 568395230 /nfs/dbraw/zinc/39/52/30/568395230.db2.gz WRTMVWYSUJFVSE-UHFFFAOYSA-N -1 3 352.463 4.184 20 0 FIADHM Cc1ccc2nc(COc3ccc(C(=O)Nc4ccccc4[O-])cc3)cn2c1 ZINC000010892911 568446667 /nfs/dbraw/zinc/44/66/67/568446667.db2.gz BBERBCNWZQHPCP-UHFFFAOYSA-N -1 3 373.412 4.180 20 0 FIADHM C[C@@H](SCc1cc2ccccc2[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187940 599325843 /nfs/dbraw/zinc/32/58/43/599325843.db2.gz DPIVEJLKIOQRAX-GFCCVEGCSA-N -1 3 363.446 4.115 20 0 FIADHM C[C@@H](SCc1cc2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187940 599325845 /nfs/dbraw/zinc/32/58/45/599325845.db2.gz DPIVEJLKIOQRAX-GFCCVEGCSA-N -1 3 363.446 4.115 20 0 FIADHM O=c1nc(CN2C[C@H]3CCC[C@@H]3C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000152892358 1125676641 /nfs/dbraw/zinc/67/66/41/1125676641.db2.gz WRGPRYUDLMMGDC-ZIAGYGMSSA-N -1 3 369.465 4.023 20 0 FIADHM COc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc(OC)c1[O-] ZINC000153223721 1125760594 /nfs/dbraw/zinc/76/05/94/1125760594.db2.gz OENRZTNTNNOLSD-GOSISDBHSA-N -1 3 361.413 4.066 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(-c2noc(C3CC3)n2)c1 ZINC000153550450 1079622111 /nfs/dbraw/zinc/62/21/11/1079622111.db2.gz OWYRUCMNEJJPIU-UHFFFAOYSA-N -1 3 355.781 4.225 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(Cl)cc1F ZINC000471113068 1079670724 /nfs/dbraw/zinc/67/07/24/1079670724.db2.gz QDWHCAVMUDEUBT-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM CC[C@@H](C)Oc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000683170333 1079795167 /nfs/dbraw/zinc/79/51/67/1079795167.db2.gz KZVJWGRBUHZOTQ-CZUORRHYSA-N -1 3 363.479 4.240 20 0 FIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)ccc1Cl ZINC000683175304 1079822486 /nfs/dbraw/zinc/82/24/86/1079822486.db2.gz UEOABKNXPGEHQV-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM CCc1csc(CC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)n1 ZINC000655262681 1080114715 /nfs/dbraw/zinc/11/47/15/1080114715.db2.gz GLXWVRFURWZXFE-UHFFFAOYSA-N -1 3 364.898 4.159 20 0 FIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)ccc1C ZINC000134442434 1080229095 /nfs/dbraw/zinc/22/90/95/1080229095.db2.gz RXKDCZAIZFYKQJ-UHFFFAOYSA-N -1 3 360.479 4.052 20 0 FIADHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccccc3)no2)cc1C ZINC000326700175 1080841960 /nfs/dbraw/zinc/84/19/60/1080841960.db2.gz VLRFHNICQYSGSS-UHFFFAOYSA-N -1 3 356.403 4.141 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)sc1C ZINC000683546160 1081065931 /nfs/dbraw/zinc/06/59/31/1081065931.db2.gz YLFBAEVICAUCAD-UHFFFAOYSA-N -1 3 350.856 4.184 20 0 FIADHM Cc1cc(C2CC2)nc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)n1 ZINC000890990546 1081207342 /nfs/dbraw/zinc/20/73/42/1081207342.db2.gz NVKTUBGLPDGDQA-UHFFFAOYSA-N -1 3 362.764 4.043 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(Sc2ccccc2)c1 ZINC000683613484 1081224810 /nfs/dbraw/zinc/22/48/10/1081224810.db2.gz MXEMOHTTZPVYGE-AWEZNQCLSA-N -1 3 366.364 4.215 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000471528597 1081552440 /nfs/dbraw/zinc/55/24/40/1081552440.db2.gz MFNUYEVTIRGHCP-UHFFFAOYSA-N -1 3 369.223 4.327 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C/C=C\c3ccccc3F)cc2)n1 ZINC000255088467 1081559695 /nfs/dbraw/zinc/55/96/95/1081559695.db2.gz BEASOPQUMQGVPI-XQRVVYSFSA-N -1 3 363.392 4.339 20 0 FIADHM CCc1cccc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c1[O-] ZINC000548059578 1081579814 /nfs/dbraw/zinc/57/98/14/1081579814.db2.gz FPQFVEIQMKJFOJ-UHFFFAOYSA-N -1 3 364.445 4.424 20 0 FIADHM O=C([O-])c1ccc(-c2nc(CN3CCC[C@H](C4CCC4)CC3)co2)cc1 ZINC000634697761 1081954628 /nfs/dbraw/zinc/95/46/28/1081954628.db2.gz RHOMWZZRZPMVSB-INIZCTEOSA-N -1 3 354.450 4.442 20 0 FIADHM O=C([N-]c1nc(CC(F)(F)F)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000580475865 1081964138 /nfs/dbraw/zinc/96/41/38/1081964138.db2.gz QGUNZLDLSYRNDR-UHFFFAOYSA-N -1 3 371.315 4.294 20 0 FIADHM CCN(Cc1cccc(C(=O)[O-])c1Cl)[C@H](COC)Cc1ccccc1 ZINC000580574880 1082023536 /nfs/dbraw/zinc/02/35/36/1082023536.db2.gz OPXLDCBEURSFLJ-KRWDZBQOSA-N -1 3 361.869 4.118 20 0 FIADHM C[C@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001266625775 1082028378 /nfs/dbraw/zinc/02/83/78/1082028378.db2.gz MCNHTTQWNPRFIV-GTNSWQLSSA-N -1 3 351.343 4.496 20 0 FIADHM Cc1oc(CN(C)CCCc2ccccc2Br)cc1C(=O)[O-] ZINC000580652473 1082064497 /nfs/dbraw/zinc/06/44/97/1082064497.db2.gz GPFKEEQKZZNNAT-UHFFFAOYSA-N -1 3 366.255 4.113 20 0 FIADHM C[C@]12CN(Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000581082029 1082304024 /nfs/dbraw/zinc/30/40/24/1082304024.db2.gz DZYZBVDOQNWBRN-LZBIWBOVSA-N -1 3 368.502 4.376 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(Br)c1 ZINC000313203636 1082504345 /nfs/dbraw/zinc/50/43/45/1082504345.db2.gz CYDACBZNGXDAKQ-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000471655056 1082561803 /nfs/dbraw/zinc/56/18/03/1082561803.db2.gz GCCDIHPKBNXOSX-LJQANCHMSA-N -1 3 367.836 4.029 20 0 FIADHM CC(C)Cc1ncc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000124045483 1082570815 /nfs/dbraw/zinc/57/08/15/1082570815.db2.gz URDIVKSETKNNOG-UHFFFAOYSA-N -1 3 358.507 4.142 20 0 FIADHM CCCOc1ccc(CN[C@H](CC(=O)[O-])c2cccc(OC)c2)c(C)c1 ZINC000656565169 1082580850 /nfs/dbraw/zinc/58/08/50/1082580850.db2.gz HGKIROWKAWIUIQ-HXUWFJFHSA-N -1 3 357.450 4.098 20 0 FIADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1c(F)cccc1OC(F)(F)F ZINC000656568003 1082585049 /nfs/dbraw/zinc/58/50/49/1082585049.db2.gz NDBICDNJPGPVRS-YGRLFVJLSA-N -1 3 363.351 4.093 20 0 FIADHM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc2c(c1)CCC2 ZINC000581450418 1082590546 /nfs/dbraw/zinc/59/05/46/1082590546.db2.gz GBQAYLGIBVKBTD-UHFFFAOYSA-N -1 3 366.442 4.163 20 0 FIADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc([O-])c3ccccc3c1)CCC2 ZINC000684280068 1082610516 /nfs/dbraw/zinc/61/05/16/1082610516.db2.gz FYJSPOOHVFQFAL-QGZVFWFLSA-N -1 3 352.459 4.460 20 0 FIADHM CC(F)(F)c1ccccc1[N-]S(=O)(=O)CCc1ccccc1Cl ZINC000656630842 1082647000 /nfs/dbraw/zinc/64/70/00/1082647000.db2.gz FKBCSTDFTZZXJW-UHFFFAOYSA-N -1 3 359.825 4.436 20 0 FIADHM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCC(c2ccco2)CC1 ZINC000656756575 1082751090 /nfs/dbraw/zinc/75/10/90/1082751090.db2.gz GIBARSXGJIBCKH-MRXNPFEDSA-N -1 3 353.340 4.304 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC[C@H](C2CCCCC2)C1 ZINC000656761389 1082753138 /nfs/dbraw/zinc/75/31/38/1082753138.db2.gz QGFPLJPUHLIUJE-KRWDZBQOSA-N -1 3 355.482 4.157 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC(C)(C)CC(C)(C)C1 ZINC000656764182 1082755655 /nfs/dbraw/zinc/75/56/55/1082755655.db2.gz VDGWDBPPECDSGF-UHFFFAOYSA-N -1 3 357.498 4.403 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000581862430 1082935802 /nfs/dbraw/zinc/93/58/02/1082935802.db2.gz MGFCOVIGBQUOTR-UHFFFAOYSA-N -1 3 366.179 4.276 20 0 FIADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000510555919 1083162785 /nfs/dbraw/zinc/16/27/85/1083162785.db2.gz XHVRFCFQUHNWLH-UHFFFAOYSA-N -1 3 355.809 4.084 20 0 FIADHM COCc1ncc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)s1 ZINC000510692782 1083242531 /nfs/dbraw/zinc/24/25/31/1083242531.db2.gz ILWIHRCCPHWNME-UHFFFAOYSA-N -1 3 358.394 4.473 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000016088971 1083353013 /nfs/dbraw/zinc/35/30/13/1083353013.db2.gz DIMCQDQFRWBRGM-UHFFFAOYSA-N -1 3 350.654 4.125 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092283643 1083371286 /nfs/dbraw/zinc/37/12/86/1083371286.db2.gz QETMDLSRLUJKDK-CQSZACIVSA-N -1 3 374.309 4.163 20 0 FIADHM O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc([O-])ccc1Cl ZINC000584462431 1083587974 /nfs/dbraw/zinc/58/79/74/1083587974.db2.gz DJQCPUDCHQAVPW-UHFFFAOYSA-N -1 3 372.783 4.302 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCC2(CCOCC2)C1 ZINC000584474833 1083727647 /nfs/dbraw/zinc/72/76/47/1083727647.db2.gz IYUYQHQHIDJVLN-OAHLLOKOSA-N -1 3 358.265 4.012 20 0 FIADHM CC[C@H](OC1CCCC1)C(=O)Nc1c([O-])ccc(Br)c1C ZINC000413830329 1083927625 /nfs/dbraw/zinc/92/76/25/1083927625.db2.gz GCBZKCYIJHBFEE-AWEZNQCLSA-N -1 3 356.260 4.139 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1 ZINC000612721431 1084008203 /nfs/dbraw/zinc/00/82/03/1084008203.db2.gz YSCMAWLTZPPKRU-HNNXBMFYSA-N -1 3 373.449 4.131 20 0 FIADHM CSc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1Cl ZINC000413953649 1084167096 /nfs/dbraw/zinc/16/70/96/1084167096.db2.gz KBDKINVLYRKVJD-UHFFFAOYSA-N -1 3 365.886 4.416 20 0 FIADHM [O-]c1cc(F)cc(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000472048462 1084173774 /nfs/dbraw/zinc/17/37/74/1084173774.db2.gz QQTUOQPXZMRLAR-UHFFFAOYSA-N -1 3 351.303 4.348 20 0 FIADHM CCOc1ccc(-c2nc(CC)c(C(=O)Nc3ncccc3[O-])s2)cc1 ZINC000472507888 1084357204 /nfs/dbraw/zinc/35/72/04/1084357204.db2.gz XRZAOJPMFOWOPP-UHFFFAOYSA-N -1 3 369.446 4.124 20 0 FIADHM O=C(CCc1nc2cc(Cl)ccc2s1)Nc1cccc([O-])c1F ZINC000536465265 1084364350 /nfs/dbraw/zinc/36/43/50/1084364350.db2.gz ZDLHENQIJRBVBR-UHFFFAOYSA-N -1 3 350.802 4.366 20 0 FIADHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc([O-])ccc1Cl ZINC000431773587 1084500899 /nfs/dbraw/zinc/50/08/99/1084500899.db2.gz WCAYROQENJDFAH-INIZCTEOSA-N -1 3 367.779 4.454 20 0 FIADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(Cl)c2ccccc21 ZINC000472197823 1084781622 /nfs/dbraw/zinc/78/16/22/1084781622.db2.gz ZUBJLZMTVUMGKA-LBPRGKRZSA-N -1 3 355.825 4.154 20 0 FIADHM O=C([O-])CCN(CCc1ccc(Cl)cc1)Cc1cccc(F)c1F ZINC000582365214 1084909853 /nfs/dbraw/zinc/90/98/53/1084909853.db2.gz MBRZEDROGXPDFC-UHFFFAOYSA-N -1 3 353.796 4.138 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cnccc3C(C)(C)C)nc2)n1 ZINC000413510371 1085295614 /nfs/dbraw/zinc/29/56/14/1085295614.db2.gz IQECLSKOFQNKPZ-UHFFFAOYSA-N -1 3 363.465 4.111 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2[nH]c3ccccc3c2Br)c1[O-] ZINC000564686546 1085375420 /nfs/dbraw/zinc/37/54/20/1085375420.db2.gz FAKRUKGBTGRRFO-UHFFFAOYSA-N -1 3 373.206 4.091 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)[nH]c4ccccc43)c2)n1 ZINC000049303806 1085443579 /nfs/dbraw/zinc/44/35/79/1085443579.db2.gz MUWZFWBJXPSVPJ-UHFFFAOYSA-N -1 3 372.428 4.041 20 0 FIADHM O=C([O-])c1cccc2c1CCN(CCCOc1cccc3ccccc31)C2 ZINC000582797722 1085733222 /nfs/dbraw/zinc/73/32/22/1085733222.db2.gz XCOODEQCYLHDLL-UHFFFAOYSA-N -1 3 361.441 4.365 20 0 FIADHM O=C(CCc1cc(F)ccc1F)Nc1cc(Br)ccc1[O-] ZINC000531394178 1085804993 /nfs/dbraw/zinc/80/49/93/1085804993.db2.gz YWJGRZSRCYXOHR-UHFFFAOYSA-N -1 3 356.166 4.004 20 0 FIADHM CC(C)(C)C1CCN(Cc2c(Br)cccc2C(=O)[O-])CC1 ZINC000652405426 1086011617 /nfs/dbraw/zinc/01/16/17/1086011617.db2.gz NCGFQCJRLILDGB-UHFFFAOYSA-N -1 3 354.288 4.405 20 0 FIADHM Cc1oc(CN(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000652432015 1086040560 /nfs/dbraw/zinc/04/05/60/1086040560.db2.gz BJSSYYCPKOKFEG-JTQLQIEISA-N -1 3 372.248 4.492 20 0 FIADHM COc1ccc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)c(OC)c1 ZINC000431520385 1086092347 /nfs/dbraw/zinc/09/23/47/1086092347.db2.gz OSDPICQELASFDS-QGZVFWFLSA-N -1 3 361.825 4.040 20 0 FIADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000652498781 1086134613 /nfs/dbraw/zinc/13/46/13/1086134613.db2.gz SMRRVLUVKSWGBC-CYBMUJFWSA-N -1 3 362.857 4.318 20 0 FIADHM COc1cccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1Cl ZINC000662204711 1086308306 /nfs/dbraw/zinc/30/83/06/1086308306.db2.gz KABCAGKNVBLFDO-UHFFFAOYSA-N -1 3 359.853 4.426 20 0 FIADHM CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000663260480 1086339820 /nfs/dbraw/zinc/33/98/20/1086339820.db2.gz AFUIZBWQJJPDQB-INIZCTEOSA-N -1 3 353.340 4.020 20 0 FIADHM COc1cc(Cl)c(CNC[C@H](CCC(=O)[O-])C(F)(F)F)cc1Cl ZINC000663260975 1086343921 /nfs/dbraw/zinc/34/39/21/1086343921.db2.gz FVMISXJBEMOUCF-VIFPVBQESA-N -1 3 374.186 4.135 20 0 FIADHM CCN(Cc1nc2cc(Cl)ccc2n1Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000662217514 1086345160 /nfs/dbraw/zinc/34/51/60/1086345160.db2.gz VDYWFOQCAJZITQ-AWEZNQCLSA-N -1 3 371.868 4.033 20 0 FIADHM CCOC(=O)N(C)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065619261 1086398292 /nfs/dbraw/zinc/39/82/92/1086398292.db2.gz XCRSABRGPWLWBZ-UHFFFAOYSA-N -1 3 368.433 4.116 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000432309375 1086459901 /nfs/dbraw/zinc/45/99/01/1086459901.db2.gz ZKPRRZNKUZUHIY-ZDUSSCGKSA-N -1 3 363.426 4.071 20 0 FIADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1C ZINC001211696093 1086586842 /nfs/dbraw/zinc/58/68/42/1086586842.db2.gz ACFRJBOPTQQLRU-IJLUTSLNSA-N -1 3 367.408 4.195 20 0 FIADHM C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(C)(C)c1ccccc1 ZINC001143528644 1086680390 /nfs/dbraw/zinc/68/03/90/1086680390.db2.gz RXNKHEDMHJITJL-ZDUSSCGKSA-N -1 3 368.864 4.278 20 0 FIADHM CCOC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)c(Br)c1 ZINC001213384265 1086681442 /nfs/dbraw/zinc/68/14/42/1086681442.db2.gz BHIDHOBAOPBAPK-UHFFFAOYSA-N -1 3 372.165 4.353 20 0 FIADHM C[C@]12CN(Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000583452355 1086693790 /nfs/dbraw/zinc/69/37/90/1086693790.db2.gz DVJRCSYMZIKASP-VWFIUDSGSA-N -1 3 368.502 4.376 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC[C@@]12CCCOC2 ZINC001648940852 1086718839 /nfs/dbraw/zinc/71/88/39/1086718839.db2.gz FUXDIZSTUUEWJI-QHCPKHFHSA-N -1 3 365.473 4.158 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000006315509 1086753217 /nfs/dbraw/zinc/75/32/17/1086753217.db2.gz IXWJUGVHTKUMLF-UHFFFAOYSA-N -1 3 359.419 4.201 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1nc(Cl)ccc1Cl ZINC000125988791 1086791198 /nfs/dbraw/zinc/79/11/98/1086791198.db2.gz VICYKWWNMVAQKO-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM COc1ccc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)c(C)c1OC ZINC000583854340 1086995373 /nfs/dbraw/zinc/99/53/73/1086995373.db2.gz KEIBFNAYNYDZQB-AWEZNQCLSA-N -1 3 365.429 4.362 20 0 FIADHM O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccccc1[O-] ZINC000030016780 1087152276 /nfs/dbraw/zinc/15/22/76/1087152276.db2.gz YEZAGRFUCFVPGR-RKDXNWHRSA-N -1 3 355.278 4.032 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cccc(OC(F)(F)F)c1 ZINC000022957389 1087170351 /nfs/dbraw/zinc/17/03/51/1087170351.db2.gz JYVXQYSANGTVOC-UHFFFAOYSA-N -1 3 369.723 4.179 20 0 FIADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nc(C3CCCCC3)cs2)C1 ZINC000584118895 1087181507 /nfs/dbraw/zinc/18/15/07/1087181507.db2.gz PHRFBBXLJXNXKW-OAQYLSRUSA-N -1 3 370.518 4.419 20 0 FIADHM CN(Cc1ccc(C(=O)[O-])cc1Br)[C@H]1CCc2ccccc2C1 ZINC000584177917 1087207287 /nfs/dbraw/zinc/20/72/87/1087207287.db2.gz SENIOBXMPUZRBX-KRWDZBQOSA-N -1 3 374.278 4.137 20 0 FIADHM Cc1nc(-c2ccc(CNC(=O)c3cc([O-])ccc3Cl)cc2)cs1 ZINC000584320412 1087264872 /nfs/dbraw/zinc/26/48/72/1087264872.db2.gz RZHBIIZVISJTMI-UHFFFAOYSA-N -1 3 358.850 4.408 20 0 FIADHM S=c1[n-]nc(CCC2CCCC2)n1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000176824621 1087281437 /nfs/dbraw/zinc/28/14/37/1087281437.db2.gz AAAJKNXOIZXFCU-JKSUJKDBSA-N -1 3 366.600 4.381 20 0 FIADHM C[C@@H](c1ccccn1)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094063051 1087462690 /nfs/dbraw/zinc/46/26/90/1087462690.db2.gz UYGLOMKTOUUYOB-KRWDZBQOSA-N -1 3 360.457 4.406 20 0 FIADHM Cc1ncc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000171260639 1087521252 /nfs/dbraw/zinc/52/12/52/1087521252.db2.gz JYKJVGFFLDPDES-UHFFFAOYSA-N -1 3 352.459 4.020 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000612045698 1087719126 /nfs/dbraw/zinc/71/91/26/1087719126.db2.gz WOMGJZVSURJFTK-GFCCVEGCSA-N -1 3 361.488 4.053 20 0 FIADHM O=C([O-])[C@@H]1CC[C@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000424613918 1088092946 /nfs/dbraw/zinc/09/29/46/1088092946.db2.gz HEKGWZPRXHXGDE-YPMHNXCESA-N -1 3 370.396 4.172 20 0 FIADHM CC(C)(c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1)C(F)(F)F ZINC000505091490 1088127689 /nfs/dbraw/zinc/12/76/89/1088127689.db2.gz XTUPTLQVDGYXRW-UHFFFAOYSA-N -1 3 366.318 4.189 20 0 FIADHM Cc1ccc(C2CC2)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000424739074 1088212869 /nfs/dbraw/zinc/21/28/69/1088212869.db2.gz NLZHTKXIMGBZRF-UHFFFAOYSA-N -1 3 360.251 4.271 20 0 FIADHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c1F ZINC000327827238 1088555481 /nfs/dbraw/zinc/55/54/81/1088555481.db2.gz FCZSEEBIRSNDGC-UHFFFAOYSA-N -1 3 359.382 4.107 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(C(F)(F)F)cn2)no1)c1ccccc1Cl ZINC001211647585 1088778793 /nfs/dbraw/zinc/77/87/93/1088778793.db2.gz XAAAPEJZHKVVJZ-UHFFFAOYSA-N -1 3 367.714 4.229 20 0 FIADHM CCOc1ccccc1CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000514132781 1088782109 /nfs/dbraw/zinc/78/21/09/1088782109.db2.gz PFRKXGZBXRYSFE-UHFFFAOYSA-N -1 3 363.417 4.112 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(c3cccc(F)c3F)CC2)c1 ZINC000613603779 1088848169 /nfs/dbraw/zinc/84/81/69/1088848169.db2.gz XMAVZPUDLSWARZ-UHFFFAOYSA-N -1 3 363.429 4.412 20 0 FIADHM CN(CC1(c2ccccc2)CC1)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659787443 1088860762 /nfs/dbraw/zinc/86/07/62/1088860762.db2.gz KPMCJNLTAMTONC-QGZVFWFLSA-N -1 3 374.278 4.238 20 0 FIADHM O=C([O-])[C@]12CN(Cc3csc(CCc4ccccc4)n3)C[C@H]1CCCC2 ZINC000659800096 1088882848 /nfs/dbraw/zinc/88/28/48/1088882848.db2.gz SRSINWQIPXGHRR-DYESRHJHSA-N -1 3 370.518 4.005 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Br)cc1F)N1CCC[C@@H](C2CCC2)C1 ZINC000659801911 1088886415 /nfs/dbraw/zinc/88/64/15/1088886415.db2.gz MMGOGXUPKLUQAH-MLGOLLRUSA-N -1 3 370.262 4.226 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)C3CCC(F)CC3)cc2)cc(=O)[n-]1 ZINC000664430681 1088893014 /nfs/dbraw/zinc/89/30/14/1088893014.db2.gz TUFYYURSTXJKLQ-YGONEPDPSA-N -1 3 372.444 4.196 20 0 FIADHM CCCc1occc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000280961086 1088903192 /nfs/dbraw/zinc/90/31/92/1088903192.db2.gz HCOFIHAVBRTWEH-UHFFFAOYSA-N -1 3 351.406 4.209 20 0 FIADHM C[C@H](CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nccs1 ZINC000182487082 1088918847 /nfs/dbraw/zinc/91/88/47/1088918847.db2.gz FJTNROOBFKVPBB-OAHLLOKOSA-N -1 3 366.486 4.315 20 0 FIADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)c(=O)[n-]1 ZINC000377197121 1089056063 /nfs/dbraw/zinc/05/60/63/1089056063.db2.gz KSCRXUSMXSEJLN-GOSISDBHSA-N -1 3 373.884 4.139 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(Cc3ccc(OC)cc3)CC2)c1 ZINC000505576626 1089163996 /nfs/dbraw/zinc/16/39/96/1089163996.db2.gz YYTYFTBXSYNKNG-UHFFFAOYSA-N -1 3 353.462 4.058 20 0 FIADHM CCc1onc(C)c1C(=O)[N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000514596670 1089254703 /nfs/dbraw/zinc/25/47/03/1089254703.db2.gz YAIWYCFWUFHSCF-UHFFFAOYSA-N -1 3 372.494 4.117 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)c3c(c2)OCCO3)CC)n1 ZINC000435341190 1089548096 /nfs/dbraw/zinc/54/80/96/1089548096.db2.gz UUZPWAOHZAVWTJ-JYRVWZFOSA-N -1 3 360.841 4.098 20 0 FIADHM O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000514952116 1089664239 /nfs/dbraw/zinc/66/42/39/1089664239.db2.gz ORWHFVUNIGZQGL-GOEBONIOSA-N -1 3 371.868 4.169 20 0 FIADHM O=c1cc(CSCc2ncc(-c3ccc(F)cc3)o2)nc(C2CC2)[n-]1 ZINC000515005228 1089706610 /nfs/dbraw/zinc/70/66/10/1089706610.db2.gz GRUBXNNCIPGCKF-UHFFFAOYSA-N -1 3 357.410 4.287 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000435571681 1089763421 /nfs/dbraw/zinc/76/34/21/1089763421.db2.gz XVLCIEQOIZEHNS-UHFFFAOYSA-N -1 3 360.816 4.184 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C ZINC000435721339 1089908943 /nfs/dbraw/zinc/90/89/43/1089908943.db2.gz HYRGFDAZPBIYND-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[S@](=O)c1ccc([O-])cc1 ZINC000435721397 1089909132 /nfs/dbraw/zinc/90/91/32/1089909132.db2.gz CFTMYBLEAXOQEP-VWLOTQADSA-N -1 3 374.893 4.215 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C ZINC000435738042 1089917709 /nfs/dbraw/zinc/91/77/09/1089917709.db2.gz ODGMWUJHMZYOLR-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4ccsc4)nc3C)n[n-]2)o1 ZINC000181875098 1089955730 /nfs/dbraw/zinc/95/57/30/1089955730.db2.gz HEJIDTRZNAWJNZ-UHFFFAOYSA-N -1 3 365.418 4.057 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)cc2cccnc21 ZINC000182120628 1090053687 /nfs/dbraw/zinc/05/36/87/1090053687.db2.gz BRZSEZZTIXEBQE-UHFFFAOYSA-N -1 3 356.407 4.206 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC=C(c2cccc3ccccc32)C1 ZINC000378597667 1090438424 /nfs/dbraw/zinc/43/84/24/1090438424.db2.gz LCFYXWSVEWBYEX-UHFFFAOYSA-N -1 3 366.420 4.221 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000511590520 1090579253 /nfs/dbraw/zinc/57/92/53/1090579253.db2.gz CDZNWBGHIRKNGZ-BZNIZROVSA-N -1 3 367.371 4.191 20 0 FIADHM CSCc1cnc(CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000417548146 1090921633 /nfs/dbraw/zinc/92/16/33/1090921633.db2.gz QAMZJDQIXSFAMZ-LBPRGKRZSA-N -1 3 370.927 4.008 20 0 FIADHM Cc1cc(Br)c(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417556961 1090924479 /nfs/dbraw/zinc/92/44/79/1090924479.db2.gz AITCXSCCVNWCNT-IAQYHMDHSA-N -1 3 368.296 4.371 20 0 FIADHM Cc1ccccc1C[C@H](CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417566948 1090928937 /nfs/dbraw/zinc/92/89/37/1090928937.db2.gz NVLQAGJAURVPNL-CYBMUJFWSA-N -1 3 358.290 4.396 20 0 FIADHM C[S@](=O)c1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000417577599 1090930477 /nfs/dbraw/zinc/93/04/77/1090930477.db2.gz WWNRWUOZTBAZNR-BCHFMIIMSA-N -1 3 373.518 4.027 20 0 FIADHM COc1cc(-c2ccccc2)ccc1CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000417582761 1090931691 /nfs/dbraw/zinc/93/16/91/1090931691.db2.gz JGGZLEXDWNXFCQ-QRWLVFNGSA-N -1 3 371.477 4.109 20 0 FIADHM COc1cc(F)cc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000417595916 1090935231 /nfs/dbraw/zinc/93/52/31/1090935231.db2.gz YNXFSZSBPZGOLV-INIZCTEOSA-N -1 3 371.330 4.159 20 0 FIADHM O=C([O-])C[C@H](CNCc1ccc(-c2ccccc2)cc1F)C(F)(F)F ZINC000417623597 1090942673 /nfs/dbraw/zinc/94/26/73/1090942673.db2.gz JWYBLKXGMCOJFI-OAHLLOKOSA-N -1 3 355.331 4.236 20 0 FIADHM O=C([O-])CSCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000417615206 1090944525 /nfs/dbraw/zinc/94/45/25/1090944525.db2.gz FXDVKDZWSGYPOI-UHFFFAOYSA-N -1 3 360.262 4.161 20 0 FIADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(OC(F)F)c(Cl)c2)c2ccccc21 ZINC000417630032 1090945106 /nfs/dbraw/zinc/94/51/06/1090945106.db2.gz QTOPQDLAMGWSDP-DZGCQCFKSA-N -1 3 367.779 4.344 20 0 FIADHM CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1OCC ZINC000417666884 1090957739 /nfs/dbraw/zinc/95/77/39/1090957739.db2.gz GYLITICBJXHLFQ-UHFFFAOYSA-N -1 3 357.450 4.171 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3cc(C4CC4)nc4ccc(C)cc43)n[n-]2)o1 ZINC000497744096 1091116846 /nfs/dbraw/zinc/11/68/46/1091116846.db2.gz XCAZQXLWRWRHOH-UHFFFAOYSA-N -1 3 373.416 4.359 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=Cc3ncccc3C)nc(=O)c2c1C ZINC000759801158 1091131106 /nfs/dbraw/zinc/13/11/06/1091131106.db2.gz UZRUEYDSWRWFSS-QDZRJHCZSA-N -1 3 369.446 4.035 20 0 FIADHM Cc1nc([C@H](C)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000582122055 1091269254 /nfs/dbraw/zinc/26/92/54/1091269254.db2.gz XJNXASAGQSSVQB-RBOXIYTFSA-N -1 3 362.857 4.407 20 0 FIADHM Cc1ccc(CNCc2c(F)ccc([O-])c2F)c(OCC(F)(F)F)c1 ZINC000511674427 1091524898 /nfs/dbraw/zinc/52/48/98/1091524898.db2.gz YCSXYPLWTDZYOE-UHFFFAOYSA-N -1 3 361.310 4.210 20 0 FIADHM Cc1ccc([O-])c(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000473073171 1091657824 /nfs/dbraw/zinc/65/78/24/1091657824.db2.gz OOZZAZCSEWBLFG-INIZCTEOSA-N -1 3 368.424 4.405 20 0 FIADHM COC(=O)c1cnc(SCC/C=C/c2ccc(Br)cc2)[n-]1 ZINC000432664278 1092040667 /nfs/dbraw/zinc/04/06/67/1092040667.db2.gz FKWIYPJPEUBTSQ-DUXPYHPUSA-N -1 3 367.268 4.154 20 0 FIADHM CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)cc(Cl)c2)[n-]c1=O ZINC000432696551 1092125715 /nfs/dbraw/zinc/12/57/15/1092125715.db2.gz SZNBNOPWYAGNRS-WTKPLQERSA-N -1 3 353.205 4.226 20 0 FIADHM O=c1ccnc(C(=Cc2cnc(-c3ccncc3)s2)Cc2ccccc2)[n-]1 ZINC000432708389 1092162066 /nfs/dbraw/zinc/16/20/66/1092162066.db2.gz GOVIVXNGPAIGBC-LGMDPLHJSA-N -1 3 372.453 4.484 20 0 FIADHM C[C@@H]1CC[C@@](CNCc2csc(-c3cccs3)n2)(CC(=O)[O-])C1 ZINC000426638933 1092386496 /nfs/dbraw/zinc/38/64/96/1092386496.db2.gz TWPUUOOVWCHHEO-PXAZEXFGSA-N -1 3 350.509 4.242 20 0 FIADHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1Br ZINC000520973970 1092396772 /nfs/dbraw/zinc/39/67/72/1092396772.db2.gz KYZNVWVFEPGXRT-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM O=C([O-])C[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccsc1 ZINC000426694369 1092540112 /nfs/dbraw/zinc/54/01/12/1092540112.db2.gz CEQRRIAGAXCMFG-CYBMUJFWSA-N -1 3 350.490 4.239 20 0 FIADHM CCC[C@H]1CCc2nc(NC(=O)c3c[n-]c4ccccc4c3=O)sc2C1 ZINC000500797520 1092592753 /nfs/dbraw/zinc/59/27/53/1092592753.db2.gz CBXYZTBURNCYHV-LBPRGKRZSA-N -1 3 367.474 4.142 20 0 FIADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000508391682 1092625759 /nfs/dbraw/zinc/62/57/59/1092625759.db2.gz LWKKOMIOHYFFQG-UHFFFAOYSA-N -1 3 356.451 4.494 20 0 FIADHM O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000521463581 1092708038 /nfs/dbraw/zinc/70/80/38/1092708038.db2.gz FWAPTFYOKQTGLU-UHFFFAOYSA-N -1 3 373.869 4.031 20 0 FIADHM O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000521463581 1092708046 /nfs/dbraw/zinc/70/80/46/1092708046.db2.gz FWAPTFYOKQTGLU-UHFFFAOYSA-N -1 3 373.869 4.031 20 0 FIADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3F)cc2)co1 ZINC000110096749 1092753522 /nfs/dbraw/zinc/75/35/22/1092753522.db2.gz SWBKPIAEFQZVLU-UHFFFAOYSA-N -1 3 366.801 4.243 20 0 FIADHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)cc1 ZINC000521729200 1092899298 /nfs/dbraw/zinc/89/92/98/1092899298.db2.gz MOCJTVGEISVALV-UHFFFAOYSA-N -1 3 361.507 4.265 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1C ZINC000512569799 1092944312 /nfs/dbraw/zinc/94/43/12/1092944312.db2.gz VVZBRDLRNDQGBS-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM Cc1c([O-])ccc2c(CN[C@@H](c3ccco3)c3ccccc3)cc(=O)oc12 ZINC000067133054 1093074091 /nfs/dbraw/zinc/07/40/91/1093074091.db2.gz GKQNKRZYFAHMFX-OAQYLSRUSA-N -1 3 361.397 4.279 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000191175792 1093091923 /nfs/dbraw/zinc/09/19/23/1093091923.db2.gz FNSTYZBHZDYJTJ-UHFFFAOYSA-N -1 3 358.246 4.305 20 0 FIADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000443418391 1093114082 /nfs/dbraw/zinc/11/40/82/1093114082.db2.gz OUZVCABEUNNJNR-UHFFFAOYSA-N -1 3 352.887 4.132 20 0 FIADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(C)c3F)c2)n1 ZINC000443419771 1093114818 /nfs/dbraw/zinc/11/48/18/1093114818.db2.gz SFTGZLSYEJJJAU-UHFFFAOYSA-N -1 3 362.451 4.367 20 0 FIADHM [O-]c1cccc(CNCc2ccc(OCc3ccccn3)cc2)c1Cl ZINC000645146708 1093235940 /nfs/dbraw/zinc/23/59/40/1093235940.db2.gz FMGDMFSQSUTOOL-UHFFFAOYSA-N -1 3 354.837 4.309 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C)cc(C)c2)[nH][n-]1 ZINC000512858364 1093458560 /nfs/dbraw/zinc/45/85/60/1093458560.db2.gz YTVPPGNBIUOFBP-UHFFFAOYSA-N -1 3 355.825 4.030 20 0 FIADHM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC000512880832 1093499681 /nfs/dbraw/zinc/49/96/81/1093499681.db2.gz XRQPUTRJLLIWQS-GOSISDBHSA-N -1 3 351.780 4.204 20 0 FIADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1nnc(-c2ccccc2)o1 ZINC000026424369 1093532998 /nfs/dbraw/zinc/53/29/98/1093532998.db2.gz CKTCMPNRMAKTRI-MRVPVSSYSA-N -1 3 352.177 4.290 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](Cc4ccccc4)[C@H]3C)nc2)n1 ZINC000474179564 1093553778 /nfs/dbraw/zinc/55/37/78/1093553778.db2.gz BDRCTTKNOSGAJC-AEFFLSMTSA-N -1 3 374.488 4.264 20 0 FIADHM CCOC(=O)c1c(NC(=O)c2cc([O-])ccc2Cl)sc(C)c1CC ZINC000433345579 1093600061 /nfs/dbraw/zinc/60/00/61/1093600061.db2.gz YRIXXZCYEAPCHH-UHFFFAOYSA-N -1 3 367.854 4.407 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cc2cccc(F)c2o1 ZINC000474381943 1093726716 /nfs/dbraw/zinc/72/67/16/1093726716.db2.gz OIXDMHIUSUDHFB-MRVPVSSYSA-N -1 3 373.327 4.029 20 0 FIADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(C(=O)OC)ccc1F ZINC000474420383 1093752752 /nfs/dbraw/zinc/75/27/52/1093752752.db2.gz CWGAGCHPGKUNIW-UHFFFAOYSA-N -1 3 368.364 4.082 20 0 FIADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1ccc(OC)cc1 ZINC000474493753 1093836296 /nfs/dbraw/zinc/83/62/96/1093836296.db2.gz IBTSEPJADOFEEL-UHFFFAOYSA-N -1 3 371.824 4.055 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)c1ccco1 ZINC001211829813 1093877876 /nfs/dbraw/zinc/87/78/76/1093877876.db2.gz SQOXOPKOIOPQDG-JKSUJKDBSA-N -1 3 353.871 4.328 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)cc2)co1 ZINC000728962337 1093909554 /nfs/dbraw/zinc/90/95/54/1093909554.db2.gz PBOQIAHIOFXSSM-UHFFFAOYSA-N -1 3 364.401 4.321 20 0 FIADHM CC(C)c1ccc([C@H](C[N-]C(=O)C(F)(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000728983556 1093914270 /nfs/dbraw/zinc/91/42/70/1093914270.db2.gz LTKGRFRVEMPOOY-AWEZNQCLSA-N -1 3 374.403 4.054 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1C ZINC000513432176 1094119910 /nfs/dbraw/zinc/11/99/10/1094119910.db2.gz ORSCQCDIINELSR-UHFFFAOYSA-N -1 3 371.405 4.023 20 0 FIADHM Cc1cc(C(F)(F)C(=O)[N-]C2(c3cccc(F)c3)CC2)cnc1Cl ZINC001126392109 1094135982 /nfs/dbraw/zinc/13/59/82/1094135982.db2.gz HGLLQMRRBLGGOY-UHFFFAOYSA-N -1 3 354.759 4.080 20 0 FIADHM CCC(CC)NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210261 1094315649 /nfs/dbraw/zinc/31/56/49/1094315649.db2.gz GWEUOHDWPUTNEW-SNVBAGLBSA-N -1 3 368.503 4.206 20 0 FIADHM CO[C@@H](C)c1nc(CSCc2cc(=O)[n-]c(-c3ccccc3)n2)cs1 ZINC000419418937 1094410346 /nfs/dbraw/zinc/41/03/46/1094410346.db2.gz LJHVUHMWWZXDBQ-LBPRGKRZSA-N -1 3 373.503 4.447 20 0 FIADHM CCc1cccc(CC)c1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419597306 1094527910 /nfs/dbraw/zinc/52/79/10/1094527910.db2.gz AAKCJBVVEAHDIT-UHFFFAOYSA-N -1 3 371.506 4.056 20 0 FIADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc2c(c1)CCCC2 ZINC000102694367 1094653692 /nfs/dbraw/zinc/65/36/92/1094653692.db2.gz MWCJACHXMRCQFZ-AWEZNQCLSA-N -1 3 373.456 4.399 20 0 FIADHM Cc1cc(C(=O)NC2CCCC2)ccc1NCc1c(F)ccc([O-])c1F ZINC000414467066 1095046540 /nfs/dbraw/zinc/04/65/40/1095046540.db2.gz VXBSUDMAHPJZSJ-UHFFFAOYSA-N -1 3 360.404 4.263 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)cc1C ZINC000522596342 1095172044 /nfs/dbraw/zinc/17/20/44/1095172044.db2.gz CFFOIFMTXVMQFO-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl ZINC000421162102 1095393179 /nfs/dbraw/zinc/39/31/79/1095393179.db2.gz YRPNISBDLKOBSE-NSHDSACASA-N -1 3 355.834 4.080 20 0 FIADHM Cn1ncc2c1ncnc2[N-]c1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000502739342 1095757056 /nfs/dbraw/zinc/75/70/56/1095757056.db2.gz JMYLXZLUUCYZJJ-UHFFFAOYSA-N -1 3 362.462 4.109 20 0 FIADHM CC(C)(C(=O)Nc1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000522878027 1095832369 /nfs/dbraw/zinc/83/23/69/1095832369.db2.gz MUVOVLVNOOXGKF-UHFFFAOYSA-N -1 3 352.203 4.210 20 0 FIADHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000444301025 1095932569 /nfs/dbraw/zinc/93/25/69/1095932569.db2.gz CCUHNEYTRATZHN-UHFFFAOYSA-N -1 3 364.279 4.198 20 0 FIADHM O=S(=O)([N-]c1ccccc1Br)c1cc(F)ccc1Cl ZINC000103057682 1095944791 /nfs/dbraw/zinc/94/47/91/1095944791.db2.gz SUHLWFBMEYHYRR-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503294777 1096351091 /nfs/dbraw/zinc/35/10/91/1096351091.db2.gz YLHHDQPXWHURCT-LLVKDONJSA-N -1 3 358.442 4.089 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000469209680 1096520819 /nfs/dbraw/zinc/52/08/19/1096520819.db2.gz YXPZMFXPMKLKJR-UHFFFAOYSA-N -1 3 372.421 4.322 20 0 FIADHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000504150422 1096687931 /nfs/dbraw/zinc/68/79/31/1096687931.db2.gz IORWWKRFBZLTBU-GTNSWQLSSA-N -1 3 366.244 4.301 20 0 FIADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000515617985 1098768893 /nfs/dbraw/zinc/76/88/93/1098768893.db2.gz KRERYMIBJFHHNH-UHFFFAOYSA-N -1 3 355.406 4.191 20 0 FIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC000436150763 1098789847 /nfs/dbraw/zinc/78/98/47/1098789847.db2.gz GQDPBAHCIKTMFQ-UHFFFAOYSA-N -1 3 361.797 4.206 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnn(-c2ccccc2)c1C1CC1 ZINC000533159554 1098813207 /nfs/dbraw/zinc/81/32/07/1098813207.db2.gz IQUPLXXWEXKTCF-UHFFFAOYSA-N -1 3 353.809 4.361 20 0 FIADHM CCOc1cccc([C@H](C)NCc2cccc([O-])c2Br)c1 ZINC000459385838 1099065241 /nfs/dbraw/zinc/06/52/41/1099065241.db2.gz GLGHPHBAIHPBDU-LBPRGKRZSA-N -1 3 350.256 4.404 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c([O-])c1 ZINC000436535939 1099090783 /nfs/dbraw/zinc/09/07/83/1099090783.db2.gz LXSKNEKSTCKLDX-KRWDZBQOSA-N -1 3 369.436 4.390 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1[O-] ZINC000436554813 1099100378 /nfs/dbraw/zinc/10/03/78/1099100378.db2.gz IUTDLYNNANKTPZ-UHFFFAOYSA-N -1 3 352.390 4.286 20 0 FIADHM Cc1nc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])cs1 ZINC000436536094 1099101202 /nfs/dbraw/zinc/10/12/02/1099101202.db2.gz CRFWRNMWAFMTKT-UHFFFAOYSA-N -1 3 354.431 4.222 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(OCCc3ccccc3)CC2)c([O-])c1 ZINC000436541079 1099106878 /nfs/dbraw/zinc/10/68/78/1099106878.db2.gz VTCHWXRZEKNESL-UHFFFAOYSA-N -1 3 367.489 4.380 20 0 FIADHM Cc1cc([C@H]2CCCN2C(=O)c2cc(Oc3ccccc3)ccc2[O-])on1 ZINC000436566247 1099118129 /nfs/dbraw/zinc/11/81/29/1099118129.db2.gz WXROSGVAOHYAMM-GOSISDBHSA-N -1 3 364.401 4.458 20 0 FIADHM CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1OC(F)F ZINC000436568552 1099119730 /nfs/dbraw/zinc/11/97/30/1099119730.db2.gz YENNTJXDAAPPBW-OAHLLOKOSA-N -1 3 363.360 4.077 20 0 FIADHM CCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1-c1ccccc1Cl ZINC000436593023 1099125231 /nfs/dbraw/zinc/12/52/31/1099125231.db2.gz BNMWRVLMFCGNBF-UHFFFAOYSA-N -1 3 371.824 4.055 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccccc3F)s2)cc1[O-] ZINC000436597329 1099128682 /nfs/dbraw/zinc/12/86/82/1099128682.db2.gz UVQGHFXQXVGBNX-UHFFFAOYSA-N -1 3 370.405 4.034 20 0 FIADHM Cc1nc2ccccc2n1CCc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436581464 1099130819 /nfs/dbraw/zinc/13/08/19/1099130819.db2.gz FKRKGPCKTGXFEX-UHFFFAOYSA-N -1 3 362.433 4.466 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000436584772 1099133507 /nfs/dbraw/zinc/13/35/07/1099133507.db2.gz QHSHYJDPXYBOHB-JOCHJYFZSA-N -1 3 351.446 4.177 20 0 FIADHM Cc1ncc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])s1 ZINC000436617478 1099151649 /nfs/dbraw/zinc/15/16/49/1099151649.db2.gz IOZMKRKKYKHUBF-UHFFFAOYSA-N -1 3 366.486 4.215 20 0 FIADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCc2cc(F)ccc21 ZINC000436673508 1099203188 /nfs/dbraw/zinc/20/31/88/1099203188.db2.gz OVTLAPBIOGJNCO-UHFFFAOYSA-N -1 3 363.388 4.313 20 0 FIADHM CCOC1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436674101 1099204349 /nfs/dbraw/zinc/20/43/49/1099204349.db2.gz HCHNUJFLFRZLMX-UHFFFAOYSA-N -1 3 353.462 4.014 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c([O-])c1 ZINC000436678206 1099213507 /nfs/dbraw/zinc/21/35/07/1099213507.db2.gz ZOJLINGNCFKJHN-UHFFFAOYSA-N -1 3 366.339 4.098 20 0 FIADHM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618397 1099215236 /nfs/dbraw/zinc/21/52/36/1099215236.db2.gz HSFKNKCGZGQJII-QGZVFWFLSA-N -1 3 374.868 4.137 20 0 FIADHM CC[C@H](C)Oc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000436688457 1099221503 /nfs/dbraw/zinc/22/15/03/1099221503.db2.gz LAWFVSRRJRKQIZ-LBPRGKRZSA-N -1 3 370.405 4.304 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3cccc(Br)c3C)no2)c1 ZINC000436687266 1099221594 /nfs/dbraw/zinc/22/15/94/1099221594.db2.gz KLAFOHFOLLRWQR-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM CCOC1CC(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000436708418 1099226529 /nfs/dbraw/zinc/22/65/29/1099226529.db2.gz UXNWWBCCNSQZLR-UHFFFAOYSA-N -1 3 368.458 4.423 20 0 FIADHM COc1cc(-c2nc(-c3ccc4nc(C)sc4c3)no2)cc(OC)c1[O-] ZINC000436692779 1099226623 /nfs/dbraw/zinc/22/66/23/1099226623.db2.gz ZXVODAWSLSJHAV-UHFFFAOYSA-N -1 3 369.402 4.045 20 0 FIADHM CCOc1ccc(N(CC)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436762365 1099279935 /nfs/dbraw/zinc/27/99/35/1099279935.db2.gz RGNFCBFKVSKIIN-UHFFFAOYSA-N -1 3 355.434 4.171 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC(COc2ccccc2)C1 ZINC000436749069 1099280446 /nfs/dbraw/zinc/28/04/46/1099280446.db2.gz RWKNCRCRBOTKIU-UHFFFAOYSA-N -1 3 373.452 4.134 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000436766076 1099306578 /nfs/dbraw/zinc/30/65/78/1099306578.db2.gz ZQJFKICIJCEVGK-UHFFFAOYSA-N -1 3 365.351 4.311 20 0 FIADHM CC(C)c1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c([O-])c1 ZINC000436792357 1099325801 /nfs/dbraw/zinc/32/58/01/1099325801.db2.gz NCIUZFNVCAHRKW-INIZCTEOSA-N -1 3 359.491 4.399 20 0 FIADHM COC[C@H]1CCCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436819923 1099332668 /nfs/dbraw/zinc/33/26/68/1099332668.db2.gz ZVBVJUKPISFOGG-INIZCTEOSA-N -1 3 355.434 4.073 20 0 FIADHM CCc1ccc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)c([O-])c1 ZINC000436853758 1099355964 /nfs/dbraw/zinc/35/59/64/1099355964.db2.gz SFGZQLDVZHSJQH-UHFFFAOYSA-N -1 3 374.400 4.178 20 0 FIADHM COc1ccc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c([O-])c1 ZINC000436846967 1099365918 /nfs/dbraw/zinc/36/59/18/1099365918.db2.gz CZGKGRFZUIJMHO-ZDUSSCGKSA-N -1 3 365.351 4.049 20 0 FIADHM COc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2OC)c([O-])c1 ZINC000436863270 1099374380 /nfs/dbraw/zinc/37/43/80/1099374380.db2.gz IFGQYJKQWMACHS-RDTXWAMCSA-N -1 3 355.434 4.023 20 0 FIADHM CC(C)(C)OC(=O)NCc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212011154 1099377005 /nfs/dbraw/zinc/37/70/05/1099377005.db2.gz VJAXSPWBDTYPCC-UHFFFAOYSA-N -1 3 350.365 4.439 20 0 FIADHM O=C(c1ccccc1[O-])N1CCSC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000436877761 1099394767 /nfs/dbraw/zinc/39/47/67/1099394767.db2.gz QSOFOZLFCKJLLQ-HNNXBMFYSA-N -1 3 367.392 4.341 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000436892761 1099410684 /nfs/dbraw/zinc/41/06/84/1099410684.db2.gz NBECZWBPPAQZKN-INIZCTEOSA-N -1 3 363.379 4.398 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000436905126 1099412968 /nfs/dbraw/zinc/41/29/68/1099412968.db2.gz ZBSJGXCFCGNNHM-UHFFFAOYSA-N -1 3 373.412 4.099 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)c([O-])c1 ZINC000436905086 1099415053 /nfs/dbraw/zinc/41/50/53/1099415053.db2.gz YOIANQGPMDFVKS-UHFFFAOYSA-N -1 3 360.417 4.477 20 0 FIADHM CO[C@]1(C)CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436909770 1099417620 /nfs/dbraw/zinc/41/76/20/1099417620.db2.gz ZFVWHALAPKRZAI-HSZRJFAPSA-N -1 3 367.489 4.209 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000436909749 1099418379 /nfs/dbraw/zinc/41/83/79/1099418379.db2.gz ZBPGNWWYFANIPH-UHFFFAOYSA-N -1 3 358.401 4.258 20 0 FIADHM CO[C@@]1(C)CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436909772 1099418608 /nfs/dbraw/zinc/41/86/08/1099418608.db2.gz ZFVWHALAPKRZAI-QHCPKHFHSA-N -1 3 367.489 4.209 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(Cc2ccncc2)no1 ZINC000436898001 1099422923 /nfs/dbraw/zinc/42/29/23/1099422923.db2.gz VUMZKALYYAIBIY-UHFFFAOYSA-N -1 3 359.385 4.007 20 0 FIADHM COc1cccc(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)c1[O-] ZINC000436901442 1099428543 /nfs/dbraw/zinc/42/85/43/1099428543.db2.gz MQYZIVZYYUSJFB-UHFFFAOYSA-N -1 3 354.259 4.276 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3cccnc3OCC(F)F)no2)c([O-])c1 ZINC000436960840 1099460620 /nfs/dbraw/zinc/46/06/20/1099460620.db2.gz IPUXQNLBQJTBJK-UHFFFAOYSA-N -1 3 361.348 4.272 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(Sc3ccncc3)cc2)c1[O-] ZINC000436968989 1099467524 /nfs/dbraw/zinc/46/75/24/1099467524.db2.gz WXGJMQDDUXOHTK-UHFFFAOYSA-N -1 3 352.415 4.199 20 0 FIADHM O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436952849 1099469890 /nfs/dbraw/zinc/46/98/90/1099469890.db2.gz KLGKBQYFKRBTQN-UHFFFAOYSA-N -1 3 361.401 4.106 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@H](c3ccccc3OC)C2)c([O-])c1 ZINC000436992292 1099495208 /nfs/dbraw/zinc/49/52/08/1099495208.db2.gz WFDHCNDTFZNNNC-INIZCTEOSA-N -1 3 369.461 4.209 20 0 FIADHM Cc1c([O-])ccc2c(CNc3ccc(N4CCCCC4)cc3)cc(=O)oc12 ZINC000030007322 1099505711 /nfs/dbraw/zinc/50/57/11/1099505711.db2.gz ILHKVUWGEWOYOO-UHFFFAOYSA-N -1 3 364.445 4.409 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000188781699 1099564120 /nfs/dbraw/zinc/56/41/20/1099564120.db2.gz YORZVDOGYIZORZ-UHFFFAOYSA-N -1 3 374.441 4.015 20 0 FIADHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001212088291 1099591553 /nfs/dbraw/zinc/59/15/53/1099591553.db2.gz LKMNGDGVCVUONE-SECBINFHSA-N -1 3 357.825 4.462 20 0 FIADHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000516670227 1099700310 /nfs/dbraw/zinc/70/03/10/1099700310.db2.gz YDNBLSQDOJVVNF-GFCCVEGCSA-N -1 3 355.825 4.031 20 0 FIADHM COCC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000263396345 1099786213 /nfs/dbraw/zinc/78/62/13/1099786213.db2.gz GTEOGCGTGYGZLT-QGZVFWFLSA-N -1 3 367.367 4.271 20 0 FIADHM COc1cc([C@H](C)NCc2ccc(C(=O)[O-])cc2)ccc1OCC(C)C ZINC000263475973 1099794638 /nfs/dbraw/zinc/79/46/38/1099794638.db2.gz MPXCCJJSORFTAV-HNNXBMFYSA-N -1 3 357.450 4.279 20 0 FIADHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cc(=O)c2ccccc2[n-]1 ZINC000437329810 1099810695 /nfs/dbraw/zinc/81/06/95/1099810695.db2.gz QVJJLABEMROYTF-XJKSGUPXSA-N -1 3 373.239 4.121 20 0 FIADHM COc1cccc(F)c1[C@H](C)NCc1cccc([O-])c1Br ZINC000459414729 1100138859 /nfs/dbraw/zinc/13/88/59/1100138859.db2.gz QVJIACYUODLFTJ-JTQLQIEISA-N -1 3 354.219 4.153 20 0 FIADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)nn1C1CCCCC1 ZINC000291168406 1100249903 /nfs/dbraw/zinc/24/99/03/1100249903.db2.gz RLJHYDKBYWNODZ-UHFFFAOYSA-N -1 3 350.422 4.203 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437896377 1100286989 /nfs/dbraw/zinc/28/69/89/1100286989.db2.gz PIDLJYMXYOBEFC-XHDPSFHLSA-N -1 3 369.223 4.193 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCCc3c(F)cccc32)c1Br ZINC000459561325 1100306870 /nfs/dbraw/zinc/30/68/70/1100306870.db2.gz DOACUUAWYYFSSW-OAHLLOKOSA-N -1 3 350.231 4.461 20 0 FIADHM CN1CCC[C@H](NCc2cccc([O-])c2Br)c2ccccc21 ZINC000459569864 1100317085 /nfs/dbraw/zinc/31/70/85/1100317085.db2.gz LBOALLSAYFGKTM-HNNXBMFYSA-N -1 3 361.283 4.216 20 0 FIADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506188615 1100510076 /nfs/dbraw/zinc/51/00/76/1100510076.db2.gz HXLDYTUZSLZMSS-LBPRGKRZSA-N -1 3 374.362 4.380 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1Cl ZINC000517724545 1100621689 /nfs/dbraw/zinc/62/16/89/1100621689.db2.gz MBEDBGRBHFZNST-CQSZACIVSA-N -1 3 363.788 4.230 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)CC(F)(F)F)nc2)n1 ZINC000664698126 1100678267 /nfs/dbraw/zinc/67/82/67/1100678267.db2.gz XBZISIMUCDYSCT-UHFFFAOYSA-N -1 3 354.376 4.197 20 0 FIADHM COc1cc(Cl)c(NC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000426033499 1100700045 /nfs/dbraw/zinc/70/00/45/1100700045.db2.gz CGZGNRMUDUYVIQ-UHFFFAOYSA-N -1 3 351.805 4.463 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1c(Cl)cccc1Cl ZINC000518052093 1100880655 /nfs/dbraw/zinc/88/06/55/1100880655.db2.gz MAKXKDGUHDBTFH-AWEZNQCLSA-N -1 3 360.237 4.098 20 0 FIADHM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439100971 1101163097 /nfs/dbraw/zinc/16/30/97/1101163097.db2.gz XJIAZVXXVOWUKO-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM C[C@@H]1CC[C@@H](CCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)O1 ZINC000439160215 1101206032 /nfs/dbraw/zinc/20/60/32/1101206032.db2.gz ZLARCCCMONNIER-YGRLFVJLSA-N -1 3 368.264 4.092 20 0 FIADHM COCCN(Cc1ccc(Br)s1)Cc1cc([O-])cc(F)c1 ZINC000426376179 1101412669 /nfs/dbraw/zinc/41/26/69/1101412669.db2.gz DAEHNISZLKJJAQ-UHFFFAOYSA-N -1 3 374.275 4.004 20 0 FIADHM CCCCCS[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000537046115 1101422256 /nfs/dbraw/zinc/42/22/56/1101422256.db2.gz ROYQRBHCTQAPTF-NSHDSACASA-N -1 3 368.524 4.454 20 0 FIADHM CCOCCN(CCC1C[C@@H](C)C[C@H](C)C1)Cc1ccc(C(=O)[O-])o1 ZINC000518782988 1101583351 /nfs/dbraw/zinc/58/33/51/1101583351.db2.gz UXHJKNRTDAYQIS-HOTGVXAUSA-N -1 3 351.487 4.279 20 0 FIADHM COc1ccc(-c2ncc(C(=O)Nc3c([O-])cccc3Cl)s2)cc1 ZINC000518842835 1101650559 /nfs/dbraw/zinc/65/05/59/1101650559.db2.gz HWJYJTJYKYQBMN-UHFFFAOYSA-N -1 3 360.822 4.430 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C(C)C)[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000518910159 1101713532 /nfs/dbraw/zinc/71/35/32/1101713532.db2.gz HDKPWWSGIXXLMM-YLJYHZDGSA-N -1 3 368.481 4.302 20 0 FIADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2cccs2)no1 ZINC000519122059 1101946010 /nfs/dbraw/zinc/94/60/10/1101946010.db2.gz KKVJSPMOWSGXNY-SECBINFHSA-N -1 3 360.464 4.166 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000476160365 1102008080 /nfs/dbraw/zinc/00/80/80/1102008080.db2.gz NOVBFAYOVWXTQR-UHFFFAOYSA-N -1 3 366.270 4.457 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000263395487 1102109754 /nfs/dbraw/zinc/10/97/54/1102109754.db2.gz GKWJNNZZDIXHGY-UHFFFAOYSA-N -1 3 370.396 4.240 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c(C)c1 ZINC000440292345 1102175344 /nfs/dbraw/zinc/17/53/44/1102175344.db2.gz HBBFCTSIRKLOMQ-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)c4ccoc4C)nc(=O)c23)s1 ZINC000053843159 1102212971 /nfs/dbraw/zinc/21/29/71/1102212971.db2.gz OQTXUSFGGTXIEI-UHFFFAOYSA-N -1 3 370.455 4.348 20 0 FIADHM O=C([O-])[C@H](CCNCc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000426642806 1102228741 /nfs/dbraw/zinc/22/87/41/1102228741.db2.gz LILMNPPMKQTXSP-CQSZACIVSA-N -1 3 352.261 4.417 20 0 FIADHM Cc1ccccc1C[C@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000426642203 1102230008 /nfs/dbraw/zinc/23/00/08/1102230008.db2.gz GEYKFRHFTXZSLQ-CQSZACIVSA-N -1 3 352.261 4.335 20 0 FIADHM CCOc1cc(CN2CCC(c3ccccc3C(=O)[O-])CC2)ccc1OC ZINC000666586246 1102307846 /nfs/dbraw/zinc/30/78/46/1102307846.db2.gz OQRHGNHCJLSNGF-UHFFFAOYSA-N -1 3 369.461 4.172 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCC4(CC4)C3)c2)n1 ZINC000666587533 1102312131 /nfs/dbraw/zinc/31/21/31/1102312131.db2.gz JPUZVAXNFSRMRA-HNNXBMFYSA-N -1 3 351.450 4.321 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000104759348 1102374517 /nfs/dbraw/zinc/37/45/17/1102374517.db2.gz UNNJFWQIBSKZDK-LLVKDONJSA-N -1 3 365.307 4.188 20 0 FIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccccc2)ccc1Cl ZINC000110657367 1102385978 /nfs/dbraw/zinc/38/59/78/1102385978.db2.gz SCKKITFOHPRLON-UHFFFAOYSA-N -1 3 366.730 4.396 20 0 FIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccccc2)ccc1Cl ZINC000110657367 1102385991 /nfs/dbraw/zinc/38/59/91/1102385991.db2.gz SCKKITFOHPRLON-UHFFFAOYSA-N -1 3 366.730 4.396 20 0 FIADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cccc(Cl)c1Cl ZINC000049335524 1102538936 /nfs/dbraw/zinc/53/89/36/1102538936.db2.gz FQSRUSQVPNXWER-UHFFFAOYSA-N -1 3 370.710 4.229 20 0 FIADHM C[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F ZINC000476632121 1102642270 /nfs/dbraw/zinc/64/22/70/1102642270.db2.gz JODVQRKCOYBLQX-SSDOTTSWSA-N -1 3 357.806 4.031 20 0 FIADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000475897392 1102693897 /nfs/dbraw/zinc/69/38/97/1102693897.db2.gz FQTQOEQBCKCQLL-UHFFFAOYSA-N -1 3 373.416 4.250 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c(C)c1 ZINC000550992622 1102752672 /nfs/dbraw/zinc/75/26/72/1102752672.db2.gz LCCGGUBKGGUPJA-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000537663028 1102789998 /nfs/dbraw/zinc/78/99/98/1102789998.db2.gz KSRSWZQJBJZSHF-OAHLLOKOSA-N -1 3 370.518 4.310 20 0 FIADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC(C)C ZINC000426714789 1102937477 /nfs/dbraw/zinc/93/74/77/1102937477.db2.gz FNLYUNQXJQLILC-FQEVSTJZSA-N -1 3 357.450 4.015 20 0 FIADHM Cc1cccc([C@@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])c1C ZINC000426719086 1102938822 /nfs/dbraw/zinc/93/88/22/1102938822.db2.gz DJXHQQFZWIADME-MRXNPFEDSA-N -1 3 366.230 4.121 20 0 FIADHM CC(C)(C)c1nc(CNC[C@H](Cc2cccc(Cl)c2)C(=O)[O-])cs1 ZINC000426710693 1102946238 /nfs/dbraw/zinc/94/62/38/1102946238.db2.gz XGAPCMXITXKJSS-ZDUSSCGKSA-N -1 3 366.914 4.127 20 0 FIADHM O=C([O-])C[C@@H](CNCc1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000426708237 1102946471 /nfs/dbraw/zinc/94/64/71/1102946471.db2.gz HZOSTIMAECVZFX-LBPRGKRZSA-N -1 3 356.224 4.481 20 0 FIADHM Cc1cccc([C@@H](NCc2cnn(-c3ccc(Cl)cc3)c2)C(=O)[O-])c1C ZINC000426734975 1102953989 /nfs/dbraw/zinc/95/39/89/1102953989.db2.gz CHYPNGXOZQTWBN-LJQANCHMSA-N -1 3 369.852 4.058 20 0 FIADHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1OCC(C)C ZINC000426742099 1102958123 /nfs/dbraw/zinc/95/81/23/1102958123.db2.gz OBQICSLLVCYTGR-NRFANRHFSA-N -1 3 371.477 4.262 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Br)c(F)c1)c1ccccc1 ZINC000426745773 1102961416 /nfs/dbraw/zinc/96/14/16/1102961416.db2.gz VXYWGSQECIXITP-MEDUHNTESA-N -1 3 366.230 4.140 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(Cl)c2)cc1 ZINC000614840890 1102965137 /nfs/dbraw/zinc/96/51/37/1102965137.db2.gz CXRBWLJEHMKZQY-UHFFFAOYSA-N -1 3 369.870 4.328 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])s2)o1 ZINC000426745236 1102965140 /nfs/dbraw/zinc/96/51/40/1102965140.db2.gz GBUYBDMMKWKPCP-CXAGYDPISA-N -1 3 356.447 4.263 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000426751913 1102967877 /nfs/dbraw/zinc/96/78/77/1102967877.db2.gz ZATRJXLUJYLFCK-OAHLLOKOSA-N -1 3 373.758 4.197 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000426754933 1102970593 /nfs/dbraw/zinc/97/05/93/1102970593.db2.gz VIDXXUAHYQJWEE-KBXCAEBGSA-N -1 3 352.459 4.362 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(F)c1 ZINC000426762095 1102974706 /nfs/dbraw/zinc/97/47/06/1102974706.db2.gz HHVDBDGSNQUXHR-AWEZNQCLSA-N -1 3 361.722 4.413 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(OC3CCCC3)c2)c1 ZINC000426762708 1102976789 /nfs/dbraw/zinc/97/67/89/1102976789.db2.gz MQLHENAHKWRYQV-NRFANRHFSA-N -1 3 369.461 4.322 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2C)c1 ZINC000426775667 1102981467 /nfs/dbraw/zinc/98/14/67/1102981467.db2.gz UDSCQAFJAXYZRX-KRWDZBQOSA-N -1 3 367.367 4.328 20 0 FIADHM CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426805681 1102988165 /nfs/dbraw/zinc/98/81/65/1102988165.db2.gz DTKVYIOMCKIQRG-MRXNPFEDSA-N -1 3 363.841 4.053 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2csc3ccccc23)c1OC ZINC000426808057 1102989170 /nfs/dbraw/zinc/98/91/70/1102989170.db2.gz QAYBPMBACCERSQ-MRXNPFEDSA-N -1 3 371.458 4.224 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccccc3)s2)c1 ZINC000426789013 1102991785 /nfs/dbraw/zinc/99/17/85/1102991785.db2.gz QVJNZPUULZOVIK-SFHVURJKSA-N -1 3 368.458 4.124 20 0 FIADHM Cc1ccccc1[C@@H](CC(=O)[O-])NCc1cnc(-c2ccsc2)s1 ZINC000426791468 1102993688 /nfs/dbraw/zinc/99/36/88/1102993688.db2.gz FAPAOYNVDBGFSK-MRXNPFEDSA-N -1 3 358.488 4.486 20 0 FIADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccc(N3CCCC3)nc2)cc1 ZINC000426814216 1103008774 /nfs/dbraw/zinc/00/87/74/1103008774.db2.gz DHUQHHFHEOLXQO-FQEVSTJZSA-N -1 3 367.493 4.111 20 0 FIADHM CCc1ccc([C@@H](NCc2ccc(OC(F)F)c(Cl)c2)C(=O)[O-])cc1 ZINC000426815458 1103010708 /nfs/dbraw/zinc/01/07/08/1103010708.db2.gz FQUKLABVQMIEQO-MRXNPFEDSA-N -1 3 369.795 4.419 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1Cl ZINC000614863597 1103010740 /nfs/dbraw/zinc/01/07/40/1103010740.db2.gz HDJWKFHZXLEQHU-UHFFFAOYSA-N -1 3 369.870 4.245 20 0 FIADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)CCC2 ZINC000477001491 1103012236 /nfs/dbraw/zinc/01/22/36/1103012236.db2.gz BWUBOVJXHVRBDO-HXUWFJFHSA-N -1 3 360.457 4.459 20 0 FIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)ccc1F ZINC000426822100 1103016682 /nfs/dbraw/zinc/01/66/82/1103016682.db2.gz ZTIFKJPYUNKGSB-INIZCTEOSA-N -1 3 366.230 4.202 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(Br)c1)c1cccs1 ZINC000426822085 1103017405 /nfs/dbraw/zinc/01/74/05/1103017405.db2.gz ZPGCTCCUSUZRED-LBPRGKRZSA-N -1 3 360.660 4.080 20 0 FIADHM COc1ccc([C@@H](NCc2cccc(OC3CCCC3)c2)C(=O)[O-])cc1F ZINC000426828063 1103026412 /nfs/dbraw/zinc/02/64/12/1103026412.db2.gz XWLKPKGWUQGCBW-HXUWFJFHSA-N -1 3 373.424 4.071 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)F)ccc1Cl)c1cncc(Cl)c1 ZINC000507013009 1103035649 /nfs/dbraw/zinc/03/56/49/1103035649.db2.gz OMWZALWGTGHDDY-UHFFFAOYSA-N -1 3 353.177 4.127 20 0 FIADHM O=c1cc(CNC2(c3c(Cl)cccc3Cl)CC2)nc(C2CC2)[n-]1 ZINC000459380011 1103048849 /nfs/dbraw/zinc/04/88/49/1103048849.db2.gz ALEDWXJXJKUHJY-UHFFFAOYSA-N -1 3 350.249 4.145 20 0 FIADHM Cc1nc(C)c(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000551433034 1103214599 /nfs/dbraw/zinc/21/45/99/1103214599.db2.gz CGAQMXHAXIYPTK-CYBMUJFWSA-N -1 3 358.385 4.084 20 0 FIADHM N#CC(=C([O-])C=Cc1ccc(Br)o1)c1ccc2ccccc2n1 ZINC000048852323 1103217978 /nfs/dbraw/zinc/21/79/78/1103217978.db2.gz ITGCQUDUPGGMED-MRZGDXHCSA-N -1 3 367.202 4.480 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(C(C)(C)C)cc3O)c[n-]c12 ZINC000507285681 1103271179 /nfs/dbraw/zinc/27/11/79/1103271179.db2.gz OUVNYZDVEOJKRU-UHFFFAOYSA-N -1 3 368.408 4.231 20 0 FIADHM CC(C)[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCS1 ZINC000440493508 1103293527 /nfs/dbraw/zinc/29/35/27/1103293527.db2.gz WYQVBOQZEGMRQT-FQEVSTJZSA-N -1 3 355.503 4.197 20 0 FIADHM CC[C@H](NCc1cccc([O-])c1Br)c1ccc(OC)cc1 ZINC000315574307 1103318206 /nfs/dbraw/zinc/31/82/06/1103318206.db2.gz NXYYWILIUOCYNI-HNNXBMFYSA-N -1 3 350.256 4.404 20 0 FIADHM CCC[C@@H](NC(=O)[C@@H](C)SCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000477351471 1103415437 /nfs/dbraw/zinc/41/54/37/1103415437.db2.gz LZOURYSULHNAEB-RHSMWYFYSA-N -1 3 373.522 4.024 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C ZINC000427314294 1103439931 /nfs/dbraw/zinc/43/99/31/1103439931.db2.gz QBEFMTFTTSLIRG-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM O=C(c1cc(F)ccc1F)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507599451 1103532659 /nfs/dbraw/zinc/53/26/59/1103532659.db2.gz BIPWVVQLUZHRPL-UHFFFAOYSA-N -1 3 367.342 4.044 20 0 FIADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)CCC2 ZINC000477509956 1103603085 /nfs/dbraw/zinc/60/30/85/1103603085.db2.gz BWUBOVJXHVRBDO-FQEVSTJZSA-N -1 3 360.457 4.459 20 0 FIADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1OC(C)C ZINC000469546487 1103729581 /nfs/dbraw/zinc/72/95/81/1103729581.db2.gz GECQLKQOMJWWAQ-UHFFFAOYSA-N -1 3 361.413 4.289 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000440989915 1104064566 /nfs/dbraw/zinc/06/45/66/1104064566.db2.gz UMKGXFAIUBFILJ-INIZCTEOSA-N -1 3 364.367 4.014 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)n(-c3ccccc3)n2)c(F)c1F ZINC000461095257 1104092625 /nfs/dbraw/zinc/09/26/25/1104092625.db2.gz OZNBKPXBJHEOLU-UHFFFAOYSA-N -1 3 373.334 4.053 20 0 FIADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(NC(C)=O)ccc2[O-])o1 ZINC000122914717 1104376104 /nfs/dbraw/zinc/37/61/04/1104376104.db2.gz GHLJXEVKKPCIEA-FZKQIMNGSA-N -1 3 370.449 4.119 20 0 FIADHM Cc1ccc(CN(CCCC(C)C)C(=O)CCc2c(C)nc(C)[n-]c2=O)o1 ZINC000895064541 1104820666 /nfs/dbraw/zinc/82/06/66/1104820666.db2.gz WZAZWAGXABRZDY-UHFFFAOYSA-N -1 3 373.497 4.098 20 0 FIADHM Cc1cccc(C[C@H](CNCc2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000417556238 1104968899 /nfs/dbraw/zinc/96/88/99/1104968899.db2.gz GGDAXBRIZJJWBJ-CYBMUJFWSA-N -1 3 358.290 4.396 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccsc1)c1ccc(Br)cc1 ZINC000417642614 1105043991 /nfs/dbraw/zinc/04/39/91/1105043991.db2.gz WECBFQWIHAYUCO-YGRLFVJLSA-N -1 3 354.269 4.062 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C)c1 ZINC000508145358 1105340138 /nfs/dbraw/zinc/34/01/38/1105340138.db2.gz YNOBNWMKWZXGHY-UHFFFAOYSA-N -1 3 358.507 4.485 20 0 FIADHM Cc1c([O-])ccc2c(CNc3cccc(C4CCOCC4)c3)cc(=O)oc12 ZINC000530133706 1106864720 /nfs/dbraw/zinc/86/47/20/1106864720.db2.gz DGDRYMGNBWWCOO-UHFFFAOYSA-N -1 3 365.429 4.313 20 0 FIADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(C)(F)F)c1)c1ccc(F)cc1 ZINC000530138526 1106869038 /nfs/dbraw/zinc/86/90/38/1106869038.db2.gz ZOSKYJWDVXODSM-MRXNPFEDSA-N -1 3 373.396 4.067 20 0 FIADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530165384 1106872187 /nfs/dbraw/zinc/87/21/87/1106872187.db2.gz XVNVHKPPKNULQD-ZDUSSCGKSA-N -1 3 373.453 4.034 20 0 FIADHM Cc1cc(Br)c(CN2CC[C@](C(=O)[O-])(C(C)C)C2)cc1Cl ZINC000530166548 1106873184 /nfs/dbraw/zinc/87/31/84/1106873184.db2.gz QFUKTYFOMZWCLT-MRXNPFEDSA-N -1 3 374.706 4.344 20 0 FIADHM O=C([O-])c1ccc(F)c2c1CN(CCCOc1cccc(Cl)c1)CC2 ZINC000530168587 1106875898 /nfs/dbraw/zinc/87/58/98/1106875898.db2.gz OOOWVXQKJGMRTP-UHFFFAOYSA-N -1 3 363.816 4.005 20 0 FIADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C)c1ccccc1 ZINC000451013530 1106892236 /nfs/dbraw/zinc/89/22/36/1106892236.db2.gz ALKWJRFPRMOLAC-INIZCTEOSA-N -1 3 373.396 4.143 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c2ccccc12 ZINC000614737263 1106907210 /nfs/dbraw/zinc/90/72/10/1106907210.db2.gz IVLNSRNXXYQMGO-UHFFFAOYSA-N -1 3 365.813 4.442 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)Cc3ccc(C)cc3C)nc2)n1 ZINC000301161126 1106950552 /nfs/dbraw/zinc/95/05/52/1106950552.db2.gz BZPDQYOCSDCPQL-MRXNPFEDSA-N -1 3 362.477 4.467 20 0 FIADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2scnc2C(C)C)s1 ZINC000451327718 1107035719 /nfs/dbraw/zinc/03/57/19/1107035719.db2.gz GJSLEEROGCFECB-UHFFFAOYSA-N -1 3 362.455 4.485 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CC)c3ccc(OC)cc3)nc2)n1 ZINC000301521671 1107056019 /nfs/dbraw/zinc/05/60/19/1107056019.db2.gz LNBDGSLTHHUZOH-GOSISDBHSA-N -1 3 364.449 4.378 20 0 FIADHM [O-]c1ccc(CNc2ncnc3cc(Cl)ccc32)cc1Br ZINC000301716571 1107121428 /nfs/dbraw/zinc/12/14/28/1107121428.db2.gz XTTRZPZCPLLMLN-UHFFFAOYSA-N -1 3 364.630 4.363 20 0 FIADHM Fc1ccccc1[N-]c1nnc(Sc2ccc(C(F)(F)F)nn2)s1 ZINC000301928222 1107214612 /nfs/dbraw/zinc/21/46/12/1107214612.db2.gz NKRADBUVTORIQS-UHFFFAOYSA-N -1 3 373.360 4.381 20 0 FIADHM CCc1cccc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1[O-] ZINC000530719132 1107281917 /nfs/dbraw/zinc/28/19/17/1107281917.db2.gz FWCGNYXPFAXFDJ-UHFFFAOYSA-N -1 3 355.434 4.073 20 0 FIADHM O=C(CCc1cc(Cl)cs1)Nc1cc(Br)ccc1[O-] ZINC000530777187 1107313005 /nfs/dbraw/zinc/31/30/05/1107313005.db2.gz RHHBDRJAXQWOPP-UHFFFAOYSA-N -1 3 360.660 4.441 20 0 FIADHM Cc1csc2nc(C)nc(NCc3ccc([O-])c(Br)c3)c12 ZINC000302307279 1107355369 /nfs/dbraw/zinc/35/53/69/1107355369.db2.gz RQKWKURWCGVPSB-UHFFFAOYSA-N -1 3 364.268 4.388 20 0 FIADHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000452232508 1107553413 /nfs/dbraw/zinc/55/34/13/1107553413.db2.gz OZXZFUUIWUCVSO-SCRDCRAPSA-N -1 3 361.379 4.432 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c1 ZINC000444403624 1107555748 /nfs/dbraw/zinc/55/57/48/1107555748.db2.gz IDDPJIKKPCTHTM-YJYMSZOUSA-N -1 3 359.853 4.210 20 0 FIADHM CCC(=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000728818286 1107758658 /nfs/dbraw/zinc/75/86/58/1107758658.db2.gz HYQBLJSIRSWING-PEZBUJJGSA-N -1 3 359.429 4.177 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c(C)c1 ZINC000614784685 1107778885 /nfs/dbraw/zinc/77/88/85/1107778885.db2.gz UUDKCUWSYTXAJB-UHFFFAOYSA-N -1 3 361.463 4.126 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1C(=O)c1ccc(F)cc1 ZINC000531373696 1107816628 /nfs/dbraw/zinc/81/66/28/1107816628.db2.gz MRJLEIHYDPGAKT-UHFFFAOYSA-N -1 3 353.324 4.154 20 0 FIADHM O=C(C/C=C/c1cccc(F)c1)Nc1ccc(Br)cc1[O-] ZINC000531386837 1107838178 /nfs/dbraw/zinc/83/81/78/1107838178.db2.gz XVRRKXSNSJWOEY-DUXPYHPUSA-N -1 3 350.187 4.336 20 0 FIADHM CCO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C ZINC000452821541 1107960551 /nfs/dbraw/zinc/96/05/51/1107960551.db2.gz IVQVWMFLFVWIEG-FOIQADDNSA-N -1 3 355.434 4.072 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000531540281 1107962822 /nfs/dbraw/zinc/96/28/22/1107962822.db2.gz HDBMTBSGPYKPOP-UHFFFAOYSA-N -1 3 374.431 4.367 20 0 FIADHM CO[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1(C)C ZINC000452837161 1107986047 /nfs/dbraw/zinc/98/60/47/1107986047.db2.gz BDEJWLSDTZJVOQ-IBGZPJMESA-N -1 3 355.434 4.072 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Nc2ncccn2)cc1 ZINC000444613321 1108020766 /nfs/dbraw/zinc/02/07/66/1108020766.db2.gz XANLGRVWHXIQMW-UHFFFAOYSA-N -1 3 366.396 4.026 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000523317371 1108062512 /nfs/dbraw/zinc/06/25/12/1108062512.db2.gz BBKBZKQNUMWCND-UHFFFAOYSA-N -1 3 361.398 4.027 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N3CCSCC3)cc2C)c1 ZINC000523333106 1108106745 /nfs/dbraw/zinc/10/67/45/1108106745.db2.gz QBWXDUACTBQUSY-UHFFFAOYSA-N -1 3 356.491 4.069 20 0 FIADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000523509998 1108272769 /nfs/dbraw/zinc/27/27/69/1108272769.db2.gz HPBZNVUDVAXFKX-NSHDSACASA-N -1 3 370.346 4.453 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1C ZINC000531951526 1108435582 /nfs/dbraw/zinc/43/55/82/1108435582.db2.gz UDOYFKZMLBFHIF-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM O=S(=O)([N-]CCCSc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000016085023 1108492044 /nfs/dbraw/zinc/49/20/44/1108492044.db2.gz CBNQCYJVAUGRLZ-UHFFFAOYSA-N -1 3 365.904 4.001 20 0 FIADHM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1cccc(Cl)c1F ZINC000426754283 1108503131 /nfs/dbraw/zinc/50/31/31/1108503131.db2.gz PDCSYAUPBGBPCE-AWEZNQCLSA-N -1 3 360.187 4.057 20 0 FIADHM Cc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)c(C)c1 ZINC000445360978 1108696770 /nfs/dbraw/zinc/69/67/70/1108696770.db2.gz KYSFJALFBOWDOK-UHFFFAOYSA-N -1 3 365.433 4.364 20 0 FIADHM COc1cc(-c2nc(Cc3ccc(Cl)cc3C)no2)cc(OC)c1[O-] ZINC000445586055 1108892621 /nfs/dbraw/zinc/89/26/21/1108892621.db2.gz WHWGGNBGTNEAPK-UHFFFAOYSA-N -1 3 360.797 4.012 20 0 FIADHM O=S(=O)([N-][C@@H](Cc1ccc(Cl)cc1)c1ccccc1)c1ccco1 ZINC000445712417 1108962853 /nfs/dbraw/zinc/96/28/53/1108962853.db2.gz RSZJEVXDHDTXJV-KRWDZBQOSA-N -1 3 361.850 4.195 20 0 FIADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)c1cc(F)cc(F)c1 ZINC000446145595 1109129387 /nfs/dbraw/zinc/12/93/87/1109129387.db2.gz MQCSMRHRERNVKB-UHFFFAOYSA-N -1 3 356.353 4.254 20 0 FIADHM O=C(CCCc1csc2ccccc12)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000446872240 1109373630 /nfs/dbraw/zinc/37/36/30/1109373630.db2.gz KNVZLHBTYMRDJN-UHFFFAOYSA-N -1 3 362.458 4.070 20 0 FIADHM CC(C)c1sc(NC(=O)c2cccc3n[n-]nc32)nc1-c1ccccc1 ZINC000525867263 1109537513 /nfs/dbraw/zinc/53/75/13/1109537513.db2.gz DQBXXPOGHUHKAJ-UHFFFAOYSA-N -1 3 363.446 4.457 20 0 FIADHM O=C(c1cccc2n[n-]nc21)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000527357289 1109748462 /nfs/dbraw/zinc/74/84/62/1109748462.db2.gz OCZIFUMZGXTHAF-UHFFFAOYSA-N -1 3 352.781 4.051 20 0 FIADHM Cc1nc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)c(-c2ccccc2)o1 ZINC000448539395 1109817825 /nfs/dbraw/zinc/81/78/25/1109817825.db2.gz UAAUJPWHHQEUKR-UHFFFAOYSA-N -1 3 363.348 4.118 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000448614460 1109847326 /nfs/dbraw/zinc/84/73/26/1109847326.db2.gz ICULIVKNOAUKRE-HNNXBMFYSA-N -1 3 356.422 4.047 20 0 FIADHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc([O-])cc(Br)c2)s1 ZINC000528458316 1109995455 /nfs/dbraw/zinc/99/54/55/1109995455.db2.gz MDBADWSBQCSXMT-VIFPVBQESA-N -1 3 369.284 4.061 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3CC=CCC3)cc2)cc(=O)[n-]1 ZINC000528918069 1110151039 /nfs/dbraw/zinc/15/10/39/1110151039.db2.gz NVWPALICNARDDJ-OAHLLOKOSA-N -1 3 352.438 4.026 20 0 FIADHM Cc1c(NC(=O)c2cc([O-])cc(Br)c2)cnn1C1CCCC1 ZINC000529179169 1110218548 /nfs/dbraw/zinc/21/85/48/1110218548.db2.gz HRVHYTATSMCLLQ-UHFFFAOYSA-N -1 3 364.243 4.027 20 0 FIADHM COc1cc(/C=C/C(=O)c2cc(F)ccc2F)cc(Br)c1[O-] ZINC000007717574 1110291632 /nfs/dbraw/zinc/29/16/32/1110291632.db2.gz JHCBKBPYDLNVFY-GORDUTHDSA-N -1 3 369.161 4.338 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000450571223 1110315454 /nfs/dbraw/zinc/31/54/54/1110315454.db2.gz QXSOLOWIGVILEO-CQSZACIVSA-N -1 3 367.342 4.109 20 0 FIADHM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000529832488 1110322188 /nfs/dbraw/zinc/32/21/88/1110322188.db2.gz RQBJAPHZCMPCHP-MRXNPFEDSA-N -1 3 350.340 4.077 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c(F)c1 ZINC000538621796 1111218031 /nfs/dbraw/zinc/21/80/31/1111218031.db2.gz LFPWICIOCKXKED-UHFFFAOYSA-N -1 3 361.442 4.255 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1 ZINC000538744572 1111277641 /nfs/dbraw/zinc/27/76/41/1111277641.db2.gz ZNRJDWZQJLWFCG-UHFFFAOYSA-N -1 3 374.868 4.341 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@]3(c4ccccc4)CC3(C)C)cc2)n1 ZINC000667199369 1111434494 /nfs/dbraw/zinc/43/44/94/1111434494.db2.gz KIGAPRKXZCNLFL-QHCPKHFHSA-N -1 3 373.456 4.052 20 0 FIADHM CCC[C@@H]1CCc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2C1 ZINC000461983963 1111447144 /nfs/dbraw/zinc/44/71/44/1111447144.db2.gz CRYSYSVMFAQXSD-GFCCVEGCSA-N -1 3 368.462 4.350 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1C ZINC000539195421 1111468087 /nfs/dbraw/zinc/46/80/87/1111468087.db2.gz BEYVQTLTPVVKCK-UHFFFAOYSA-N -1 3 351.493 4.225 20 0 FIADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000539238143 1111489854 /nfs/dbraw/zinc/48/98/54/1111489854.db2.gz INJLOROWWSLAPE-UHFFFAOYSA-N -1 3 369.442 4.426 20 0 FIADHM CC[C@H](C)n1ncc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1C1CC1 ZINC000539319565 1111511921 /nfs/dbraw/zinc/51/19/21/1111511921.db2.gz BDKLOPOYYWOXJW-AWEZNQCLSA-N -1 3 363.465 4.104 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccccc2OCc2ccccc2)n1 ZINC000539325145 1111521867 /nfs/dbraw/zinc/52/18/67/1111521867.db2.gz RRMVZIWPPIKZHG-MRXNPFEDSA-N -1 3 363.461 4.174 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2c(C)c(C)sc2Br)c1[O-] ZINC000552070310 1111566724 /nfs/dbraw/zinc/56/67/24/1111566724.db2.gz JHQKGDFTNGPLMI-UHFFFAOYSA-N -1 3 368.252 4.288 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1[O-] ZINC000552287158 1111649745 /nfs/dbraw/zinc/64/97/45/1111649745.db2.gz JYHRRSOVYWYAMH-UHFFFAOYSA-N -1 3 356.765 4.156 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478220805 1111719368 /nfs/dbraw/zinc/71/93/68/1111719368.db2.gz ATASDPSRQYMZEN-FUHWJXTLSA-N -1 3 359.416 4.446 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)ccc1F ZINC000552800909 1111817797 /nfs/dbraw/zinc/81/77/97/1111817797.db2.gz NVTMRUYSKBTLNJ-UHFFFAOYSA-N -1 3 357.834 4.376 20 0 FIADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000552889232 1111839695 /nfs/dbraw/zinc/83/96/95/1111839695.db2.gz MWAYDEJTKJCTAM-GOSISDBHSA-N -1 3 365.429 4.444 20 0 FIADHM O=C([N-]c1ncc(-c2ccccn2)s1)c1cc(-c2cccc(F)c2)no1 ZINC000553115357 1111910492 /nfs/dbraw/zinc/91/04/92/1111910492.db2.gz MYEANDSUDWPUCB-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000479600458 1112083071 /nfs/dbraw/zinc/08/30/71/1112083071.db2.gz QSNSVTXQCYMDQK-KEYYUXOJSA-N -1 3 368.481 4.351 20 0 FIADHM Cc1[n-]c(S(=O)(=O)Cc2cccc(C(F)F)c2)nc1-c1ccccc1 ZINC000479632997 1112089971 /nfs/dbraw/zinc/08/99/71/1112089971.db2.gz MMPJNDXRIUHQMM-UHFFFAOYSA-N -1 3 362.401 4.297 20 0 FIADHM Cc1nc(S(=O)(=O)Cc2cccc(C(F)F)c2)[n-]c1-c1ccccc1 ZINC000479632997 1112089977 /nfs/dbraw/zinc/08/99/77/1112089977.db2.gz MMPJNDXRIUHQMM-UHFFFAOYSA-N -1 3 362.401 4.297 20 0 FIADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)c1c[n-]c2ccccc2c1=O ZINC000553828397 1112106316 /nfs/dbraw/zinc/10/63/16/1112106316.db2.gz GFXTUAUJOMELOQ-AWEZNQCLSA-N -1 3 358.850 4.050 20 0 FIADHM CCCC(CCC)SCc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000064048098 1112243378 /nfs/dbraw/zinc/24/33/78/1112243378.db2.gz KXLQKOZFMSGZJV-UHFFFAOYSA-N -1 3 368.524 4.282 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000480041928 1112249878 /nfs/dbraw/zinc/24/98/78/1112249878.db2.gz RQKUBYHTVDSPTC-UHFFFAOYSA-N -1 3 362.176 4.105 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000480228400 1112339655 /nfs/dbraw/zinc/33/96/55/1112339655.db2.gz JVRBMFQGGJLHKQ-UHFFFAOYSA-N -1 3 373.396 4.381 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)c([O-])c1 ZINC000898646686 1112353646 /nfs/dbraw/zinc/35/36/46/1112353646.db2.gz UFWHKEDFEDTXQD-QGZVFWFLSA-N -1 3 361.445 4.089 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000600118664 1112890824 /nfs/dbraw/zinc/89/08/24/1112890824.db2.gz UDAZBZWXKNPPSW-NXEZZACHSA-N -1 3 363.204 4.114 20 0 FIADHM Cc1ccccc1O[C@@H]1CCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142657132 1113099145 /nfs/dbraw/zinc/09/91/45/1113099145.db2.gz PMWDVAZYNZVICP-QGZVFWFLSA-N -1 3 359.853 4.390 20 0 FIADHM Cc1cc(Cl)ccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482803808 1113369072 /nfs/dbraw/zinc/36/90/72/1113369072.db2.gz RZNRJMQLMDGGKI-UHFFFAOYSA-N -1 3 369.646 4.438 20 0 FIADHM CCOc1c(Cl)cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1Cl ZINC000907427212 1113543943 /nfs/dbraw/zinc/54/39/43/1113543943.db2.gz ZGVOBZJEEPRZFG-UHFFFAOYSA-N -1 3 368.220 4.017 20 0 FIADHM CCc1nc(C)c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)s1 ZINC000907518799 1113554563 /nfs/dbraw/zinc/55/45/63/1113554563.db2.gz ONIOASMRHJMMGQ-UHFFFAOYSA-N -1 3 368.484 4.070 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccc(C)cc4)C[C@H]3C)nc2)n1 ZINC000486469383 1113574547 /nfs/dbraw/zinc/57/45/47/1113574547.db2.gz UPAYQWSJWGITAC-VQIMIIECSA-N -1 3 374.488 4.497 20 0 FIADHM Cc1cc(F)ccc1CN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000488033705 1113847461 /nfs/dbraw/zinc/84/74/61/1113847461.db2.gz JXHUDDPILQTRGG-UHFFFAOYSA-N -1 3 351.381 4.161 20 0 FIADHM CC(C)O[C@H](CSc1nc(=O)cc([O-])n1C1CCCC1)c1ccccc1 ZINC000488237627 1113885844 /nfs/dbraw/zinc/88/58/44/1113885844.db2.gz ZOPIBMSEXNWGGD-QGZVFWFLSA-N -1 3 374.506 4.322 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)c1 ZINC000668849660 1113918717 /nfs/dbraw/zinc/91/87/17/1113918717.db2.gz PUPWZWRQXNXVKS-UHFFFAOYSA-N -1 3 357.475 4.106 20 0 FIADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c(Cl)cc(F)cc2Cl)[n-]n1 ZINC000911567504 1113999739 /nfs/dbraw/zinc/99/97/39/1113999739.db2.gz DGUWMRJBHLSQTQ-UHFFFAOYSA-N -1 3 374.199 4.063 20 0 FIADHM CC(C)(C)OC(=O)c1cc(NC(=O)c2c(Cl)cc(F)cc2Cl)n[n-]1 ZINC000911567504 1113999741 /nfs/dbraw/zinc/99/97/41/1113999741.db2.gz DGUWMRJBHLSQTQ-UHFFFAOYSA-N -1 3 374.199 4.063 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1COc2ccc(Cl)cc21 ZINC000489053927 1114038297 /nfs/dbraw/zinc/03/82/97/1114038297.db2.gz XQAXMEOIZIXLPL-NSHDSACASA-N -1 3 357.715 4.179 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c(Cl)c1 ZINC000571083023 1114431918 /nfs/dbraw/zinc/43/19/18/1114431918.db2.gz ZYBBITPYAWXSJN-UHFFFAOYSA-N -1 3 374.245 4.005 20 0 FIADHM CCc1cc2c(CN[C@@H](C)c3cc(F)ccc3OC)cc(=O)oc2cc1[O-] ZINC000056183920 1114644106 /nfs/dbraw/zinc/64/41/06/1114644106.db2.gz VSADHNHQHQRPPP-LBPRGKRZSA-N -1 3 371.408 4.060 20 0 FIADHM Cc1ccc(OCc2ccccc2)c(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000572466309 1114654208 /nfs/dbraw/zinc/65/42/08/1114654208.db2.gz RKTFGUYIIUAARM-UHFFFAOYSA-N -1 3 358.401 4.098 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)c(C)c1 ZINC000589939175 1114870235 /nfs/dbraw/zinc/87/02/35/1114870235.db2.gz XZDLAEKQOFRAKQ-UHFFFAOYSA-N -1 3 373.396 4.354 20 0 FIADHM O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1c([O-])cccc1Cl ZINC000590567031 1114949441 /nfs/dbraw/zinc/94/94/41/1114949441.db2.gz QVUFGSUOYQNPCY-UHFFFAOYSA-N -1 3 370.257 4.254 20 0 FIADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1ccc(F)cc1C(F)(F)F ZINC000590792820 1114975896 /nfs/dbraw/zinc/97/58/96/1114975896.db2.gz MWEOKDZENUPACV-UHFFFAOYSA-N -1 3 373.327 4.069 20 0 FIADHM Cc1nc(C(F)(F)F)c(CSCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000573096218 1115048811 /nfs/dbraw/zinc/04/88/11/1115048811.db2.gz MOENROYOIYSMFD-UHFFFAOYSA-N -1 3 361.414 4.277 20 0 FIADHM CC(C)(C)OC(=O)c1cccc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000591351748 1115068763 /nfs/dbraw/zinc/06/87/63/1115068763.db2.gz RTCUNXYUPTWJJQ-OAHLLOKOSA-N -1 3 361.463 4.009 20 0 FIADHM COc1ccc(-c2cc(CSCc3cc(=O)[n-]c(C4CC4)n3)on2)cc1 ZINC000591378682 1115071346 /nfs/dbraw/zinc/07/13/46/1115071346.db2.gz UXZMSGSWSBQKIU-UHFFFAOYSA-N -1 3 369.446 4.157 20 0 FIADHM CC(C)Sc1cccc(Cl)c1CNCCSC[C@@H](C)C(=O)[O-] ZINC000592460866 1115234293 /nfs/dbraw/zinc/23/42/93/1115234293.db2.gz BTNCTDLAOFBESN-GFCCVEGCSA-N -1 3 361.960 4.384 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)c(F)c2)cc1 ZINC000592728237 1115259059 /nfs/dbraw/zinc/25/90/59/1115259059.db2.gz PJMOHVCHFXIOCS-UHFFFAOYSA-N -1 3 373.391 4.234 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)c(F)c2)cc1 ZINC000592728237 1115259064 /nfs/dbraw/zinc/25/90/64/1115259064.db2.gz PJMOHVCHFXIOCS-UHFFFAOYSA-N -1 3 373.391 4.234 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)c(F)c2)cc1 ZINC000592756365 1115263331 /nfs/dbraw/zinc/26/33/31/1115263331.db2.gz OWCGLNZHYKLLJM-UHFFFAOYSA-N -1 3 373.391 4.234 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)c(F)c2)cc1 ZINC000592756365 1115263333 /nfs/dbraw/zinc/26/33/33/1115263333.db2.gz OWCGLNZHYKLLJM-UHFFFAOYSA-N -1 3 373.391 4.234 20 0 FIADHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC2 ZINC000592822204 1115266735 /nfs/dbraw/zinc/26/67/35/1115266735.db2.gz VXBWRDOHZZLZOW-NSHDSACASA-N -1 3 362.303 4.329 20 0 FIADHM O=C(COC(=O)c1ccc([O-])cc1)N1c2ccccc2CCc2ccccc21 ZINC000058605318 1115271322 /nfs/dbraw/zinc/27/13/22/1115271322.db2.gz RUVUWGSSWGRKSK-UHFFFAOYSA-N -1 3 373.408 4.013 20 0 FIADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000575070266 1115533132 /nfs/dbraw/zinc/53/31/32/1115533132.db2.gz RNMBAVLKFHFBSC-LLVKDONJSA-N -1 3 357.841 4.079 20 0 FIADHM Cc1cccc(COc2cccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2)c1 ZINC000641893746 1115655101 /nfs/dbraw/zinc/65/51/01/1115655101.db2.gz CGOVYVPUDZVEBA-UHFFFAOYSA-N -1 3 374.400 4.204 20 0 FIADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cc(F)ccc1Cl ZINC000598028051 1115702844 /nfs/dbraw/zinc/70/28/44/1115702844.db2.gz ZDMNLFWXTSNFLA-UHFFFAOYSA-N -1 3 371.886 4.082 20 0 FIADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c1C ZINC000605257589 1115877968 /nfs/dbraw/zinc/87/79/68/1115877968.db2.gz QTPOSALNPUNCKW-UHFFFAOYSA-N -1 3 373.453 4.046 20 0 FIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)ccc1C ZINC000605496852 1115904645 /nfs/dbraw/zinc/90/46/45/1115904645.db2.gz CSQLUTQKDMCJKB-UHFFFAOYSA-N -1 3 374.506 4.343 20 0 FIADHM Cc1ccccc1C1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000172237098 1115926074 /nfs/dbraw/zinc/92/60/74/1115926074.db2.gz QJRPVFQZEGVRON-UHFFFAOYSA-N -1 3 365.506 4.148 20 0 FIADHM COCCS(=O)(=O)[N-]c1ccccc1-c1ccc(-c2ccccc2)cc1 ZINC000606343079 1115934441 /nfs/dbraw/zinc/93/44/41/1115934441.db2.gz ZHOLWTOVYWMHHY-UHFFFAOYSA-N -1 3 367.470 4.409 20 0 FIADHM Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)c3cnn[n-]3)cc2)c1 ZINC000606393025 1115942218 /nfs/dbraw/zinc/94/22/18/1115942218.db2.gz UQOONUWQAMIJNE-UHFFFAOYSA-N -1 3 350.422 4.068 20 0 FIADHM Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)c3c[n-]nn3)cc2)c1 ZINC000606393025 1115942220 /nfs/dbraw/zinc/94/22/20/1115942220.db2.gz UQOONUWQAMIJNE-UHFFFAOYSA-N -1 3 350.422 4.068 20 0 FIADHM Cc1ccc(C(C)C)c(OCc2ccc(NC(=O)c3cn[n-]n3)cc2)c1 ZINC000606393025 1115942221 /nfs/dbraw/zinc/94/22/21/1115942221.db2.gz UQOONUWQAMIJNE-UHFFFAOYSA-N -1 3 350.422 4.068 20 0 FIADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000606462908 1115946432 /nfs/dbraw/zinc/94/64/32/1115946432.db2.gz XRZXNHWSYMFNLG-SECBINFHSA-N -1 3 364.319 4.273 20 0 FIADHM C[C@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(C(F)(F)F)c1 ZINC000606531766 1115953593 /nfs/dbraw/zinc/95/35/93/1115953593.db2.gz VGKSGMMFQBPGAN-GFCCVEGCSA-N -1 3 374.366 4.045 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000606715008 1115965557 /nfs/dbraw/zinc/96/55/57/1115965557.db2.gz MHVXJECERCPUHJ-INIZCTEOSA-N -1 3 367.424 4.102 20 0 FIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(CCC(C)C)nn1 ZINC000607021540 1115992897 /nfs/dbraw/zinc/99/28/97/1115992897.db2.gz VATOJIOXGROMJO-UHFFFAOYSA-N -1 3 352.891 4.342 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000533965470 1116063193 /nfs/dbraw/zinc/06/31/93/1116063193.db2.gz WKVCBOUXMBFMMS-VHSXEESVSA-N -1 3 366.177 4.462 20 0 FIADHM CSCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000608955794 1116139824 /nfs/dbraw/zinc/13/98/24/1116139824.db2.gz OABLDKNNXUOROR-UHFFFAOYSA-N -1 3 365.520 4.446 20 0 FIADHM Cc1ccc(-n2cc(C(=O)[N-]c3c(F)cc(Cl)c(C)c3F)nn2)cc1 ZINC000534192209 1116170266 /nfs/dbraw/zinc/17/02/66/1116170266.db2.gz MZLHLWDEDBEHCW-UHFFFAOYSA-N -1 3 362.767 4.068 20 0 FIADHM COc1cc(C(=O)Nc2ccc(Cl)cc2[O-])sc1Br ZINC000534703899 1116227671 /nfs/dbraw/zinc/22/76/71/1116227671.db2.gz DAMLTMQBFJARCR-UHFFFAOYSA-N -1 3 362.632 4.131 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1F ZINC000508837486 1116233597 /nfs/dbraw/zinc/23/35/97/1116233597.db2.gz AMDVKJHPYWKMGW-MRXNPFEDSA-N -1 3 373.321 4.263 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc(-c2cccnc2)s1 ZINC000534946823 1116254960 /nfs/dbraw/zinc/25/49/60/1116254960.db2.gz GHCVLZQDHVIPLN-UHFFFAOYSA-N -1 3 365.336 4.182 20 0 FIADHM COc1cc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000457286605 1116261788 /nfs/dbraw/zinc/26/17/88/1116261788.db2.gz SGXKHMWARRPTJI-FQEVSTJZSA-N -1 3 367.445 4.167 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)C3CCC3)cc2)cc1 ZINC000457376719 1116270859 /nfs/dbraw/zinc/27/08/59/1116270859.db2.gz OQBJPFVPUDLONQ-HNNXBMFYSA-N -1 3 372.490 4.171 20 0 FIADHM Cc1c([O-])ccc2c(CN3CCCSc4ccccc43)cc(=O)oc12 ZINC000032511306 1116318631 /nfs/dbraw/zinc/31/86/31/1116318631.db2.gz NQWXHTXWFXWETP-UHFFFAOYSA-N -1 3 353.443 4.309 20 0 FIADHM CCc1oc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1C ZINC000761401454 1116348009 /nfs/dbraw/zinc/34/80/09/1116348009.db2.gz USUHFSTXYZVIEW-JTQLQIEISA-N -1 3 360.435 4.396 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)c1[O-] ZINC000539840501 1116391422 /nfs/dbraw/zinc/39/14/22/1116391422.db2.gz AJLMMRRTRRIYMC-IBGZPJMESA-N -1 3 363.461 4.302 20 0 FIADHM Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)Nc1ncccc1[O-] ZINC000539901102 1117742673 /nfs/dbraw/zinc/74/26/73/1117742673.db2.gz SZQYXMGTFNSVLJ-UHFFFAOYSA-N -1 3 353.447 4.130 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1C ZINC000540293857 1117979563 /nfs/dbraw/zinc/97/95/63/1117979563.db2.gz ZIOVAGRGYFQKPO-UHFFFAOYSA-N -1 3 351.493 4.143 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C[C@H]2C[C@@H]2C)cc1 ZINC000463464615 1118170791 /nfs/dbraw/zinc/17/07/91/1118170791.db2.gz NCZROMXMRZGZJQ-JKSUJKDBSA-N -1 3 372.490 4.089 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2)on1)c1coc(-c2ccccc2Cl)n1 ZINC000540659912 1118177998 /nfs/dbraw/zinc/17/79/98/1118177998.db2.gz QDHCFFVQZOVTFR-UHFFFAOYSA-N -1 3 365.776 4.324 20 0 FIADHM O=C(N[C@@H](c1cc2ccccc2o1)c1ccccc1)c1cccc2n[n-]nc21 ZINC000540963117 1118326138 /nfs/dbraw/zinc/32/61/38/1118326138.db2.gz CASKONYFBAIRLZ-HXUWFJFHSA-N -1 3 368.396 4.224 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(-c4ccccc4)o3)cc2)n1 ZINC000541303025 1118473121 /nfs/dbraw/zinc/47/31/21/1118473121.db2.gz IVXDYLDXUTXBOY-UHFFFAOYSA-N -1 3 371.396 4.258 20 0 FIADHM Cc1ccc(-c2nc(C(=O)[N-]c3ncn(C(C)(C)C)n3)cs2)c(C)c1 ZINC000542247881 1118867288 /nfs/dbraw/zinc/86/72/88/1118867288.db2.gz LZQCCGYQEIAOAA-UHFFFAOYSA-N -1 3 355.467 4.026 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c(F)c1 ZINC000404910793 1119236551 /nfs/dbraw/zinc/23/65/51/1119236551.db2.gz NGINCUWZFAYBOK-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(-c2cccnc2)cc1 ZINC000176390097 1119273690 /nfs/dbraw/zinc/27/36/90/1119273690.db2.gz QWVCTCQQNUIWQB-CQSZACIVSA-N -1 3 365.408 4.154 20 0 FIADHM CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000176619244 1119285448 /nfs/dbraw/zinc/28/54/48/1119285448.db2.gz ALPHKTHSXTYIEL-UHFFFAOYSA-N -1 3 351.431 4.271 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(C)c1 ZINC000007053133 1119468689 /nfs/dbraw/zinc/46/86/89/1119468689.db2.gz DTBOMWQONBMTIT-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2OC)cc(Cl)c1[O-] ZINC000111689675 1119476241 /nfs/dbraw/zinc/47/62/41/1119476241.db2.gz LJFUZHQGEIOPPH-YVMONPNESA-N -1 3 362.809 4.358 20 0 FIADHM Cc1cccc(-n2nc(C(C)(C)C)cc2NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000152828645 1119515891 /nfs/dbraw/zinc/51/58/91/1119515891.db2.gz KWUADTSKHUEBRT-GOSISDBHSA-N -1 3 372.469 4.058 20 0 FIADHM CN(Cc1cscn1)Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185595855 1119674423 /nfs/dbraw/zinc/67/44/23/1119674423.db2.gz YSZIGDRPKSIHSB-UHFFFAOYSA-N -1 3 357.454 4.232 20 0 FIADHM O=C([N-]c1cc(F)c(F)cc1F)c1cc(COc2ccccc2F)on1 ZINC000185697349 1119682348 /nfs/dbraw/zinc/68/23/48/1119682348.db2.gz XYEZIEAQYQXZCR-UHFFFAOYSA-N -1 3 366.270 4.062 20 0 FIADHM C[C@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c2c([O-])cccc21 ZINC000186295379 1119720003 /nfs/dbraw/zinc/72/00/03/1119720003.db2.gz QCUKNHGCQYVHHZ-AWEZNQCLSA-N -1 3 360.413 4.105 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(CC(F)(F)F)cc1 ZINC000189227052 1119866183 /nfs/dbraw/zinc/86/61/83/1119866183.db2.gz FSNSNKLMHNHYQP-UHFFFAOYSA-N -1 3 367.751 4.385 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1cccc(Cl)c1Cl ZINC000195638924 1120200162 /nfs/dbraw/zinc/20/01/62/1120200162.db2.gz RSKPYSQVRJOGMJ-ZDUSSCGKSA-N -1 3 360.237 4.098 20 0 FIADHM CC(C)(C)C1CCN(Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC000226727960 1120255173 /nfs/dbraw/zinc/25/51/73/1120255173.db2.gz SHNLZVXSLNENCV-UHFFFAOYSA-N -1 3 354.288 4.405 20 0 FIADHM O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)NCc1ccc([O-])c(F)c1 ZINC000761726974 1120276001 /nfs/dbraw/zinc/27/60/01/1120276001.db2.gz HYYGJQVVMSFFEJ-JYRVWZFOSA-N -1 3 373.733 4.447 20 0 FIADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1csc(C2CC2)n1 ZINC000194782072 1120303191 /nfs/dbraw/zinc/30/31/91/1120303191.db2.gz KZFPALIRXOUDAC-UHFFFAOYSA-N -1 3 374.516 4.417 20 0 FIADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000914889374 1120626496 /nfs/dbraw/zinc/62/64/96/1120626496.db2.gz HUMJZFLIMLVGAA-UHFFFAOYSA-N -1 3 353.321 4.288 20 0 FIADHM Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914888937 1120627145 /nfs/dbraw/zinc/62/71/45/1120627145.db2.gz CAQSKHMMKYACQB-JTQLQIEISA-N -1 3 362.838 4.375 20 0 FIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000914891886 1120630499 /nfs/dbraw/zinc/63/04/99/1120630499.db2.gz QWGRMLXTNKEHRP-QWHCGFSZSA-N -1 3 368.458 4.143 20 0 FIADHM CCCc1cc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)ccc1Cl ZINC001127331838 1120655535 /nfs/dbraw/zinc/65/55/35/1120655535.db2.gz VBCBWDUPRFJHBP-UHFFFAOYSA-N -1 3 371.824 4.208 20 0 FIADHM CN(Cc1ccc(Br)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000234291251 1120913514 /nfs/dbraw/zinc/91/35/14/1120913514.db2.gz IIRJZWUHJOESET-UHFFFAOYSA-N -1 3 354.631 4.080 20 0 FIADHM COc1ccc(Br)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000234953704 1120935215 /nfs/dbraw/zinc/93/52/15/1120935215.db2.gz BDEMTFCLFMWQJE-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM COc1ccc(C)cc1[C@H](C)NCc1cccc([O-])c1Br ZINC000315803766 1120994545 /nfs/dbraw/zinc/99/45/45/1120994545.db2.gz DQRDUBMHAXEERW-LBPRGKRZSA-N -1 3 350.256 4.323 20 0 FIADHM CC(C)(C)c1csc(CCNC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000472034704 1121180780 /nfs/dbraw/zinc/18/07/80/1121180780.db2.gz HNEALKFKRPSWQI-UHFFFAOYSA-N -1 3 354.475 4.272 20 0 FIADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000472152805 1121184681 /nfs/dbraw/zinc/18/46/81/1121184681.db2.gz IDNMILBFXZITKF-HXUWFJFHSA-N -1 3 360.457 4.286 20 0 FIADHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000046758208 1121297254 /nfs/dbraw/zinc/29/72/54/1121297254.db2.gz CRQCPIRTEPQWQB-UHFFFAOYSA-N -1 3 354.366 4.046 20 0 FIADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C(C)C)c1 ZINC000032600865 1121337862 /nfs/dbraw/zinc/33/78/62/1121337862.db2.gz RGJSVJIWBSOOMC-UHFFFAOYSA-N -1 3 372.490 4.229 20 0 FIADHM O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1cc(Cl)ccc1[O-] ZINC000057289367 1121363125 /nfs/dbraw/zinc/36/31/25/1121363125.db2.gz XNUFHGCHAHLOPU-UHFFFAOYSA-N -1 3 369.730 4.053 20 0 FIADHM CCc1noc(C)c1C(=O)[N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000057659550 1121376749 /nfs/dbraw/zinc/37/67/49/1121376749.db2.gz IPVBHBCOHRSSLJ-UHFFFAOYSA-N -1 3 372.494 4.117 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1Cl ZINC000061172665 1121509187 /nfs/dbraw/zinc/50/91/87/1121509187.db2.gz QIEHEONXFCVLGA-JTQLQIEISA-N -1 3 361.228 4.326 20 0 FIADHM CC(C)Cc1nc(C(=O)[N-]c2nnc(-c3ccsc3)s2)cs1 ZINC000063597447 1121572027 /nfs/dbraw/zinc/57/20/27/1121572027.db2.gz ZAZWGGLFLZXYGE-UHFFFAOYSA-N -1 3 350.494 4.174 20 0 FIADHM COc1cc(Cl)c(Cl)cc1C(=O)[N-]c1c(C)onc1OC(F)F ZINC001127992915 1121608786 /nfs/dbraw/zinc/60/87/86/1121608786.db2.gz YNAGJORVLVNIGH-UHFFFAOYSA-N -1 3 367.135 4.152 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(-c2ccccn2)ccc1Cl ZINC000123511862 1121609560 /nfs/dbraw/zinc/60/95/60/1121609560.db2.gz UBYPYOGGXREWNB-UHFFFAOYSA-N -1 3 356.784 4.177 20 0 FIADHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1ccncc1F ZINC000123927556 1121646197 /nfs/dbraw/zinc/64/61/97/1121646197.db2.gz IYWYJJINRQSYLV-UHFFFAOYSA-N -1 3 350.305 4.043 20 0 FIADHM Cc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cnn1CCC(C)C ZINC000124077238 1121660707 /nfs/dbraw/zinc/66/07/07/1121660707.db2.gz YKQLSICEKDUCAC-UHFFFAOYSA-N -1 3 355.360 4.214 20 0 FIADHM CCC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000125007583 1121739735 /nfs/dbraw/zinc/73/97/35/1121739735.db2.gz WYEOIPWBAIKIMM-UHFFFAOYSA-N -1 3 364.442 4.040 20 0 FIADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(Br)cc2[O-])s1 ZINC000125977667 1121898398 /nfs/dbraw/zinc/89/83/98/1121898398.db2.gz OFODZAQJNAADON-UHFFFAOYSA-N -1 3 368.252 4.126 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c(C)c1 ZINC000615958062 1121909706 /nfs/dbraw/zinc/90/97/06/1121909706.db2.gz DQURMTDNVCIBFJ-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)cc(Br)cc1F ZINC000127546123 1122114078 /nfs/dbraw/zinc/11/40/78/1122114078.db2.gz CGWIFLZBSQJMKL-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cccc([O-])c3F)c2)no1 ZINC000128369319 1122262732 /nfs/dbraw/zinc/26/27/32/1122262732.db2.gz QRZLDITVCHUPFY-UHFFFAOYSA-N -1 3 369.396 4.422 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000128675155 1122372212 /nfs/dbraw/zinc/37/22/12/1122372212.db2.gz GQIBBJXAIKCAQL-MNOVXSKESA-N -1 3 355.287 4.172 20 0 FIADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC000128695519 1122380098 /nfs/dbraw/zinc/38/00/98/1122380098.db2.gz HCUATDSULHCOTE-JTQLQIEISA-N -1 3 352.203 4.426 20 0 FIADHM Cc1cc(CCC(=O)Nc2cccc([O-])c2F)ccc1Br ZINC000128897874 1122453641 /nfs/dbraw/zinc/45/36/41/1122453641.db2.gz PEZMPQWWSPTVJX-UHFFFAOYSA-N -1 3 352.203 4.174 20 0 FIADHM O=C(CCCc1ccccc1)[N-]OCc1ncc(-c2ccccc2F)o1 ZINC000154544687 1122463619 /nfs/dbraw/zinc/46/36/19/1122463619.db2.gz KQZGKCDWAPQWRW-UHFFFAOYSA-N -1 3 354.381 4.051 20 0 FIADHM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc([O-])c2F)CC1=O ZINC000128989024 1122485043 /nfs/dbraw/zinc/48/50/43/1122485043.db2.gz WNULWYVCKLJEKD-KGLIPLIRSA-N -1 3 370.424 4.036 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000129122052 1122538390 /nfs/dbraw/zinc/53/83/90/1122538390.db2.gz FRSSVQDXTDAZOB-RYUDHWBXSA-N -1 3 350.187 4.036 20 0 FIADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000918164216 1122579160 /nfs/dbraw/zinc/57/91/60/1122579160.db2.gz YQYYDGKZXUUTIV-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693350 1122651510 /nfs/dbraw/zinc/65/15/10/1122651510.db2.gz JYDICGAAYMHMPB-KRWDZBQOSA-N -1 3 374.868 4.137 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3csc(-c4ccc(C)o4)n3)n[n-]2)o1 ZINC000919327214 1122952801 /nfs/dbraw/zinc/95/28/01/1122952801.db2.gz FGWRKGNEDMVGFH-UHFFFAOYSA-N -1 3 369.402 4.360 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3csc(-c4ccc(C)o4)n3)[n-]n2)o1 ZINC000919327214 1122952806 /nfs/dbraw/zinc/95/28/06/1122952806.db2.gz FGWRKGNEDMVGFH-UHFFFAOYSA-N -1 3 369.402 4.360 20 0 FIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000130966416 1122958525 /nfs/dbraw/zinc/95/85/25/1122958525.db2.gz LLSOQQJOSBMFSP-UHFFFAOYSA-N -1 3 373.416 4.100 20 0 FIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000071977269 1122963217 /nfs/dbraw/zinc/96/32/17/1122963217.db2.gz JAXAEGJFOOZZJK-UHFFFAOYSA-N -1 3 359.369 4.293 20 0 FIADHM Cc1ccnc2ccc(C(=O)Nc3ccc(Br)cc3[O-])cc12 ZINC000556782421 1123088343 /nfs/dbraw/zinc/08/83/43/1123088343.db2.gz GSYKDPZZIWWXIA-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000131485061 1123089851 /nfs/dbraw/zinc/08/98/51/1123089851.db2.gz BOXIEBMMSYWKAM-UHFFFAOYSA-N -1 3 364.898 4.045 20 0 FIADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)cc1Cl ZINC000499139640 1123282711 /nfs/dbraw/zinc/28/27/11/1123282711.db2.gz QEPAZYGPSYGLDQ-UHFFFAOYSA-N -1 3 372.827 4.028 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c([O-])c1C ZINC000133190420 1123443724 /nfs/dbraw/zinc/44/37/24/1123443724.db2.gz RRDFFBUGGRYPNG-UHFFFAOYSA-N -1 3 350.374 4.107 20 0 FIADHM O=C([N-][C@@H]1CCCOc2ccc(F)cc21)C(F)(F)c1ccc(F)cc1 ZINC000920844787 1123528658 /nfs/dbraw/zinc/52/86/58/1123528658.db2.gz KGWVNUDKEJFTFB-OAHLLOKOSA-N -1 3 353.315 4.087 20 0 FIADHM CC(C)c1noc2ncc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC000134101519 1123592229 /nfs/dbraw/zinc/59/22/29/1123592229.db2.gz RDXKLNVEQSDCSK-UHFFFAOYSA-N -1 3 365.311 4.323 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1C ZINC000134689691 1123661434 /nfs/dbraw/zinc/66/14/34/1123661434.db2.gz LQSAMBNRJMNBMA-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM CCCc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)[nH]n1 ZINC000135044085 1123710466 /nfs/dbraw/zinc/71/04/66/1123710466.db2.gz PSTQISXOIBVXRO-UHFFFAOYSA-N -1 3 368.673 4.123 20 0 FIADHM CCCCSCCC(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000610090610 1123936915 /nfs/dbraw/zinc/93/69/15/1123936915.db2.gz GUFGEBRJBDLTCT-UHFFFAOYSA-N -1 3 367.902 4.023 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1NCc1cccnc1 ZINC000081945148 1124212965 /nfs/dbraw/zinc/21/29/65/1124212965.db2.gz MAWGSRJVOFHCDS-UHFFFAOYSA-N -1 3 353.809 4.305 20 0 FIADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1c(F)cccc1Cl ZINC000108207208 1124259753 /nfs/dbraw/zinc/25/97/53/1124259753.db2.gz RSPOEJSQGWJIOZ-UHFFFAOYSA-N -1 3 365.792 4.313 20 0 FIADHM CCC[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccc(F)cc1F ZINC000180265233 1124275846 /nfs/dbraw/zinc/27/58/46/1124275846.db2.gz FHWCUANJSDEYOC-GOSISDBHSA-N -1 3 359.372 4.408 20 0 FIADHM Cn1c2ccc(CNC(=O)c3cc([O-])c4ccccc4c3)cc2nc1C1CC1 ZINC000510676064 1124529798 /nfs/dbraw/zinc/52/97/98/1124529798.db2.gz VEIIURMGDJVWGJ-UHFFFAOYSA-N -1 3 371.440 4.240 20 0 FIADHM CCC(CC)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000181099725 1124540673 /nfs/dbraw/zinc/54/06/73/1124540673.db2.gz TZPXDMTVSOGPKZ-INIZCTEOSA-N -1 3 372.856 4.167 20 0 FIADHM O=C(Oc1cc(Cl)cnc1Br)c1cccc(Cl)c1[O-] ZINC001127615308 1124563582 /nfs/dbraw/zinc/56/35/82/1124563582.db2.gz DNAXKGMQFHWZFH-UHFFFAOYSA-N -1 3 362.994 4.076 20 0 FIADHM O=C(CCCc1ncc(-c2ccccc2)o1)[N-]OCc1ccc(F)cc1 ZINC000186461069 1124580814 /nfs/dbraw/zinc/58/08/14/1124580814.db2.gz WWKJHXQTIODTFC-UHFFFAOYSA-N -1 3 354.381 4.051 20 0 FIADHM C[C@H](SCc1ccno1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000073894529 1124738376 /nfs/dbraw/zinc/73/83/76/1124738376.db2.gz VMFLWHZDKSQDKC-VIFPVBQESA-N -1 3 359.432 4.227 20 0 FIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000475904734 1124750816 /nfs/dbraw/zinc/75/08/16/1124750816.db2.gz YQWCTFLEBCVTCF-UHFFFAOYSA-N -1 3 374.853 4.360 20 0 FIADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2c3nsnc3ccc2Cl)s1 ZINC000181262491 1124800527 /nfs/dbraw/zinc/80/05/27/1124800527.db2.gz SADXWSVVQRZFFZ-ZETCQYMHSA-N -1 3 368.871 4.069 20 0 FIADHM COC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccc(F)c(F)c1 ZINC000181427223 1124918428 /nfs/dbraw/zinc/91/84/28/1124918428.db2.gz FGAZULBFYKRWFA-QGZVFWFLSA-N -1 3 369.795 4.004 20 0 FIADHM C[C@@H]1CC(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)C[C@@H](C)C1 ZINC001212450055 1125062166 /nfs/dbraw/zinc/06/21/66/1125062166.db2.gz HWZOXNGVHYKMHD-KBPBESRZSA-N -1 3 364.536 4.161 20 0 FIADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000465975652 1125119534 /nfs/dbraw/zinc/11/95/34/1125119534.db2.gz CERYBEWCLVTXAI-IEBWSBKVSA-N -1 3 356.441 4.317 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1OCc1ccccc1 ZINC001127655174 1125133679 /nfs/dbraw/zinc/13/36/79/1125133679.db2.gz IWEWTQWIJDRYMA-LBPRGKRZSA-N -1 3 355.331 4.343 20 0 FIADHM CCOC(=O)c1noc(Nc2cc(F)cc(F)c2[O-])c1-c1ccccc1 ZINC001212484053 1125352226 /nfs/dbraw/zinc/35/22/26/1125352226.db2.gz HNTQNFCOHWXHLV-UHFFFAOYSA-N -1 3 360.316 4.246 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000108070475 209282519 /nfs/dbraw/zinc/28/25/19/209282519.db2.gz YYRTUBDBWDABIU-UHFFFAOYSA-N -1 3 374.481 4.106 20 0 FIADHM O=S(=O)([N-]Cc1csc(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000004166826 207004990 /nfs/dbraw/zinc/00/49/90/207004990.db2.gz VCKDUKZRSWVGPV-UHFFFAOYSA-N -1 3 370.908 4.004 20 0 FIADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000522758093 568053137 /nfs/dbraw/zinc/05/31/37/568053137.db2.gz GUUOSZNZJKVNGX-ZDUSSCGKSA-N -1 3 360.287 4.119 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc2c(c1)CCC2 ZINC000303207078 568257472 /nfs/dbraw/zinc/25/74/72/568257472.db2.gz PVXYQPNJTGNQAY-UHFFFAOYSA-N -1 3 359.344 4.134 20 0 FIADHM Cc1c(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)oc2ccccc12 ZINC000604405794 568274606 /nfs/dbraw/zinc/27/46/06/568274606.db2.gz LMVJNSPIFWKHGG-UHFFFAOYSA-N -1 3 353.802 4.012 20 0 FIADHM O=C([O-])c1ccc(CN2CCC3(C2)CCCCC3)c(Br)c1 ZINC000314192260 568332300 /nfs/dbraw/zinc/33/23/00/568332300.db2.gz SNZYBBCKNSLIAJ-UHFFFAOYSA-N -1 3 352.272 4.304 20 0 FIADHM Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000518796783 568307729 /nfs/dbraw/zinc/30/77/29/568307729.db2.gz ZROMXEVVGSUUHL-UHFFFAOYSA-N -1 3 361.854 4.091 20 0 FIADHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3cc(Cl)cc(C)c3[O-])cc2)n1 ZINC000604901664 568384869 /nfs/dbraw/zinc/38/48/69/568384869.db2.gz TWSFMOYJMWCFES-UHFFFAOYSA-N -1 3 369.852 4.338 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)Cc2ccc(F)c(Br)c2)c1[O-] ZINC000604901809 568384968 /nfs/dbraw/zinc/38/49/68/568384968.db2.gz PXTWVASSDIIWQY-UHFFFAOYSA-N -1 3 372.621 4.437 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c(C)c1C ZINC000604972110 568464578 /nfs/dbraw/zinc/46/45/78/568464578.db2.gz WEMZGHPQPAIXIR-UHFFFAOYSA-N -1 3 367.442 4.039 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c(C)c1C ZINC000604972415 568464751 /nfs/dbraw/zinc/46/47/51/568464751.db2.gz WNDPPXZYBQSLCU-UHFFFAOYSA-N -1 3 371.405 4.023 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Br)c1 ZINC000028195884 568520550 /nfs/dbraw/zinc/52/05/50/568520550.db2.gz OXLGDFWENLLGAI-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc(Cl)n1 ZINC000182779943 1125624239 /nfs/dbraw/zinc/62/42/39/1125624239.db2.gz MBDQTAPUSPIDEA-NSHDSACASA-N -1 3 368.607 4.003 20 0 FIADHM CC(C)Cc1nnc(NC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)s1 ZINC000182866714 1125664410 /nfs/dbraw/zinc/66/44/10/1125664410.db2.gz ZALUWAQFKUAFFJ-UHFFFAOYSA-N -1 3 374.388 4.009 20 0 FIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000152896718 1125677731 /nfs/dbraw/zinc/67/77/31/1125677731.db2.gz YZOCTXLGTJEPTM-UHFFFAOYSA-N -1 3 357.410 4.299 20 0 FIADHM Cc1ccc2c(c1)[nH]cc2C(=O)Cc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000063580079 1079619944 /nfs/dbraw/zinc/61/99/44/1079619944.db2.gz VUZFFEXEFLKFOZ-UHFFFAOYSA-N -1 3 373.437 4.353 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(C(F)(F)F)c2)cc1 ZINC000683172309 1079806805 /nfs/dbraw/zinc/80/68/05/1079806805.db2.gz WSXWMAGSODGIHC-INIZCTEOSA-N -1 3 353.340 4.020 20 0 FIADHM O=C([O-])c1cccc(CNCc2cccc(OCc3ccccc3F)c2)c1 ZINC000683176944 1079827985 /nfs/dbraw/zinc/82/79/85/1079827985.db2.gz YKQSPLVRGYYJDQ-UHFFFAOYSA-N -1 3 365.404 4.393 20 0 FIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1C ZINC000624684089 1080074742 /nfs/dbraw/zinc/07/47/42/1080074742.db2.gz YVRAFKNIWQNJRM-MRXNPFEDSA-N -1 3 366.461 4.276 20 0 FIADHM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000109191095 1080115607 /nfs/dbraw/zinc/11/56/07/1080115607.db2.gz ISIMCOKANUOYHQ-UHFFFAOYSA-N -1 3 361.401 4.106 20 0 FIADHM COc1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000179449773 1080176263 /nfs/dbraw/zinc/17/62/63/1080176263.db2.gz NIYSMLUUOQILTK-OAHLLOKOSA-N -1 3 361.825 4.040 20 0 FIADHM COc1cc(C(=O)N2CCCCC[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000179486039 1080185197 /nfs/dbraw/zinc/18/51/97/1080185197.db2.gz BDUFAYATDWAJEK-QGZVFWFLSA-N -1 3 355.434 4.167 20 0 FIADHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1NC(=O)OC(C)(C)C ZINC000076824181 1080444238 /nfs/dbraw/zinc/44/42/38/1080444238.db2.gz QBCPLICKLVLMMM-HNNXBMFYSA-N -1 3 351.406 4.227 20 0 FIADHM COc1cc(/C=C/C(=O)c2ccc(O)c(C)c2)cc(Br)c1[O-] ZINC000077166051 1080452194 /nfs/dbraw/zinc/45/21/94/1080452194.db2.gz CVNXPOLMMNNDHB-HWKANZROSA-N -1 3 363.207 4.073 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Br)c(F)cc1F ZINC000430297522 1080457921 /nfs/dbraw/zinc/45/79/21/1080457921.db2.gz FJHNHRXPZKMLOJ-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000471251371 1080587843 /nfs/dbraw/zinc/58/78/43/1080587843.db2.gz QTUVYUHEYSJHKM-UHFFFAOYSA-N -1 3 353.353 4.040 20 0 FIADHM CC(F)(F)c1ccccc1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000655584262 1080940600 /nfs/dbraw/zinc/94/06/00/1080940600.db2.gz XXMACPVNUSHGMB-UHFFFAOYSA-N -1 3 369.433 4.147 20 0 FIADHM CCc1onc(C)c1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000579911061 1080977095 /nfs/dbraw/zinc/97/70/95/1080977095.db2.gz QMSWQSPFAURBIP-CQSZACIVSA-N -1 3 368.462 4.117 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)sc1C ZINC000683562575 1081108626 /nfs/dbraw/zinc/10/86/26/1081108626.db2.gz UWHNADXRYYTUFB-UHFFFAOYSA-N -1 3 350.856 4.184 20 0 FIADHM Cc1sc([C@H]2CCCN2c2ccnc3ccc(C)cc32)nc1C(=O)[O-] ZINC000579958192 1081261914 /nfs/dbraw/zinc/26/19/14/1081261914.db2.gz UPWYJWIBLKNNDR-MRXNPFEDSA-N -1 3 353.447 4.348 20 0 FIADHM COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc([O-])cc(F)c2)cc1 ZINC000471458478 1081340953 /nfs/dbraw/zinc/34/09/53/1081340953.db2.gz ILUKHNJCDNQDLP-HXUWFJFHSA-N -1 3 364.376 4.311 20 0 FIADHM CC(C)(C)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC001648907246 1081362285 /nfs/dbraw/zinc/36/22/85/1081362285.db2.gz SKSYJQMWTVMYRV-OAQYLSRUSA-N -1 3 367.489 4.260 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C/C=C\c3cccc(F)c3)cc2)n1 ZINC000255077604 1081422475 /nfs/dbraw/zinc/42/24/75/1081422475.db2.gz NXLLYGQSKWNOTL-HYXAFXHYSA-N -1 3 363.392 4.339 20 0 FIADHM CCCC[C@@H](CCC)Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000609295958 1081442598 /nfs/dbraw/zinc/44/25/98/1081442598.db2.gz SWVWLJDYJGFPRG-GFCCVEGCSA-N -1 3 363.483 4.276 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000471536731 1081576456 /nfs/dbraw/zinc/57/64/56/1081576456.db2.gz JVGRSXXGEUCGOT-OAQYLSRUSA-N -1 3 373.412 4.122 20 0 FIADHM C[C@H](Oc1ccccc1NC([O-])=NO[C@H]1CCCCO1)c1ccccc1 ZINC000160394127 1081714911 /nfs/dbraw/zinc/71/49/11/1081714911.db2.gz KMTPEIIPDVFUKJ-KXBFYZLASA-N -1 3 356.422 4.406 20 0 FIADHM C[C@H](Oc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1)c1ccccc1 ZINC000160394127 1081714916 /nfs/dbraw/zinc/71/49/16/1081714916.db2.gz KMTPEIIPDVFUKJ-KXBFYZLASA-N -1 3 356.422 4.406 20 0 FIADHM C[C@@H](Oc1ccccc1NC([O-])=NO[C@H]1CCCCO1)c1ccccc1 ZINC000160394244 1081714993 /nfs/dbraw/zinc/71/49/93/1081714993.db2.gz KMTPEIIPDVFUKJ-BEFAXECRSA-N -1 3 356.422 4.406 20 0 FIADHM C[C@@H](Oc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1)c1ccccc1 ZINC000160394244 1081714999 /nfs/dbraw/zinc/71/49/99/1081714999.db2.gz KMTPEIIPDVFUKJ-BEFAXECRSA-N -1 3 356.422 4.406 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2ccc(C)o2)c1 ZINC000122695952 1081908304 /nfs/dbraw/zinc/90/83/04/1081908304.db2.gz UVDXMOFQVYBOPQ-KRWDZBQOSA-N -1 3 356.422 4.010 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ccc(C)o2)c1 ZINC000122696180 1081908347 /nfs/dbraw/zinc/90/83/47/1081908347.db2.gz UVDXMOFQVYBOPQ-QGZVFWFLSA-N -1 3 356.422 4.010 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C3CCC(F)(F)CC3)nc2)n1 ZINC000656229373 1081968516 /nfs/dbraw/zinc/96/85/16/1081968516.db2.gz UWCGSSHCZCAEPU-LBPRGKRZSA-N -1 3 362.424 4.433 20 0 FIADHM C[C@@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001266625774 1082028016 /nfs/dbraw/zinc/02/80/16/1082028016.db2.gz MCNHTTQWNPRFIV-DIFFPNOSSA-N -1 3 351.343 4.496 20 0 FIADHM CCc1oc(C(=O)[O-])cc1CN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000581375127 1082503603 /nfs/dbraw/zinc/50/36/03/1082503603.db2.gz PUVJFVQTBDMQOR-UHFFFAOYSA-N -1 3 363.404 4.273 20 0 FIADHM COc1cnccc1[C@H](C)N[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000188774986 1082559991 /nfs/dbraw/zinc/55/99/91/1082559991.db2.gz GIXNBYSEDUOPKA-VHSXEESVSA-N -1 3 369.234 4.109 20 0 FIADHM C[C@H](Cc1ccccc1Br)NC(=O)c1cc([O-])ccc1Cl ZINC000558544736 1082562705 /nfs/dbraw/zinc/56/27/05/1082562705.db2.gz GTWWSEDTKLGOIG-SNVBAGLBSA-N -1 3 368.658 4.169 20 0 FIADHM Cc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1Cl ZINC000123515647 1082569635 /nfs/dbraw/zinc/56/96/35/1082569635.db2.gz KSFBQDZDYSGKRT-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM Cc1nc2cc(C(=O)Nc3cccc([O-])c3F)ccc2n1-c1ccccc1 ZINC000129250338 1082632640 /nfs/dbraw/zinc/63/26/40/1082632640.db2.gz BACGXVHQNIEWFD-UHFFFAOYSA-N -1 3 361.376 4.431 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Br)c1)N1CCC(C2CCC2)CC1 ZINC000656759283 1082752444 /nfs/dbraw/zinc/75/24/44/1082752444.db2.gz ASSPJQJFVJRDOG-MRXNPFEDSA-N -1 3 352.272 4.087 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2OCC(F)(F)F)[C@@H]2CCCC[C@H]12 ZINC000656763959 1082755627 /nfs/dbraw/zinc/75/56/27/1082755627.db2.gz DHZOSNMGEICTJT-BZUAXINKSA-N -1 3 371.399 4.093 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(Nc3ccccc3)n2)[C@@H]2CCCC[C@H]12 ZINC000656762476 1082755812 /nfs/dbraw/zinc/75/58/12/1082755812.db2.gz BCCDGKAWOSNOGU-KZNAEPCWSA-N -1 3 371.506 4.352 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656766605 1082759069 /nfs/dbraw/zinc/75/90/69/1082759069.db2.gz ANBGPCRYQLIWOO-DOTOQJQBSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656768910 1082762095 /nfs/dbraw/zinc/76/20/95/1082762095.db2.gz OHXHWARZMVXYHV-MJEQTWJJSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000656770043 1082762137 /nfs/dbraw/zinc/76/21/37/1082762137.db2.gz VZWALPFPOWPCEN-IAGOWNOFSA-N -1 3 372.292 4.400 20 0 FIADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(F)c(Cl)c1 ZINC000127276475 1082860933 /nfs/dbraw/zinc/86/09/33/1082860933.db2.gz CSBUMJQMRGCSNY-UHFFFAOYSA-N -1 3 372.824 4.019 20 0 FIADHM CC[C@@H](C)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nc2ccccc2[nH]1 ZINC000581755299 1082870036 /nfs/dbraw/zinc/87/00/36/1082870036.db2.gz FRVLFFTUPGWGCT-DIFFPNOSSA-N -1 3 357.841 4.439 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000471739243 1082936128 /nfs/dbraw/zinc/93/61/28/1082936128.db2.gz UGCYDKZJNXGURE-KRWDZBQOSA-N -1 3 373.865 4.091 20 0 FIADHM CCO[C@@H]1C[C@@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1(CC)CC ZINC000564462118 1082953155 /nfs/dbraw/zinc/95/31/55/1082953155.db2.gz MGDJNLJJSHYMFE-IAGOWNOFSA-N -1 3 353.890 4.454 20 0 FIADHM CC(C)[C@H](NC(=O)NCc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000471822999 1083063377 /nfs/dbraw/zinc/06/33/77/1083063377.db2.gz CECISLTWQPAODI-INIZCTEOSA-N -1 3 367.371 4.003 20 0 FIADHM Cc1c2ccccc2oc1[C@H](NC(=O)NCc1ncccc1[O-])C(C)C ZINC000471847268 1083102025 /nfs/dbraw/zinc/10/20/25/1083102025.db2.gz OHYMWYACSCMLBF-GOSISDBHSA-N -1 3 353.422 4.038 20 0 FIADHM Cc1c2ccccc2oc1[C@@H](NC(=O)NCc1ncccc1[O-])C(C)C ZINC000471847269 1083102487 /nfs/dbraw/zinc/10/24/87/1083102487.db2.gz OHYMWYACSCMLBF-SFHVURJKSA-N -1 3 353.422 4.038 20 0 FIADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(Cl)cc2Cl)no1 ZINC000430976791 1083280164 /nfs/dbraw/zinc/28/01/64/1083280164.db2.gz IOGOOXGWTIZBTP-UHFFFAOYSA-N -1 3 363.266 4.221 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@H](CC(C)(C)C)C(=O)[O-])cs2)cc1 ZINC000426777287 1083450033 /nfs/dbraw/zinc/45/00/33/1083450033.db2.gz MDWYEBXUFFAMCL-MRXNPFEDSA-N -1 3 362.495 4.010 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3csc(C(C)(C)C)n3)s2)cc1 ZINC000535682791 1083574313 /nfs/dbraw/zinc/57/43/13/1083574313.db2.gz ZVSLTZUUQUDFHB-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM Cc1cc(C)cc(CNC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001167688352 1083692708 /nfs/dbraw/zinc/69/27/08/1083692708.db2.gz ALZYDBAGWCWYPE-UHFFFAOYSA-N -1 3 361.467 4.037 20 0 FIADHM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1cc([O-])ccc1Cl ZINC000511363017 1083988239 /nfs/dbraw/zinc/98/82/39/1083988239.db2.gz QMIGDBGJJZDADC-UHFFFAOYSA-N -1 3 354.208 4.456 20 0 FIADHM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000472000891 1084007772 /nfs/dbraw/zinc/00/77/72/1084007772.db2.gz FTFGPBPDLAVZMW-UHFFFAOYSA-N -1 3 359.491 4.498 20 0 FIADHM Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000685798380 1084010226 /nfs/dbraw/zinc/01/02/26/1084010226.db2.gz XWUHHWYSQNPGGG-CQSZACIVSA-N -1 3 369.852 4.009 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@@H](CC(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000277200755 1084010167 /nfs/dbraw/zinc/01/01/67/1084010167.db2.gz GMZUTBVDFUCUIV-INIZCTEOSA-N -1 3 362.495 4.010 20 0 FIADHM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cc([O-])ccc1Cl ZINC000431325967 1084367606 /nfs/dbraw/zinc/36/76/06/1084367606.db2.gz LCXXLZKQXACNTE-UHFFFAOYSA-N -1 3 362.813 4.484 20 0 FIADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@@H](C)CCCC(=O)[O-] ZINC000277401653 1084413349 /nfs/dbraw/zinc/41/33/49/1084413349.db2.gz RXWPDULJIORZJE-AWEZNQCLSA-N -1 3 363.889 4.382 20 0 FIADHM O=C(Nc1ncccc1[O-])[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000544024484 1084574650 /nfs/dbraw/zinc/57/46/50/1084574650.db2.gz FNTVNDDUYIQMST-CHWSQXEVSA-N -1 3 351.431 4.085 20 0 FIADHM [O-]c1cccc(CN2CC[C@H](c3cccc(F)c3)C2)c1Br ZINC001140550073 1084581379 /nfs/dbraw/zinc/58/13/79/1084581379.db2.gz CVKKPNUKHYTBEN-ZDUSSCGKSA-N -1 3 350.231 4.283 20 0 FIADHM O=C(Cc1cccc(OC(F)F)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134147333 1084915641 /nfs/dbraw/zinc/91/56/41/1084915641.db2.gz WSOGUJLHJAOZMT-UHFFFAOYSA-N -1 3 361.266 4.194 20 0 FIADHM CCc1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1ccc(Cl)cc1 ZINC000186278415 1085062491 /nfs/dbraw/zinc/06/24/91/1085062491.db2.gz JVDOMNHOWAELHO-UHFFFAOYSA-N -1 3 359.788 4.185 20 0 FIADHM Cc1ncsc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000277651815 1085075687 /nfs/dbraw/zinc/07/56/87/1085075687.db2.gz SPSLHVSJHJMFDL-CYBMUJFWSA-N -1 3 356.476 4.024 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc3ccccc3c(C)c2Cl)n1 ZINC000660744772 1085245877 /nfs/dbraw/zinc/24/58/77/1085245877.db2.gz MZJLQQYOCKNWHN-UHFFFAOYSA-N -1 3 356.857 4.026 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(OCc3ccccc3)c2)n1 ZINC000660746322 1085249187 /nfs/dbraw/zinc/24/91/87/1085249187.db2.gz KONAEPHPBRPJCR-UHFFFAOYSA-N -1 3 363.461 4.095 20 0 FIADHM Fc1ccccc1[N-]c1nnc(SCc2cn3ccsc3n2)s1 ZINC000115564015 1085287858 /nfs/dbraw/zinc/28/78/58/1085287858.db2.gz CVDHULHHVMOBGA-UHFFFAOYSA-N -1 3 363.468 4.422 20 0 FIADHM CCc1cccc(C(=O)N2Cc3ccc(C)c(Br)c3C2)c1[O-] ZINC001167774853 1085362836 /nfs/dbraw/zinc/36/28/36/1085362836.db2.gz HFRZNSHGNJZIPX-UHFFFAOYSA-N -1 3 360.251 4.182 20 0 FIADHM Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810631 1085535047 /nfs/dbraw/zinc/53/50/47/1085535047.db2.gz WXYQNRRKLQERIO-SNVBAGLBSA-N -1 3 355.221 4.122 20 0 FIADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000473127276 1085702255 /nfs/dbraw/zinc/70/22/55/1085702255.db2.gz ODBMITIAKFUFSB-QGZVFWFLSA-N -1 3 355.331 4.124 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCC(F)(F)CC1 ZINC000628025027 1085789154 /nfs/dbraw/zinc/78/91/54/1085789154.db2.gz LRCQGAQZRNTHMF-SECBINFHSA-N -1 3 362.214 4.099 20 0 FIADHM Cc1cc([C@H](C)N2CCC(OCCc3ccccc3)CC2)oc1C(=O)[O-] ZINC000652398764 1085993983 /nfs/dbraw/zinc/99/39/83/1085993983.db2.gz ZXKRIOKUCDYIJP-INIZCTEOSA-N -1 3 357.450 4.071 20 0 FIADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000652416471 1086024525 /nfs/dbraw/zinc/02/45/25/1086024525.db2.gz HOPNASDZAPYFBT-JKSUJKDBSA-N -1 3 358.265 4.010 20 0 FIADHM Cc1cc([C@@H](C)N2CCC(OCc3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000652434716 1086043483 /nfs/dbraw/zinc/04/34/83/1086043483.db2.gz DWMODNVJDNONHB-CQSZACIVSA-N -1 3 361.413 4.168 20 0 FIADHM O=C([O-])[C@@H](c1ccccc1)N1CCC(c2ccccc2Br)CC1 ZINC000652437260 1086047110 /nfs/dbraw/zinc/04/71/10/1086047110.db2.gz GUPCIJNYKVEMHS-GOSISDBHSA-N -1 3 374.278 4.454 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C(C)C)c2)cc1OC ZINC000663260247 1086341137 /nfs/dbraw/zinc/34/11/37/1086341137.db2.gz QLMDDSBAPOOKLN-GOSISDBHSA-N -1 3 357.450 4.133 20 0 FIADHM Cc1ccc(CS(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1F ZINC000432349713 1086646213 /nfs/dbraw/zinc/64/62/13/1086646213.db2.gz AIEOAUQDPTWXLB-UHFFFAOYSA-N -1 3 356.422 4.138 20 0 FIADHM Cc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3Br)no2)n1 ZINC001213697812 1086720276 /nfs/dbraw/zinc/72/02/76/1086720276.db2.gz FELWYQLNDXXEBV-UHFFFAOYSA-N -1 3 366.602 4.229 20 0 FIADHM CCCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H](CC)c1ccccc1 ZINC000512108586 1086775285 /nfs/dbraw/zinc/77/52/85/1086775285.db2.gz WUWIJPMMSQUAGI-GOSISDBHSA-N -1 3 366.465 4.068 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000432476930 1086820483 /nfs/dbraw/zinc/82/04/83/1086820483.db2.gz LBEPOCIVFUQDBY-KRWDZBQOSA-N -1 3 364.367 4.246 20 0 FIADHM Cc1cc(Cl)c(C(=O)NCc2ccc([O-])c(Br)c2)cc1C ZINC000512144073 1086825932 /nfs/dbraw/zinc/82/59/32/1086825932.db2.gz FAKBZZQCCKXRPD-UHFFFAOYSA-N -1 3 368.658 4.355 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)s1 ZINC000512143412 1086832535 /nfs/dbraw/zinc/83/25/35/1086832535.db2.gz QYKDPOMMHUBWNL-JTQLQIEISA-N -1 3 351.827 4.109 20 0 FIADHM COc1cccc(C2(F)CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c1 ZINC000512167625 1086868264 /nfs/dbraw/zinc/86/82/64/1086868264.db2.gz XOKCNEUIKNTLPC-UHFFFAOYSA-N -1 3 363.816 4.155 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC2(CCC(O)CC2)CC1 ZINC000583883964 1087014062 /nfs/dbraw/zinc/01/40/62/1087014062.db2.gz PJTNLNQENXYKMN-MRXNPFEDSA-N -1 3 372.292 4.136 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccccc1Cl)C1CCCC1 ZINC000584002507 1087094639 /nfs/dbraw/zinc/09/46/39/1087094639.db2.gz CSSYWZJZOXZARC-UHFFFAOYSA-N -1 3 371.868 4.298 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000132948133 1087112563 /nfs/dbraw/zinc/11/25/63/1087112563.db2.gz VNOURSNXQBFGQW-VXGBXAGGSA-N -1 3 354.208 4.258 20 0 FIADHM Cc1ccc(Cc2nc(C(=O)[N-]c3nnc(C4CC4)s3)cs2)cc1 ZINC000133319578 1087141487 /nfs/dbraw/zinc/14/14/87/1087141487.db2.gz KGUYOBPBUYTHKZ-UHFFFAOYSA-N -1 3 356.476 4.024 20 0 FIADHM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584063338 1087149249 /nfs/dbraw/zinc/14/92/49/1087149249.db2.gz NVWUYQTZCBPWAW-UHFFFAOYSA-N -1 3 371.868 4.322 20 0 FIADHM O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134219859 1087195973 /nfs/dbraw/zinc/19/59/73/1087195973.db2.gz LOHUBQPLRWGMJJ-UHFFFAOYSA-N -1 3 355.287 4.152 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)c1[O-] ZINC000584377939 1087301286 /nfs/dbraw/zinc/30/12/86/1087301286.db2.gz NEPJQSVENLVYAK-ZDUSSCGKSA-N -1 3 353.418 4.176 20 0 FIADHM CCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1[O-] ZINC000081934725 1087337624 /nfs/dbraw/zinc/33/76/24/1087337624.db2.gz ULOUNXFVSLOJPW-UHFFFAOYSA-N -1 3 350.374 4.052 20 0 FIADHM O=C(Nc1ccccc1)[C@H]([N-]c1nc(C2CC2)ns1)c1ccccc1 ZINC000092621004 1087447266 /nfs/dbraw/zinc/44/72/66/1087447266.db2.gz QEGVAKSRIQWZNP-MRXNPFEDSA-N -1 3 350.447 4.207 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCc4ccc(F)cc43)nc2)n1 ZINC000092976571 1087450485 /nfs/dbraw/zinc/45/04/85/1087450485.db2.gz XAABIAKJTSJDFT-GOSISDBHSA-N -1 3 364.424 4.023 20 0 FIADHM CCO[C@H](CC)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093094749 1087451722 /nfs/dbraw/zinc/45/17/22/1087451722.db2.gz WWEJHXMIZBFDOT-MRXNPFEDSA-N -1 3 356.447 4.423 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CCCc4ccccc43)cc2)n1 ZINC000170990728 1087461365 /nfs/dbraw/zinc/46/13/65/1087461365.db2.gz SKZABTKMBVNCHY-GOSISDBHSA-N -1 3 373.456 4.194 20 0 FIADHM CC(F)(F)c1ccccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000424071555 1087746794 /nfs/dbraw/zinc/74/67/94/1087746794.db2.gz USARMGJUZPTWQA-UHFFFAOYSA-N -1 3 359.825 4.436 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SCC)c2)c(C)c1 ZINC000505293141 1088327090 /nfs/dbraw/zinc/32/70/90/1088327090.db2.gz DZOGQLPKRWTCBS-UHFFFAOYSA-N -1 3 351.493 4.307 20 0 FIADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1ncccc1Cl ZINC000505296053 1088329584 /nfs/dbraw/zinc/32/95/84/1088329584.db2.gz PLAJSKRYXZFWAP-UHFFFAOYSA-N -1 3 356.794 4.252 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)cs1 ZINC000031545898 1088586730 /nfs/dbraw/zinc/58/67/30/1088586730.db2.gz XAQLGLYFMMGHTA-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM Cc1ccc([C@@H]2C[C@@H](C)N(Cn3[n-]c(-c4ccccn4)nc3=S)C2)cc1 ZINC000782954310 1088735385 /nfs/dbraw/zinc/73/53/85/1088735385.db2.gz MUQWHTRTXUEKNX-NVXWUHKLSA-N -1 3 365.506 4.147 20 0 FIADHM COc1cc(Cl)cc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211646849 1088741492 /nfs/dbraw/zinc/74/14/92/1088741492.db2.gz BBCRMSAVVSACQA-UHFFFAOYSA-N -1 3 363.200 4.477 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(Cc1ccncc1)C1CC1 ZINC000179460969 1088753634 /nfs/dbraw/zinc/75/36/34/1088753634.db2.gz LDBKBAGXHYLION-UHFFFAOYSA-N -1 3 360.413 4.384 20 0 FIADHM COc1cc(F)c(F)cc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647519 1088769386 /nfs/dbraw/zinc/76/93/86/1088769386.db2.gz TUBVENBIIWMBDK-UHFFFAOYSA-N -1 3 364.735 4.102 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(C(F)(F)F)nc2)no1)c1ccccc1Cl ZINC001211647507 1088769508 /nfs/dbraw/zinc/76/95/08/1088769508.db2.gz SRUPZTRSORFCON-UHFFFAOYSA-N -1 3 367.714 4.229 20 0 FIADHM O=C([O-])c1ccc(CN2CCSC3(CCC3)CC2)c(Br)c1 ZINC000659796224 1088872749 /nfs/dbraw/zinc/87/27/49/1088872749.db2.gz GORBGZYTTBVCLA-UHFFFAOYSA-N -1 3 370.312 4.009 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000514202463 1088882691 /nfs/dbraw/zinc/88/26/91/1088882691.db2.gz YJVHVVXKCMLZJB-INIZCTEOSA-N -1 3 373.390 4.435 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659805645 1088892888 /nfs/dbraw/zinc/89/28/88/1088892888.db2.gz WTBIDWQAGBADCM-RYQLBKOJSA-N -1 3 370.276 4.012 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659805089 1088895247 /nfs/dbraw/zinc/89/52/47/1088895247.db2.gz LESFLKKMRHEBCK-NXHRZFHOSA-N -1 3 370.276 4.012 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(Br)c1 ZINC000514820296 1089498813 /nfs/dbraw/zinc/49/88/13/1089498813.db2.gz IFVRZOIWFVXOEW-UHFFFAOYSA-N -1 3 371.028 4.170 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)c(OC)c(OC)c2)CC)n1 ZINC000435340125 1089548169 /nfs/dbraw/zinc/54/81/69/1089548169.db2.gz CNUYYYBVCFDMNS-JYRVWZFOSA-N -1 3 362.857 4.344 20 0 FIADHM O=C(CCc1cc2ccccc2o1)Nc1ccc(Br)cc1[O-] ZINC000515078359 1089757601 /nfs/dbraw/zinc/75/76/01/1089757601.db2.gz YCQRTBBJMPIHHM-UHFFFAOYSA-N -1 3 360.207 4.472 20 0 FIADHM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc([O-])ccc1Cl ZINC000378135285 1090142469 /nfs/dbraw/zinc/14/24/69/1090142469.db2.gz KQNMKDHBDKUPKO-KRWDZBQOSA-N -1 3 359.857 4.165 20 0 FIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cn(-c2ccccc2Cl)nn1 ZINC000180339036 1090192056 /nfs/dbraw/zinc/19/20/56/1090192056.db2.gz WXKQNKCJEWSGJI-UHFFFAOYSA-N -1 3 369.158 4.105 20 0 FIADHM Cc1ccc(SC2CCCC2)c(C(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC000893207931 1090304596 /nfs/dbraw/zinc/30/45/96/1090304596.db2.gz XNLDDPPAYJVIFW-UHFFFAOYSA-N -1 3 369.490 4.118 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3[O-])on2)cc1 ZINC000613705470 1090357721 /nfs/dbraw/zinc/35/77/21/1090357721.db2.gz IEFQIDBMJSCCQC-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM COc1ccc(N[C@@H]2C[C@@H](C)c3c2cccc3C)cc1[N-]S(C)(=O)=O ZINC000182733929 1090370594 /nfs/dbraw/zinc/37/05/94/1090370594.db2.gz BEDDVKWUTNFFOT-CZUORRHYSA-N -1 3 360.479 4.036 20 0 FIADHM Cc1ccnc(Oc2cc(NCc3cc(=O)[n-]c(C4CC4)n3)ccc2C)c1 ZINC000417032573 1090636514 /nfs/dbraw/zinc/63/65/14/1090636514.db2.gz QDNSUBDJVOHQNB-UHFFFAOYSA-N -1 3 362.433 4.476 20 0 FIADHM CCC(C)(C)c1ccc(C[S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000417190239 1090739945 /nfs/dbraw/zinc/73/99/45/1090739945.db2.gz ZSZGIFMPXOHNPZ-VWLOTQADSA-N -1 3 358.507 4.196 20 0 FIADHM CC1(C)CCC(O)(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001167744530 1090932950 /nfs/dbraw/zinc/93/29/50/1090932950.db2.gz HMEMGMLDGILEGY-UHFFFAOYSA-N -1 3 367.489 4.044 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@@H](CCC(=O)[O-])c3ccccc3)s2)o1 ZINC000417590410 1090934521 /nfs/dbraw/zinc/93/45/21/1090934521.db2.gz BPOLYLMGPGIDOW-INIZCTEOSA-N -1 3 356.447 4.407 20 0 FIADHM C[C@@H](OC(C)(C)C)[C@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000417592212 1090935228 /nfs/dbraw/zinc/93/52/28/1090935228.db2.gz YDZSWYPHMKUWKE-RNCFNFMXSA-N -1 3 367.795 4.105 20 0 FIADHM O=C([O-])[C@H](CC1CC1)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000417609807 1090938408 /nfs/dbraw/zinc/93/84/08/1090938408.db2.gz RLRGZGDJLDWXKG-AWEZNQCLSA-N -1 3 370.396 4.172 20 0 FIADHM O=C([O-])CC[C@H]1CCCC[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000417622708 1090942034 /nfs/dbraw/zinc/94/20/34/1090942034.db2.gz IONVXHOXSQWLRI-CRAIPNDOSA-N -1 3 374.506 4.235 20 0 FIADHM O=C([O-])C[C@@H](CNCc1ccc(-c2ccccc2)cc1F)C(F)(F)F ZINC000417623596 1090942461 /nfs/dbraw/zinc/94/24/61/1090942461.db2.gz JWYBLKXGMCOJFI-HNNXBMFYSA-N -1 3 355.331 4.236 20 0 FIADHM CC[C@H](CCC(=O)[O-])NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000417615132 1090944302 /nfs/dbraw/zinc/94/43/02/1090944302.db2.gz CEFPHLNKCXNGQC-CYBMUJFWSA-N -1 3 368.886 4.109 20 0 FIADHM COc1ccc2oc(C)c(C([O-])=C(C#N)c3nc4ccccc4n3C)c2c1 ZINC000123024526 1090981804 /nfs/dbraw/zinc/98/18/04/1090981804.db2.gz ZORVGTFWZIAHPK-HNNXBMFYSA-N -1 3 359.385 4.127 20 0 FIADHM COc1cc(F)c([C@@H](C)NCc2c([O-])ccc(Cl)c2F)cc1OC ZINC000191056472 1091045861 /nfs/dbraw/zinc/04/58/61/1091045861.db2.gz XDUXKEJTIVVCQD-SECBINFHSA-N -1 3 357.784 4.192 20 0 FIADHM Cc1ccc(Sc2ncccc2C(=O)Nc2ncccc2[O-])cc1C ZINC000500246449 1091141755 /nfs/dbraw/zinc/14/17/55/1091141755.db2.gz VCKVKXQDCFYMLT-UHFFFAOYSA-N -1 3 351.431 4.203 20 0 FIADHM Cc1c([O-])ccc2c(CNc3ccc(NC(=O)C(C)C)cc3)cc(=O)oc12 ZINC000025426818 1091177966 /nfs/dbraw/zinc/17/79/66/1091177966.db2.gz UHQVZGFQKPTZMJ-UHFFFAOYSA-N -1 3 366.417 4.014 20 0 FIADHM O=S(=O)([N-]Cc1ccsc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500395307 1091417055 /nfs/dbraw/zinc/41/70/55/1091417055.db2.gz GPKOMJJBLQEHRP-UHFFFAOYSA-N -1 3 370.908 4.004 20 0 FIADHM Cc1cc(-c2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)c(C)o1 ZINC000468808331 1091685793 /nfs/dbraw/zinc/68/57/93/1091685793.db2.gz CHWHGGIZRHYRSU-UHFFFAOYSA-N -1 3 366.402 4.322 20 0 FIADHM CCCCCc1nnc([N-]C(=O)c2oc3ccccc3c2COC)s1 ZINC000021363108 1091828316 /nfs/dbraw/zinc/82/83/16/1091828316.db2.gz DFMZDRNUXGVDOT-UHFFFAOYSA-N -1 3 359.451 4.416 20 0 FIADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000279356891 1091882619 /nfs/dbraw/zinc/88/26/19/1091882619.db2.gz GPERIQBJRXDTCW-UHFFFAOYSA-N -1 3 360.414 4.325 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)c([O-])c1 ZINC000279539551 1091923780 /nfs/dbraw/zinc/92/37/80/1091923780.db2.gz NZAPLZJHCBLSBX-UHFFFAOYSA-N -1 3 367.493 4.068 20 0 FIADHM COc1ccc(CN(Cc2cccc([O-])c2Cl)[C@H](CO)C(C)C)cc1 ZINC000512245224 1091955751 /nfs/dbraw/zinc/95/57/51/1091955751.db2.gz QOYGAJPGYSINJU-GOSISDBHSA-N -1 3 363.885 4.073 20 0 FIADHM O=C(CCCSc1ccc(Cl)cc1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512315600 1092034004 /nfs/dbraw/zinc/03/40/04/1092034004.db2.gz YENFZBNNGRCDRU-UHFFFAOYSA-N -1 3 372.881 4.058 20 0 FIADHM CC[C@@H](Sc1ncc(C(=O)OC)[n-]1)c1ccc(Br)cc1 ZINC000432665720 1092041828 /nfs/dbraw/zinc/04/18/28/1092041828.db2.gz IJVJRWWGNBFYSF-GFCCVEGCSA-N -1 3 355.257 4.202 20 0 FIADHM CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000432707484 1092164197 /nfs/dbraw/zinc/16/41/97/1092164197.db2.gz LJWRKZDWJMIYNU-RMKNXTFCSA-N -1 3 353.205 4.226 20 0 FIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000432773174 1092311335 /nfs/dbraw/zinc/31/13/35/1092311335.db2.gz CEBYNXZEKSSVOZ-UHFFFAOYSA-N -1 3 372.412 4.048 20 0 FIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)c2ccccc12 ZINC000182419876 1092315232 /nfs/dbraw/zinc/31/52/32/1092315232.db2.gz JUBVCGRKEKLPTA-UHFFFAOYSA-N -1 3 372.421 4.047 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2Br)c1F ZINC000709843336 1092436691 /nfs/dbraw/zinc/43/66/91/1092436691.db2.gz ZPVLWQXMPWEBSF-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CC(C)Cc1nc(C(=O)Nc2ccc(Br)cc2[O-])cs1 ZINC000521168046 1092545651 /nfs/dbraw/zinc/54/56/51/1092545651.db2.gz HHHHCHNGPATBQC-UHFFFAOYSA-N -1 3 355.257 4.062 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3c4ccccc4C[C@H]3C)cc2)cc(=O)[n-]1 ZINC000521175706 1092551380 /nfs/dbraw/zinc/55/13/80/1092551380.db2.gz QBKFGXALBSSPSW-LRTDBIEQSA-N -1 3 374.444 4.213 20 0 FIADHM O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000521270849 1092613254 /nfs/dbraw/zinc/61/32/54/1092613254.db2.gz VXQXFPUNEAFRKT-GDBMZVCRSA-N -1 3 371.868 4.169 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Br)s1)c1ccccc1 ZINC000426722922 1092625838 /nfs/dbraw/zinc/62/58/38/1092625838.db2.gz JJGKILCTOXGJFL-YGRLFVJLSA-N -1 3 354.269 4.062 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Br)s1)c1ccccc1 ZINC000426722919 1092626051 /nfs/dbraw/zinc/62/60/51/1092626051.db2.gz JJGKILCTOXGJFL-QMTHXVAHSA-N -1 3 354.269 4.062 20 0 FIADHM CC[C@@H](c1ccccc1OC)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000521600941 1092779512 /nfs/dbraw/zinc/77/95/12/1092779512.db2.gz QUFZQLCBGIZSND-SFHVURJKSA-N -1 3 359.441 4.472 20 0 FIADHM CCCN1Cc2cccc(NC(=O)c3cc(Cl)c([O-])c(OC)c3)c2C1 ZINC000442958919 1092887249 /nfs/dbraw/zinc/88/72/49/1092887249.db2.gz CZGJIEYPQBEQCN-UHFFFAOYSA-N -1 3 360.841 4.032 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)[n-]1 ZINC000432889646 1092906230 /nfs/dbraw/zinc/90/62/30/1092906230.db2.gz HSKJMXIYJKUQIP-UHFFFAOYSA-N -1 3 362.813 4.028 20 0 FIADHM COc1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)cc(Cl)c1[O-] ZINC000443051193 1092929064 /nfs/dbraw/zinc/92/90/64/1092929064.db2.gz OLUUXOSPUGJISL-UHFFFAOYSA-N -1 3 374.868 4.278 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(Cl)cc1F ZINC000152080334 1092935265 /nfs/dbraw/zinc/93/52/65/1092935265.db2.gz STKCXFLUHIHNFX-UHFFFAOYSA-N -1 3 373.609 4.269 20 0 FIADHM c1[n-][nH]c2ncnc(=N[C@@H](c3ccccc3)c3ccc4ccccc4c3)c1-2 ZINC000521883324 1092958580 /nfs/dbraw/zinc/95/85/80/1092958580.db2.gz USJDQYRZUNFCTF-FQEVSTJZSA-N -1 3 351.413 4.081 20 0 FIADHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)C[C@H]3CCCCO3)ccc21 ZINC000521919209 1092972208 /nfs/dbraw/zinc/97/22/08/1092972208.db2.gz QWWFXXZHUDKBTR-MRXNPFEDSA-N -1 3 372.490 4.125 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccc(-c4csc(C)n4)cc3)n[n-]2)o1 ZINC000443317816 1093050852 /nfs/dbraw/zinc/05/08/52/1093050852.db2.gz YVDCNMQTNIUEND-UHFFFAOYSA-N -1 3 365.418 4.057 20 0 FIADHM Cc1cccc2sc(C(=O)[N-]c3n[nH]c(-c4ccncc4)n3)c(Cl)c21 ZINC000645014296 1093072566 /nfs/dbraw/zinc/07/25/66/1093072566.db2.gz ULQDYBPKSLHKJM-UHFFFAOYSA-N -1 3 369.837 4.296 20 0 FIADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000191171322 1093086413 /nfs/dbraw/zinc/08/64/13/1093086413.db2.gz MGLXTKLVFDYGGH-UHFFFAOYSA-N -1 3 355.868 4.065 20 0 FIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000433128104 1093311098 /nfs/dbraw/zinc/31/10/98/1093311098.db2.gz KNWWHDVEASSZBB-UHFFFAOYSA-N -1 3 365.760 4.190 20 0 FIADHM Cc1csc(N(C)C(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000094126582 1093313423 /nfs/dbraw/zinc/31/34/23/1093313423.db2.gz NLAGCUOEGXWRAL-UHFFFAOYSA-N -1 3 354.431 4.013 20 0 FIADHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000512778905 1093320811 /nfs/dbraw/zinc/32/08/11/1093320811.db2.gz LMZPFJIWHROFDC-JTQLQIEISA-N -1 3 362.253 4.215 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(CN(C)C)c1 ZINC000114054124 1093529950 /nfs/dbraw/zinc/52/99/50/1093529950.db2.gz IXENNAUDACOXCT-UHFFFAOYSA-N -1 3 373.305 4.164 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(-c2cccnc2)cc1 ZINC000474219419 1093594576 /nfs/dbraw/zinc/59/45/76/1093594576.db2.gz KYRCPXLYHPZUIA-ZDUSSCGKSA-N -1 3 374.412 4.066 20 0 FIADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1ncccc1Cl ZINC000509870620 1093654862 /nfs/dbraw/zinc/65/48/62/1093654862.db2.gz NGXPBQFAZDBAOD-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](CC)Cc3ccccc3)nc2)n1 ZINC000433391815 1093659533 /nfs/dbraw/zinc/65/95/33/1093659533.db2.gz XKJLEXMODQIFSO-LJQANCHMSA-N -1 3 362.477 4.264 20 0 FIADHM CC(C)c1nc(CSc2nnc([N-]c3ccccc3F)s2)no1 ZINC000052888513 1093677009 /nfs/dbraw/zinc/67/70/09/1093677009.db2.gz HWLHTKYBQQDDHI-UHFFFAOYSA-N -1 3 351.432 4.220 20 0 FIADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(C(F)(F)F)cc1 ZINC000513044932 1093689980 /nfs/dbraw/zinc/68/99/80/1093689980.db2.gz AHPFAHMUZBEDEZ-JTQLQIEISA-N -1 3 364.327 4.216 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H]3CCCC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000509898714 1093694221 /nfs/dbraw/zinc/69/42/21/1093694221.db2.gz MKCPXBPSKKLDAV-ACJLOTCBSA-N -1 3 354.454 4.200 20 0 FIADHM CCc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000474366884 1093720965 /nfs/dbraw/zinc/72/09/65/1093720965.db2.gz GDUAVQZWTINQPE-UHFFFAOYSA-N -1 3 359.788 4.185 20 0 FIADHM O=C([O-])C1CCC(NCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000576327759 1093740931 /nfs/dbraw/zinc/74/09/31/1093740931.db2.gz QKDMCJVYGYLETE-UHFFFAOYSA-N -1 3 350.871 4.197 20 0 FIADHM CC[C@@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)OC ZINC000419355520 1093744299 /nfs/dbraw/zinc/74/42/99/1093744299.db2.gz LYPGPCIDOWSWBB-JTQLQIEISA-N -1 3 350.465 4.315 20 0 FIADHM COCc1c(C(=O)[N-]c2nnc(C3CC3)s2)sc2cccc(F)c21 ZINC000025444743 1093821750 /nfs/dbraw/zinc/82/17/50/1093821750.db2.gz OXRZHKMJHBCWPO-UHFFFAOYSA-N -1 3 363.439 4.168 20 0 FIADHM Cc1nocc1S(=O)(=O)[N-][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001211828888 1093876794 /nfs/dbraw/zinc/87/67/94/1093876794.db2.gz GRUFNWAZJSXDOQ-CVEARBPZSA-N -1 3 368.886 4.031 20 0 FIADHM CSc1nc(NC(=O)C=Cc2cc(C)n(C3CCCCC3)c2C)n[n-]1 ZINC000729352244 1093969936 /nfs/dbraw/zinc/96/99/36/1093969936.db2.gz NHZNDNRUXSCFNC-MDZDMXLPSA-N -1 3 359.499 4.102 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(F)c(C)c3)nc2)n1 ZINC000433653734 1094036034 /nfs/dbraw/zinc/03/60/34/1094036034.db2.gz MUOKKMPVNLFBNT-CYBMUJFWSA-N -1 3 352.413 4.427 20 0 FIADHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000262101075 1094062422 /nfs/dbraw/zinc/06/24/22/1094062422.db2.gz HLOQXYYWBLOLSF-SCLBCKFNSA-N -1 3 362.882 4.150 20 0 FIADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccnc1 ZINC000433740380 1094078291 /nfs/dbraw/zinc/07/82/91/1094078291.db2.gz BAIJVCZTAFQUQK-CQSZACIVSA-N -1 3 373.305 4.107 20 0 FIADHM Cc1ccc([O-])c(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)n1 ZINC000513447915 1094135180 /nfs/dbraw/zinc/13/51/80/1094135180.db2.gz QECWNWQXKLOILT-QGZVFWFLSA-N -1 3 371.239 4.115 20 0 FIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(-c2ccc(C)cc2)nn1 ZINC000513498941 1094171889 /nfs/dbraw/zinc/17/18/89/1094171889.db2.gz CTOGKEZLVCUODW-UHFFFAOYSA-N -1 3 358.854 4.203 20 0 FIADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)N(CC(F)F)CCS3)c1F ZINC000513629198 1094252201 /nfs/dbraw/zinc/25/22/01/1094252201.db2.gz QUDYRJNSEZNJBA-UHFFFAOYSA-N -1 3 372.387 4.460 20 0 FIADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000474519716 1094285187 /nfs/dbraw/zinc/28/51/87/1094285187.db2.gz RLGRSHFDLAWMGO-UHFFFAOYSA-N -1 3 361.873 4.104 20 0 FIADHM CN1Cc2ccccc2[C@H]1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001648952445 1094322805 /nfs/dbraw/zinc/32/28/05/1094322805.db2.gz WQURACVUWARVJA-OAQYLSRUSA-N -1 3 374.440 4.101 20 0 FIADHM CSc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000629204889 1094389515 /nfs/dbraw/zinc/38/95/15/1094389515.db2.gz ZGFYODONBGIRLI-UHFFFAOYSA-N -1 3 366.284 4.156 20 0 FIADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000501135010 1094523916 /nfs/dbraw/zinc/52/39/16/1094523916.db2.gz NOFGRVYDCSWNMG-CABCVRRESA-N -1 3 360.458 4.159 20 0 FIADHM Cc1cccc(C(C)C)c1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419598271 1094527632 /nfs/dbraw/zinc/52/76/32/1094527632.db2.gz CHZXFNHUEILEGE-UHFFFAOYSA-N -1 3 371.506 4.363 20 0 FIADHM CC(C)c1ccccc1NC(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419609771 1094535521 /nfs/dbraw/zinc/53/55/21/1094535521.db2.gz XHFDKIYEGBZSJZ-ZDUSSCGKSA-N -1 3 371.506 4.443 20 0 FIADHM COc1cccc(-c2nsc([N-]C(=O)c3c(F)cccc3Cl)n2)c1 ZINC000102911027 1094691685 /nfs/dbraw/zinc/69/16/85/1094691685.db2.gz IVATVVLGERIEKR-UHFFFAOYSA-N -1 3 363.801 4.259 20 0 FIADHM COc1cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)cc(OC)c1[O-] ZINC000179255599 1094772812 /nfs/dbraw/zinc/77/28/12/1094772812.db2.gz CTBGVKDHTCSREF-LJQANCHMSA-N -1 3 355.434 4.071 20 0 FIADHM O=c1cc(CN2CCC[C@@H](CC(F)(F)F)C2)nc(-c2ccccc2)[n-]1 ZINC000420951078 1095192411 /nfs/dbraw/zinc/19/24/11/1095192411.db2.gz QLSGESFOPMHUPN-ZDUSSCGKSA-N -1 3 351.372 4.014 20 0 FIADHM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000192523561 1095201891 /nfs/dbraw/zinc/20/18/91/1095201891.db2.gz LUJRLVSKLAEPRH-OAHLLOKOSA-N -1 3 369.465 4.065 20 0 FIADHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](c1ccc(F)cc1F)C1CC1 ZINC001126569664 1095387631 /nfs/dbraw/zinc/38/76/31/1095387631.db2.gz RVUCOCQXGLWVJA-KRWDZBQOSA-N -1 3 367.342 4.333 20 0 FIADHM CC[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000545894308 1095474314 /nfs/dbraw/zinc/47/43/14/1095474314.db2.gz VURQTUBZNUMKEJ-ZDUSSCGKSA-N -1 3 352.203 4.426 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c(C)c1C ZINC000522693228 1095578843 /nfs/dbraw/zinc/57/88/43/1095578843.db2.gz NUEBQGKQOAXOKV-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000444042520 1095644388 /nfs/dbraw/zinc/64/43/88/1095644388.db2.gz BQOJIYREEYNKLO-MRXNPFEDSA-N -1 3 354.454 4.058 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@H](C)C[C@H](C)C3)c2)n1 ZINC000502929023 1095958416 /nfs/dbraw/zinc/95/84/16/1095958416.db2.gz LFEUXWSGHKIOTP-FOLVSLTJSA-N -1 3 353.466 4.422 20 0 FIADHM Cc1cc(F)cc2c1CN(Cc1nc3c4ccccc4oc3c(=O)[n-]1)CC2 ZINC000502957385 1095985603 /nfs/dbraw/zinc/98/56/03/1095985603.db2.gz QSTSKMIQANSIJJ-UHFFFAOYSA-N -1 3 363.392 4.087 20 0 FIADHM C[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCO1 ZINC000271983359 1096146145 /nfs/dbraw/zinc/14/61/45/1096146145.db2.gz ZJXGHZSFSQXFRH-QWHCGFSZSA-N -1 3 368.458 4.423 20 0 FIADHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cccnn2)cc1 ZINC001269255840 1096167476 /nfs/dbraw/zinc/16/74/76/1096167476.db2.gz NAMXLNHBZVOZJY-UHFFFAOYSA-N -1 3 357.369 4.015 20 0 FIADHM CCc1ccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000504344123 1096748991 /nfs/dbraw/zinc/74/89/91/1096748991.db2.gz FMOGJXDYZRJCAW-UHFFFAOYSA-N -1 3 368.462 4.103 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1c(Cl)cccc1Cl ZINC000504547334 1096805945 /nfs/dbraw/zinc/80/59/45/1096805945.db2.gz NBMIRXXCRFUMKK-CQSZACIVSA-N -1 3 372.273 4.186 20 0 FIADHM CCc1noc(C)c1[N-]C(=O)c1ccc(Br)c(Cl)c1F ZINC000435918742 1098559553 /nfs/dbraw/zinc/55/95/53/1098559553.db2.gz XAQXBVPAJIYTMQ-UHFFFAOYSA-N -1 3 361.598 4.353 20 0 FIADHM CCOc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1OC ZINC000515630589 1098776721 /nfs/dbraw/zinc/77/67/21/1098776721.db2.gz AHMICKZBLBZBCJ-UHFFFAOYSA-N -1 3 363.479 4.192 20 0 FIADHM O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(Cl)cc1[O-] ZINC000533159177 1098813125 /nfs/dbraw/zinc/81/31/25/1098813125.db2.gz MLAWXWUTSLXGIX-UHFFFAOYSA-N -1 3 359.731 4.168 20 0 FIADHM O=c1nc(CSC[C@H]2CCCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000533201124 1098876758 /nfs/dbraw/zinc/87/67/58/1098876758.db2.gz ZHXLHYOMAPLHCW-NSHDSACASA-N -1 3 362.476 4.317 20 0 FIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000515751185 1098907919 /nfs/dbraw/zinc/90/79/19/1098907919.db2.gz BBTADKXXHUTFCD-CQSZACIVSA-N -1 3 363.788 4.230 20 0 FIADHM CC1=C(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CCC1 ZINC000533469498 1099080016 /nfs/dbraw/zinc/08/00/16/1099080016.db2.gz WOWLEQYWIRKNFH-UHFFFAOYSA-N -1 3 370.474 4.235 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)c1[O-] ZINC000436529219 1099084875 /nfs/dbraw/zinc/08/48/75/1099084875.db2.gz KHBXHJVFSGQSOG-UHFFFAOYSA-N -1 3 351.431 4.203 20 0 FIADHM CC(=O)N(C)c1ccccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436534447 1099090224 /nfs/dbraw/zinc/09/02/24/1099090224.db2.gz IBKJZAAHXLVRHU-UHFFFAOYSA-N -1 3 374.440 4.218 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c([O-])c1 ZINC000436552010 1099098081 /nfs/dbraw/zinc/09/80/81/1099098081.db2.gz SUKCLUOPNRUROV-UHFFFAOYSA-N -1 3 357.425 4.338 20 0 FIADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000533498762 1099122484 /nfs/dbraw/zinc/12/24/84/1099122484.db2.gz KXXLAQCDSALPOJ-QWRGUYRKSA-N -1 3 352.253 4.267 20 0 FIADHM O=C(Nc1cccc(Oc2cccnn2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436592788 1099125804 /nfs/dbraw/zinc/12/58/04/1099125804.db2.gz YWYBHNPSCLUMKL-UHFFFAOYSA-N -1 3 361.401 4.106 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436590869 1099137058 /nfs/dbraw/zinc/13/70/58/1099137058.db2.gz OHAXKBQZYOIGOE-VBKZILBWSA-N -1 3 357.425 4.257 20 0 FIADHM C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436630129 1099159744 /nfs/dbraw/zinc/15/97/44/1099159744.db2.gz LYXXFEYEALNRDK-MEDUHNTESA-N -1 3 365.351 4.340 20 0 FIADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436663961 1099192915 /nfs/dbraw/zinc/19/29/15/1099192915.db2.gz KDUORUGZEHZBCR-UHFFFAOYSA-N -1 3 359.332 4.406 20 0 FIADHM Cc1sc(CNC(=O)c2ccccc2[O-])nc1-c1ccc(Cl)cc1 ZINC000436665878 1099194993 /nfs/dbraw/zinc/19/49/93/1099194993.db2.gz QHPKVZMDWNGIEN-UHFFFAOYSA-N -1 3 358.850 4.408 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c([O-])c1 ZINC000436700187 1099233995 /nfs/dbraw/zinc/23/39/95/1099233995.db2.gz YLFZJGKIBNUSFF-UHFFFAOYSA-N -1 3 351.406 4.050 20 0 FIADHM CC(C)Cn1ncc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C1CC1 ZINC000436743974 1099263798 /nfs/dbraw/zinc/26/37/98/1099263798.db2.gz IJVIZDXGTAOMGN-UHFFFAOYSA-N -1 3 369.465 4.088 20 0 FIADHM CC(C)c1ccc(C(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)c([O-])c1 ZINC000436734992 1099271099 /nfs/dbraw/zinc/27/10/99/1099271099.db2.gz FXWAWSOOUVQCPI-IRXDYDNUSA-N -1 3 355.478 4.142 20 0 FIADHM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436759159 1099273682 /nfs/dbraw/zinc/27/36/82/1099273682.db2.gz UIRZIUABNPGLDR-SECBINFHSA-N -1 3 352.217 4.164 20 0 FIADHM COc1cccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1[O-] ZINC000436815995 1099339891 /nfs/dbraw/zinc/33/98/91/1099339891.db2.gz RHJSFMFECFUZNM-UHFFFAOYSA-N -1 3 368.433 4.172 20 0 FIADHM CCc1ccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c([O-])c1 ZINC000436837618 1099347655 /nfs/dbraw/zinc/34/76/55/1099347655.db2.gz HTCLRBJCAFYEHK-DJJJIMSYSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c([O-])c1 ZINC000436819778 1099348161 /nfs/dbraw/zinc/34/81/61/1099348161.db2.gz JPIQULLVWDUPPJ-DJJJIMSYSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c([O-])c1 ZINC000436825415 1099351954 /nfs/dbraw/zinc/35/19/54/1099351954.db2.gz GOWQKWIQTPQEHS-FQEVSTJZSA-N -1 3 350.393 4.008 20 0 FIADHM CCc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c([O-])c1 ZINC000436825416 1099352387 /nfs/dbraw/zinc/35/23/87/1099352387.db2.gz GOWQKWIQTPQEHS-HXUWFJFHSA-N -1 3 350.393 4.008 20 0 FIADHM CC(C)N1CCc2nc(NC(=O)c3ccc4ccccc4c3[O-])sc2C1 ZINC000436841797 1099359764 /nfs/dbraw/zinc/35/97/64/1099359764.db2.gz ZUQHSRLBKQFXSR-UHFFFAOYSA-N -1 3 367.474 4.021 20 0 FIADHM CC(C)COC[C@H](NCc1cccc([O-])c1Br)c1ccco1 ZINC000459389609 1099367978 /nfs/dbraw/zinc/36/79/78/1099367978.db2.gz AGQCRMSMFNFVDI-AWEZNQCLSA-N -1 3 368.271 4.251 20 0 FIADHM [O-]c1ccc(Nc2cccc(F)c2I)c(F)c1F ZINC001212009441 1099374624 /nfs/dbraw/zinc/37/46/24/1099374624.db2.gz ODEFYTSMINKRFW-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(OC)c([O-])c(OC)c2)o1 ZINC000436867632 1099377918 /nfs/dbraw/zinc/37/79/18/1099377918.db2.gz DPTQRFNXYKAKOH-CZUORRHYSA-N -1 3 373.449 4.178 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1[O-] ZINC000436869137 1099379109 /nfs/dbraw/zinc/37/91/09/1099379109.db2.gz LOLPAZJOGGZSOS-UHFFFAOYSA-N -1 3 367.401 4.279 20 0 FIADHM COc1ccc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1OC ZINC000436894641 1099392427 /nfs/dbraw/zinc/39/24/27/1099392427.db2.gz FUWIJCOCCIMPOL-UHFFFAOYSA-N -1 3 354.406 4.174 20 0 FIADHM Cc1ccccc1[C@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053279512 1099394376 /nfs/dbraw/zinc/39/43/76/1099394376.db2.gz JRJZEYGKCKCQNN-QGZVFWFLSA-N -1 3 359.429 4.315 20 0 FIADHM Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccc(C)cc4[O-])n3)c2)n1 ZINC000436891008 1099407074 /nfs/dbraw/zinc/40/70/74/1099407074.db2.gz GXYCGJICZRXEKM-UHFFFAOYSA-N -1 3 360.417 4.279 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2ccc(O)cc2)no1 ZINC000436889787 1099407956 /nfs/dbraw/zinc/40/79/56/1099407956.db2.gz XXAFNFGMKVLAJH-UHFFFAOYSA-N -1 3 360.369 4.394 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3cncc(Br)c3)no2)c([O-])c1 ZINC000436892507 1099411364 /nfs/dbraw/zinc/41/13/64/1099411364.db2.gz KBBQFQMKIZWBPC-UHFFFAOYSA-N -1 3 360.211 4.390 20 0 FIADHM [O-]c1ccccc1-c1nc(Cc2ccc(OCc3cccnc3)cc2)no1 ZINC000436905149 1099413304 /nfs/dbraw/zinc/41/33/04/1099413304.db2.gz ZJRYTJJEZJTVOP-UHFFFAOYSA-N -1 3 359.385 4.007 20 0 FIADHM COc1ccc2ccccc2c1-c1cc(CNC(=O)c2ccccc2[O-])on1 ZINC000436897436 1099425077 /nfs/dbraw/zinc/42/50/77/1099425077.db2.gz YITUEDGBARHRME-UHFFFAOYSA-N -1 3 374.396 4.139 20 0 FIADHM Cc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436901223 1099426880 /nfs/dbraw/zinc/42/68/80/1099426880.db2.gz GFZJZIJDBUALFZ-OAQYLSRUSA-N -1 3 374.440 4.201 20 0 FIADHM COc1ncccc1-c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436920427 1099436782 /nfs/dbraw/zinc/43/67/82/1099436782.db2.gz RRCXALIPBWTSPP-UHFFFAOYSA-N -1 3 359.385 4.104 20 0 FIADHM O=C(c1ccccc1[O-])N1CC=C(c2cccc(Br)c2)CC1 ZINC000436959325 1099476047 /nfs/dbraw/zinc/47/60/47/1099476047.db2.gz MRGGAPAPRWMUOP-UHFFFAOYSA-N -1 3 358.235 4.084 20 0 FIADHM O=c1nc(C=Cc2ccc([O-])c(F)c2)[nH]c2sc(Br)cc21 ZINC000436973633 1099481376 /nfs/dbraw/zinc/48/13/76/1099481376.db2.gz UFHODCAPZRBWNL-RQOWECAXSA-N -1 3 367.199 4.175 20 0 FIADHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])cc1OCC1CCOCC1 ZINC000436995098 1099499282 /nfs/dbraw/zinc/49/92/82/1099499282.db2.gz GXTMDGVXKNGWNZ-UHFFFAOYSA-N -1 3 355.434 4.067 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c([O-])c1 ZINC000436995523 1099499887 /nfs/dbraw/zinc/49/98/87/1099499887.db2.gz ISPBHGUDYCWDIR-UHFFFAOYSA-N -1 3 355.434 4.067 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(Br)c(C)c3)no2)c1 ZINC000436996370 1099500555 /nfs/dbraw/zinc/50/05/55/1099500555.db2.gz KLGFILQGAMIDPG-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(CCn2cnc3ccccc32)no1 ZINC000436997973 1099502421 /nfs/dbraw/zinc/50/24/21/1099502421.db2.gz JMPCHBVBHQKSCD-UHFFFAOYSA-N -1 3 356.385 4.188 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)no2)c([O-])c1 ZINC000437006455 1099509111 /nfs/dbraw/zinc/50/91/11/1099509111.db2.gz XSWAVTZXYRPVFS-UHFFFAOYSA-N -1 3 363.417 4.359 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C(F)(F)F)c3)c[n-]c12 ZINC000161591403 1099516907 /nfs/dbraw/zinc/51/69/07/1099516907.db2.gz RYUJAMKSIPIWSE-UHFFFAOYSA-N -1 3 364.298 4.247 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@H]3CC3CCC3)nc2)n1 ZINC000664602936 1099551760 /nfs/dbraw/zinc/55/17/60/1099551760.db2.gz BFGASEBWPYSNJM-SFHVURJKSA-N -1 3 352.482 4.356 20 0 FIADHM CCCOc1c(Cl)cc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1OCC ZINC000263040852 1099757502 /nfs/dbraw/zinc/75/75/02/1099757502.db2.gz ITOHLXUIHLMVPC-UKRRQHHQSA-N -1 3 369.889 4.070 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1nc(C)cs1 ZINC000517084793 1100045248 /nfs/dbraw/zinc/04/52/48/1100045248.db2.gz PAQDLFPKHFXZSC-LBPRGKRZSA-N -1 3 365.307 4.188 20 0 FIADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473582092 1100047310 /nfs/dbraw/zinc/04/73/10/1100047310.db2.gz HPGYWXOJICDWJZ-LLVKDONJSA-N -1 3 351.324 4.306 20 0 FIADHM Cc1oc(C(=O)[O-])cc1CN1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000517161732 1100121599 /nfs/dbraw/zinc/12/15/99/1100121599.db2.gz ZPLGWAJWJRWWFG-UHFFFAOYSA-N -1 3 360.479 4.001 20 0 FIADHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000437731532 1100150039 /nfs/dbraw/zinc/15/00/39/1100150039.db2.gz UTNAIFSVKICAQT-SNVBAGLBSA-N -1 3 356.340 4.112 20 0 FIADHM CC(C)Sc1ccc([C@@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000517194408 1100151836 /nfs/dbraw/zinc/15/18/36/1100151836.db2.gz CSWXFAWIFUZORL-CQSZACIVSA-N -1 3 354.479 4.139 20 0 FIADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000536900550 1100403242 /nfs/dbraw/zinc/40/32/42/1100403242.db2.gz NMZGCKQLISESCE-UHFFFAOYSA-N -1 3 363.479 4.370 20 0 FIADHM COc1ccc(CCCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000473591434 1100784357 /nfs/dbraw/zinc/78/43/57/1100784357.db2.gz PQAXJCVGJUXXRC-UHFFFAOYSA-N -1 3 353.340 4.381 20 0 FIADHM O=S(=O)([N-]c1c(F)cc(F)cc1F)c1csc(-c2ccccc2)n1 ZINC000438767846 1100906011 /nfs/dbraw/zinc/90/60/11/1100906011.db2.gz AZGITBNVLNZZIY-UHFFFAOYSA-N -1 3 370.377 4.028 20 0 FIADHM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1cccc(F)c1 ZINC000518199769 1101003050 /nfs/dbraw/zinc/00/30/50/1101003050.db2.gz CGGVKFCVBPJQHO-UHFFFAOYSA-N -1 3 351.805 4.078 20 0 FIADHM Cc1nc(C2CCCC2)sc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000439018699 1101095017 /nfs/dbraw/zinc/09/50/17/1101095017.db2.gz ICUSBYHTMJDSTM-UHFFFAOYSA-N -1 3 352.463 4.173 20 0 FIADHM CC[C@@H](CC1CCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433144 1101329142 /nfs/dbraw/zinc/32/91/42/1101329142.db2.gz UWNAIAHNNJLDJB-NSHDSACASA-N -1 3 351.800 4.066 20 0 FIADHM Cc1cc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(C)cc1Cl ZINC000648432135 1101330444 /nfs/dbraw/zinc/33/04/44/1101330444.db2.gz RAXGCVIJQYSOED-UHFFFAOYSA-N -1 3 366.170 4.043 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000439356795 1101369413 /nfs/dbraw/zinc/36/94/13/1101369413.db2.gz LDXPWTNXTTWJBZ-UHFFFAOYSA-N -1 3 369.223 4.106 20 0 FIADHM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1csc2ccccc21 ZINC000506569751 1101420840 /nfs/dbraw/zinc/42/08/40/1101420840.db2.gz FHPFSHKMOLGYRX-UHFFFAOYSA-N -1 3 367.835 4.084 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)c3cc4ccccc4o3)cc2)n1 ZINC000176179072 1101446830 /nfs/dbraw/zinc/44/68/30/1101446830.db2.gz PMJVBPMWEGEHRS-CQSZACIVSA-N -1 3 373.412 4.234 20 0 FIADHM O=S(=O)([N-]c1ccccc1Br)c1csc2ccccc21 ZINC000506594149 1101491278 /nfs/dbraw/zinc/49/12/78/1101491278.db2.gz LCYDTPFNKLDASM-UHFFFAOYSA-N -1 3 368.277 4.465 20 0 FIADHM CCOc1cc(-c2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000445427048 1101641805 /nfs/dbraw/zinc/64/18/05/1101641805.db2.gz MRGIYQXHNNMZLB-GRYCIOLGSA-N -1 3 365.861 4.428 20 0 FIADHM COC(=O)c1ccc(-c2nc(-c3ccc(C)cc3OC3CCCC3)no2)[n-]1 ZINC000426449374 1101641926 /nfs/dbraw/zinc/64/19/26/1101641926.db2.gz UDPANZFJEGMXBX-UHFFFAOYSA-N -1 3 367.405 4.148 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sccc3Cl)c2)n1 ZINC000506717080 1101902617 /nfs/dbraw/zinc/90/26/17/1101902617.db2.gz AANRUOISNAZKCS-UHFFFAOYSA-N -1 3 359.838 4.379 20 0 FIADHM C[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(=O)c1cccc(F)c1 ZINC000476129583 1101953683 /nfs/dbraw/zinc/95/36/83/1101953683.db2.gz BXTXOPGDOCGQOD-SNVBAGLBSA-N -1 3 369.314 4.398 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1csc(-c2ccc(F)c(F)c2)n1 ZINC000506740838 1101985203 /nfs/dbraw/zinc/98/52/03/1101985203.db2.gz CGMJJGBACFHDMU-UHFFFAOYSA-N -1 3 350.321 4.185 20 0 FIADHM O=C(c1cc2sccc2c([O-])c1)N1CCN[C@H](c2ccccc2Cl)C1 ZINC001625967436 1102040308 /nfs/dbraw/zinc/04/03/08/1102040308.db2.gz UXZGZBJAIPMTAG-INIZCTEOSA-N -1 3 372.877 4.047 20 0 FIADHM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000519254263 1102045861 /nfs/dbraw/zinc/04/58/61/1102045861.db2.gz QICGLOAJNVUUSI-SNVBAGLBSA-N -1 3 369.364 4.198 20 0 FIADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1C1CC1 ZINC000666303357 1102079090 /nfs/dbraw/zinc/07/90/90/1102079090.db2.gz MSOPHTMPNGSEMF-RPVQJOFSSA-N -1 3 359.495 4.029 20 0 FIADHM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476312819 1102117791 /nfs/dbraw/zinc/11/77/91/1102117791.db2.gz SSYJPJDEWLHSHK-UHFFFAOYSA-N -1 3 356.369 4.381 20 0 FIADHM O=C([O-])c1cccc(CN2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000263419209 1102133608 /nfs/dbraw/zinc/13/36/08/1102133608.db2.gz OGMYCUIHZGUAQS-MRXNPFEDSA-N -1 3 360.251 4.137 20 0 FIADHM CCCCOc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000263484448 1102181185 /nfs/dbraw/zinc/18/11/85/1102181185.db2.gz OXNFDTVNGXCCTG-HNNXBMFYSA-N -1 3 357.450 4.423 20 0 FIADHM C[C@H](CCC(=O)[O-])CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000426648346 1102253257 /nfs/dbraw/zinc/25/32/57/1102253257.db2.gz RWXVQKGCTIHQBY-LLVKDONJSA-N -1 3 372.412 4.419 20 0 FIADHM O=C([O-])c1ccccc1CCNCc1ccc(Cl)cc1Br ZINC000426653913 1102256075 /nfs/dbraw/zinc/25/60/75/1102256075.db2.gz GUYWNGUUOBFSLM-UHFFFAOYSA-N -1 3 368.658 4.133 20 0 FIADHM CCc1noc(C)c1[N-]C(=O)c1occc1CN1c2ccccc2C[C@@H]1C ZINC000120946277 1102286815 /nfs/dbraw/zinc/28/68/15/1102286815.db2.gz UOXUBVKLQBIPTK-ZDUSSCGKSA-N -1 3 365.433 4.342 20 0 FIADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)NCc1ncccc1[O-] ZINC000473642203 1102366012 /nfs/dbraw/zinc/36/60/12/1102366012.db2.gz WMYBWVYZWJTCBJ-UHFFFAOYSA-N -1 3 353.249 4.123 20 0 FIADHM Cc1ccc2cc(C(=O)Nc3ccc(Br)cc3[O-])ccc2n1 ZINC000532563630 1102487123 /nfs/dbraw/zinc/48/71/23/1102487123.db2.gz AAVDFNVEZUURSI-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N([C@H](C)c2ccccc2Cl)C2CC2)c1 ZINC000121933741 1102488633 /nfs/dbraw/zinc/48/86/33/1102488633.db2.gz FDCMTUNAZFSTRF-GFCCVEGCSA-N -1 3 372.852 4.370 20 0 FIADHM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000101850581 1102738891 /nfs/dbraw/zinc/73/88/91/1102738891.db2.gz IHMBASBZUVENBP-UHFFFAOYSA-N -1 3 356.422 4.305 20 0 FIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1n[nH]c(-c2cccc3ccccc32)n1 ZINC000476748304 1102751778 /nfs/dbraw/zinc/75/17/78/1102751778.db2.gz PWGFYBLJNZRGHZ-UHFFFAOYSA-N -1 3 373.416 4.126 20 0 FIADHM CCc1cccc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1[O-] ZINC000537665384 1102777727 /nfs/dbraw/zinc/77/77/27/1102777727.db2.gz WOUSOJNNFWOSKE-UHFFFAOYSA-N -1 3 359.429 4.122 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000537663027 1102788940 /nfs/dbraw/zinc/78/89/40/1102788940.db2.gz KSRSWZQJBJZSHF-HNNXBMFYSA-N -1 3 370.518 4.310 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2cnc(-c3ccsc3)s2)s1 ZINC000112228493 1102821975 /nfs/dbraw/zinc/82/19/75/1102821975.db2.gz NFICFVFEWVCQJJ-UHFFFAOYSA-N -1 3 350.494 4.318 20 0 FIADHM CSc1ccc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)o1 ZINC000112246253 1102844715 /nfs/dbraw/zinc/84/47/15/1102844715.db2.gz SFHURUSWNZZZCE-UHFFFAOYSA-N -1 3 359.476 4.431 20 0 FIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)sc1Br ZINC000426673405 1102878840 /nfs/dbraw/zinc/87/88/40/1102878840.db2.gz XIAXZCBYVQHILM-LLVKDONJSA-N -1 3 360.298 4.186 20 0 FIADHM CCOc1cc(CNc2ccccc2OCCCOC)cc(Cl)c1[O-] ZINC000459350454 1102891540 /nfs/dbraw/zinc/89/15/40/1102891540.db2.gz PBOYQDWLINJAGU-UHFFFAOYSA-N -1 3 365.857 4.472 20 0 FIADHM Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000532676202 1102894750 /nfs/dbraw/zinc/89/47/50/1102894750.db2.gz JLJOENMHDGDUFZ-UHFFFAOYSA-N -1 3 363.388 4.001 20 0 FIADHM CSc1cc(Br)ccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000426683907 1102918446 /nfs/dbraw/zinc/91/84/46/1102918446.db2.gz WGZQCBRIWGFFIT-UHFFFAOYSA-N -1 3 366.280 4.159 20 0 FIADHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCCC(C)C ZINC000426705467 1102932570 /nfs/dbraw/zinc/93/25/70/1102932570.db2.gz WPFRZUFDLTYNIA-UHFFFAOYSA-N -1 3 357.450 4.108 20 0 FIADHM Cc1cccc([C@H](NCc2ccc(F)c(C(F)(F)F)c2)C(=O)[O-])c1C ZINC000426718380 1102939601 /nfs/dbraw/zinc/93/96/01/1102939601.db2.gz WCYMFMGTGOFXGC-INIZCTEOSA-N -1 3 355.331 4.377 20 0 FIADHM Cc1cccc([C@@H](NCc2ccc(F)c(C(F)(F)F)c2)C(=O)[O-])c1C ZINC000426718382 1102939931 /nfs/dbraw/zinc/93/99/31/1102939931.db2.gz WCYMFMGTGOFXGC-MRXNPFEDSA-N -1 3 355.331 4.377 20 0 FIADHM CC1([C@@H](NCc2csc(COc3ccccc3)n2)C(=O)[O-])CCCCC1 ZINC000426737166 1102954809 /nfs/dbraw/zinc/95/48/09/1102954809.db2.gz MLMPQNAAQQCATB-SFHVURJKSA-N -1 3 374.506 4.235 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000426742419 1102959019 /nfs/dbraw/zinc/95/90/19/1102959019.db2.gz JPNBDLFLEYFVIY-BDJLRTHQSA-N -1 3 355.331 4.396 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@H](c3ccccc3)[C@H](C)C(=O)[O-])s2)o1 ZINC000426745238 1102965401 /nfs/dbraw/zinc/96/54/01/1102965401.db2.gz GBUYBDMMKWKPCP-GUYCJALGSA-N -1 3 356.447 4.263 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(Cl)c2)cc1C ZINC000614841497 1102965576 /nfs/dbraw/zinc/96/55/76/1102965576.db2.gz PFMFEYSVNGDDRK-UHFFFAOYSA-N -1 3 369.870 4.247 20 0 FIADHM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1cc(Cl)ccc1F ZINC000426750369 1102967490 /nfs/dbraw/zinc/96/74/90/1102967490.db2.gz MVWFERGZKUWXBK-HNNXBMFYSA-N -1 3 360.187 4.057 20 0 FIADHM COCc1cccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000426751630 1102968041 /nfs/dbraw/zinc/96/80/41/1102968041.db2.gz WYIVMZQZEUYOCV-QGZVFWFLSA-N -1 3 368.260 4.445 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000426754107 1102969297 /nfs/dbraw/zinc/96/92/97/1102969297.db2.gz NQBQDSKPPFIYPU-MLGOLLRUSA-N -1 3 358.488 4.423 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3csc(-c4ccoc4)n3)[nH][n-]2)c1 ZINC000520824414 1102969895 /nfs/dbraw/zinc/96/98/95/1102969895.db2.gz VLNIYYHVKDTSMH-UHFFFAOYSA-N -1 3 364.430 4.084 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnc(C(C)(C)C)s2)cc1 ZINC000426757628 1102972189 /nfs/dbraw/zinc/97/21/89/1102972189.db2.gz PLVYGIRDHZXOAT-INIZCTEOSA-N -1 3 362.495 4.145 20 0 FIADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)ccc1SC ZINC000426781180 1102982033 /nfs/dbraw/zinc/98/20/33/1102982033.db2.gz YZZUHVOULSTAHK-QGZVFWFLSA-N -1 3 365.882 4.294 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2csc3ccccc23)cc1OC ZINC000426786512 1102990489 /nfs/dbraw/zinc/99/04/89/1102990489.db2.gz WDWWWIPBXIWMRY-INIZCTEOSA-N -1 3 371.458 4.224 20 0 FIADHM CCCOc1c(Cl)cc(CN[C@@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426787062 1102990781 /nfs/dbraw/zinc/99/07/81/1102990781.db2.gz ALUSUSIIAPSRCT-OAHLLOKOSA-N -1 3 369.870 4.114 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(OCC(F)F)cc1)c1cccc(Cl)c1 ZINC000426797838 1102997483 /nfs/dbraw/zinc/99/74/83/1102997483.db2.gz GTNODWBEQWAJBP-MRXNPFEDSA-N -1 3 369.795 4.290 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c([O-])c1 ZINC000426990579 1103148386 /nfs/dbraw/zinc/14/83/86/1103148386.db2.gz IZSIAVCRVCNROZ-GHMZBOCLSA-N -1 3 365.838 4.026 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000427067436 1103216381 /nfs/dbraw/zinc/21/63/81/1103216381.db2.gz OWISFWHMZVTNEP-KGLIPLIRSA-N -1 3 357.278 4.398 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000427098156 1103260341 /nfs/dbraw/zinc/26/03/41/1103260341.db2.gz ANRJCWLPXFENFP-QGZVFWFLSA-N -1 3 352.478 4.493 20 0 FIADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)cc2s1 ZINC000427295272 1103420241 /nfs/dbraw/zinc/42/02/41/1103420241.db2.gz NEUPIOOKJLMQIF-UHFFFAOYSA-N -1 3 374.821 4.337 20 0 FIADHM CC1(c2ccccc2)CCC(NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000427411250 1103514391 /nfs/dbraw/zinc/51/43/91/1103514391.db2.gz DRIMCNFASKQOBM-UHFFFAOYSA-N -1 3 360.457 4.158 20 0 FIADHM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc([O-])ccc1Cl ZINC000551788162 1103659064 /nfs/dbraw/zinc/65/90/64/1103659064.db2.gz XSHVLNYTDVDZAK-UHFFFAOYSA-N -1 3 367.257 4.281 20 0 FIADHM Cc1ccc(/C=C/CC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000084753952 1103679271 /nfs/dbraw/zinc/67/92/71/1103679271.db2.gz MJLCNENTUROCIL-ONEGZZNKSA-N -1 3 359.429 4.096 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000519860110 1103911363 /nfs/dbraw/zinc/91/13/63/1103911363.db2.gz YINQXNKBUXQNPW-LJQANCHMSA-N -1 3 367.424 4.449 20 0 FIADHM CC(C)Oc1cccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)c1 ZINC000138241905 1104006456 /nfs/dbraw/zinc/00/64/56/1104006456.db2.gz ARIFVZAQRNTNHQ-UHFFFAOYSA-N -1 3 359.223 4.140 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)sc1Cl ZINC000473901909 1104347657 /nfs/dbraw/zinc/34/76/57/1104347657.db2.gz JELGHLSRFLGWSX-NSHDSACASA-N -1 3 359.925 4.225 20 0 FIADHM Cn1ncc2c1CCC[C@H]2[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843766315 1104358793 /nfs/dbraw/zinc/35/87/93/1104358793.db2.gz YOQJTAWVSAMYLX-GFCCVEGCSA-N -1 3 374.218 4.013 20 0 FIADHM O=C(CCCc1cccc(C(F)(F)F)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000473928428 1104397219 /nfs/dbraw/zinc/39/72/19/1104397219.db2.gz OLRVHDZLYVXPJP-UHFFFAOYSA-N -1 3 364.327 4.045 20 0 FIADHM Cc1cccc2c1CCN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)C2 ZINC000729493704 1104719768 /nfs/dbraw/zinc/71/97/68/1104719768.db2.gz WXRSXYKLPBFLGM-UHFFFAOYSA-N -1 3 374.444 4.056 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cccc(F)c1F ZINC000189768561 1104851767 /nfs/dbraw/zinc/85/17/67/1104851767.db2.gz XDTPIFDUBZYOCI-UHFFFAOYSA-N -1 3 365.792 4.313 20 0 FIADHM O=S(=O)([N-]C1(Cc2cccc(Cl)c2)CC1)c1cccc(Cl)c1F ZINC001211867657 1104949112 /nfs/dbraw/zinc/94/91/12/1104949112.db2.gz GRXICNVEBNGDHM-UHFFFAOYSA-N -1 3 374.264 4.186 20 0 FIADHM COCc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000417595189 1105003844 /nfs/dbraw/zinc/00/38/44/1105003844.db2.gz XNWHTILUWCGGFF-KRWDZBQOSA-N -1 3 367.367 4.157 20 0 FIADHM CC(C)=CCSC[C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417629139 1105030335 /nfs/dbraw/zinc/03/03/35/1105030335.db2.gz RRYXVEMDVQLYRR-SNVBAGLBSA-N -1 3 354.324 4.297 20 0 FIADHM CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c([O-])c1 ZINC000190726230 1105107919 /nfs/dbraw/zinc/10/79/19/1105107919.db2.gz LQDPFOHDUTZMAK-UHFFFAOYSA-N -1 3 350.374 4.052 20 0 FIADHM Cc1nc(CCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)oc1-c1ccccc1 ZINC000520738574 1105183517 /nfs/dbraw/zinc/18/35/17/1105183517.db2.gz QTNIYVDXKVPQHC-UHFFFAOYSA-N -1 3 372.428 4.033 20 0 FIADHM Cc1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c(C)o1 ZINC000508062186 1105316248 /nfs/dbraw/zinc/31/62/48/1105316248.db2.gz KNXBKRCWEGQQDK-UHFFFAOYSA-N -1 3 350.205 4.268 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1Cl ZINC000508243400 1105367296 /nfs/dbraw/zinc/36/72/96/1105367296.db2.gz USVKTPSNBFFQFC-UHFFFAOYSA-N -1 3 356.850 4.409 20 0 FIADHM O=C([O-])[C@H](CCN1CCc2cccc(C(F)(F)F)c2C1)c1ccccc1 ZINC000530172334 1106902570 /nfs/dbraw/zinc/90/25/70/1106902570.db2.gz HJVOFQDGBRAHLH-MRXNPFEDSA-N -1 3 363.379 4.322 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCc4cc(F)ccc43)nc2)n1 ZINC000301191522 1106959127 /nfs/dbraw/zinc/95/91/27/1106959127.db2.gz ZOBHBCSXEIWBDS-QGZVFWFLSA-N -1 3 350.397 4.045 20 0 FIADHM COc1ccnc2c(NC(=O)CCCc3ccc([O-])c(F)c3)cccc12 ZINC000530336798 1106972290 /nfs/dbraw/zinc/97/22/90/1106972290.db2.gz CUYBLJQPMBFRCC-UHFFFAOYSA-N -1 3 354.381 4.050 20 0 FIADHM O=c1[n-]c(Sc2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1 ZINC000301294739 1106983931 /nfs/dbraw/zinc/98/39/31/1106983931.db2.gz QZFOCQSWKUUXIO-UHFFFAOYSA-N -1 3 354.822 4.326 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](C(C)(C)C)CC3)nc2)n1 ZINC000301322813 1106991375 /nfs/dbraw/zinc/99/13/75/1106991375.db2.gz UUBNLZYIHGBRFO-INIZCTEOSA-N -1 3 354.498 4.459 20 0 FIADHM CCS[C@@H]1CCC[C@H](Nc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000301509706 1107054058 /nfs/dbraw/zinc/05/40/58/1107054058.db2.gz CRNPEHYJSLXKOC-JKSUJKDBSA-N -1 3 358.511 4.283 20 0 FIADHM O=C(Nc1ncccc1[O-])c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000444366292 1107083438 /nfs/dbraw/zinc/08/34/38/1107083438.db2.gz FADMOIKFSGNEFB-UHFFFAOYSA-N -1 3 364.792 4.032 20 0 FIADHM [O-]c1ccc(CNc2cc(Cl)nc(C3CC3)n2)cc1Br ZINC000301906844 1107208678 /nfs/dbraw/zinc/20/86/78/1107208678.db2.gz AGMPKBLLPHVEGZ-UHFFFAOYSA-N -1 3 354.635 4.088 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C)C[C@H]3c3ccco3)nc2)n1 ZINC000302061652 1107283797 /nfs/dbraw/zinc/28/37/97/1107283797.db2.gz SGVAOGQPPYDTSV-YOEHRIQHSA-N -1 3 364.449 4.377 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccc(C)cc4)C3)nc2)n1 ZINC000302134076 1107311999 /nfs/dbraw/zinc/31/19/99/1107311999.db2.gz HLHWUUYMLYMMKM-SFHVURJKSA-N -1 3 360.461 4.109 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000530777752 1107314314 /nfs/dbraw/zinc/31/43/14/1107314314.db2.gz RJYYOVKLCILLSC-GHMZBOCLSA-N -1 3 368.177 4.175 20 0 FIADHM CCc1cccc(C(=O)Nc2ccc(N3CCSCC3)cc2C)c1[O-] ZINC000530955503 1107433355 /nfs/dbraw/zinc/43/33/55/1107433355.db2.gz NHVAGBMPDBCRBG-UHFFFAOYSA-N -1 3 356.491 4.069 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2c(Cl)cc(F)cc2C1 ZINC000452316458 1107634934 /nfs/dbraw/zinc/63/49/34/1107634934.db2.gz AQYVLSTVMNJMKK-UHFFFAOYSA-N -1 3 365.807 4.231 20 0 FIADHM COc1ccccc1-c1nnc([N-]C(=O)c2scnc2C(C)C)s1 ZINC000452533427 1107777334 /nfs/dbraw/zinc/77/73/34/1107777334.db2.gz SGJFAZJASRZRPE-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM O=C(C/C=C\c1cccc(F)c1)Nc1ccc(Br)cc1[O-] ZINC000531386838 1107837651 /nfs/dbraw/zinc/83/76/51/1107837651.db2.gz XVRRKXSNSJWOEY-RQOWECAXSA-N -1 3 350.187 4.336 20 0 FIADHM COc1ccc([O-])c(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c1 ZINC000444463937 1107919854 /nfs/dbraw/zinc/91/98/54/1107919854.db2.gz KCAWFKNFMXBNNQ-UHFFFAOYSA-N -1 3 363.413 4.256 20 0 FIADHM Cc1cc(C(=O)Nc2c(C)c(Br)ccc2[O-])c(C)n1C1CC1 ZINC000452744089 1107928972 /nfs/dbraw/zinc/92/89/72/1107928972.db2.gz BNZZCTAOTVDPIZ-UHFFFAOYSA-N -1 3 363.255 4.469 20 0 FIADHM CC[C@H](C)c1cc(C(=O)Nc2c([O-])ccc(Br)c2C)on1 ZINC000452762418 1107941211 /nfs/dbraw/zinc/94/12/11/1107941211.db2.gz YKFXZJURCIPRPE-QMMMGPOBSA-N -1 3 353.216 4.217 20 0 FIADHM CCO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000452821543 1107960581 /nfs/dbraw/zinc/96/05/81/1107960581.db2.gz IVQVWMFLFVWIEG-MGPUTAFESA-N -1 3 355.434 4.072 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000523335281 1108111361 /nfs/dbraw/zinc/11/13/61/1108111361.db2.gz WITCVMYFHJVKNG-UHFFFAOYSA-N -1 3 352.415 4.267 20 0 FIADHM CCc1cccc(CC)c1NC(=O)Cc1noc(-c2ccc(C)cc2[O-])n1 ZINC000445310536 1108635172 /nfs/dbraw/zinc/63/51/72/1108635172.db2.gz LZJDTUMMMKRGSP-UHFFFAOYSA-N -1 3 365.433 4.057 20 0 FIADHM C[C@H](CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000523880712 1108642184 /nfs/dbraw/zinc/64/21/84/1108642184.db2.gz SFULMJDCHBFKQU-CQSZACIVSA-N -1 3 362.458 4.417 20 0 FIADHM Cc1cccc(NC(=O)Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000445314181 1108657862 /nfs/dbraw/zinc/65/78/62/1108657862.db2.gz BSIZKVJEIRDONM-UHFFFAOYSA-N -1 3 351.406 4.055 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)c(Br)c1)c1ccccc1 ZINC000426756058 1108793971 /nfs/dbraw/zinc/79/39/71/1108793971.db2.gz HOXQBYOAQPUQOV-BZNIZROVSA-N -1 3 366.230 4.140 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(CCc2ccc3c(c2)CCO3)no1 ZINC000445593223 1108907790 /nfs/dbraw/zinc/90/77/90/1108907790.db2.gz NKHGHIFGGVMDHN-UHFFFAOYSA-N -1 3 358.397 4.316 20 0 FIADHM O=C(CCCc1csc2ccccc12)Nc1n[n-]c(-c2ccco2)n1 ZINC000445789754 1108988817 /nfs/dbraw/zinc/98/88/17/1108988817.db2.gz IEVCWIYFQKEZPV-UHFFFAOYSA-N -1 3 352.419 4.241 20 0 FIADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(F)c(F)c1 ZINC000525161257 1109288903 /nfs/dbraw/zinc/28/89/03/1109288903.db2.gz RLDWPJKBGYUBGJ-QMMMGPOBSA-N -1 3 356.166 4.175 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC2(CCCC2)C1 ZINC000446641444 1109295489 /nfs/dbraw/zinc/29/54/89/1109295489.db2.gz FIXBGUFQEKQTPA-UHFFFAOYSA-N -1 3 367.287 4.021 20 0 FIADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1C(F)(F)F ZINC000525235745 1109314771 /nfs/dbraw/zinc/31/47/71/1109314771.db2.gz VGETYCXGTTZPOZ-JTQLQIEISA-N -1 3 364.327 4.216 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)CCCC(C)C)cc2)cc(=O)[n-]1 ZINC000525266473 1109325190 /nfs/dbraw/zinc/32/51/90/1109325190.db2.gz SFWZIGGHOIVSFN-AWEZNQCLSA-N -1 3 356.470 4.494 20 0 FIADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1C ZINC000446967662 1109406779 /nfs/dbraw/zinc/40/67/79/1109406779.db2.gz UFJMHMIUPCDSHK-UHFFFAOYSA-N -1 3 361.797 4.359 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1Oc1ccncc1 ZINC000447258549 1109489167 /nfs/dbraw/zinc/48/91/67/1109489167.db2.gz RMPJECBYPTWJFR-UHFFFAOYSA-N -1 3 358.394 4.122 20 0 FIADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H](C)S1 ZINC000525773189 1109513698 /nfs/dbraw/zinc/51/36/98/1109513698.db2.gz SBWMASBZAJUGKP-IYBDPMFKSA-N -1 3 355.503 4.143 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)c3ccco3)c2)n1 ZINC000528031973 1109888592 /nfs/dbraw/zinc/88/85/92/1109888592.db2.gz YZQRPWSCTZTCJD-CYBMUJFWSA-N -1 3 351.406 4.137 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000448944235 1109938677 /nfs/dbraw/zinc/93/86/77/1109938677.db2.gz BZEQGXDHGUNWHC-UHFFFAOYSA-N -1 3 363.379 4.323 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3scnc3C(C)C)s2)cc1 ZINC000448939020 1109944618 /nfs/dbraw/zinc/94/46/18/1109944618.db2.gz VBSWQODAOKENCZ-UHFFFAOYSA-N -1 3 358.492 4.270 20 0 FIADHM CC(C)c1ncsc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000448937582 1109944648 /nfs/dbraw/zinc/94/46/48/1109944648.db2.gz MNMIFABYTRGIIO-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM [O-]c1cccc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)c1Cl ZINC000449442893 1110080469 /nfs/dbraw/zinc/08/04/69/1110080469.db2.gz NOLVUBBVPWTFPA-CQSZACIVSA-N -1 3 359.775 4.278 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC000449917263 1110200169 /nfs/dbraw/zinc/20/01/69/1110200169.db2.gz ZGWYGJOADHZQCD-GXTWGEPZSA-N -1 3 351.780 4.134 20 0 FIADHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000450323147 1110283593 /nfs/dbraw/zinc/28/35/93/1110283593.db2.gz FTHXUASVPGKONE-NWDGAFQWSA-N -1 3 369.358 4.401 20 0 FIADHM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccc3)cs2)cc1 ZINC000127997213 1111116227 /nfs/dbraw/zinc/11/62/27/1111116227.db2.gz BDWDBYUIWPWNFX-INIZCTEOSA-N -1 3 361.426 4.080 20 0 FIADHM CSc1ccccc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000538586915 1111196030 /nfs/dbraw/zinc/19/60/30/1111196030.db2.gz XAMRSOWUNDCLIG-UHFFFAOYSA-N -1 3 352.253 4.058 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2)on1)c1csc(-c2cccs2)n1 ZINC000461641536 1111304798 /nfs/dbraw/zinc/30/47/98/1111304798.db2.gz JBNNWGYMOGAVBP-UHFFFAOYSA-N -1 3 353.428 4.201 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000552394955 1111691494 /nfs/dbraw/zinc/69/14/94/1111691494.db2.gz PTITYHYRZWRHOL-UHFFFAOYSA-N -1 3 368.330 4.403 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000552711059 1111788229 /nfs/dbraw/zinc/78/82/29/1111788229.db2.gz HGCZKMKMHKYWLP-UHFFFAOYSA-N -1 3 367.367 4.168 20 0 FIADHM CSc1ccc([O-])c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000667374131 1111845446 /nfs/dbraw/zinc/84/54/46/1111845446.db2.gz KFZNJKODMRJLHD-QGZVFWFLSA-N -1 3 369.446 4.094 20 0 FIADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000553006608 1111879754 /nfs/dbraw/zinc/87/97/54/1111879754.db2.gz JBGKKWINKGMKMV-SFHVURJKSA-N -1 3 365.477 4.334 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)c3ccc(F)c(Cl)c3)c[n-]c12 ZINC000553124693 1111912557 /nfs/dbraw/zinc/91/25/57/1111912557.db2.gz VCEFCLFECWYVMM-UHFFFAOYSA-N -1 3 362.763 4.045 20 0 FIADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1c(Cl)ccc2ccccc21 ZINC000553567410 1112009170 /nfs/dbraw/zinc/00/91/70/1112009170.db2.gz VVVOEJXOSVZDRJ-UHFFFAOYSA-N -1 3 363.788 4.112 20 0 FIADHM Cc1onc(-c2ccccc2C)c1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000479752703 1112130729 /nfs/dbraw/zinc/13/07/29/1112130729.db2.gz VCMJSTJKMVHMST-UHFFFAOYSA-N -1 3 358.401 4.023 20 0 FIADHM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1c(F)ccc([O-])c1F ZINC000480050255 1112253296 /nfs/dbraw/zinc/25/32/96/1112253296.db2.gz VCBRWQNSOVVHBD-YFHOEESVSA-N -1 3 360.385 4.003 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)C3CC3)cc2)cc1 ZINC000554281012 1112280010 /nfs/dbraw/zinc/28/00/10/1112280010.db2.gz KWXSXKVGGPTGAX-UHFFFAOYSA-N -1 3 372.490 4.171 20 0 FIADHM C[C@H](c1ccccc1Cl)N(C(=O)N=c1cc2ccccn2[n-]1)C1CC1 ZINC000554416416 1112338310 /nfs/dbraw/zinc/33/83/10/1112338310.db2.gz ZZWNWDUMFJINBX-CYBMUJFWSA-N -1 3 354.841 4.167 20 0 FIADHM CSc1ccc([O-])c(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000667647699 1112352306 /nfs/dbraw/zinc/35/23/06/1112352306.db2.gz CESASFVJHCQGOG-JXFKEZNVSA-N -1 3 371.502 4.354 20 0 FIADHM Cc1ccc2c(CSCc3cc(=O)[n-]c(C4CC4)n3)cc(=O)oc2c1C ZINC000842193808 1112477570 /nfs/dbraw/zinc/47/75/70/1112477570.db2.gz AREBULGBSATDTI-UHFFFAOYSA-N -1 3 368.458 4.216 20 0 FIADHM CCC[C@@H]1CCc2nc([N-]C(=O)c3ncoc3C(F)(F)F)sc2C1 ZINC000667726539 1112548454 /nfs/dbraw/zinc/54/84/54/1112548454.db2.gz DTVPDALHYUYGNR-MRVPVSSYSA-N -1 3 359.373 4.307 20 0 FIADHM O=C([N-]c1nc2cc(F)c(F)cc2s1)c1c(F)c(F)cc(F)c1F ZINC000480874882 1112645583 /nfs/dbraw/zinc/64/55/83/1112645583.db2.gz MPBFSCKPNGZBGB-UHFFFAOYSA-N -1 3 362.254 4.383 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1-c1ncco1 ZINC000481611586 1112994714 /nfs/dbraw/zinc/99/47/14/1112994714.db2.gz KZMPSNYNPMIYER-UHFFFAOYSA-N -1 3 368.458 4.330 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2c(C)[nH]c(C(=O)OCC)c2C)CC)n1 ZINC000600509122 1113065219 /nfs/dbraw/zinc/06/52/19/1113065219.db2.gz BQDZFIPRSVHCLB-GXDHUFHOSA-N -1 3 357.454 4.207 20 0 FIADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@@H]1C(F)(F)F ZINC000482017971 1113156220 /nfs/dbraw/zinc/15/62/20/1113156220.db2.gz POSRIUXNVNMEJA-HNNXBMFYSA-N -1 3 361.379 4.291 20 0 FIADHM C[C@H](NC(=O)c1cn[n-]n1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000482153250 1113185543 /nfs/dbraw/zinc/18/55/43/1113185543.db2.gz QMOSKJDKBPZWLY-VIFPVBQESA-N -1 3 366.368 4.043 20 0 FIADHM CSc1nsc([N-]C(=O)c2sc(-c3ccccc3C)nc2C)n1 ZINC000482709421 1113338435 /nfs/dbraw/zinc/33/84/35/1113338435.db2.gz BRVDEWXYTXNZIA-UHFFFAOYSA-N -1 3 362.505 4.253 20 0 FIADHM CC(=O)N(c1nc(C=Cc2nc(C)cc(=O)[n-]2)cs1)c1ccc(C)cc1 ZINC000486121086 1113509846 /nfs/dbraw/zinc/50/98/46/1113509846.db2.gz ATBDCRISSLNZII-RMKNXTFCSA-N -1 3 366.446 4.111 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2scnc2C2CC2)s1 ZINC000907166436 1113517888 /nfs/dbraw/zinc/51/78/88/1113517888.db2.gz VCRVNHVVXJYVPO-UHFFFAOYSA-N -1 3 366.468 4.076 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC=C(c3ccccc3)C2)s1 ZINC000907258809 1113528946 /nfs/dbraw/zinc/52/89/46/1113528946.db2.gz WSOSFODZBCMJJG-UHFFFAOYSA-N -1 3 371.462 4.030 20 0 FIADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cc2cc(Cl)ccc2s1 ZINC000486686886 1113623764 /nfs/dbraw/zinc/62/37/64/1113623764.db2.gz ZOCZQCLQZINWLV-NSHDSACASA-N -1 3 365.854 4.411 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cc(C3CC3)ccn2)s1 ZINC000908291967 1113631576 /nfs/dbraw/zinc/63/15/76/1113631576.db2.gz DTZXXYQUOHXXCV-UHFFFAOYSA-N -1 3 360.439 4.015 20 0 FIADHM CC[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000488687816 1113973544 /nfs/dbraw/zinc/97/35/44/1113973544.db2.gz RWESFKMSKDXSJJ-AWEZNQCLSA-N -1 3 362.267 4.355 20 0 FIADHM O=C(Cc1cccc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000488677618 1113974701 /nfs/dbraw/zinc/97/47/01/1113974701.db2.gz PMRDKWJXORMEJR-UHFFFAOYSA-N -1 3 370.246 4.167 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(-c3ccc(Cl)s3)o2)n1 ZINC000488852315 1114006539 /nfs/dbraw/zinc/00/65/39/1114006539.db2.gz JWXFWRDNNVGFSQ-SSDOTTSWSA-N -1 3 354.844 4.109 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1cc(F)ccc1Cl ZINC000488919007 1114015809 /nfs/dbraw/zinc/01/58/09/1114015809.db2.gz NXRJKDCJJPMICM-QGZVFWFLSA-N -1 3 365.813 4.140 20 0 FIADHM COc1cccc2[nH]cc(CC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c21 ZINC000489647534 1114149712 /nfs/dbraw/zinc/14/97/12/1114149712.db2.gz KFZYQKLVMBPSNI-UHFFFAOYSA-N -1 3 364.323 4.082 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1 ZINC000489665059 1114153358 /nfs/dbraw/zinc/15/33/58/1114153358.db2.gz LFTJGSIBNYKEGS-UHFFFAOYSA-N -1 3 350.374 4.149 20 0 FIADHM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000150915756 1114169424 /nfs/dbraw/zinc/16/94/24/1114169424.db2.gz QTFPGBSFIIXYSX-HNNXBMFYSA-N -1 3 361.873 4.184 20 0 FIADHM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2ccco2)[n-]n1 ZINC000913295968 1114324197 /nfs/dbraw/zinc/32/41/97/1114324197.db2.gz IIYUFCXSCFDSPM-OAQYLSRUSA-N -1 3 372.380 4.451 20 0 FIADHM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2ccco2)n[n-]1 ZINC000913295968 1114324200 /nfs/dbraw/zinc/32/42/00/1114324200.db2.gz IIYUFCXSCFDSPM-OAQYLSRUSA-N -1 3 372.380 4.451 20 0 FIADHM O=C(NCC1(Cc2ccccc2)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000490926922 1114350882 /nfs/dbraw/zinc/35/08/82/1114350882.db2.gz KZUHSXWZQWQMHO-UHFFFAOYSA-N -1 3 360.457 4.061 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OCC)cc2)cc1 ZINC000055600445 1114497896 /nfs/dbraw/zinc/49/78/96/1114497896.db2.gz QPHCTWXPCIRGMH-UHFFFAOYSA-N -1 3 362.451 4.008 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000572006755 1114597840 /nfs/dbraw/zinc/59/78/40/1114597840.db2.gz JLMQZYPWWDRGCW-DOTOQJQBSA-N -1 3 358.265 4.012 20 0 FIADHM Cc1ccc(C2(CNC(=O)c3cc(=O)c4ccccc4[n-]3)CCCC2)c(C)c1 ZINC000572275241 1114632062 /nfs/dbraw/zinc/63/20/62/1114632062.db2.gz GIOJGPLYXGBONV-UHFFFAOYSA-N -1 3 374.484 4.387 20 0 FIADHM COc1cc(/C=C/C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc(Cl)c1[O-] ZINC000164957614 1114664654 /nfs/dbraw/zinc/66/46/54/1114664654.db2.gz WYQTVYFDRNYRQB-QPJJXVBHSA-N -1 3 371.820 4.180 20 0 FIADHM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000588882361 1114667664 /nfs/dbraw/zinc/66/76/64/1114667664.db2.gz JCOMASANQOZGDW-UHFFFAOYSA-N -1 3 366.848 4.033 20 0 FIADHM O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000572983245 1114941076 /nfs/dbraw/zinc/94/10/76/1114941076.db2.gz LQWBCWXDMNREEN-IBGZPJMESA-N -1 3 371.440 4.144 20 0 FIADHM CC(C)C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccs1 ZINC000591816676 1115149161 /nfs/dbraw/zinc/14/91/61/1115149161.db2.gz ZSCCLPHASFSJNJ-ZDUSSCGKSA-N -1 3 363.426 4.231 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)nc3C3CC3)c2)n1 ZINC000573796789 1115182313 /nfs/dbraw/zinc/18/23/13/1115182313.db2.gz JMOJJJSJLCMVLJ-UHFFFAOYSA-N -1 3 374.444 4.245 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000669478932 1115308452 /nfs/dbraw/zinc/30/84/52/1115308452.db2.gz TZZRRNUJQLBFAM-KYNGSXCRSA-N -1 3 369.461 4.275 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCC[C@@H](C)C1 ZINC001212177522 1115532045 /nfs/dbraw/zinc/53/20/45/1115532045.db2.gz PQIAAJHJQGFUAO-WOPDTQHZSA-N -1 3 367.408 4.338 20 0 FIADHM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000575170416 1115550725 /nfs/dbraw/zinc/55/07/25/1115550725.db2.gz IVXRHJBPCPBKAY-ZDUSSCGKSA-N -1 3 365.685 4.357 20 0 FIADHM c1[n-][nH]c2ncnc(=N[C@@H](c3ccccc3)c3cccc4ccccc43)c1-2 ZINC000599944192 1115855998 /nfs/dbraw/zinc/85/59/98/1115855998.db2.gz YIKIANBOCBWHIS-FQEVSTJZSA-N -1 3 351.413 4.081 20 0 FIADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000605257461 1115878035 /nfs/dbraw/zinc/87/80/35/1115878035.db2.gz DIQGBZABFYTXLE-UHFFFAOYSA-N -1 3 373.453 4.011 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)cc2ccccc21 ZINC000606537256 1115953953 /nfs/dbraw/zinc/95/39/53/1115953953.db2.gz KOHVLOYSOCPWAY-UHFFFAOYSA-N -1 3 374.209 4.377 20 0 FIADHM CC(C)Cc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606536790 1115954067 /nfs/dbraw/zinc/95/40/67/1115954067.db2.gz HOXGXFHEENYYCT-UHFFFAOYSA-N -1 3 357.425 4.009 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCCCSCC(C)C)cc2)cc(=O)[n-]1 ZINC000534390581 1116192705 /nfs/dbraw/zinc/19/27/05/1116192705.db2.gz LONYGOXCCWLTEE-UHFFFAOYSA-N -1 3 374.510 4.058 20 0 FIADHM COc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1-c1ccccn1 ZINC000534397267 1116193500 /nfs/dbraw/zinc/19/35/00/1116193500.db2.gz BSPVQYDATOKPSM-UHFFFAOYSA-N -1 3 354.793 4.369 20 0 FIADHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000534701254 1116227086 /nfs/dbraw/zinc/22/70/86/1116227086.db2.gz QWXMIISAFNOJMR-UHFFFAOYSA-N -1 3 368.202 4.090 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)C3CCC3)cc2)cc1 ZINC000457376729 1116271004 /nfs/dbraw/zinc/27/10/04/1116271004.db2.gz OQBJPFVPUDLONQ-OAHLLOKOSA-N -1 3 372.490 4.171 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H](C2CCOCC2)C1 ZINC000535163815 1116275850 /nfs/dbraw/zinc/27/58/50/1116275850.db2.gz VJNJZJCXQAYPFA-QGZVFWFLSA-N -1 3 367.445 4.073 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]1c1ccccn1 ZINC000539842478 1116389727 /nfs/dbraw/zinc/38/97/27/1116389727.db2.gz DWHYHVULDGZRCW-NRFANRHFSA-N -1 3 358.441 4.355 20 0 FIADHM CCCc1nnc([N-]C(=O)c2csc(-c3ccc(OCC)cc3)n2)s1 ZINC000491289635 1117945634 /nfs/dbraw/zinc/94/56/34/1117945634.db2.gz NIEZDHYVLFNSSU-UHFFFAOYSA-N -1 3 374.491 4.265 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2cnc(Oc3ccccc3)cn2)c1F ZINC000540274430 1117972997 /nfs/dbraw/zinc/97/29/97/1117972997.db2.gz PIZVVWPGAVSFDU-UHFFFAOYSA-N -1 3 371.343 4.198 20 0 FIADHM Cn1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1-c1ccccc1 ZINC000540427191 1118051128 /nfs/dbraw/zinc/05/11/28/1118051128.db2.gz TXTFHJDQNQDCNW-UHFFFAOYSA-N -1 3 361.323 4.064 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C[C@@H]2C[C@@H]2C)cc1 ZINC000463464613 1118170886 /nfs/dbraw/zinc/17/08/86/1118170886.db2.gz NCZROMXMRZGZJQ-HOTGVXAUSA-N -1 3 372.490 4.089 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)c(C)c1 ZINC000463531792 1118197456 /nfs/dbraw/zinc/19/74/56/1118197456.db2.gz KKNBNKLAKLOPFZ-UHFFFAOYSA-N -1 3 357.884 4.180 20 0 FIADHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)Nc1ncccc1[O-] ZINC000541062598 1118366123 /nfs/dbraw/zinc/36/61/23/1118366123.db2.gz YMTDSLVMWUSDPL-UHFFFAOYSA-N -1 3 364.188 4.310 20 0 FIADHM Cc1ccc2oc(SCc3nc4c5ccccc5oc4c(=O)[n-]3)nc2n1 ZINC000542221264 1118850960 /nfs/dbraw/zinc/85/09/60/1118850960.db2.gz YJRGMEULGARWJJ-UHFFFAOYSA-N -1 3 364.386 4.219 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000177718104 1119347196 /nfs/dbraw/zinc/34/71/96/1119347196.db2.gz NQGXQFCQYTXQJH-UHFFFAOYSA-N -1 3 362.209 4.136 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(C(F)F)c1 ZINC000178021453 1119365602 /nfs/dbraw/zinc/36/56/02/1119365602.db2.gz BGDNCHQCNAYAFK-UHFFFAOYSA-N -1 3 356.166 4.022 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)c2ccccc21 ZINC000494030150 1119527699 /nfs/dbraw/zinc/52/76/99/1119527699.db2.gz ZQVIZJQYTGXLOK-ZDUSSCGKSA-N -1 3 360.388 4.311 20 0 FIADHM Cc1cccc(CN(Cc2cc([O-])cc(F)c2)Cc2cccc(C)n2)n1 ZINC000186265643 1119717211 /nfs/dbraw/zinc/71/72/11/1119717211.db2.gz KNBNJJNGJZHXSQ-UHFFFAOYSA-N -1 3 351.425 4.141 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191789094 1119995871 /nfs/dbraw/zinc/99/58/71/1119995871.db2.gz MGZVKDNXCPSMRW-UHFFFAOYSA-N -1 3 374.362 4.123 20 0 FIADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Cl)c(Br)c1 ZINC000224850676 1119999273 /nfs/dbraw/zinc/99/92/73/1119999273.db2.gz TXMFXGFWVQMSIZ-UGFHNGPFSA-N -1 3 372.690 4.320 20 0 FIADHM CC[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000191881395 1119999874 /nfs/dbraw/zinc/99/98/74/1119999874.db2.gz QFADOAWJDARHCP-CQSZACIVSA-N -1 3 374.506 4.479 20 0 FIADHM Cc1nc(C)c(CCC(=O)Nc2ccc(C(C)C)cc2C(C)C)c(=O)[n-]1 ZINC000192628507 1120071164 /nfs/dbraw/zinc/07/11/64/1120071164.db2.gz OHPJISAGNUGHCS-UHFFFAOYSA-N -1 3 355.482 4.205 20 0 FIADHM O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1cnn[n-]1 ZINC000194431811 1120272105 /nfs/dbraw/zinc/27/21/05/1120272105.db2.gz RYFPSEHNDSSTIT-UHFFFAOYSA-N -1 3 366.274 4.007 20 0 FIADHM O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1c[n-]nn1 ZINC000194431811 1120272109 /nfs/dbraw/zinc/27/21/09/1120272109.db2.gz RYFPSEHNDSSTIT-UHFFFAOYSA-N -1 3 366.274 4.007 20 0 FIADHM O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1cn[n-]n1 ZINC000194431811 1120272111 /nfs/dbraw/zinc/27/21/11/1120272111.db2.gz RYFPSEHNDSSTIT-UHFFFAOYSA-N -1 3 366.274 4.007 20 0 FIADHM COc1cccc(OC)c1OCc1nc(=O)c2c(C(C)C)csc2[n-]1 ZINC000494904034 1120366562 /nfs/dbraw/zinc/36/65/62/1120366562.db2.gz WRQMGIPOASELHE-UHFFFAOYSA-N -1 3 360.435 4.117 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Br)ccc1Cl ZINC000229018681 1120460343 /nfs/dbraw/zinc/46/03/43/1120460343.db2.gz RACAZXOKEVTFHJ-LKTVYLICSA-N -1 3 372.690 4.320 20 0 FIADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1ccc(-c2cc[nH]n2)s1 ZINC000761867063 1120559060 /nfs/dbraw/zinc/55/90/60/1120559060.db2.gz ASWNCUMACHKAMB-UHFFFAOYSA-N -1 3 371.422 4.048 20 0 FIADHM Cc1nccn1-c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cn1 ZINC000761917408 1120577351 /nfs/dbraw/zinc/57/73/51/1120577351.db2.gz HWKYXGBBRQLKBC-UHFFFAOYSA-N -1 3 369.384 4.152 20 0 FIADHM O=C(Nc1cc(F)ccc1C(=O)Nc1ccc(Cl)cc1[O-])c1ccoc1 ZINC000153450647 1120771801 /nfs/dbraw/zinc/77/18/01/1120771801.db2.gz UVWQAHMHDHAZAX-UHFFFAOYSA-N -1 3 374.755 4.282 20 0 FIADHM S=c1nc(-c2ccccn2)[n-]n1CN1CCCC[C@@H]1c1ccccc1 ZINC000762467295 1120911945 /nfs/dbraw/zinc/91/19/45/1120911945.db2.gz QHGFDUFUWFRIQX-QGZVFWFLSA-N -1 3 351.479 4.187 20 0 FIADHM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)o1 ZINC000029433171 1121038773 /nfs/dbraw/zinc/03/87/73/1121038773.db2.gz RMKLGRHWVNVMPH-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471941948 1121176220 /nfs/dbraw/zinc/17/62/20/1121176220.db2.gz RXBRNUUSGPPTEK-UHFFFAOYSA-N -1 3 354.793 4.410 20 0 FIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(F)c(Cl)cc1Cl ZINC000046758515 1121297203 /nfs/dbraw/zinc/29/72/03/1121297203.db2.gz UMQYBPSPLBWOOP-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM Cc1nc(-c2cccc(NC(=O)c3c[n-]c4ccccc4c3=O)c2)cs1 ZINC000032702409 1121342365 /nfs/dbraw/zinc/34/23/65/1121342365.db2.gz KASJBSJCXBHMKY-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000057126369 1121354076 /nfs/dbraw/zinc/35/40/76/1121354076.db2.gz FORBPOSCHLWNNV-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)c([O-])c1 ZINC000063583922 1121570711 /nfs/dbraw/zinc/57/07/11/1121570711.db2.gz YQNMHGLDYDTPOY-UHFFFAOYSA-N -1 3 356.441 4.371 20 0 FIADHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000125287619 1121766296 /nfs/dbraw/zinc/76/62/96/1121766296.db2.gz QZMRJIJWBGGPSP-LLVKDONJSA-N -1 3 367.323 4.020 20 0 FIADHM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125306147 1121767979 /nfs/dbraw/zinc/76/79/79/1121767979.db2.gz CTVPNLZFTQYACX-INIZCTEOSA-N -1 3 351.324 4.054 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](c4ccccc4)CC3)nc2)n1 ZINC000068699641 1121840212 /nfs/dbraw/zinc/84/02/12/1121840212.db2.gz QTYODEMSXYICAT-GOSISDBHSA-N -1 3 374.488 4.168 20 0 FIADHM CCOc1cc(CNc2cccc(NC(=O)OC)c2)cc(Cl)c1[O-] ZINC000916845320 1121887557 /nfs/dbraw/zinc/88/75/57/1121887557.db2.gz UVLAQZSOHZCQCZ-UHFFFAOYSA-N -1 3 350.802 4.235 20 0 FIADHM C[C@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@@H]1C ZINC000072869594 1121907923 /nfs/dbraw/zinc/90/79/23/1121907923.db2.gz PYISNRZHAYYNCW-RYUDHWBXSA-N -1 3 357.454 4.291 20 0 FIADHM O=C([N-]c1c(F)cc(Br)cc1F)c1scnc1C1CC1 ZINC000126540293 1121963761 /nfs/dbraw/zinc/96/37/61/1121963761.db2.gz ABOVKLJXRBTGNP-UHFFFAOYSA-N -1 3 359.195 4.314 20 0 FIADHM Cc1ccc(C2(C(=O)Nc3ccc(Cl)cc3[O-])CCOCC2)cc1C ZINC000654966239 1121978846 /nfs/dbraw/zinc/97/88/46/1121978846.db2.gz PGKPAIKENFENNR-UHFFFAOYSA-N -1 3 359.853 4.349 20 0 FIADHM Cc1nc2cc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)ccc2o1 ZINC000127099782 1122048290 /nfs/dbraw/zinc/04/82/90/1122048290.db2.gz OZIKTTUXFQDBQL-UHFFFAOYSA-N -1 3 370.352 4.097 20 0 FIADHM O=S(=O)([N-]c1cccc(O)c1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000127879636 1122157941 /nfs/dbraw/zinc/15/79/41/1122157941.db2.gz RYMPDJSTELGLDL-UHFFFAOYSA-N -1 3 369.723 4.004 20 0 FIADHM Cc1nc(Cc2ccccc2)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000067551854 1122173278 /nfs/dbraw/zinc/17/32/78/1122173278.db2.gz CJVFKNZFZATHGZ-UHFFFAOYSA-N -1 3 366.418 4.084 20 0 FIADHM Cc1nn(-c2ccc(C(=O)Nc3cccc([O-])c3F)cc2)c(C)c1Cl ZINC000128477082 1122310679 /nfs/dbraw/zinc/31/06/79/1122310679.db2.gz SMCFMAPMVICOID-UHFFFAOYSA-N -1 3 359.788 4.240 20 0 FIADHM CCC[C@@H](C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)c1ccccc1 ZINC000068225182 1122329113 /nfs/dbraw/zinc/32/91/13/1122329113.db2.gz HJQJQGMSYLLDOW-LJQANCHMSA-N -1 3 361.445 4.268 20 0 FIADHM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc([O-])c1F ZINC000128692598 1122377756 /nfs/dbraw/zinc/37/77/56/1122377756.db2.gz YXYKBLIXORMXGB-SECBINFHSA-N -1 3 370.193 4.250 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2Cl)n[nH]1 ZINC000497895275 1122457095 /nfs/dbraw/zinc/45/70/95/1122457095.db2.gz JVYZFWOTKBRCOW-UHFFFAOYSA-N -1 3 363.204 4.045 20 0 FIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)c1 ZINC000033432546 1122488936 /nfs/dbraw/zinc/48/89/36/1122488936.db2.gz ZDKSFLZJJFUPDD-UHFFFAOYSA-N -1 3 358.438 4.154 20 0 FIADHM CC(C)Cc1nc(C(=O)[N-]c2nc(-c3cccs3)ns2)cs1 ZINC000497974876 1122494965 /nfs/dbraw/zinc/49/49/65/1122494965.db2.gz JJYIGOAXHPAHSH-UHFFFAOYSA-N -1 3 350.494 4.174 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(Br)s1 ZINC000497977882 1122496948 /nfs/dbraw/zinc/49/69/48/1122496948.db2.gz YCBVPNXHMJNKQW-UHFFFAOYSA-N -1 3 372.294 4.343 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000498005639 1122519760 /nfs/dbraw/zinc/51/97/60/1122519760.db2.gz IXDDWPZVXPUMNP-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000129477891 1122611134 /nfs/dbraw/zinc/61/11/34/1122611134.db2.gz CXKXNRKHKZVPFK-FQEVSTJZSA-N -1 3 368.383 4.259 20 0 FIADHM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693355 1122651269 /nfs/dbraw/zinc/65/12/69/1122651269.db2.gz JYDICGAAYMHMPB-QGZVFWFLSA-N -1 3 374.868 4.137 20 0 FIADHM O=C(CSc1cccc(Br)c1)Nc1cccc([O-])c1F ZINC000129980281 1122717788 /nfs/dbraw/zinc/71/77/88/1122717788.db2.gz PJUBYBRCSHSLNK-UHFFFAOYSA-N -1 3 356.216 4.025 20 0 FIADHM O=C(Nc1cccc(COc2ccccc2)c1)c1c[n-]c2ccccc2c1=O ZINC000918677515 1122748312 /nfs/dbraw/zinc/74/83/12/1122748312.db2.gz ZIBBYHWXZAMHKZ-UHFFFAOYSA-N -1 3 370.408 4.359 20 0 FIADHM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cc([O-])ccc2Cl)no1 ZINC000498597883 1122899959 /nfs/dbraw/zinc/89/99/59/1122899959.db2.gz NHUYCXVKVGOFQG-HNNXBMFYSA-N -1 3 363.845 4.310 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3csc(-c4ccco4)n3)n[n-]2)o1 ZINC000919329424 1122953190 /nfs/dbraw/zinc/95/31/90/1122953190.db2.gz ZVXROQXHZKJJGB-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3csc(-c4ccco4)n3)[n-]n2)o1 ZINC000919329424 1122953194 /nfs/dbraw/zinc/95/31/94/1122953194.db2.gz ZVXROQXHZKJJGB-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM Cc1cccc(Cl)c1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000132986838 1123394918 /nfs/dbraw/zinc/39/49/18/1123394918.db2.gz VMHUZDPYUZIYHO-UHFFFAOYSA-N -1 3 369.646 4.438 20 0 FIADHM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000134109208 1123592921 /nfs/dbraw/zinc/59/29/21/1123592921.db2.gz PUBAAYGSTKFAOD-MRVPVSSYSA-N -1 3 360.357 4.136 20 0 FIADHM O=C(Cc1coc(-c2cccs2)n1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134146932 1123596711 /nfs/dbraw/zinc/59/67/11/1123596711.db2.gz AJEDFWHFHCQHFK-UHFFFAOYSA-N -1 3 368.336 4.309 20 0 FIADHM C[C@H]1[C@H](c2ccccc2)CCN1Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000175269151 1123797370 /nfs/dbraw/zinc/79/73/70/1123797370.db2.gz NWNJSJRCSUMNPY-WMLDXEAASA-N -1 3 370.547 4.428 20 0 FIADHM C[C@H]1[C@@H](c2ccccc2)CCN1Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000175269181 1123797704 /nfs/dbraw/zinc/79/77/04/1123797704.db2.gz NWNJSJRCSUMNPY-YOEHRIQHSA-N -1 3 370.547 4.428 20 0 FIADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000615251311 1123976942 /nfs/dbraw/zinc/97/69/42/1123976942.db2.gz BSHFBPUBBQISNK-AWEZNQCLSA-N -1 3 363.788 4.230 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)cc1 ZINC000080942120 1123977902 /nfs/dbraw/zinc/97/79/02/1123977902.db2.gz ZFWNWRWIHRLHCQ-CQSZACIVSA-N -1 3 374.506 4.011 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000616329310 1124288720 /nfs/dbraw/zinc/28/87/20/1124288720.db2.gz WBZUFCIXXHJPEG-AZUAARDMSA-N -1 3 366.461 4.149 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(COc2ccccc2)cc1 ZINC000303873502 1124508603 /nfs/dbraw/zinc/50/86/03/1124508603.db2.gz XVJKNTPVWOTNQF-UHFFFAOYSA-N -1 3 351.377 4.040 20 0 FIADHM Cc1cc(Oc2ccccc2)ccc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000672102238 1124560806 /nfs/dbraw/zinc/56/08/06/1124560806.db2.gz KGHCCAZDHAOXPZ-CQSZACIVSA-N -1 3 364.323 4.165 20 0 FIADHM S=c1[n-]nc(Cc2cccs2)n1CN1CCC[C@H]1Cc1ccccc1 ZINC000069373036 1124831934 /nfs/dbraw/zinc/83/19/34/1124831934.db2.gz LVRTUXSHGQJQBG-INIZCTEOSA-N -1 3 370.547 4.258 20 0 FIADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(SC)ccc2[O-])cc1F ZINC000618387898 1125159246 /nfs/dbraw/zinc/15/92/46/1125159246.db2.gz FDXWHIGSRLQBAC-INIZCTEOSA-N -1 3 361.438 4.239 20 0 FIADHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)c1c(F)cccc1Cl ZINC000465986082 1125184941 /nfs/dbraw/zinc/18/49/41/1125184941.db2.gz RSCXBBHMPGMJIE-UHFFFAOYSA-N -1 3 368.811 4.101 20 0 FIADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000465990826 1125230063 /nfs/dbraw/zinc/23/00/63/1125230063.db2.gz YZQZCLCYQNNTOM-SFHVURJKSA-N -1 3 362.420 4.079 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000092763859 1125241963 /nfs/dbraw/zinc/24/19/63/1125241963.db2.gz ZVPBBOOWBNXZFW-UHFFFAOYSA-N -1 3 351.402 4.096 20 0 FIADHM C[C@H](CCC[C@H](C)NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000499621160 1125316064 /nfs/dbraw/zinc/31/60/64/1125316064.db2.gz HBJCRWNCLWVGFM-OLZOCXBDSA-N -1 3 350.459 4.318 20 0 FIADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000188642614 568033318 /nfs/dbraw/zinc/03/33/18/568033318.db2.gz BZNRKSOBHFAAMX-AWEZNQCLSA-N -1 3 357.759 4.050 20 0 FIADHM O=C(Nc1ccc(Br)cc1F)c1cn[n-]c1-c1ccsc1 ZINC000186991186 568039708 /nfs/dbraw/zinc/03/97/08/568039708.db2.gz YNUIMUJULHCKGQ-UHFFFAOYSA-N -1 3 366.215 4.292 20 0 FIADHM O=C(Nc1ccc(Br)cc1F)c1c[n-]nc1-c1ccsc1 ZINC000186991186 568039711 /nfs/dbraw/zinc/03/97/11/568039711.db2.gz YNUIMUJULHCKGQ-UHFFFAOYSA-N -1 3 366.215 4.292 20 0 FIADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000187014941 568050652 /nfs/dbraw/zinc/05/06/52/568050652.db2.gz GJDQEDONVKEBKF-UHFFFAOYSA-N -1 3 369.418 4.023 20 0 FIADHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c1-c1ccccc1 ZINC000603546916 568117995 /nfs/dbraw/zinc/11/79/95/568117995.db2.gz DUSZBTOJVMINDW-GFCCVEGCSA-N -1 3 373.815 4.006 20 0 FIADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3ccc(F)cc3F)n[nH]2)cc1 ZINC000008115508 568146670 /nfs/dbraw/zinc/14/66/70/568146670.db2.gz GKQFGQUXAJWMOJ-UHFFFAOYSA-N -1 3 356.376 4.300 20 0 FIADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)c2cccnc2)c1Cl ZINC000007147000 568184750 /nfs/dbraw/zinc/18/47/50/568184750.db2.gz VUMOXXWKWZCSGB-NSHDSACASA-N -1 3 359.278 4.045 20 0 FIADHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)on1 ZINC000603946215 568186321 /nfs/dbraw/zinc/18/63/21/568186321.db2.gz KBMYRFHVLKDPBM-UHFFFAOYSA-N -1 3 370.430 4.176 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000522783728 568186562 /nfs/dbraw/zinc/18/65/62/568186562.db2.gz OTTVGXQYUWNDAE-UHFFFAOYSA-N -1 3 366.446 4.312 20 0 FIADHM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)ccc1C(F)(F)F ZINC000647746354 568358403 /nfs/dbraw/zinc/35/84/03/568358403.db2.gz WRPFFWCFJMGIKW-UHFFFAOYSA-N -1 3 367.371 4.368 20 0 FIADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(Br)cc3[O-])cc21 ZINC000604861363 568379358 /nfs/dbraw/zinc/37/93/58/568379358.db2.gz ASUPSSVENUPMHW-UHFFFAOYSA-N -1 3 363.186 4.336 20 0 FIADHM CC[C@H](C)[C@H](C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1)c1ccccc1 ZINC000604901295 568384801 /nfs/dbraw/zinc/38/48/01/568384801.db2.gz WILIZSAELLULGF-BTYIYWSLSA-N -1 3 363.461 4.276 20 0 FIADHM CC(=O)c1sc2[n-]c(CSc3ccc(F)cc3F)nc(=O)c2c1C ZINC000006935057 568411449 /nfs/dbraw/zinc/41/14/49/568411449.db2.gz HUMSBKNBOVIGNR-UHFFFAOYSA-N -1 3 366.414 4.066 20 0 FIADHM Cc1ccc(-c2nsc([N-]C(=O)c3coc(Br)c3)n2)s1 ZINC000066413056 1125567864 /nfs/dbraw/zinc/56/78/64/1125567864.db2.gz SICNBHDLMGURKI-UHFFFAOYSA-N -1 3 370.253 4.183 20 0 FIADHM CC(C)CN(CCC(=O)[O-])Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000579719490 1079575751 /nfs/dbraw/zinc/57/57/51/1079575751.db2.gz FEYAALZAIUOAHY-UHFFFAOYSA-N -1 3 352.887 4.396 20 0 FIADHM CCCCn1ncc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1C ZINC000160194371 1079587174 /nfs/dbraw/zinc/58/71/74/1079587174.db2.gz JYXCBEQDIGYHQP-PKNBQFBNSA-N -1 3 353.875 4.058 20 0 FIADHM COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000616329162 1079597074 /nfs/dbraw/zinc/59/70/74/1079597074.db2.gz UNENZIKVGSHPIU-MSOLQXFVSA-N -1 3 369.461 4.208 20 0 FIADHM CC[C@@H](C)Oc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000683170332 1079794757 /nfs/dbraw/zinc/79/47/57/1079794757.db2.gz KZVJWGRBUHZOTQ-CJNGLKHVSA-N -1 3 363.479 4.240 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000683171231 1079801573 /nfs/dbraw/zinc/80/15/73/1079801573.db2.gz HITVBHGGKGRPIP-INIZCTEOSA-N -1 3 371.330 4.159 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000683172203 1079806515 /nfs/dbraw/zinc/80/65/15/1079806515.db2.gz VYZMLJRRRSKPJD-INIZCTEOSA-N -1 3 353.340 4.020 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC ZINC000683173581 1079815787 /nfs/dbraw/zinc/81/57/87/1079815787.db2.gz MWCWGOZRXDIGQJ-HRAATJIYSA-N -1 3 371.477 4.405 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)s1 ZINC000683188413 1079880231 /nfs/dbraw/zinc/88/02/31/1079880231.db2.gz AOLBKXSZVBAOFP-UHFFFAOYSA-N -1 3 351.300 4.211 20 0 FIADHM CC(C)[C@H]1CCc2nc([N-]C(=O)c3conc3C(F)(F)F)sc2C1 ZINC000890595682 1080036455 /nfs/dbraw/zinc/03/64/55/1080036455.db2.gz MKQKRBRBHVPQTK-QMMMGPOBSA-N -1 3 359.373 4.163 20 0 FIADHM CCSCc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC001648789297 1080196726 /nfs/dbraw/zinc/19/67/26/1080196726.db2.gz KAFRZYFDVPIEDU-UHFFFAOYSA-N -1 3 352.459 4.342 20 0 FIADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180284746 1080476050 /nfs/dbraw/zinc/47/60/50/1080476050.db2.gz IWNBUZMKPIBIMH-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000471279582 1080800101 /nfs/dbraw/zinc/80/01/01/1080800101.db2.gz WEUZEDKOICWJLI-UHFFFAOYSA-N -1 3 355.344 4.054 20 0 FIADHM O=C(Nc1nccs1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430404429 1080911327 /nfs/dbraw/zinc/91/13/27/1080911327.db2.gz IKODOAVLGKPJOE-UHFFFAOYSA-N -1 3 363.398 4.029 20 0 FIADHM COCc1nc(C(=O)[N-]c2cc(-c3ccc(C(C)(C)C)cc3)no2)co1 ZINC000547857630 1080980336 /nfs/dbraw/zinc/98/03/36/1080980336.db2.gz WKWXWFPCNRBJEB-UHFFFAOYSA-N -1 3 355.394 4.026 20 0 FIADHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3coc(C4CCC4)n3)n[nH]2)cc1 ZINC000683474868 1081025562 /nfs/dbraw/zinc/02/55/62/1081025562.db2.gz FWSIWAUJEIJEKL-UHFFFAOYSA-N -1 3 365.437 4.277 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000580035013 1081503837 /nfs/dbraw/zinc/50/38/37/1081503837.db2.gz DTXWWBQSVABKRS-DGCLKSJQSA-N -1 3 368.264 4.012 20 0 FIADHM COc1c(F)c(F)c(Nc2cccc([O-])c2Br)c(F)c1F ZINC001210765239 1081575355 /nfs/dbraw/zinc/57/53/55/1081575355.db2.gz DAJXTBPYAKPQMG-UHFFFAOYSA-N -1 3 366.108 4.463 20 0 FIADHM Cc1cnc(Nc2cccc([O-])c2Cl)c(I)c1 ZINC001210844883 1081771419 /nfs/dbraw/zinc/77/14/19/1081771419.db2.gz PVIHNSCPYHRFBE-UHFFFAOYSA-N -1 3 360.582 4.097 20 0 FIADHM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000580253084 1081782733 /nfs/dbraw/zinc/78/27/33/1081782733.db2.gz SLIZGJPMSYVEMV-HOTGVXAUSA-N -1 3 370.207 4.098 20 0 FIADHM CSc1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)co1 ZINC001125438082 1081831469 /nfs/dbraw/zinc/83/14/69/1081831469.db2.gz YNAWQLPZPJLDKW-UHFFFAOYSA-N -1 3 351.840 4.426 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2csc(-c3ccc(C)cc3)n2)c1[O-] ZINC000556892588 1081901696 /nfs/dbraw/zinc/90/16/96/1081901696.db2.gz NKCVZUUIKGDWJA-UHFFFAOYSA-N -1 3 352.415 4.279 20 0 FIADHM O=C([N-]c1ccccc1SC1CCCC1)c1csc(-c2nc[nH]n2)n1 ZINC000060348454 1081938736 /nfs/dbraw/zinc/93/87/36/1081938736.db2.gz JIOVNROJOHSWQM-UHFFFAOYSA-N -1 3 371.491 4.215 20 0 FIADHM O=S(=O)([N-]c1ccccc1F)c1ccc(SC(F)(F)F)cc1 ZINC000064937644 1081964800 /nfs/dbraw/zinc/96/48/00/1081964800.db2.gz VDCNDFKHOXVNSL-UHFFFAOYSA-N -1 3 351.346 4.238 20 0 FIADHM Cc1cc(C)cc(C2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)c1 ZINC000891291077 1081984489 /nfs/dbraw/zinc/98/44/89/1081984489.db2.gz HYHGEUBCIYWAGC-UHFFFAOYSA-N -1 3 360.457 4.165 20 0 FIADHM CCc1ncc(S(=O)(=O)[N-][C@@H](CC2CCCC2)c2ccccc2)s1 ZINC001211132596 1081988268 /nfs/dbraw/zinc/98/82/68/1081988268.db2.gz PGQIEIDEEATHEW-INIZCTEOSA-N -1 3 364.536 4.305 20 0 FIADHM CCOc1cc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)cc(Cl)c1[O-] ZINC000656278384 1082098646 /nfs/dbraw/zinc/09/86/46/1082098646.db2.gz QXMLDNZDEXLYNX-BXUZGUMPSA-N -1 3 367.795 4.034 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2nc(C3CCCCC3)cs2)C[C@@H]1c1ccccc1 ZINC000580955811 1082251032 /nfs/dbraw/zinc/25/10/32/1082251032.db2.gz PZROBGQQAVMMAD-QZTJIDSGSA-N -1 3 370.518 4.491 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2csc(-c3c(F)cccc3F)n2)c1[O-] ZINC000581098846 1082312498 /nfs/dbraw/zinc/31/24/98/1082312498.db2.gz MHNYHHNWEPDIEY-UHFFFAOYSA-N -1 3 374.368 4.249 20 0 FIADHM [O-]c1cccc(CN2CCCO[C@H](c3ccccc3)C2)c1Br ZINC000656431925 1082388403 /nfs/dbraw/zinc/38/84/03/1082388403.db2.gz JLZHKTNICRQWNH-KRWDZBQOSA-N -1 3 362.267 4.118 20 0 FIADHM [O-]c1cccc(CN2CCCO[C@@H](c3ccccc3)C2)c1Br ZINC000656431926 1082388686 /nfs/dbraw/zinc/38/86/86/1082388686.db2.gz JLZHKTNICRQWNH-QGZVFWFLSA-N -1 3 362.267 4.118 20 0 FIADHM Cc1c2ccccc2nc(CN2CCC(OC3CCCC3)CC2)c1C(=O)[O-] ZINC000581315759 1082454224 /nfs/dbraw/zinc/45/42/24/1082454224.db2.gz RDKPPQQIDDRVLW-UHFFFAOYSA-N -1 3 368.477 4.165 20 0 FIADHM CCc1ccc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000276177959 1082542722 /nfs/dbraw/zinc/54/27/22/1082542722.db2.gz GIAWJPJCBVCCAQ-YLJYHZDGSA-N -1 3 357.425 4.086 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)C3CCCCCC3)cc2)cc(=O)[n-]1 ZINC000328791467 1082585039 /nfs/dbraw/zinc/58/50/39/1082585039.db2.gz MAIHSERCYUZINL-UHFFFAOYSA-N -1 3 354.454 4.344 20 0 FIADHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCSc2ccc(Cl)cc2)C1 ZINC000656756538 1082751448 /nfs/dbraw/zinc/75/14/48/1082751448.db2.gz DWRACXWVSNWPBD-MNOVXSKESA-N -1 3 367.820 4.017 20 0 FIADHM O=C([O-])c1cccc(Br)c1CN1CCC(C2CCC2)CC1 ZINC000656759709 1082751977 /nfs/dbraw/zinc/75/19/77/1082751977.db2.gz KBHJOQFFDGPADO-UHFFFAOYSA-N -1 3 352.272 4.159 20 0 FIADHM CCO[C@H]1C[C@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1(CC)CC ZINC000564462119 1082952904 /nfs/dbraw/zinc/95/29/04/1082952904.db2.gz MGDJNLJJSHYMFE-IRXDYDNUSA-N -1 3 353.890 4.454 20 0 FIADHM CC(C)Cn1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1C1CC1 ZINC000159356756 1083271073 /nfs/dbraw/zinc/27/10/73/1083271073.db2.gz NZODDWHBMAKQDJ-UHFFFAOYSA-N -1 3 367.371 4.393 20 0 FIADHM COC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000685747310 1083575770 /nfs/dbraw/zinc/57/57/70/1083575770.db2.gz APBBWRBYOTVQQW-OAHLLOKOSA-N -1 3 373.758 4.182 20 0 FIADHM Cc1ccc(OCc2nc(CNC[C@H]3CC[C@H](C(=O)[O-])CC3)cs2)cc1 ZINC000276993659 1083706744 /nfs/dbraw/zinc/70/67/44/1083706744.db2.gz KFSKHYIRIXBIMT-WKILWMFISA-N -1 3 374.506 4.011 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000685779875 1083867636 /nfs/dbraw/zinc/86/76/36/1083867636.db2.gz WUYBBHYBDTWAFL-UHFFFAOYSA-N -1 3 369.770 4.379 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@H](C)CCCC(=O)[O-] ZINC000277222414 1084035101 /nfs/dbraw/zinc/03/51/01/1084035101.db2.gz HYNGODQDOGWQNW-LLVKDONJSA-N -1 3 370.280 4.221 20 0 FIADHM Cc1nc(Cc2ccccc2)sc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000068072506 1084038314 /nfs/dbraw/zinc/03/83/14/1084038314.db2.gz FSGSVXQYMMQRKO-UHFFFAOYSA-N -1 3 372.519 4.444 20 0 FIADHM C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000570403219 1084103517 /nfs/dbraw/zinc/10/35/17/1084103517.db2.gz KKLGNLZZPQFPOE-QRWLVFNGSA-N -1 3 362.429 4.418 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(OCc2ccccc2F)CC1 ZINC000685810889 1084116188 /nfs/dbraw/zinc/11/61/88/1084116188.db2.gz YUKGRXFERVBPSE-UHFFFAOYSA-N -1 3 363.816 4.006 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000612861486 1084157562 /nfs/dbraw/zinc/15/75/62/1084157562.db2.gz YFJQWCGYVXTDTQ-GFCCVEGCSA-N -1 3 363.866 4.061 20 0 FIADHM COCCOc1ccc(C(F)(F)F)cc1NCc1cc([O-])cc(F)c1 ZINC000472059488 1084201241 /nfs/dbraw/zinc/20/12/41/1084201241.db2.gz NHLMCQAUVZZYRQ-UHFFFAOYSA-N -1 3 359.319 4.187 20 0 FIADHM CCOC(=O)c1nnc([N-]C(=O)c2sccc2-c2ccc(C)cc2)s1 ZINC000119659916 1084280176 /nfs/dbraw/zinc/28/01/76/1084280176.db2.gz SMXHJYYZIQDFPH-UHFFFAOYSA-N -1 3 373.459 4.004 20 0 FIADHM COc1cc(-c2nc3cc(Br)ccc3n2C)cc(Cl)c1[O-] ZINC000613292980 1084554526 /nfs/dbraw/zinc/55/45/26/1084554526.db2.gz CDUIQWYBNNIJNT-UHFFFAOYSA-N -1 3 367.630 4.370 20 0 FIADHM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000613341216 1084618317 /nfs/dbraw/zinc/61/83/17/1084618317.db2.gz FQIHMRKWRHYSRK-UHFFFAOYSA-N -1 3 365.220 4.333 20 0 FIADHM CC(C)c1nc([C@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)no1 ZINC000329978953 1084842652 /nfs/dbraw/zinc/84/26/52/1084842652.db2.gz IOMPJBFHKCNQDC-MRXNPFEDSA-N -1 3 351.406 4.029 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=CSCc3ccco3)cc2)n1 ZINC000255892421 1084875403 /nfs/dbraw/zinc/87/54/03/1084875403.db2.gz DMNZFFJJEGMOGN-NTMALXAHSA-N -1 3 367.430 4.136 20 0 FIADHM N#CC(=C([O-])C=Cc1ccccc1F)c1nc2ccccc2n1C(F)F ZINC000051655459 1084973227 /nfs/dbraw/zinc/97/32/27/1084973227.db2.gz IJPXUQTTZLZKDW-WTNCMQEWSA-N -1 3 355.319 4.460 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(O)ccc3Cl)c2)n1 ZINC000376424625 1085063469 /nfs/dbraw/zinc/06/34/69/1085063469.db2.gz ANRJUJBRSORWFT-UHFFFAOYSA-N -1 3 369.808 4.023 20 0 FIADHM COCCN(CCCc1ccccc1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000582490737 1085066368 /nfs/dbraw/zinc/06/63/68/1085066368.db2.gz LSSHZZDFKHPGME-UHFFFAOYSA-N -1 3 361.869 4.119 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(OCc3ccccc3)cc2)n1 ZINC000660748013 1085250402 /nfs/dbraw/zinc/25/04/02/1085250402.db2.gz XICYDBDEYFIOCI-UHFFFAOYSA-N -1 3 363.461 4.095 20 0 FIADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000125678142 1085364765 /nfs/dbraw/zinc/36/47/65/1085364765.db2.gz NQYFLIVCBZNDHZ-UHFFFAOYSA-N -1 3 364.261 4.067 20 0 FIADHM Cc1cccc(C)c1NC(=O)Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000277810887 1085433661 /nfs/dbraw/zinc/43/36/61/1085433661.db2.gz JLDGJQVMTLRPEV-UHFFFAOYSA-N -1 3 365.433 4.364 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(C)C)cc3)c2)n1 ZINC000049302206 1085443663 /nfs/dbraw/zinc/44/36/63/1085443663.db2.gz FWSGHLOFJDILCF-UHFFFAOYSA-N -1 3 361.445 4.375 20 0 FIADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617095958 1085546760 /nfs/dbraw/zinc/54/67/60/1085546760.db2.gz ACCFWZYMXDIALV-UHFFFAOYSA-N -1 3 356.451 4.342 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC(c2cccc3ccccc32)CC1 ZINC000548763069 1085656228 /nfs/dbraw/zinc/65/62/28/1085656228.db2.gz KYJOLHXOGNMOQV-UHFFFAOYSA-N -1 3 370.456 4.321 20 0 FIADHM [O-]c1cccc(CNCc2cccc(OC3CC3)c2F)c1Br ZINC000657621209 1085702832 /nfs/dbraw/zinc/70/28/32/1085702832.db2.gz JJLWZJJQAVICCQ-UHFFFAOYSA-N -1 3 366.230 4.125 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4ccccc4)[C@H](C)C3)nc2)n1 ZINC000078410721 1085748473 /nfs/dbraw/zinc/74/84/73/1085748473.db2.gz IZXQRPPUCJDDTD-OXQOHEQNSA-N -1 3 374.488 4.024 20 0 FIADHM C[C@@H](Sc1cccnn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000511895371 1085759268 /nfs/dbraw/zinc/75/92/68/1085759268.db2.gz HVGWCTBVGVCBBC-SECBINFHSA-N -1 3 356.432 4.300 20 0 FIADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000326954627 1085796384 /nfs/dbraw/zinc/79/63/84/1085796384.db2.gz ZJLRWFJDWFHXPG-AWEZNQCLSA-N -1 3 362.857 4.318 20 0 FIADHM [O-]c1cc(F)cc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000473150313 1085844615 /nfs/dbraw/zinc/84/46/15/1085844615.db2.gz XDCILUKDOAZERG-QGZVFWFLSA-N -1 3 355.331 4.124 20 0 FIADHM COc1cc(OC)c([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)cc1Cl ZINC000104766490 1085901600 /nfs/dbraw/zinc/90/16/00/1085901600.db2.gz KUQKDRGIMAJAIR-CMDGGOBGSA-N -1 3 367.854 4.078 20 0 FIADHM CC(C)(CC(=O)[O-])NCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000566419287 1085979084 /nfs/dbraw/zinc/97/90/84/1085979084.db2.gz RWHXRALSMHLINY-UHFFFAOYSA-N -1 3 359.278 4.460 20 0 FIADHM Cc1c2ccccc2nc(CN2CC[C@H](C(F)(F)F)C2(C)C)c1C(=O)[O-] ZINC000652444539 1086065480 /nfs/dbraw/zinc/06/54/80/1086065480.db2.gz BDNHXUBNMXYSLJ-HNNXBMFYSA-N -1 3 366.383 4.404 20 0 FIADHM O=C([O-])c1cccc(CCNCc2cc(Cl)ccc2Br)c1 ZINC000426704207 1086191342 /nfs/dbraw/zinc/19/13/42/1086191342.db2.gz JOPVNWQUCNRRIW-UHFFFAOYSA-N -1 3 368.658 4.133 20 0 FIADHM CC1C[C@H]2CC[C@@H](C1)N2Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000662130624 1086195305 /nfs/dbraw/zinc/19/53/05/1086195305.db2.gz CFYFBOWHGIQKBQ-YHWZYXNKSA-N -1 3 355.463 4.420 20 0 FIADHM C[C@@]1(c2cccc(F)c2)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000652619982 1086290687 /nfs/dbraw/zinc/29/06/87/1086290687.db2.gz XNXZPKHBCULXIH-OAQYLSRUSA-N -1 3 359.416 4.183 20 0 FIADHM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc2C)n1 ZINC000150799070 1086331609 /nfs/dbraw/zinc/33/16/09/1086331609.db2.gz VRSPGDLOXRTXAD-UHFFFAOYSA-N -1 3 360.410 4.207 20 0 FIADHM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc2C)n1 ZINC000150800536 1086333754 /nfs/dbraw/zinc/33/37/54/1086333754.db2.gz KXMCPEPOFQOILO-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM COc1c(Cl)cc(Cl)cc1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663261578 1086342034 /nfs/dbraw/zinc/34/20/34/1086342034.db2.gz LSQUTTIYAMSVMT-SECBINFHSA-N -1 3 374.186 4.135 20 0 FIADHM CSc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000663261613 1086342746 /nfs/dbraw/zinc/34/27/46/1086342746.db2.gz MHJKLKXMSWMPRG-CYBMUJFWSA-N -1 3 361.410 4.404 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1C ZINC000150803591 1086352663 /nfs/dbraw/zinc/35/26/63/1086352663.db2.gz AWFUNBYJNMOQAZ-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC(C)(C)c4ccccc43)nc2)n1 ZINC000154867128 1086443346 /nfs/dbraw/zinc/44/33/46/1086443346.db2.gz YDTZSSAJLMVBCN-GOSISDBHSA-N -1 3 360.461 4.229 20 0 FIADHM C/C=C(/CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000588574522 1086534505 /nfs/dbraw/zinc/53/45/05/1086534505.db2.gz RILFGBMLGMFUBU-TVPGTPATSA-N -1 3 358.463 4.091 20 0 FIADHM CCOC(=O)C(=Cc1cccc(C)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000006612614 1086562263 /nfs/dbraw/zinc/56/22/63/1086562263.db2.gz MJGUHZMKKMVDLL-GDNBJRDFSA-N -1 3 368.458 4.014 20 0 FIADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1C ZINC001211696094 1086586704 /nfs/dbraw/zinc/58/67/04/1086586704.db2.gz ACFRJBOPTQQLRU-UTUOFQBUSA-N -1 3 367.408 4.195 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1[O-] ZINC000583709363 1086925757 /nfs/dbraw/zinc/92/57/57/1086925757.db2.gz ZTSSFNKNDCTAMK-UHFFFAOYSA-N -1 3 356.765 4.156 20 0 FIADHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCc3ccc(-c4ccccc4)cc32)s1 ZINC001211603325 1087052556 /nfs/dbraw/zinc/05/25/56/1087052556.db2.gz XBAJKXLWNUUBLL-GOSISDBHSA-N -1 3 370.499 4.084 20 0 FIADHM O=C(Nc1ccc(-c2nncs2)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000583982994 1087079449 /nfs/dbraw/zinc/07/94/49/1087079449.db2.gz VDPSOGDIFHYZJS-UHFFFAOYSA-N -1 3 351.431 4.042 20 0 FIADHM Cc1cc(C)c(NC(=O)NCc2ccc([O-])c(Br)c2)c(C)c1 ZINC000151539940 1087132826 /nfs/dbraw/zinc/13/28/26/1087132826.db2.gz SFRPAIYPXJMKNQ-UHFFFAOYSA-N -1 3 363.255 4.402 20 0 FIADHM O=C(CCc1cccc(Cl)c1)NCc1ccc([O-])c(Br)c1 ZINC000151550798 1087143689 /nfs/dbraw/zinc/14/36/89/1087143689.db2.gz JLSDIVKXXMFMLM-UHFFFAOYSA-N -1 3 368.658 4.057 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ncc(-c2ccccc2)o1 ZINC000151579259 1087159022 /nfs/dbraw/zinc/15/90/22/1087159022.db2.gz VTZOZEKOHVRDLX-SNVBAGLBSA-N -1 3 368.867 4.096 20 0 FIADHM O=C(CCc1ccc(Cl)s1)NCc1ccc([O-])c(Br)c1 ZINC000151642575 1087189188 /nfs/dbraw/zinc/18/91/88/1087189188.db2.gz ZRFOECBAISLALB-UHFFFAOYSA-N -1 3 374.687 4.119 20 0 FIADHM Cc1ccsc1CCCC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000159529657 1087309526 /nfs/dbraw/zinc/30/95/26/1087309526.db2.gz JZZJJGCJPBYWQR-UHFFFAOYSA-N -1 3 371.289 4.147 20 0 FIADHM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000081954699 1087334900 /nfs/dbraw/zinc/33/49/00/1087334900.db2.gz JNTTVEYCFKEDGG-UHFFFAOYSA-N -1 3 365.458 4.156 20 0 FIADHM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000092526197 1087445820 /nfs/dbraw/zinc/44/58/20/1087445820.db2.gz AEYYXWFMQUQXCE-YPMHNXCESA-N -1 3 354.431 4.032 20 0 FIADHM C[C@@H](c1cccnc1)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094067956 1087462711 /nfs/dbraw/zinc/46/27/11/1087462711.db2.gz RYETVVYFNXXLHU-KRWDZBQOSA-N -1 3 360.457 4.406 20 0 FIADHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000144538416 1087490127 /nfs/dbraw/zinc/49/01/27/1087490127.db2.gz IWSRDUVNKKQNBS-UHFFFAOYSA-N -1 3 370.381 4.299 20 0 FIADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccccc1OC(F)(F)F ZINC000198844037 1087514309 /nfs/dbraw/zinc/51/43/09/1087514309.db2.gz KLUFBTRRYDICCZ-UHFFFAOYSA-N -1 3 369.723 4.179 20 0 FIADHM Cc1ccccc1CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000139267629 1087542283 /nfs/dbraw/zinc/54/22/83/1087542283.db2.gz ODLVZRIPRRBRJV-UHFFFAOYSA-N -1 3 365.458 4.185 20 0 FIADHM CCSc1ccc([C@@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000505126668 1088186351 /nfs/dbraw/zinc/18/63/51/1088186351.db2.gz UGFSTMSJNIXRMV-CYBMUJFWSA-N -1 3 352.459 4.131 20 0 FIADHM CN(Cc1nccn1C(F)F)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177395599 1088301845 /nfs/dbraw/zinc/30/18/45/1088301845.db2.gz DIZWDWSDJSGSDX-UHFFFAOYSA-N -1 3 373.359 4.048 20 0 FIADHM Cc1ncsc1CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177407663 1088307634 /nfs/dbraw/zinc/30/76/34/1088307634.db2.gz DHAUFBPTLLDDRV-UHFFFAOYSA-N -1 3 354.431 4.222 20 0 FIADHM Cc1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1Br ZINC000505273011 1088311592 /nfs/dbraw/zinc/31/15/92/1088311592.db2.gz NLRLZLVSIHMAGY-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccc2c(c1)CCC2 ZINC000505294421 1088329550 /nfs/dbraw/zinc/32/95/50/1088329550.db2.gz UWXRBKGCUUOKMJ-UHFFFAOYSA-N -1 3 366.442 4.163 20 0 FIADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(OC)c(OC)c1 ZINC000623016886 1088345810 /nfs/dbraw/zinc/34/58/10/1088345810.db2.gz LPEUHGMOFMEPSJ-UHFFFAOYSA-N -1 3 369.339 4.095 20 0 FIADHM CC(C)(C)OCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000084366963 1088392305 /nfs/dbraw/zinc/39/23/05/1088392305.db2.gz SYGMZAWNZACITP-UHFFFAOYSA-N -1 3 350.418 4.096 20 0 FIADHM CC(C)(c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1)C(F)(F)F ZINC000434358984 1088541275 /nfs/dbraw/zinc/54/12/75/1088541275.db2.gz JLBHQAJGCLYQCT-UHFFFAOYSA-N -1 3 355.331 4.301 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3sccc3C(F)F)n2)cc1 ZINC001125846848 1088719135 /nfs/dbraw/zinc/71/91/35/1088719135.db2.gz OMODWKDZCQBUNQ-UHFFFAOYSA-N -1 3 367.402 4.465 20 0 FIADHM Cc1ccc([C@H]2C[C@@H](C)N(Cn3[n-]c(-c4ccccn4)nc3=S)C2)cc1 ZINC000782954312 1088735790 /nfs/dbraw/zinc/73/57/90/1088735790.db2.gz MUQWHTRTXUEKNX-WBVHZDCISA-N -1 3 365.506 4.147 20 0 FIADHM COc1ccc(Cl)cc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647105 1088755369 /nfs/dbraw/zinc/75/53/69/1088755369.db2.gz HRFBLPBCUPRDQZ-UHFFFAOYSA-N -1 3 363.200 4.477 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccncc1F ZINC000179933827 1088761833 /nfs/dbraw/zinc/76/18/33/1088761833.db2.gz ZLDZZZIJPRCWBC-UHFFFAOYSA-N -1 3 365.389 4.455 20 0 FIADHM [O-]C(=Cc1nc(-c2cccc(OC3CC3)c2)no1)c1ccccc1Cl ZINC001211647505 1088769618 /nfs/dbraw/zinc/76/96/18/1088769618.db2.gz SNUUVCXUSHEMJF-UHFFFAOYSA-N -1 3 354.793 4.357 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1c1ccccc1 ZINC000659797945 1088881122 /nfs/dbraw/zinc/88/11/22/1088881122.db2.gz XVDCYPIUYCOKFZ-DLBZAZTESA-N -1 3 350.245 4.294 20 0 FIADHM COCc1cc(Cl)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000425117022 1088907480 /nfs/dbraw/zinc/90/74/80/1088907480.db2.gz VJQXVPIUPNZBQL-UHFFFAOYSA-N -1 3 351.805 4.293 20 0 FIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC(C)(C)CC(F)(F)F)c2)n1 ZINC000892736780 1088980682 /nfs/dbraw/zinc/98/06/82/1088980682.db2.gz QEOXJLCAYCXSNU-UHFFFAOYSA-N -1 3 368.355 4.432 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])C1(c2ccc(Cl)cc2)CC1 ZINC000514820239 1089498917 /nfs/dbraw/zinc/49/89/17/1089498917.db2.gz AWINKDGKMHRNPC-UHFFFAOYSA-N -1 3 366.642 4.478 20 0 FIADHM CCn1cc(C(=O)Nc2ccc(Br)cc2[O-])c2ccccc21 ZINC000514820575 1089499537 /nfs/dbraw/zinc/49/95/37/1089499537.db2.gz QEGPHKNLCVTXRX-UHFFFAOYSA-N -1 3 359.223 4.382 20 0 FIADHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515078365 1089757769 /nfs/dbraw/zinc/75/77/69/1089757769.db2.gz ZZDIBQOROVYLCQ-UHFFFAOYSA-N -1 3 368.202 4.090 20 0 FIADHM O=C([O-])CCN(Cc1ccc(Oc2ccccc2)c(F)c1)C[C@@H]1CCCO1 ZINC000515174379 1089852829 /nfs/dbraw/zinc/85/28/29/1089852829.db2.gz GQGYMTRSFWMUQX-SFHVURJKSA-N -1 3 373.424 4.074 20 0 FIADHM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc([O-])c(Br)c1 ZINC000054440237 1089866947 /nfs/dbraw/zinc/86/69/47/1089866947.db2.gz LNWOIQCETHAHGA-AWEZNQCLSA-N -1 3 367.630 4.004 20 0 FIADHM O=c1[n-]c(-c2cnc(C(F)(F)F)s2)nc2sc3c(c21)CCCC3 ZINC000435694767 1089878613 /nfs/dbraw/zinc/87/86/13/1089878613.db2.gz CARMFMYOASDVKY-UHFFFAOYSA-N -1 3 357.382 4.418 20 0 FIADHM Cc1ccc(SCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000515205668 1089888340 /nfs/dbraw/zinc/88/83/40/1089888340.db2.gz OMJHCMRLDTVFKG-UHFFFAOYSA-N -1 3 352.253 4.194 20 0 FIADHM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc21 ZINC000460826656 1090000461 /nfs/dbraw/zinc/00/04/61/1090000461.db2.gz HIKFWNBUBMAORQ-UHFFFAOYSA-N -1 3 358.463 4.169 20 0 FIADHM CC(C)Sc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000783074723 1090080233 /nfs/dbraw/zinc/08/02/33/1090080233.db2.gz LGYWBNXVJCRHAZ-UHFFFAOYSA-N -1 3 370.430 4.300 20 0 FIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(Cl)c(Cl)c1 ZINC000180286708 1090186084 /nfs/dbraw/zinc/18/60/84/1090186084.db2.gz JVHHCKGDPVSGGK-UHFFFAOYSA-N -1 3 372.060 4.496 20 0 FIADHM CC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000182729501 1090370200 /nfs/dbraw/zinc/37/02/00/1090370200.db2.gz LTWLVEWDCOTOMG-HNNXBMFYSA-N -1 3 368.886 4.283 20 0 FIADHM CCCCCc1nnc([N-]C(=O)c2sc(-c3ccccn3)nc2C)s1 ZINC000019202841 1090522061 /nfs/dbraw/zinc/52/20/61/1090522061.db2.gz ISIBOYFHPPCOFG-UHFFFAOYSA-N -1 3 373.507 4.350 20 0 FIADHM C[C@@H](Oc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1)C(F)(F)F ZINC000417043419 1090635706 /nfs/dbraw/zinc/63/57/06/1090635706.db2.gz MKAPMFJFUSNYRN-SNVBAGLBSA-N -1 3 353.344 4.001 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(OCc2ccncc2)cc1 ZINC000549464142 1090667476 /nfs/dbraw/zinc/66/74/76/1090667476.db2.gz JTVJRYOHCKJANW-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM COc1ccccc1CC1CCN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000584726533 1090786849 /nfs/dbraw/zinc/78/68/49/1090786849.db2.gz ZNDIZDIBMHCHMZ-AWEZNQCLSA-N -1 3 357.450 4.311 20 0 FIADHM O=C([O-])[C@H](CCNCc1cc(Cl)sc1Cl)Cc1ccccc1 ZINC000417576061 1090930468 /nfs/dbraw/zinc/93/04/68/1090930468.db2.gz YXLUDDWWJWRBFB-GFCCVEGCSA-N -1 3 358.290 4.478 20 0 FIADHM COc1cccc(Cl)c1CN[C@H](CCSc1ccccc1)C(=O)[O-] ZINC000417615241 1090944210 /nfs/dbraw/zinc/94/42/10/1090944210.db2.gz GAGPZKAGYQDJRS-MRXNPFEDSA-N -1 3 365.882 4.074 20 0 FIADHM CC(C)Sc1cccc(Cl)c1CNC[C@@H](CC(=O)[O-])C(F)F ZINC000417615787 1090944432 /nfs/dbraw/zinc/94/44/32/1090944432.db2.gz CYLDWQLXEWRWES-SNVBAGLBSA-N -1 3 351.846 4.286 20 0 FIADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417635359 1090946970 /nfs/dbraw/zinc/94/69/70/1090946970.db2.gz WNBZTGBUWWTMDB-RTBURBONSA-N -1 3 367.445 4.045 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2csc(Cc3ccccc3)n2)[nH][n-]1 ZINC000512362823 1092161742 /nfs/dbraw/zinc/16/17/42/1092161742.db2.gz MJXPYLXWTYVKRH-UHFFFAOYSA-N -1 3 374.469 4.107 20 0 FIADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000432782323 1092355509 /nfs/dbraw/zinc/35/55/09/1092355509.db2.gz WMZBEFLWOPLRJW-UHFFFAOYSA-N -1 3 356.451 4.494 20 0 FIADHM COc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3[O-])o2)cc1 ZINC000521173036 1092549048 /nfs/dbraw/zinc/54/90/48/1092549048.db2.gz RASIFNXDBFPJPK-UHFFFAOYSA-N -1 3 372.808 4.281 20 0 FIADHM Cc1cccc(Oc2ccccc2C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000442300610 1092560878 /nfs/dbraw/zinc/56/08/78/1092560878.db2.gz SLWXENSGDREPHL-UHFFFAOYSA-N -1 3 362.311 4.177 20 0 FIADHM Cc1cccc(Oc2ccccc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000442300610 1092560885 /nfs/dbraw/zinc/56/08/85/1092560885.db2.gz SLWXENSGDREPHL-UHFFFAOYSA-N -1 3 362.311 4.177 20 0 FIADHM O=C(N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000521270852 1092613679 /nfs/dbraw/zinc/61/36/79/1092613679.db2.gz VXQXFPUNEAFRKT-ZBFHGGJFSA-N -1 3 371.868 4.169 20 0 FIADHM O=C(N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000521270851 1092613788 /nfs/dbraw/zinc/61/37/88/1092613788.db2.gz VXQXFPUNEAFRKT-HOCLYGCPSA-N -1 3 371.868 4.169 20 0 FIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c1 ZINC000614160278 1093020645 /nfs/dbraw/zinc/02/06/45/1093020645.db2.gz ZYKYNNHVKVTXNK-SSDOTTSWSA-N -1 3 362.398 4.080 20 0 FIADHM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000550471687 1093145008 /nfs/dbraw/zinc/14/50/08/1093145008.db2.gz UCIUEXKXBIUBMU-WFASDCNBSA-N -1 3 366.642 4.094 20 0 FIADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000433097388 1093249212 /nfs/dbraw/zinc/24/92/12/1093249212.db2.gz MORRXKPXRLAZMV-UHFFFAOYSA-N -1 3 367.453 4.441 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)c(F)cc1F ZINC001211763369 1093257135 /nfs/dbraw/zinc/25/71/35/1093257135.db2.gz BVALIWHHMBOHPV-JKSUJKDBSA-N -1 3 365.445 4.278 20 0 FIADHM O=S(=O)([N-][C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC001211763615 1093257195 /nfs/dbraw/zinc/25/71/95/1093257195.db2.gz GQSVYZIRFJHGKR-ZIAGYGMSSA-N -1 3 355.912 4.406 20 0 FIADHM O=S(=O)([N-][C@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC001211763612 1093257369 /nfs/dbraw/zinc/25/73/69/1093257369.db2.gz GQSVYZIRFJHGKR-KBPBESRZSA-N -1 3 355.912 4.406 20 0 FIADHM O=S(=O)([N-][C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC001211763613 1093257664 /nfs/dbraw/zinc/25/76/64/1093257664.db2.gz GQSVYZIRFJHGKR-KGLIPLIRSA-N -1 3 355.912 4.406 20 0 FIADHM O=S(=O)([N-]C[C@@H]1CCC(F)(F)C1)c1c(Cl)ccc2ccccc21 ZINC000429909652 1093488614 /nfs/dbraw/zinc/48/86/14/1093488614.db2.gz KZUOYCZZQJHAEK-LLVKDONJSA-N -1 3 359.825 4.207 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1C ZINC000512939535 1093578092 /nfs/dbraw/zinc/57/80/92/1093578092.db2.gz FIOSQNQIOCYLEO-UHFFFAOYSA-N -1 3 358.507 4.076 20 0 FIADHM CCCCOc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c(Cl)c1 ZINC000474238681 1093607661 /nfs/dbraw/zinc/60/76/61/1093607661.db2.gz MQCNDAHPOZBHQT-UHFFFAOYSA-N -1 3 351.805 4.294 20 0 FIADHM CCCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H](CC)c1ccccc1 ZINC000114645520 1093659759 /nfs/dbraw/zinc/65/97/59/1093659759.db2.gz CNSIZEFCNKESFE-FQEVSTJZSA-N -1 3 369.509 4.099 20 0 FIADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000509897789 1093694338 /nfs/dbraw/zinc/69/43/38/1093694338.db2.gz HLWHYUIMJOJIDV-UHFFFAOYSA-N -1 3 360.414 4.325 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2F)cs1)c1cc(-c2ccccn2)no1 ZINC000474357721 1093707379 /nfs/dbraw/zinc/70/73/79/1093707379.db2.gz QZBLUDQRPPYGBE-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM CSCc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000151077563 1093896472 /nfs/dbraw/zinc/89/64/72/1093896472.db2.gz UWNXLOUXQNFDJN-UHFFFAOYSA-N -1 3 356.422 4.091 20 0 FIADHM CCc1nnc([N-]C(=O)c2ccc(COc3ccc(C)cc3C)o2)s1 ZINC000052936966 1093977966 /nfs/dbraw/zinc/97/79/66/1093977966.db2.gz TUCDUSXDRANMIB-UHFFFAOYSA-N -1 3 357.435 4.142 20 0 FIADHM COc1ccc(Br)c(CN(C)Cc2c(F)ccc([O-])c2F)c1 ZINC000513235288 1094030465 /nfs/dbraw/zinc/03/04/65/1094030465.db2.gz AJLOSKOAUBMEEL-UHFFFAOYSA-N -1 3 372.209 4.074 20 0 FIADHM Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1C(=O)N1CCCCC1 ZINC000513295517 1094049721 /nfs/dbraw/zinc/04/97/21/1094049721.db2.gz HZIIQNFVLHMCKX-UHFFFAOYSA-N -1 3 360.404 4.217 20 0 FIADHM O=C([N-]c1nc2ccccc2s1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000433706975 1094063072 /nfs/dbraw/zinc/06/30/72/1094063072.db2.gz LAESRHZFKVNXFE-UHFFFAOYSA-N -1 3 363.398 4.139 20 0 FIADHM CC1CCN(C(=O)c2ccc(NCc3c(F)ccc([O-])c3F)cc2)CC1 ZINC000513434631 1094121708 /nfs/dbraw/zinc/12/17/08/1094121708.db2.gz KVZGTPRWLRPMRV-UHFFFAOYSA-N -1 3 360.404 4.155 20 0 FIADHM CCCC[C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000262714216 1094145290 /nfs/dbraw/zinc/14/52/90/1094145290.db2.gz RALYBNAUTSQGJS-OAHLLOKOSA-N -1 3 368.886 4.109 20 0 FIADHM CCC[C@@H](C)NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210265 1094315810 /nfs/dbraw/zinc/31/58/10/1094315810.db2.gz XXIBEDJCBSFKNZ-MNOVXSKESA-N -1 3 368.503 4.206 20 0 FIADHM COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3s2)cc(OC)c1[O-] ZINC000179235304 1094765721 /nfs/dbraw/zinc/76/57/21/1094765721.db2.gz FSQRWVWYJDAWDG-NSHDSACASA-N -1 3 357.431 4.115 20 0 FIADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1ccoc1Cl ZINC000192323186 1095068302 /nfs/dbraw/zinc/06/83/02/1095068302.db2.gz LOHIMVNALTUIDC-UHFFFAOYSA-N -1 3 354.218 4.281 20 0 FIADHM Cc1cccc(-c2ccc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)c1 ZINC000522921920 1095887342 /nfs/dbraw/zinc/88/73/42/1095887342.db2.gz VLJOKQAFMLUSQY-UHFFFAOYSA-N -1 3 368.436 4.434 20 0 FIADHM CC(C)(C)c1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000502858470 1095908745 /nfs/dbraw/zinc/90/87/45/1095908745.db2.gz VMQFGGXGGUGICG-UHFFFAOYSA-N -1 3 356.407 4.054 20 0 FIADHM O=c1nc(CN2CCCC[C@@H]2C(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000502863776 1095918313 /nfs/dbraw/zinc/91/83/13/1095918313.db2.gz RBUXGYXCLCFVCM-LLVKDONJSA-N -1 3 365.405 4.277 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c([O-])c1 ZINC000421957061 1096013216 /nfs/dbraw/zinc/01/32/16/1096013216.db2.gz IBZVLUBEJADPMA-ZDUSSCGKSA-N -1 3 359.388 4.376 20 0 FIADHM COc1ccccc1-c1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)cs1 ZINC000058696060 1096026232 /nfs/dbraw/zinc/02/62/32/1096026232.db2.gz CKCMKBQMKFDAEF-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H]3Cc3ccccc3)cc2)cc(=O)[n-]1 ZINC000503260455 1096334918 /nfs/dbraw/zinc/33/49/18/1096334918.db2.gz HFPUOILMQPWWCU-IBGZPJMESA-N -1 3 374.444 4.007 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC(C)(C)C3)cc2)cc1 ZINC000504530611 1096799887 /nfs/dbraw/zinc/79/98/87/1096799887.db2.gz XQTSZNLKOKYQHJ-UHFFFAOYSA-N -1 3 372.490 4.171 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC=C(c2ccccn2)C1 ZINC000515684378 1098829631 /nfs/dbraw/zinc/82/96/31/1098829631.db2.gz MLELQCMHHKKDIO-UHFFFAOYSA-N -1 3 370.452 4.308 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c1Cl ZINC000515711174 1098856198 /nfs/dbraw/zinc/85/61/98/1098856198.db2.gz JPPJQBRVSZYGGY-UHFFFAOYSA-N -1 3 366.216 4.059 20 0 FIADHM O=c1[n-]c(CNC2(c3nccs3)CCCC2)nc2c3ccccc3oc21 ZINC000533386676 1099016111 /nfs/dbraw/zinc/01/61/11/1099016111.db2.gz UOFQPXOVVZKYHI-UHFFFAOYSA-N -1 3 366.446 4.097 20 0 FIADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000436474389 1099051056 /nfs/dbraw/zinc/05/10/56/1099051056.db2.gz CSDYVDRZIGQYMM-UHFFFAOYSA-N -1 3 352.415 4.318 20 0 FIADHM Cc1nc(C)c(CCC(=O)N([C@H](C)c2ccccc2)C2CCCC2)c(=O)[n-]1 ZINC000425578082 1099069985 /nfs/dbraw/zinc/06/99/85/1099069985.db2.gz GHTGGXSKNWYYNL-MRXNPFEDSA-N -1 3 367.493 4.264 20 0 FIADHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000436524252 1099081339 /nfs/dbraw/zinc/08/13/39/1099081339.db2.gz ZYYHEVLAWKWPHO-LJQANCHMSA-N -1 3 364.445 4.095 20 0 FIADHM CC(C)c1ccc(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC000436553518 1099100013 /nfs/dbraw/zinc/10/00/13/1099100013.db2.gz HJBTWNQKEWTOLV-WIYYLYMNSA-N -1 3 353.462 4.413 20 0 FIADHM Cc1ccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c([O-])c1C ZINC000436556979 1099100777 /nfs/dbraw/zinc/10/07/77/1099100777.db2.gz UNCVDHSQRSEWNV-UHFFFAOYSA-N -1 3 374.868 4.395 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c([O-])c1 ZINC000436540467 1099105340 /nfs/dbraw/zinc/10/53/40/1099105340.db2.gz OXDGTNWRYHTTLF-IBGZPJMESA-N -1 3 363.461 4.380 20 0 FIADHM COc1cccc(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1[O-] ZINC000436539388 1099106086 /nfs/dbraw/zinc/10/60/86/1099106086.db2.gz YCCKPZZEWNHMOF-UHFFFAOYSA-N -1 3 365.433 4.271 20 0 FIADHM Cc1csc([C@@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436566030 1099117149 /nfs/dbraw/zinc/11/71/49/1099117149.db2.gz SYFKFRFZIJZXTA-CQSZACIVSA-N -1 3 352.459 4.239 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2ccc(F)cn2)no1 ZINC000436565603 1099117182 /nfs/dbraw/zinc/11/71/82/1099117182.db2.gz STWQZKAITYILPU-UHFFFAOYSA-N -1 3 363.348 4.222 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c([O-])c1 ZINC000436590874 1099136664 /nfs/dbraw/zinc/13/66/64/1099136664.db2.gz OHAXKBQZYOIGOE-XOBRGWDASA-N -1 3 357.425 4.257 20 0 FIADHM C[S@](=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436590381 1099137469 /nfs/dbraw/zinc/13/74/69/1099137469.db2.gz MQDZZCTUIMBIGX-SANMLTNESA-N -1 3 367.426 4.174 20 0 FIADHM CCc1ocnc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436599341 1099137551 /nfs/dbraw/zinc/13/75/51/1099137551.db2.gz CJOFTSPPNQXODS-UHFFFAOYSA-N -1 3 365.414 4.472 20 0 FIADHM C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436630131 1099160600 /nfs/dbraw/zinc/16/06/00/1099160600.db2.gz LYXXFEYEALNRDK-ZBEGNZNMSA-N -1 3 365.351 4.340 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C3CCCC3)cc2)cc(=O)[n-]1 ZINC000533581831 1099193703 /nfs/dbraw/zinc/19/37/03/1099193703.db2.gz GMSWHBVQWNSGJR-UHFFFAOYSA-N -1 3 368.481 4.496 20 0 FIADHM COc1cc(-c2nc(-c3ccc(OC(C)(C)C)cc3)no2)cc(OC)c1[O-] ZINC000436685252 1099219787 /nfs/dbraw/zinc/21/97/87/1099219787.db2.gz BBBSTOCFABPUEH-UHFFFAOYSA-N -1 3 370.405 4.304 20 0 FIADHM COc1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc(OC)c1[O-] ZINC000436689809 1099223043 /nfs/dbraw/zinc/22/30/43/1099223043.db2.gz OQVKBKPSOWVKIJ-UHFFFAOYSA-N -1 3 367.188 4.433 20 0 FIADHM COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436708601 1099226894 /nfs/dbraw/zinc/22/68/94/1099226894.db2.gz SGAWVJKUMSRNCS-SXLOBPIMSA-N -1 3 351.446 4.199 20 0 FIADHM CC(=O)N(c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1)C1CC1 ZINC000436737496 1099258288 /nfs/dbraw/zinc/25/82/88/1099258288.db2.gz LESJKXWOSBWNJD-UHFFFAOYSA-N -1 3 364.445 4.039 20 0 FIADHM O=C(Nc1nc(-c2nccc3ccccc32)cs1)c1c([O-])cccc1O ZINC000436738967 1099258768 /nfs/dbraw/zinc/25/87/68/1099258768.db2.gz NAEICXJBWKPGJP-UHFFFAOYSA-N -1 3 363.398 4.022 20 0 FIADHM CC[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000436787916 1099318957 /nfs/dbraw/zinc/31/89/57/1099318957.db2.gz RMNSOVWUNHIFLL-QFBILLFUSA-N -1 3 366.461 4.007 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)c1 ZINC000436786502 1099319648 /nfs/dbraw/zinc/31/96/48/1099319648.db2.gz JIXVFSWYDIWZQR-BTYIYWSLSA-N -1 3 366.461 4.272 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]1C1CCOCC1 ZINC000436816545 1099328956 /nfs/dbraw/zinc/32/89/56/1099328956.db2.gz OWUPRKBQCGTCCV-OAQYLSRUSA-N -1 3 365.473 4.014 20 0 FIADHM COc1cccc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1[O-] ZINC000436831505 1099342185 /nfs/dbraw/zinc/34/21/85/1099342185.db2.gz GQXHCWGUWOFVGR-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM COc1ccc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c([O-])c1 ZINC000436839223 1099343900 /nfs/dbraw/zinc/34/39/00/1099343900.db2.gz NLDVYSLUACJMTP-LJQANCHMSA-N -1 3 361.388 4.103 20 0 FIADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)c([O-])c1 ZINC000436821613 1099351407 /nfs/dbraw/zinc/35/14/07/1099351407.db2.gz PRLHKMPXDZOORI-LJQANCHMSA-N -1 3 363.461 4.302 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2C)c([O-])c1 ZINC000436825475 1099352153 /nfs/dbraw/zinc/35/21/53/1099352153.db2.gz KYFFJXAQTRNHOS-UHFFFAOYSA-N -1 3 356.491 4.069 20 0 FIADHM CCc1ccc(-c2nc(-c3cccc(NC(=O)C(C)C)c3)no2)c([O-])c1 ZINC000436845662 1099365843 /nfs/dbraw/zinc/36/58/43/1099365843.db2.gz DZSGIEHDGVCYAW-UHFFFAOYSA-N -1 3 351.406 4.266 20 0 FIADHM CCc1ccc(-c2nc(CCCOCc3ccc(OC)cc3)no2)c([O-])c1 ZINC000436862383 1099374076 /nfs/dbraw/zinc/37/40/76/1099374076.db2.gz NPCWGSRQVSBBAU-UHFFFAOYSA-N -1 3 368.433 4.163 20 0 FIADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(OC)c([O-])c(OC)c2)o1 ZINC000436867631 1099378284 /nfs/dbraw/zinc/37/82/84/1099378284.db2.gz DPTQRFNXYKAKOH-CJNGLKHVSA-N -1 3 373.449 4.178 20 0 FIADHM O=S(=O)(c1ccccc1Nc1ccc([O-])c(F)c1F)C1CCCC1 ZINC001212016617 1099382438 /nfs/dbraw/zinc/38/24/38/1099382438.db2.gz YUEFAYSEGQXHJB-UHFFFAOYSA-N -1 3 353.390 4.130 20 0 FIADHM [O-]c1ccc(Nc2cc(I)ccc2F)c(F)c1F ZINC001212016604 1099382546 /nfs/dbraw/zinc/38/25/46/1099382546.db2.gz XWEVMZRGJFDOOH-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM Cc1cccc(Nc2ccc([O-])c(F)c2F)c1I ZINC001212016408 1099383749 /nfs/dbraw/zinc/38/37/49/1099383749.db2.gz OOPBWLBKMHRHLY-UHFFFAOYSA-N -1 3 361.129 4.327 20 0 FIADHM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001212018000 1099384136 /nfs/dbraw/zinc/38/41/36/1099384136.db2.gz JGEJMFMWGLDQBE-RYUDHWBXSA-N -1 3 350.311 4.488 20 0 FIADHM CO[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000436880124 1099395078 /nfs/dbraw/zinc/39/50/78/1099395078.db2.gz IWKAFUTVWNMMPT-QGZVFWFLSA-N -1 3 354.431 4.032 20 0 FIADHM COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000436904298 1099413209 /nfs/dbraw/zinc/41/32/09/1099413209.db2.gz YMDQUCKPMXKUMM-OAHLLOKOSA-N -1 3 373.880 4.458 20 0 FIADHM CCOc1ncccc1-c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436916327 1099431470 /nfs/dbraw/zinc/43/14/70/1099431470.db2.gz SOANJZMBSVLJSM-UHFFFAOYSA-N -1 3 373.412 4.494 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3cc(Cl)ccc3Cl)no2)c1 ZINC000436931562 1099435370 /nfs/dbraw/zinc/43/53/70/1099435370.db2.gz LALRSXGFQRHACR-UHFFFAOYSA-N -1 3 351.189 4.348 20 0 FIADHM C[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC1(F)F ZINC000436927913 1099440952 /nfs/dbraw/zinc/44/09/52/1099440952.db2.gz AMFDBNVHAAWOID-HNNXBMFYSA-N -1 3 359.416 4.295 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)c([O-])c1 ZINC000436932644 1099446441 /nfs/dbraw/zinc/44/64/41/1099446441.db2.gz PVEHXAZWRASRKG-QFIPXVFZSA-N -1 3 351.446 4.126 20 0 FIADHM CC(=O)Nc1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)ccc1Cl ZINC000436948495 1099459849 /nfs/dbraw/zinc/45/98/49/1099459849.db2.gz HKTDXTGHBNWNSQ-UHFFFAOYSA-N -1 3 358.825 4.135 20 0 FIADHM CC(C)OCCCc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436948752 1099460337 /nfs/dbraw/zinc/46/03/37/1099460337.db2.gz VERRXNGXFWWEGD-UHFFFAOYSA-N -1 3 368.433 4.379 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2ccccc2)CC1 ZINC000436954520 1099471469 /nfs/dbraw/zinc/47/14/69/1099471469.db2.gz WQFSMBAKHBDEDI-UHFFFAOYSA-N -1 3 374.440 4.147 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccnc(OCC(F)F)c3)no2)c([O-])c1 ZINC000436959685 1099476318 /nfs/dbraw/zinc/47/63/18/1099476318.db2.gz DYRRCXWMBWIWKV-UHFFFAOYSA-N -1 3 361.348 4.272 20 0 FIADHM CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c(Cl)c1 ZINC000436959782 1099476326 /nfs/dbraw/zinc/47/63/26/1099476326.db2.gz HXQLUXKEBXPSHB-UHFFFAOYSA-N -1 3 358.825 4.135 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(n3c(C)ccc3C)CC2)c([O-])c1 ZINC000436974313 1099481531 /nfs/dbraw/zinc/48/15/31/1099481531.db2.gz XVMJALMHGVNEDV-UHFFFAOYSA-N -1 3 370.493 4.467 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC[C@@H]3CC3CCC3)nc2)n1 ZINC000664602935 1099557283 /nfs/dbraw/zinc/55/72/83/1099557283.db2.gz BFGASEBWPYSNJM-GOSISDBHSA-N -1 3 352.482 4.356 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)CCCc2ccccc2)c1 ZINC000505974770 1099628184 /nfs/dbraw/zinc/62/81/84/1099628184.db2.gz BPVJLMHRCWFUQD-UHFFFAOYSA-N -1 3 368.477 4.130 20 0 FIADHM CCOCCC1(C(=O)Nc2ccc(Br)cc2[O-])CCCC1 ZINC000516613018 1099656029 /nfs/dbraw/zinc/65/60/29/1099656029.db2.gz GBGVRKKKKOINIS-UHFFFAOYSA-N -1 3 356.260 4.080 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(F)(c3ccccn3)CC2)c([O-])c1 ZINC000516655894 1099693741 /nfs/dbraw/zinc/69/37/41/1099693741.db2.gz PQKLKJKZKMZVIW-UHFFFAOYSA-N -1 3 372.440 4.067 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000289353866 1099789962 /nfs/dbraw/zinc/78/99/62/1099789962.db2.gz LVJOJIZFKKSYCA-LDQXTDLNSA-N -1 3 358.441 4.349 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccc(CCC(F)(F)F)cc3)n[n-]2)o1 ZINC000162492060 1099809014 /nfs/dbraw/zinc/80/90/14/1099809014.db2.gz DVIJCXKBARLEFY-UHFFFAOYSA-N -1 3 364.327 4.120 20 0 FIADHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000437487316 1099950207 /nfs/dbraw/zinc/95/02/07/1099950207.db2.gz ZBJVOQNRHULQJW-KUHUBIRLSA-N -1 3 364.445 4.297 20 0 FIADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000506070148 1100012591 /nfs/dbraw/zinc/01/25/91/1100012591.db2.gz HJFHFUOAYOPUSA-HNNXBMFYSA-N -1 3 370.861 4.148 20 0 FIADHM Cc1cccc2c1CN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CC2 ZINC000428700757 1100067675 /nfs/dbraw/zinc/06/76/75/1100067675.db2.gz OXTPRYKBYVOZIR-UHFFFAOYSA-N -1 3 374.444 4.056 20 0 FIADHM CC[C@](C)(NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(C)cs1 ZINC000459398308 1100105885 /nfs/dbraw/zinc/10/58/85/1100105885.db2.gz YOUUUEVYCZQPCE-IBGZPJMESA-N -1 3 354.479 4.029 20 0 FIADHM CCCOc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459395746 1100119711 /nfs/dbraw/zinc/11/97/11/1100119711.db2.gz UXZZTKIFZNXADJ-UHFFFAOYSA-N -1 3 350.256 4.233 20 0 FIADHM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000437731531 1100149792 /nfs/dbraw/zinc/14/97/92/1100149792.db2.gz UTNAIFSVKICAQT-JTQLQIEISA-N -1 3 356.340 4.112 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CCC(=O)CC1 ZINC000536722258 1100246532 /nfs/dbraw/zinc/24/65/32/1100246532.db2.gz LXMLLDMJOSXBPY-UHFFFAOYSA-N -1 3 366.442 4.367 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(NCC(F)(F)F)c1 ZINC000425284251 1100285572 /nfs/dbraw/zinc/28/55/72/1100285572.db2.gz QIUCCDASEXNIJW-UHFFFAOYSA-N -1 3 370.346 4.467 20 0 FIADHM COCCCCc1cccnc1NCc1cccc([O-])c1Br ZINC000459556725 1100303739 /nfs/dbraw/zinc/30/37/39/1100303739.db2.gz KGAZWQPFZKKTSC-UHFFFAOYSA-N -1 3 365.271 4.131 20 0 FIADHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000517702232 1100614588 /nfs/dbraw/zinc/61/45/88/1100614588.db2.gz AUIGVAOCSOBDSA-ISVAXAHUSA-N -1 3 362.303 4.267 20 0 FIADHM CCC(CC)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000517811370 1100691513 /nfs/dbraw/zinc/69/15/13/1100691513.db2.gz DNRMSRFEBCWVNT-UHFFFAOYSA-N -1 3 369.856 4.217 20 0 FIADHM CCC(CC)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000517811370 1100691517 /nfs/dbraw/zinc/69/15/17/1100691517.db2.gz DNRMSRFEBCWVNT-UHFFFAOYSA-N -1 3 369.856 4.217 20 0 FIADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000517871192 1100733423 /nfs/dbraw/zinc/73/34/23/1100733423.db2.gz YXAOQOTXXUSQNH-INIZCTEOSA-N -1 3 368.886 4.155 20 0 FIADHM C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000469404741 1100805181 /nfs/dbraw/zinc/80/51/81/1100805181.db2.gz YCRXYISRTCOZFS-LBPRGKRZSA-N -1 3 351.368 4.052 20 0 FIADHM CC(C)c1nc(C2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)no1 ZINC000294098276 1100899653 /nfs/dbraw/zinc/89/96/53/1100899653.db2.gz RZTZAWPFHQAEIG-UHFFFAOYSA-N -1 3 357.454 4.042 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1C ZINC000438809495 1100932597 /nfs/dbraw/zinc/93/25/97/1100932597.db2.gz IATBWICWSYXUCV-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(CN(C)C)c1 ZINC000438976719 1101070410 /nfs/dbraw/zinc/07/04/10/1101070410.db2.gz IIFDPUHEDFCGJG-UHFFFAOYSA-N -1 3 373.305 4.164 20 0 FIADHM CC(C)C[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648432667 1101328170 /nfs/dbraw/zinc/32/81/70/1101328170.db2.gz DOHFAOCHEJFCOX-CYBMUJFWSA-N -1 3 373.806 4.289 20 0 FIADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506555006 1101373387 /nfs/dbraw/zinc/37/33/87/1101373387.db2.gz LEKJDNAMRLEPAK-UHFFFAOYSA-N -1 3 368.436 4.467 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc4c(c3)CCC4)nc(=O)c2c1C ZINC000007888031 1101412721 /nfs/dbraw/zinc/41/27/21/1101412721.db2.gz BBINEWPBGMZIMA-LLVKDONJSA-N -1 3 368.458 4.008 20 0 FIADHM O=c1[n-]c(SCc2cccc(F)c2F)nc2c1cnn2-c1ccccc1 ZINC000054829687 1101482669 /nfs/dbraw/zinc/48/26/69/1101482669.db2.gz ITPXRXIMHRKVQT-UHFFFAOYSA-N -1 3 370.384 4.092 20 0 FIADHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)cc1F ZINC000475740460 1101545478 /nfs/dbraw/zinc/54/54/78/1101545478.db2.gz QSAUTPUKTDESHB-SNVBAGLBSA-N -1 3 374.478 4.067 20 0 FIADHM CCOCCN(CCC1C[C@H](C)C[C@@H](C)C1)Cc1ccc(C(=O)[O-])o1 ZINC000518782989 1101583776 /nfs/dbraw/zinc/58/37/76/1101583776.db2.gz UXHJKNRTDAYQIS-HZPDHXFCSA-N -1 3 351.487 4.279 20 0 FIADHM C[C@@H](CCCCC(=O)[O-])NCc1oc2ccccc2c1Br ZINC000653502458 1101842496 /nfs/dbraw/zinc/84/24/96/1101842496.db2.gz DQRURPYKKAZYIB-NSHDSACASA-N -1 3 354.244 4.318 20 0 FIADHM CC(C)(C)c1nc(CC(=O)Nc2ccc(Br)cc2[O-])cs1 ZINC000102635675 1101895132 /nfs/dbraw/zinc/89/51/32/1101895132.db2.gz SIEQFXXOJFSSGW-UHFFFAOYSA-N -1 3 369.284 4.090 20 0 FIADHM C[C@H]1COCC[C@H]1c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000519070830 1101907171 /nfs/dbraw/zinc/90/71/71/1101907171.db2.gz YPPNQSCTHPNYPL-WMLDXEAASA-N -1 3 350.418 4.173 20 0 FIADHM Cc1cc(C)n2nc(C(=O)[N-]c3ccccc3SC3CCCC3)nc2n1 ZINC000025266376 1101963996 /nfs/dbraw/zinc/96/39/96/1101963996.db2.gz DEZBCYFEZOAMHM-UHFFFAOYSA-N -1 3 367.478 4.028 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000666877273 1101997205 /nfs/dbraw/zinc/99/72/05/1101997205.db2.gz AGYJGGCXNLGQEV-UHFFFAOYSA-N -1 3 369.486 4.158 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3c(F)cccc3Cl)n2)cc1 ZINC000103035245 1102087949 /nfs/dbraw/zinc/08/79/49/1102087949.db2.gz DGKLIHYZTSVCAK-UHFFFAOYSA-N -1 3 363.801 4.259 20 0 FIADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000103069484 1102089069 /nfs/dbraw/zinc/08/90/69/1102089069.db2.gz RSERLGSQCUSKFA-NSHDSACASA-N -1 3 364.239 4.296 20 0 FIADHM Cc1c(F)ccc(Cl)c1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000476307248 1102098166 /nfs/dbraw/zinc/09/81/66/1102098166.db2.gz OALHXBOBFDINAG-UHFFFAOYSA-N -1 3 365.742 4.130 20 0 FIADHM C[C@@H](CCCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000426638125 1102224899 /nfs/dbraw/zinc/22/48/99/1102224899.db2.gz IEGLBRZTGDWSSX-NSHDSACASA-N -1 3 372.412 4.419 20 0 FIADHM O=C([O-])[C@@H](CCNCc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000426642805 1102228977 /nfs/dbraw/zinc/22/89/77/1102228977.db2.gz LILMNPPMKQTXSP-AWEZNQCLSA-N -1 3 352.261 4.417 20 0 FIADHM Cc1ccccc1C[C@@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000426642202 1102230349 /nfs/dbraw/zinc/23/03/49/1102230349.db2.gz GEYKFRHFTXZSLQ-AWEZNQCLSA-N -1 3 352.261 4.335 20 0 FIADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)ccc1C ZINC000614819377 1102302096 /nfs/dbraw/zinc/30/20/96/1102302096.db2.gz CIBZXBJPWZBSGJ-UHFFFAOYSA-N -1 3 374.506 4.343 20 0 FIADHM CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1ncccc1[O-] ZINC000473634879 1102339042 /nfs/dbraw/zinc/33/90/42/1102339042.db2.gz AGXXGAKSOLWSKE-UHFFFAOYSA-N -1 3 369.490 4.062 20 0 FIADHM O=C(NCc1ncccc1[O-])c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000473642580 1102362884 /nfs/dbraw/zinc/36/28/84/1102362884.db2.gz ZFSQGAWQBLLZON-UHFFFAOYSA-N -1 3 354.793 4.163 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000104759342 1102374582 /nfs/dbraw/zinc/37/45/82/1102374582.db2.gz UNNJFWQIBSKZDK-NSHDSACASA-N -1 3 365.307 4.188 20 0 FIADHM COCc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(Cl)cc1Cl ZINC000053856558 1102385599 /nfs/dbraw/zinc/38/55/99/1102385599.db2.gz WLJCVOADKPDEEB-UHFFFAOYSA-N -1 3 355.246 4.413 20 0 FIADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000111211216 1102479344 /nfs/dbraw/zinc/47/93/44/1102479344.db2.gz JYVMBFPUWYZQIT-UHFFFAOYSA-N -1 3 373.815 4.168 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N([C@@H](C)c2ccccc2Cl)C2CC2)c1 ZINC000121933589 1102488946 /nfs/dbraw/zinc/48/89/46/1102488946.db2.gz FDCMTUNAZFSTRF-LBPRGKRZSA-N -1 3 372.852 4.370 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)c1 ZINC000121903336 1102496129 /nfs/dbraw/zinc/49/61/29/1102496129.db2.gz ZKCCEIXYTDTBFV-LBPRGKRZSA-N -1 3 372.852 4.370 20 0 FIADHM Cc1cccc(C[C@@H](CNCc2csc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000426659419 1102503863 /nfs/dbraw/zinc/50/38/63/1102503863.db2.gz FOJGICCDAOFUNM-SFHVURJKSA-N -1 3 366.486 4.152 20 0 FIADHM CCN(CCc1nccs1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000122254045 1102551877 /nfs/dbraw/zinc/55/18/77/1102551877.db2.gz FLZJRGKVOGEVIL-UHFFFAOYSA-N -1 3 366.486 4.144 20 0 FIADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000550854606 1102556200 /nfs/dbraw/zinc/55/62/00/1102556200.db2.gz XCASHPZMSOWNIR-UHFFFAOYSA-N -1 3 356.451 4.109 20 0 FIADHM O=c1cc(CN2CCc3sccc3[C@H]2c2cccs2)nc(C2CC2)[n-]1 ZINC000459284947 1102726423 /nfs/dbraw/zinc/72/64/23/1102726423.db2.gz UWBGMVCAOHURLV-SFHVURJKSA-N -1 3 369.515 4.330 20 0 FIADHM CC(C)CCOC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459316230 1102795474 /nfs/dbraw/zinc/79/54/74/1102795474.db2.gz AXZDBQOHNARBNA-UHFFFAOYSA-N -1 3 356.304 4.182 20 0 FIADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@H](c2ccsc2)O1 ZINC000459341218 1102855698 /nfs/dbraw/zinc/85/56/98/1102855698.db2.gz NSHVQHAPKVHVKZ-IAQYHMDHSA-N -1 3 368.296 4.178 20 0 FIADHM CCOc1cc(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)cc(Cl)c1[O-] ZINC000459351001 1102886141 /nfs/dbraw/zinc/88/61/41/1102886141.db2.gz ZGLDPAZMKNGSDC-PXAZEXFGSA-N -1 3 367.898 4.468 20 0 FIADHM Cc1c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c2ccccc2n1C ZINC000551106575 1102914842 /nfs/dbraw/zinc/91/48/42/1102914842.db2.gz AQDMSIVMSCVEBY-UHFFFAOYSA-N -1 3 352.818 4.080 20 0 FIADHM Cc1nc(C)c([C@@H](C)N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)s1 ZINC000459361269 1102916563 /nfs/dbraw/zinc/91/65/63/1102916563.db2.gz ZNTVEIFIONQEBU-CYBMUJFWSA-N -1 3 354.479 4.116 20 0 FIADHM O=C(C/C=C\c1ccc(F)cc1)Nc1cc(Br)ccc1[O-] ZINC000551104008 1102926741 /nfs/dbraw/zinc/92/67/41/1102926741.db2.gz VPGXXMYUUQWVPH-UPHRSURJSA-N -1 3 350.187 4.336 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc3cc(F)ccc3o2)cc1 ZINC000426728447 1102948206 /nfs/dbraw/zinc/94/82/06/1102948206.db2.gz UXHQAUCXPLXUKP-GOSISDBHSA-N -1 3 357.381 4.276 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(Br)c1)c1ccsc1 ZINC000426781983 1102983826 /nfs/dbraw/zinc/98/38/26/1102983826.db2.gz CTZYPLXGQXCCQH-LBPRGKRZSA-N -1 3 360.660 4.080 20 0 FIADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000476925989 1102956178 /nfs/dbraw/zinc/95/61/78/1102956178.db2.gz QQIAODNAQGNSFT-AWEZNQCLSA-N -1 3 372.273 4.022 20 0 FIADHM CCCSC[C@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000426763413 1102964105 /nfs/dbraw/zinc/96/41/05/1102964105.db2.gz RXXAABJMAHDFQV-LBPRGKRZSA-N -1 3 355.809 4.045 20 0 FIADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)ccc1Oc1cccnc1 ZINC000426764992 1102964300 /nfs/dbraw/zinc/96/43/00/1102964300.db2.gz ZQJYADIDWSMDSS-FQEVSTJZSA-N -1 3 366.392 4.237 20 0 FIADHM Cc1cc(C)c(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1C ZINC000426753618 1102969045 /nfs/dbraw/zinc/96/90/45/1102969045.db2.gz JPIYLBOLPWVLOM-NRFANRHFSA-N -1 3 363.461 4.103 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000426752278 1102969336 /nfs/dbraw/zinc/96/93/36/1102969336.db2.gz BYJLGMGYWOUZMX-ZBEGNZNMSA-N -1 3 355.331 4.396 20 0 FIADHM Cc1cc(C)cc([C@@H](NCc2cc(F)cc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426758571 1102973283 /nfs/dbraw/zinc/97/32/83/1102973283.db2.gz SUQQGVWXTBIKNI-MRXNPFEDSA-N -1 3 355.331 4.377 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Cl)cc(Cl)c2)c1 ZINC000426775502 1102980891 /nfs/dbraw/zinc/98/08/91/1102980891.db2.gz STZBSVWQOFKNTE-MRXNPFEDSA-N -1 3 354.233 4.308 20 0 FIADHM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1ccc(Br)cc1 ZINC000426806275 1102988459 /nfs/dbraw/zinc/98/84/59/1102988459.db2.gz JEJBGFVKFAYXTO-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc3ccccc3c2)cc1OC ZINC000426792405 1102995135 /nfs/dbraw/zinc/99/51/35/1102995135.db2.gz MFNQVSQKQSYACM-LJQANCHMSA-N -1 3 365.429 4.163 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c1 ZINC000261464527 1102997694 /nfs/dbraw/zinc/99/76/94/1102997694.db2.gz TTYHLJGQAVYPPM-VIFPVBQESA-N -1 3 367.232 4.148 20 0 FIADHM CSc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426799728 1102997879 /nfs/dbraw/zinc/99/78/79/1102997879.db2.gz LURURMAXAFNGQE-HNNXBMFYSA-N -1 3 366.280 4.087 20 0 FIADHM CCc1ccc([C@H](NCc2cccc(OC(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426825340 1103024314 /nfs/dbraw/zinc/02/43/14/1103024314.db2.gz QAUXTUDZHDQVMZ-INIZCTEOSA-N -1 3 353.340 4.063 20 0 FIADHM Cc1ccccc1C(C)(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000427111917 1103266267 /nfs/dbraw/zinc/26/62/67/1103266267.db2.gz XHNMYVXHHXRUQW-UHFFFAOYSA-N -1 3 362.267 4.057 20 0 FIADHM Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000757690126 1103283909 /nfs/dbraw/zinc/28/39/09/1103283909.db2.gz ZQVGBGRPMHWMIZ-UHFFFAOYSA-N -1 3 361.612 4.079 20 0 FIADHM CC[C@@H](CNC(=O)c1cc([O-])ccc1Cl)Oc1cccc(Cl)c1 ZINC000551513947 1103302211 /nfs/dbraw/zinc/30/22/11/1103302211.db2.gz BBGQSVOEQLKSNZ-ZDUSSCGKSA-N -1 3 354.233 4.286 20 0 FIADHM CC[C@@H](NCc1cccc([O-])c1Br)c1ccc(OC)cc1 ZINC000315574310 1103318672 /nfs/dbraw/zinc/31/86/72/1103318672.db2.gz NXYYWILIUOCYNI-OAHLLOKOSA-N -1 3 350.256 4.404 20 0 FIADHM O=c1ccnc(C(=Cc2csc(Br)c2)Cc2ccccc2)[n-]1 ZINC000427288427 1103414316 /nfs/dbraw/zinc/41/43/16/1103414316.db2.gz PFQBTTHYMDKHAA-ZROIWOOFSA-N -1 3 373.275 4.377 20 0 FIADHM CCC[C@@H](NC(=O)[C@H](C)SCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000477351473 1103416398 /nfs/dbraw/zinc/41/63/98/1103416398.db2.gz LZOURYSULHNAEB-WMLDXEAASA-N -1 3 373.522 4.024 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c(C)c1 ZINC000427298795 1103423297 /nfs/dbraw/zinc/42/32/97/1103423297.db2.gz GRTGWFAIIGLJJI-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cc(C)ccc2Oc2ccccc2)[n-]1 ZINC000551775746 1103619532 /nfs/dbraw/zinc/61/95/32/1103619532.db2.gz MGKXCIZCOJVOKU-UHFFFAOYSA-N -1 3 350.374 4.154 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000519734808 1103820984 /nfs/dbraw/zinc/82/09/84/1103820984.db2.gz UYDPJOIPEJZMSK-FQEVSTJZSA-N -1 3 356.429 4.278 20 0 FIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)cc1 ZINC000519877018 1103910058 /nfs/dbraw/zinc/91/00/58/1103910058.db2.gz TUEQJOAZSRWBSH-UHFFFAOYSA-N -1 3 360.479 4.034 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C)ccc2C)[nH][n-]1 ZINC000520286783 1104232591 /nfs/dbraw/zinc/23/25/91/1104232591.db2.gz XMQKKMSNBDGDEH-UHFFFAOYSA-N -1 3 355.825 4.030 20 0 FIADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000112822242 1104411865 /nfs/dbraw/zinc/41/18/65/1104411865.db2.gz ZRDOUWKFTXNABU-OAQYLSRUSA-N -1 3 362.429 4.053 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccsc2Cl)c1Br ZINC000189739155 1104841177 /nfs/dbraw/zinc/84/11/77/1104841177.db2.gz TWURYRGAPPAKAN-UHFFFAOYSA-N -1 3 366.689 4.273 20 0 FIADHM O=C([O-])[C@H](CC(F)(F)F)NCc1cccc(OCC2CCCCC2)c1 ZINC000417584333 1104996472 /nfs/dbraw/zinc/99/64/72/1104996472.db2.gz MRFMKOKDPNUBFA-INIZCTEOSA-N -1 3 359.388 4.141 20 0 FIADHM O=C([O-])C[C@H](CCNCc1csc(Cl)c1Cl)C(F)(F)F ZINC000417656491 1105051810 /nfs/dbraw/zinc/05/18/10/1105051810.db2.gz LEASRKRNFZDISX-ZETCQYMHSA-N -1 3 350.189 4.188 20 0 FIADHM O=C([O-])C[C@@H](CNCc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F ZINC000417628498 1105027987 /nfs/dbraw/zinc/02/79/87/1105027987.db2.gz PHOBKVGAJGKEEA-VIFPVBQESA-N -1 3 363.685 4.102 20 0 FIADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000614622205 1105048102 /nfs/dbraw/zinc/04/81/02/1105048102.db2.gz KDUGUISDFWMFDY-KOLCDFICSA-N -1 3 360.262 4.188 20 0 FIADHM Cc1cnc(CCN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000152422195 1105146698 /nfs/dbraw/zinc/14/66/98/1105146698.db2.gz PVIFLBWSZTUPAQ-UHFFFAOYSA-N -1 3 368.458 4.264 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c(C)c1 ZINC000427641662 1105202875 /nfs/dbraw/zinc/20/28/75/1105202875.db2.gz JKALICRNLLZPFF-UHFFFAOYSA-N -1 3 368.458 4.175 20 0 FIADHM O=C(Nc1cccc(F)c1)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000508009053 1105295445 /nfs/dbraw/zinc/29/54/45/1105295445.db2.gz MZQXSGLYYFBPLI-UHFFFAOYSA-N -1 3 362.832 4.035 20 0 FIADHM O=S(=O)([N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccsc1 ZINC000508188644 1105346374 /nfs/dbraw/zinc/34/63/74/1105346374.db2.gz XFSBVBDWFURIFN-LLVKDONJSA-N -1 3 373.780 4.123 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2csc(Cc3cccc(F)c3)n2)s1 ZINC000182677258 1106840401 /nfs/dbraw/zinc/84/04/01/1106840401.db2.gz BMCHAMBTNFSKPB-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(C(F)(F)F)cs3)on2)cc1 ZINC000031415633 1106872327 /nfs/dbraw/zinc/87/23/27/1106872327.db2.gz TUNDCIUHZSKQJL-UHFFFAOYSA-N -1 3 353.325 4.378 20 0 FIADHM O=C([O-])c1cccc(Cl)c1CN1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000530171390 1106902401 /nfs/dbraw/zinc/90/24/01/1106902401.db2.gz CSHQLKTUPVRSTF-NRFANRHFSA-N -1 3 371.864 4.398 20 0 FIADHM Cc1cc([C@H](C)N2CCC[C@]3(CCc4ccccc4O3)C2)oc1C(=O)[O-] ZINC000530173282 1106904016 /nfs/dbraw/zinc/90/40/16/1106904016.db2.gz TZFMTHSNXUNPKF-BTYIYWSLSA-N -1 3 355.434 4.207 20 0 FIADHM COc1cccc(-c2noc([N-]Cc3coc(-c4cccs4)n3)n2)c1 ZINC000301376498 1107008656 /nfs/dbraw/zinc/00/86/56/1107008656.db2.gz WFQOMAOTZRQARA-UHFFFAOYSA-N -1 3 354.391 4.074 20 0 FIADHM [O-]c1ccc(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc1F ZINC000301375796 1107008791 /nfs/dbraw/zinc/00/87/91/1107008791.db2.gz SGHQWODYFRVXBS-UHFFFAOYSA-N -1 3 364.302 4.014 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](C)c3ccc(F)cc3)nc2)n1 ZINC000301504969 1107050901 /nfs/dbraw/zinc/05/09/01/1107050901.db2.gz GLRKDCWNMUULDP-ZDUSSCGKSA-N -1 3 352.413 4.143 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3Cc3ccccc3)nc2)n1 ZINC000301550706 1107067758 /nfs/dbraw/zinc/06/77/58/1107067758.db2.gz VHYKHCWTRRGWSZ-LJQANCHMSA-N -1 3 360.461 4.018 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000451446167 1107097844 /nfs/dbraw/zinc/09/78/44/1107097844.db2.gz LPSWMVYFRJLQTC-JOCQHMNTSA-N -1 3 368.235 4.443 20 0 FIADHM CCc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000530658100 1107232740 /nfs/dbraw/zinc/23/27/40/1107232740.db2.gz QPYMUNBNISOQPM-UHFFFAOYSA-N -1 3 359.788 4.185 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1coc(-c2ccccc2)n1 ZINC000530777100 1107313307 /nfs/dbraw/zinc/31/33/07/1107313307.db2.gz NECCYKBQHHGEMN-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4cc(C)cc(C)c4)C3)nc2)n1 ZINC000302137101 1107313318 /nfs/dbraw/zinc/31/33/18/1107313318.db2.gz IFVBMLMBSQXAJD-GOSISDBHSA-N -1 3 374.488 4.417 20 0 FIADHM COc1ccccc1-c1nnc([N-]C(=O)c2csc(CC(C)C)n2)s1 ZINC000452524646 1107768243 /nfs/dbraw/zinc/76/82/43/1107768243.db2.gz PFGYYBBGBRVHPR-UHFFFAOYSA-N -1 3 374.491 4.121 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c(C)c1 ZINC000614784731 1107777992 /nfs/dbraw/zinc/77/79/92/1107777992.db2.gz ZWXGFLVORCQFGG-UHFFFAOYSA-N -1 3 361.463 4.126 20 0 FIADHM COc1ccc(CCCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000531492938 1107929087 /nfs/dbraw/zinc/92/90/87/1107929087.db2.gz SWYFQAIRMQEGBR-UHFFFAOYSA-N -1 3 364.239 4.125 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccnn1C1CCCC1 ZINC000452757172 1107948035 /nfs/dbraw/zinc/94/80/35/1107948035.db2.gz PUQHXQZZXHVOQF-UHFFFAOYSA-N -1 3 364.243 4.027 20 0 FIADHM CCN(CC)c1ncc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)s1 ZINC000453021800 1108090667 /nfs/dbraw/zinc/09/06/67/1108090667.db2.gz HMNKXNUTVIBFBI-SSZFMOIBSA-N -1 3 366.490 4.268 20 0 FIADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000445253563 1108561240 /nfs/dbraw/zinc/56/12/40/1108561240.db2.gz XBXOTSAJOGSGDZ-UHFFFAOYSA-N -1 3 363.446 4.259 20 0 FIADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000445253563 1108561254 /nfs/dbraw/zinc/56/12/54/1108561254.db2.gz XBXOTSAJOGSGDZ-UHFFFAOYSA-N -1 3 363.446 4.259 20 0 FIADHM Cc1cccc(C)c1NC(=O)Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000445331235 1108672870 /nfs/dbraw/zinc/67/28/70/1108672870.db2.gz DCMIFMMGFPHVSW-UHFFFAOYSA-N -1 3 373.412 4.393 20 0 FIADHM Cc1ccc(-c2nc(CC(=O)Nc3cccc4ccccc43)no2)c([O-])c1 ZINC000445335731 1108676592 /nfs/dbraw/zinc/67/65/92/1108676592.db2.gz XRIOKKXMPWMRSQ-UHFFFAOYSA-N -1 3 359.385 4.085 20 0 FIADHM CCCc1cc(=O)[nH]c(C(=Cc2ccc([O-])c(Br)c2)CC)n1 ZINC000193617258 1108784000 /nfs/dbraw/zinc/78/40/00/1108784000.db2.gz MACIXCPGFIHADJ-WQLSENKSSA-N -1 3 363.255 4.141 20 0 FIADHM CCOc1cc(-c2nc(-c3ccc(O)c(F)c3)no2)cc(Cl)c1[O-] ZINC000445482025 1108802264 /nfs/dbraw/zinc/80/22/64/1108802264.db2.gz OGZMGHDMRJIUKZ-UHFFFAOYSA-N -1 3 350.733 4.006 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000426757866 1108812737 /nfs/dbraw/zinc/81/27/37/1108812737.db2.gz FVDIALYEQOUQCK-CQSZACIVSA-N -1 3 361.722 4.413 20 0 FIADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000446110464 1109110013 /nfs/dbraw/zinc/11/00/13/1109110013.db2.gz YDEPMHMQRZOKPY-UHFFFAOYSA-N -1 3 354.357 4.216 20 0 FIADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000446110464 1109110019 /nfs/dbraw/zinc/11/00/19/1109110019.db2.gz YDEPMHMQRZOKPY-UHFFFAOYSA-N -1 3 354.357 4.216 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000525063507 1109246240 /nfs/dbraw/zinc/24/62/40/1109246240.db2.gz XWBSMHFNHNLXLI-JQWIXIFHSA-N -1 3 368.177 4.175 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)cc2)cc(=O)[n-]1 ZINC000525266542 1109324875 /nfs/dbraw/zinc/32/48/75/1109324875.db2.gz LIZBIWHXAIESOT-YXJHDRRASA-N -1 3 366.465 4.248 20 0 FIADHM O=C(/C=C\c1ccccc1Cl)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000035005016 1109338903 /nfs/dbraw/zinc/33/89/03/1109338903.db2.gz DRPOAGJNPNBXEC-YVMONPNESA-N -1 3 369.635 4.121 20 0 FIADHM O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000446875564 1109376333 /nfs/dbraw/zinc/37/63/33/1109376333.db2.gz MDMNYPOABHRCGQ-OAQYLSRUSA-N -1 3 364.420 4.329 20 0 FIADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1C ZINC000446962385 1109400069 /nfs/dbraw/zinc/40/00/69/1109400069.db2.gz KYWQOYKKFAQHEH-UHFFFAOYSA-N -1 3 352.868 4.367 20 0 FIADHM O=S(=O)([N-]CC(C1CC1)C1CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000525701542 1109483125 /nfs/dbraw/zinc/48/31/25/1109483125.db2.gz NHTNDVVXNCWXKM-UHFFFAOYSA-N -1 3 367.820 4.073 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)cc1 ZINC000447255189 1109488403 /nfs/dbraw/zinc/48/84/03/1109488403.db2.gz FMNPEMVODFTSFX-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccc2n[n-]nc21 ZINC000525864310 1109537431 /nfs/dbraw/zinc/53/74/31/1109537431.db2.gz GHMRAEKXLJFGOJ-UHFFFAOYSA-N -1 3 372.432 4.054 20 0 FIADHM O=C(NCc1ncccc1[O-])c1cc(Cl)ccc1SC1CCCC1 ZINC000525948395 1109560298 /nfs/dbraw/zinc/56/02/98/1109560298.db2.gz RWMZKJJLLAXSER-UHFFFAOYSA-N -1 3 362.882 4.405 20 0 FIADHM CCOC(=O)CCc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000525935283 1109565086 /nfs/dbraw/zinc/56/50/86/1109565086.db2.gz CHPYVAKZDWOVNK-UHFFFAOYSA-N -1 3 363.413 4.293 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000526010356 1109588273 /nfs/dbraw/zinc/58/82/73/1109588273.db2.gz IXDMLAPYUUOZSR-UHFFFAOYSA-N -1 3 371.314 4.293 20 0 FIADHM Cc1csc(Sc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)n1 ZINC000526116395 1109625674 /nfs/dbraw/zinc/62/56/74/1109625674.db2.gz RCZXSODWGHHBOI-UHFFFAOYSA-N -1 3 367.459 4.126 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447709679 1109629410 /nfs/dbraw/zinc/62/94/10/1109629410.db2.gz LGLMHKYDDSFGHC-KRWDZBQOSA-N -1 3 373.321 4.255 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c(C)c1 ZINC000447790756 1109645634 /nfs/dbraw/zinc/64/56/34/1109645634.db2.gz ZGMKADMXJGXKKR-UHFFFAOYSA-N -1 3 359.369 4.153 20 0 FIADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1cc(F)cc(Br)c1 ZINC000447877112 1109665063 /nfs/dbraw/zinc/66/50/63/1109665063.db2.gz CQYBCQCPIHWZNA-QMTHXVAHSA-N -1 3 368.250 4.194 20 0 FIADHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527464006 1109761297 /nfs/dbraw/zinc/76/12/97/1109761297.db2.gz OWGNWPKBKMLMOW-CQSZACIVSA-N -1 3 363.413 4.149 20 0 FIADHM COc1ccc2oc([C@H](C)NC(=O)Cc3ccc([O-])c(F)c3)c(C)c2c1 ZINC000448928019 1109935772 /nfs/dbraw/zinc/93/57/72/1109935772.db2.gz ZPXKRDJEMYIOMN-LBPRGKRZSA-N -1 3 357.381 4.014 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000449917265 1110200011 /nfs/dbraw/zinc/20/00/11/1110200011.db2.gz ZGWYGJOADHZQCD-OCCSQVGLSA-N -1 3 351.780 4.134 20 0 FIADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000529464698 1110273428 /nfs/dbraw/zinc/27/34/28/1110273428.db2.gz RSBQDYWDVFUFPV-HNNXBMFYSA-N -1 3 362.223 4.115 20 0 FIADHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000007402744 1110299108 /nfs/dbraw/zinc/29/91/08/1110299108.db2.gz ACCOJJFSQSXYDU-UHFFFAOYSA-N -1 3 365.760 4.348 20 0 FIADHM C[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000538932690 1111349615 /nfs/dbraw/zinc/34/96/15/1111349615.db2.gz VTTLZCYMIZQQME-SSDOTTSWSA-N -1 3 355.250 4.229 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(C)c(C)c3)cc2)n1 ZINC000667199716 1111418794 /nfs/dbraw/zinc/41/87/94/1111418794.db2.gz UEADBVCWAISXOG-VQTJNVASSA-N -1 3 373.456 4.104 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2ccc(Br)s2)c1[O-] ZINC000552069199 1111566837 /nfs/dbraw/zinc/56/68/37/1111566837.db2.gz IEIQTGTZODYVOJ-MRVPVSSYSA-N -1 3 368.252 4.161 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000552288370 1111651955 /nfs/dbraw/zinc/65/19/55/1111651955.db2.gz RTRPKOOVNHCUHI-LLVKDONJSA-N -1 3 365.351 4.431 20 0 FIADHM CCOC(=O)c1cc([N-]C(=O)c2nc3ccccc3s2)c(F)cc1C ZINC000552687419 1111781426 /nfs/dbraw/zinc/78/14/26/1111781426.db2.gz JXRWTQOIGONMRE-UHFFFAOYSA-N -1 3 358.394 4.173 20 0 FIADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000552782367 1111811106 /nfs/dbraw/zinc/81/11/06/1111811106.db2.gz IWFNTTFBLGEBOY-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM COc1cc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c(C)cc1C ZINC000478681022 1111854164 /nfs/dbraw/zinc/85/41/64/1111854164.db2.gz WPOVQZIOOGGCFR-UHFFFAOYSA-N -1 3 369.870 4.083 20 0 FIADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cc2cccnc21 ZINC000553230476 1111933030 /nfs/dbraw/zinc/93/30/30/1111933030.db2.gz GNHKRYRAQIZMHM-UHFFFAOYSA-N -1 3 354.381 4.050 20 0 FIADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccccc3C)c2C1 ZINC000479141430 1111954811 /nfs/dbraw/zinc/95/48/11/1111954811.db2.gz GJTZRYVPLIUWQQ-MRXNPFEDSA-N -1 3 358.507 4.300 20 0 FIADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000479525297 1112053089 /nfs/dbraw/zinc/05/30/89/1112053089.db2.gz KBCGBUOPCNNWAF-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000155809229 1112320198 /nfs/dbraw/zinc/32/01/98/1112320198.db2.gz LFFURCQIGBVJJG-UHFFFAOYSA-N -1 3 363.866 4.148 20 0 FIADHM CCCCn1ncc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c1C(C)C ZINC000480208115 1112332439 /nfs/dbraw/zinc/33/24/39/1112332439.db2.gz HRAASZMHBUZRQJ-INIZCTEOSA-N -1 3 363.527 4.352 20 0 FIADHM Cc1nc(-c2ccc(N3CCC[C@@H](C(F)(F)F)[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000480301038 1112377419 /nfs/dbraw/zinc/37/74/19/1112377419.db2.gz MRJJDUUAUYWEGZ-GXTWGEPZSA-N -1 3 366.387 4.028 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)cc2)cc(=O)[n-]1 ZINC000480361641 1112400397 /nfs/dbraw/zinc/40/03/97/1112400397.db2.gz VDKCWDBUDNZFMV-SPLOXXLWSA-N -1 3 374.444 4.383 20 0 FIADHM COc1cccc(C2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)c1 ZINC000667672326 1112419721 /nfs/dbraw/zinc/41/97/21/1112419721.db2.gz RRGLNXRZOXYZFH-UHFFFAOYSA-N -1 3 357.475 4.143 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000555067720 1112650321 /nfs/dbraw/zinc/65/03/21/1112650321.db2.gz PYKAFGGXSDIESA-INIZCTEOSA-N -1 3 363.816 4.006 20 0 FIADHM Cc1nc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)[nH]c1C ZINC000555069752 1112651355 /nfs/dbraw/zinc/65/13/55/1112651355.db2.gz VBCBVNWPNWFLKN-UHFFFAOYSA-N -1 3 358.448 4.289 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(Cl)c(F)cc1Cl ZINC000555421807 1112827353 /nfs/dbraw/zinc/82/73/53/1112827353.db2.gz NSMAIJBAPPOYFA-UHFFFAOYSA-N -1 3 358.181 4.496 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c(C)o1 ZINC000555447958 1112853768 /nfs/dbraw/zinc/85/37/68/1112853768.db2.gz BQRRDCJGXAPZMB-UHFFFAOYSA-N -1 3 364.648 4.113 20 0 FIADHM O=c1[n-]nc(SCc2sccc2Cl)n1CCc1ccccc1 ZINC000555465303 1112867920 /nfs/dbraw/zinc/86/79/20/1112867920.db2.gz DEEOELLUQDRFNS-UHFFFAOYSA-N -1 3 351.884 4.234 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccc(OCC3CCCCC3)cc2)[n-]1 ZINC001142642872 1112962797 /nfs/dbraw/zinc/96/27/97/1112962797.db2.gz URTNDWUGYZVAIB-UHFFFAOYSA-N -1 3 356.422 4.013 20 0 FIADHM C[C@@H]1CN(Cc2ccc(Cl)cc2C(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001142643384 1112963538 /nfs/dbraw/zinc/96/35/38/1112963538.db2.gz RUVBSRGWEPNUKQ-CVEARBPZSA-N -1 3 372.896 4.133 20 0 FIADHM Cc1ccc(-c2nsc([N-]C(=O)c3cc(C)c(F)cc3F)n2)s1 ZINC000482499947 1113278651 /nfs/dbraw/zinc/27/86/51/1113278651.db2.gz GUKYLMQLGKNDEB-UHFFFAOYSA-N -1 3 351.403 4.414 20 0 FIADHM C[C@]1(c2ccc(F)cc2)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000483012869 1113424530 /nfs/dbraw/zinc/42/45/30/1113424530.db2.gz CZOWULBMBTVKCF-NRFANRHFSA-N -1 3 359.416 4.183 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3ccc(F)cc3)nc2)n1 ZINC000486441133 1113568642 /nfs/dbraw/zinc/56/86/42/1113568642.db2.gz FFQIOGZMFVHSHT-SFHVURJKSA-N -1 3 364.424 4.287 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000486785756 1113649334 /nfs/dbraw/zinc/64/93/34/1113649334.db2.gz DNWWUAIXFYAHDJ-GGPKGHCWSA-N -1 3 368.452 4.399 20 0 FIADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000488645237 1113966484 /nfs/dbraw/zinc/96/64/84/1113966484.db2.gz MQUVLZLJAUMMKS-UHFFFAOYSA-N -1 3 373.371 4.069 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2Cl)c1cc(F)ccc1Cl ZINC000488700113 1113978488 /nfs/dbraw/zinc/97/84/88/1113978488.db2.gz MNBARGQOLDPRBT-CQSZACIVSA-N -1 3 360.237 4.098 20 0 FIADHM Cc1cc(F)ccc1C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000489161232 1114058636 /nfs/dbraw/zinc/05/86/36/1114058636.db2.gz UJJMFHHLKSPSSB-UHFFFAOYSA-N -1 3 360.404 4.068 20 0 FIADHM CC(C)(C)OC(=O)c1cc([N-]C(=O)c2snc(Cl)c2Cl)ccn1 ZINC000912335293 1114087247 /nfs/dbraw/zinc/08/72/47/1114087247.db2.gz BWEBDAWNYWLQHS-UHFFFAOYSA-N -1 3 374.249 4.053 20 0 FIADHM C[C@H](Oc1ccccc1Br)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000489409302 1114103269 /nfs/dbraw/zinc/10/32/69/1114103269.db2.gz OYWNJUOMNLMAGU-VIFPVBQESA-N -1 3 370.630 4.214 20 0 FIADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1ccccc1Br ZINC000490581761 1114306878 /nfs/dbraw/zinc/30/68/78/1114306878.db2.gz FMUGVIWXYLMGJO-UHFFFAOYSA-N -1 3 368.658 4.473 20 0 FIADHM COc1ccc([O-])c(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)c1 ZINC000490908198 1114346203 /nfs/dbraw/zinc/34/62/03/1114346203.db2.gz MMLJYHJAPDJLGY-UHFFFAOYSA-N -1 3 374.440 4.068 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=C(C)c3ccccc3)c2)n1 ZINC000055408061 1114471268 /nfs/dbraw/zinc/47/12/68/1114471268.db2.gz GMUCHDDSKGAZJZ-QINSGFPZSA-N -1 3 359.429 4.041 20 0 FIADHM O=C([O-])c1cccc(Cl)c1CN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571537301 1114480477 /nfs/dbraw/zinc/48/04/77/1114480477.db2.gz FTURYGLMBNNUHO-FQEVSTJZSA-N -1 3 357.837 4.008 20 0 FIADHM O=C([O-])[C@H](c1ccsc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000572127453 1114611256 /nfs/dbraw/zinc/61/12/56/1114611256.db2.gz FFNJIWHGJUGSKV-INIZCTEOSA-N -1 3 363.866 4.122 20 0 FIADHM COc1cc(CN(C)Cc2ncccc2[O-])ccc1OCc1ccccc1 ZINC000572886193 1114803567 /nfs/dbraw/zinc/80/35/67/1114803567.db2.gz CTIZSKFDFQTCLZ-UHFFFAOYSA-N -1 3 364.445 4.007 20 0 FIADHM CCc1oc(C(=O)[O-])cc1CN1CCC(Cc2c(F)cccc2F)CC1 ZINC000572901295 1114805859 /nfs/dbraw/zinc/80/58/59/1114805859.db2.gz HYFKCVLJZFSKCO-UHFFFAOYSA-N -1 3 363.404 4.273 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](c2ccncc2)C1 ZINC000572973483 1114940201 /nfs/dbraw/zinc/94/02/01/1114940201.db2.gz YLLKDCKIQJZVDJ-NRFANRHFSA-N -1 3 372.468 4.202 20 0 FIADHM COC(=O)c1cccc([N-]C(=O)c2cc(-c3ccccc3)no2)c1Cl ZINC000590567144 1114949199 /nfs/dbraw/zinc/94/91/99/1114949199.db2.gz XUJKCPOZQHDVJN-UHFFFAOYSA-N -1 3 356.765 4.034 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3csc(C(C)(C)C)n3)n2)cc1 ZINC000590681535 1114963368 /nfs/dbraw/zinc/96/33/68/1114963368.db2.gz JYJMGCBLNXZFIO-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM COc1ccccc1-c1cc(=NC(=O)C[C@@H](c2ccccc2)C(C)C)[nH][n-]1 ZINC000590809713 1114978511 /nfs/dbraw/zinc/97/85/11/1114978511.db2.gz UDYZZGGSIKJRJN-GOSISDBHSA-N -1 3 363.461 4.276 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3cccc4[nH]ccc43)cc2)cc(=O)[n-]1 ZINC000591399993 1115077444 /nfs/dbraw/zinc/07/74/44/1115077444.db2.gz SAORBJMNMMEWCW-UHFFFAOYSA-N -1 3 359.389 4.283 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000591683510 1115122362 /nfs/dbraw/zinc/12/23/62/1115122362.db2.gz LSROUAFEUAHUCL-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM [O-]c1cccc(Cl)c1CNc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000157479115 1115148406 /nfs/dbraw/zinc/14/84/06/1115148406.db2.gz MGASUTOLRPPUDR-UHFFFAOYSA-N -1 3 368.746 4.257 20 0 FIADHM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)CC2 ZINC000592470447 1115235247 /nfs/dbraw/zinc/23/52/47/1115235247.db2.gz XKDCIZVWKMSDFN-IBGZPJMESA-N -1 3 374.444 4.275 20 0 FIADHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(C(C)(C)C)c(F)c1)c2=O ZINC001649010178 1115290851 /nfs/dbraw/zinc/29/08/51/1115290851.db2.gz MGSXSTWACKMFKC-UHFFFAOYSA-N -1 3 368.408 4.226 20 0 FIADHM CNc1ccc(C(=O)Nc2c(C)c(Br)ccc2[O-])c(Cl)c1 ZINC001141437586 1115317136 /nfs/dbraw/zinc/31/71/36/1115317136.db2.gz WFVXPNJWBPIOEN-UHFFFAOYSA-N -1 3 369.646 4.411 20 0 FIADHM CC(C)C[C@H](CNCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000574269760 1115317210 /nfs/dbraw/zinc/31/72/10/1115317210.db2.gz SPBVLKMVHZXNOS-CYBMUJFWSA-N -1 3 352.887 4.300 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)c2ccccc2F)[nH][n-]1 ZINC000596315052 1115583615 /nfs/dbraw/zinc/58/36/15/1115583615.db2.gz AZYCJKFBHHWZHT-LLVKDONJSA-N -1 3 373.815 4.042 20 0 FIADHM C[C@@H](SCC[C@H](C)O)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000596324024 1115584130 /nfs/dbraw/zinc/58/41/30/1115584130.db2.gz TXUJVGQJUSWJAR-VHSXEESVSA-N -1 3 350.465 4.222 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Br)cnc1Cl ZINC000060358723 1115625321 /nfs/dbraw/zinc/62/53/21/1115625321.db2.gz NWDFDOWKADFFFK-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM O=C(NCc1ccsc1Br)c1cc([O-])c2ccccc2c1 ZINC000514026652 1115677645 /nfs/dbraw/zinc/67/76/45/1115677645.db2.gz JHIKYISQLSDLKP-UHFFFAOYSA-N -1 3 362.248 4.299 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC4(CCCCC4)C3)nc2)n1 ZINC000599963813 1115856959 /nfs/dbraw/zinc/85/69/59/1115856959.db2.gz PTCZZEMWXYGMPL-UHFFFAOYSA-N -1 3 352.482 4.357 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)cc1 ZINC000171773129 1115874788 /nfs/dbraw/zinc/87/47/88/1115874788.db2.gz WHGQFNOUOJGDLB-UHFFFAOYSA-N -1 3 362.520 4.118 20 0 FIADHM COc1ccc(N[C@@H](C)c2cccc3ccccc32)cc1[N-]S(C)(=O)=O ZINC000171975451 1115896963 /nfs/dbraw/zinc/89/69/63/1115896963.db2.gz PVNDTJMEZCJELP-AWEZNQCLSA-N -1 3 370.474 4.393 20 0 FIADHM C[C@H]1c2ccc(F)cc2CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000606448946 1115944977 /nfs/dbraw/zinc/94/49/77/1115944977.db2.gz KHAUHGRJRPQVOE-LBPRGKRZSA-N -1 3 363.392 4.340 20 0 FIADHM COc1ccc(Nc2ccccc2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606537263 1115953881 /nfs/dbraw/zinc/95/38/81/1115953881.db2.gz MOAVHUOWTOLIHF-UHFFFAOYSA-N -1 3 366.392 4.214 20 0 FIADHM O=S(=O)([N-]CC1(c2cccc(Cl)c2)CC1)c1ccc(Cl)s1 ZINC000606909569 1115981825 /nfs/dbraw/zinc/98/18/25/1115981825.db2.gz ZWYWANQVDWSZKJ-UHFFFAOYSA-N -1 3 362.303 4.065 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000535134093 1116274888 /nfs/dbraw/zinc/27/48/88/1116274888.db2.gz MDSQISTYOLQHPM-QUCCMNQESA-N -1 3 366.461 4.067 20 0 FIADHM CCSc1nnc([N-]C(=O)c2sc(C)cc2Br)s1 ZINC000457477320 1116282923 /nfs/dbraw/zinc/28/29/23/1116282923.db2.gz BKVKJYJSPPCCGF-UHFFFAOYSA-N -1 3 364.315 4.035 20 0 FIADHM CCc1oc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1C ZINC000761401455 1116348134 /nfs/dbraw/zinc/34/81/34/1116348134.db2.gz USUHFSTXYZVIEW-SNVBAGLBSA-N -1 3 360.435 4.396 20 0 FIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)s1 ZINC000462466917 1116357291 /nfs/dbraw/zinc/35/72/91/1116357291.db2.gz YHHVJMHMXMWYBE-UHFFFAOYSA-N -1 3 368.362 4.312 20 0 FIADHM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1cccc(Cl)c1Cl ZINC000462694082 1116391477 /nfs/dbraw/zinc/39/14/77/1116391477.db2.gz XVXXKFUJMKKUEJ-UHFFFAOYSA-N -1 3 366.216 4.410 20 0 FIADHM CO[C@H](C)c1nsc([N-]C(=O)c2cc3c(cccc3Cl)s2)n1 ZINC000669852632 1117774210 /nfs/dbraw/zinc/77/42/10/1117774210.db2.gz HBBAARHGPLBOOC-SSDOTTSWSA-N -1 3 353.856 4.366 20 0 FIADHM CSCc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000540213587 1117939881 /nfs/dbraw/zinc/93/98/81/1117939881.db2.gz QBSSXXFZQSDXSC-UHFFFAOYSA-N -1 3 351.493 4.138 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1 ZINC000540498375 1118094320 /nfs/dbraw/zinc/09/43/20/1118094320.db2.gz YGEKYQRSHHDQBW-UHFFFAOYSA-N -1 3 351.493 4.307 20 0 FIADHM O=C([N-]c1csc(-c2ccccn2)n1)c1cc(-c2ccc(F)cc2)on1 ZINC000541271746 1118454833 /nfs/dbraw/zinc/45/48/33/1118454833.db2.gz DDWUSJVUMDEKTR-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM CSc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1C ZINC000541303703 1118467083 /nfs/dbraw/zinc/46/70/83/1118467083.db2.gz DTOKJUAUVUZSSX-UHFFFAOYSA-N -1 3 373.446 4.162 20 0 FIADHM Cc1nc(C)c(CC(=O)N(CCC(C)C)[C@@H](C)CCCC(C)C)c(=O)[n-]1 ZINC000464273992 1118508336 /nfs/dbraw/zinc/50/83/36/1118508336.db2.gz FPFDVCCYZUZDNA-INIZCTEOSA-N -1 3 363.546 4.431 20 0 FIADHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000464365930 1118537154 /nfs/dbraw/zinc/53/71/54/1118537154.db2.gz LYSLCTGPWGWUOL-SSDOTTSWSA-N -1 3 357.806 4.174 20 0 FIADHM COc1ccc(-c2nc(NC(=O)c3cccc(OC)c3[O-])sc2C)cc1 ZINC000301995778 1118590352 /nfs/dbraw/zinc/59/03/52/1118590352.db2.gz KBVXJYNCESGKJM-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000541739662 1118627994 /nfs/dbraw/zinc/62/79/94/1118627994.db2.gz ACPYCBIFODEGIB-XLIONFOSSA-N -1 3 357.425 4.086 20 0 FIADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1ccc(F)cc1F ZINC000302534076 1118636893 /nfs/dbraw/zinc/63/68/93/1118636893.db2.gz KURYHCHHYHTFJL-UHFFFAOYSA-N -1 3 369.443 4.422 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[C@@H](C)[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000541787102 1118646197 /nfs/dbraw/zinc/64/61/97/1118646197.db2.gz HPEJVCLGZKGOFB-IIYDPXPESA-N -1 3 354.454 4.104 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000542009025 1118750690 /nfs/dbraw/zinc/75/06/90/1118750690.db2.gz YWCOGVWOLWJKJB-UHFFFAOYSA-N -1 3 371.167 4.208 20 0 FIADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000175383823 1119204632 /nfs/dbraw/zinc/20/46/32/1119204632.db2.gz ISKBMDIYGQVINF-IBGZPJMESA-N -1 3 364.445 4.054 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1 ZINC000176743018 1119291644 /nfs/dbraw/zinc/29/16/44/1119291644.db2.gz ZFSIKHLUKAHDQX-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM CC(C)c1csc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000178626731 1119398769 /nfs/dbraw/zinc/39/87/69/1119398769.db2.gz RJWOTWFJQRJUID-UHFFFAOYSA-N -1 3 370.272 4.056 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1sccc1SC(F)F ZINC000730472352 1119422961 /nfs/dbraw/zinc/42/29/61/1119422961.db2.gz OOPZXCDRWLJAFM-UHFFFAOYSA-N -1 3 359.404 4.427 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CCCC(F)(F)F)nc2)n1 ZINC000493392611 1119450426 /nfs/dbraw/zinc/45/04/26/1119450426.db2.gz XOUYEJQAKCBHFJ-LLVKDONJSA-N -1 3 354.376 4.340 20 0 FIADHM Cc1c([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cnn1-c1ccccc1 ZINC000152600135 1119465082 /nfs/dbraw/zinc/46/50/82/1119465082.db2.gz IATVFLOBBFGBOI-VAWYXSNFSA-N -1 3 373.865 4.247 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c(C)c1 ZINC000007410100 1119480599 /nfs/dbraw/zinc/48/05/99/1119480599.db2.gz ODBWFTQUQQNERG-UHFFFAOYSA-N -1 3 361.797 4.359 20 0 FIADHM Cn1c2ccccc2nc1[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000185507121 1119668155 /nfs/dbraw/zinc/66/81/55/1119668155.db2.gz DKJIMTBRRAARSO-NRFANRHFSA-N -1 3 361.420 4.297 20 0 FIADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000494323123 1119832067 /nfs/dbraw/zinc/83/20/67/1119832067.db2.gz PDJGDMVQCGKYOW-QMMMGPOBSA-N -1 3 364.216 4.393 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000494556056 1119904051 /nfs/dbraw/zinc/90/40/51/1119904051.db2.gz CAEZRSZLQVWPSP-GOSISDBHSA-N -1 3 356.441 4.228 20 0 FIADHM Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000465413335 1119904748 /nfs/dbraw/zinc/90/47/48/1119904748.db2.gz TUEIOQAWGUZFJJ-UHFFFAOYSA-N -1 3 353.426 4.083 20 0 FIADHM CC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000191881404 1119999819 /nfs/dbraw/zinc/99/98/19/1119999819.db2.gz QFADOAWJDARHCP-AWEZNQCLSA-N -1 3 374.506 4.479 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000053446140 1120538330 /nfs/dbraw/zinc/53/83/30/1120538330.db2.gz PXTMIMHVSKXLGX-GOSISDBHSA-N -1 3 352.821 4.159 20 0 FIADHM COc1ccc(NC(=O)[C@@H](OC(=O)c2cc3ccsc3[n-]2)C(C)C)cc1 ZINC000914888972 1120627169 /nfs/dbraw/zinc/62/71/69/1120627169.db2.gz DAHYEWZLXIZYJF-INIZCTEOSA-N -1 3 372.446 4.058 20 0 FIADHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)o1 ZINC000053482285 1120654801 /nfs/dbraw/zinc/65/48/01/1120654801.db2.gz PLYPNGRBLCSJPW-CXAGYDPISA-N -1 3 362.429 4.049 20 0 FIADHM O=C(/C=C\Sc1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000915198810 1120865794 /nfs/dbraw/zinc/86/57/94/1120865794.db2.gz QBBNGBAPBIWOHM-HJWRWDBZSA-N -1 3 350.237 4.399 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(SC(C)(C)C)cn3)no2)c1[O-] ZINC000762389036 1120900022 /nfs/dbraw/zinc/90/00/22/1120900022.db2.gz YGWYUBZSTUSKRV-UHFFFAOYSA-N -1 3 357.435 4.403 20 0 FIADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1C1CC1 ZINC000762476743 1120914503 /nfs/dbraw/zinc/91/45/03/1120914503.db2.gz QFAIWFGPJVLTGO-OCHBPSSRSA-N -1 3 363.458 4.283 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccsc3)c2)n1 ZINC000915744551 1121043492 /nfs/dbraw/zinc/04/34/92/1121043492.db2.gz OSHPHBQSRCMICZ-SREVYHEPSA-N -1 3 351.431 4.125 20 0 FIADHM Cc1ccc(CCC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1 ZINC000055452743 1121246232 /nfs/dbraw/zinc/24/62/32/1121246232.db2.gz CYSMSWPEXWPVHY-UHFFFAOYSA-N -1 3 374.484 4.322 20 0 FIADHM CC(C)(C)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)cc1 ZINC000056009134 1121288787 /nfs/dbraw/zinc/28/87/87/1121288787.db2.gz YJRBEGINWRBDKA-LJQANCHMSA-N -1 3 352.409 4.184 20 0 FIADHM CC(C)[C@H]1c2ccccc2CCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000763244581 1121303180 /nfs/dbraw/zinc/30/31/80/1121303180.db2.gz WGILLVAQOVDNRJ-SFHVURJKSA-N -1 3 365.506 4.216 20 0 FIADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc(C(F)(F)F)s1 ZINC000671706108 1121349960 /nfs/dbraw/zinc/34/99/60/1121349960.db2.gz PAXGWKVAKPECFR-UHFFFAOYSA-N -1 3 369.393 4.462 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911543 1121593480 /nfs/dbraw/zinc/59/34/80/1121593480.db2.gz FTUHYMNAIIFRHJ-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM CC(=O)Nc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc(C(F)(F)F)c1 ZINC000123830741 1121637344 /nfs/dbraw/zinc/63/73/44/1121637344.db2.gz STFVXOYFHBLARD-UHFFFAOYSA-N -1 3 372.730 4.275 20 0 FIADHM Cc1ccc(-c2nnc([N-]C(=O)c3cnc4ccccc4n3)s2)c(C)c1 ZINC000065083996 1121653954 /nfs/dbraw/zinc/65/39/54/1121653954.db2.gz VFRZUDPATCJSQW-UHFFFAOYSA-N -1 3 361.430 4.017 20 0 FIADHM Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c([O-])c1 ZINC000066034038 1121733680 /nfs/dbraw/zinc/73/36/80/1121733680.db2.gz ZHVLGTVWODGTMN-UHFFFAOYSA-N -1 3 366.461 4.149 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)c(C)c1 ZINC000066814870 1121758458 /nfs/dbraw/zinc/75/84/58/1121758458.db2.gz AJPBQQBOZIQHOJ-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cc(Cl)ccc1[O-] ZINC000067138884 1121770341 /nfs/dbraw/zinc/77/03/41/1121770341.db2.gz YWPUBFGNXLNMLH-UHFFFAOYSA-N -1 3 360.772 4.411 20 0 FIADHM COc1ccc2c(CC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)coc2c1 ZINC000125342918 1121771638 /nfs/dbraw/zinc/77/16/38/1121771638.db2.gz KFXMBLMOBHFIEV-UHFFFAOYSA-N -1 3 365.307 4.347 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)C=C(C)c3cccc(Cl)c3)nc21 ZINC001127418003 1121827933 /nfs/dbraw/zinc/82/79/33/1121827933.db2.gz DUFQAEVBJGLFRX-LUAWRHEFSA-N -1 3 369.808 4.045 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1OC(F)F ZINC000126010543 1121909523 /nfs/dbraw/zinc/90/95/23/1121909523.db2.gz PYLUNSNDSZBRRN-UHFFFAOYSA-N -1 3 358.138 4.008 20 0 FIADHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cccc2ncccc12 ZINC000127151956 1122055785 /nfs/dbraw/zinc/05/57/85/1122055785.db2.gz IMYFIRYCGFPZKG-UHFFFAOYSA-N -1 3 366.364 4.196 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC2(CCOCC2)CC1 ZINC000671914803 1122197303 /nfs/dbraw/zinc/19/73/03/1122197303.db2.gz ZNYFPKKGHOEEAD-UHFFFAOYSA-N -1 3 367.445 4.217 20 0 FIADHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc([O-])c1F ZINC000128216720 1122206547 /nfs/dbraw/zinc/20/65/47/1122206547.db2.gz CEWRFTKWUKDLPL-UHFFFAOYSA-N -1 3 360.385 4.278 20 0 FIADHM CCn1c2ccc(Cl)cc2nc1NC(=O)c1cc([O-])ccc1Cl ZINC000497419391 1122217674 /nfs/dbraw/zinc/21/76/74/1122217674.db2.gz SZUQXHNTXYLCPY-UHFFFAOYSA-N -1 3 350.205 4.321 20 0 FIADHM O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc([O-])c1F ZINC000128368415 1122261970 /nfs/dbraw/zinc/26/19/70/1122261970.db2.gz KQBFYRUPLXFSBP-UHFFFAOYSA-N -1 3 364.420 4.172 20 0 FIADHM O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc([O-])c1F ZINC000128518733 1122327457 /nfs/dbraw/zinc/32/74/57/1122327457.db2.gz JFXCTMPKXLEVGU-UHFFFAOYSA-N -1 3 360.772 4.411 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000154414561 1122333565 /nfs/dbraw/zinc/33/35/65/1122333565.db2.gz DLSYVRVIQPTPJX-QGZVFWFLSA-N -1 3 353.378 4.075 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000154414561 1122333571 /nfs/dbraw/zinc/33/35/71/1122333571.db2.gz DLSYVRVIQPTPJX-QGZVFWFLSA-N -1 3 353.378 4.075 20 0 FIADHM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000497786495 1122411788 /nfs/dbraw/zinc/41/17/88/1122411788.db2.gz YKCSOOUZRZDMIW-RDTXWAMCSA-N -1 3 372.440 4.223 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000129528707 1122625380 /nfs/dbraw/zinc/62/53/80/1122625380.db2.gz ARUHONCNMSFVMY-UHFFFAOYSA-N -1 3 366.179 4.276 20 0 FIADHM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1cc([O-])ccc1Cl ZINC000556080490 1122643598 /nfs/dbraw/zinc/64/35/98/1122643598.db2.gz HHGDFXKMGOREOG-KRWDZBQOSA-N -1 3 365.832 4.408 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000129685312 1122669199 /nfs/dbraw/zinc/66/91/99/1122669199.db2.gz NKGWTCOGFZJEHB-UHFFFAOYSA-N -1 3 363.348 4.229 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c2ccccc12 ZINC000072027129 1122968752 /nfs/dbraw/zinc/96/87/52/1122968752.db2.gz OTIIUHROWMHQJA-UHFFFAOYSA-N -1 3 359.422 4.487 20 0 FIADHM Cc1cccc2c(CC(=O)Nc3ccc(Br)cc3[O-])c[nH]c21 ZINC000131436067 1123071700 /nfs/dbraw/zinc/07/17/00/1123071700.db2.gz PPZQDNBUXRDLFQ-UHFFFAOYSA-N -1 3 359.223 4.126 20 0 FIADHM O=C([N-]OCCC(F)(F)F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000155047279 1123078609 /nfs/dbraw/zinc/07/86/09/1123078609.db2.gz VRVINZOBASDWLE-RYUDHWBXSA-N -1 3 370.396 4.346 20 0 FIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000556798431 1123101337 /nfs/dbraw/zinc/10/13/37/1123101337.db2.gz WVWOXRWHHKAARA-UHFFFAOYSA-N -1 3 372.475 4.257 20 0 FIADHM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000919745462 1123118665 /nfs/dbraw/zinc/11/86/65/1123118665.db2.gz WNZRUSJDACTOGC-UHFFFAOYSA-N -1 3 374.362 4.209 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CCC(OC(F)F)CC1 ZINC000556936362 1123252115 /nfs/dbraw/zinc/25/21/15/1123252115.db2.gz SFDWFVCVWSKTQT-UHFFFAOYSA-N -1 3 353.287 4.148 20 0 FIADHM O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000499116099 1123255911 /nfs/dbraw/zinc/25/59/11/1123255911.db2.gz LXQQXHZAJJCGQC-ZDUSSCGKSA-N -1 3 365.685 4.357 20 0 FIADHM COc1cccc(-c2nsc([N-]C(=O)c3cnc(C(C)C)s3)n2)c1 ZINC000132644245 1123312227 /nfs/dbraw/zinc/31/22/27/1123312227.db2.gz KXKCNQJYHRBKLS-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM O=C(Nc1ncccc1[O-])c1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000920273768 1123429093 /nfs/dbraw/zinc/42/90/93/1123429093.db2.gz AQXJBIJCDYSQAJ-UHFFFAOYSA-N -1 3 359.385 4.100 20 0 FIADHM [O-]c1cc2c(cc1-c1nc(-c3ccc(Cl)cc3Cl)no1)OCO2 ZINC000445456413 1123479550 /nfs/dbraw/zinc/47/95/50/1123479550.db2.gz OFDVVTHVKZWCQN-UHFFFAOYSA-N -1 3 351.145 4.145 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920815960 1123523266 /nfs/dbraw/zinc/52/32/66/1123523266.db2.gz DCOLZNDNPZEEFY-HNNXBMFYSA-N -1 3 360.251 4.002 20 0 FIADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000920844111 1123528028 /nfs/dbraw/zinc/52/80/28/1123528028.db2.gz UGTHOLYBVSEELC-SNVBAGLBSA-N -1 3 359.294 4.396 20 0 FIADHM O=C([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)C(F)(F)c1ccc(F)cc1 ZINC000920844075 1123528068 /nfs/dbraw/zinc/52/80/68/1123528068.db2.gz PXGXILBGXQRFIX-IRXDYDNUSA-N -1 3 367.342 4.093 20 0 FIADHM CCc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[nH]c(C)c1C(C)=O ZINC000134222943 1123609311 /nfs/dbraw/zinc/60/93/11/1123609311.db2.gz XTMHQZPDVYIIIN-UHFFFAOYSA-N -1 3 354.328 4.065 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(Nc3ccccc3F)s2)n1 ZINC000136811282 1123938786 /nfs/dbraw/zinc/93/87/86/1123938786.db2.gz CMWSMSZALVNRKC-SECBINFHSA-N -1 3 363.443 4.078 20 0 FIADHM CC(C)(C)n1cc(Br)c(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC000615322404 1123989637 /nfs/dbraw/zinc/98/96/37/1123989637.db2.gz RSOLMKCVSVVRDD-UHFFFAOYSA-N -1 3 372.650 4.012 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000615840963 1124134694 /nfs/dbraw/zinc/13/46/94/1124134694.db2.gz GHJSWLNTGWJQHJ-ZJUUUORDSA-N -1 3 366.177 4.462 20 0 FIADHM Cc1cc(C)cc(C2(C(=O)Nc3ccc(Br)cc3[O-])CC2)c1 ZINC000615841586 1124134708 /nfs/dbraw/zinc/13/47/08/1124134708.db2.gz XRUBOWMXCIJGTO-UHFFFAOYSA-N -1 3 360.251 4.442 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000615973078 1124180399 /nfs/dbraw/zinc/18/03/99/1124180399.db2.gz FSTZUIDWRYADCW-UHFFFAOYSA-N -1 3 370.792 4.452 20 0 FIADHM Cc1ccc(SC2CCCC2)c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000616824842 1124387936 /nfs/dbraw/zinc/38/79/36/1124387936.db2.gz OYWQASDLWBNSDK-QGZVFWFLSA-N -1 3 371.506 4.279 20 0 FIADHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2cccc(F)c2SC)s1 ZINC000617275182 1124501335 /nfs/dbraw/zinc/50/13/35/1124501335.db2.gz WQWVEJWJTFCSCG-UHFFFAOYSA-N -1 3 354.472 4.446 20 0 FIADHM O=C([O-])[C@@H]1CC12CCN(CCSc1cc(Cl)ccc1Cl)CC2 ZINC000405317697 1124537687 /nfs/dbraw/zinc/53/76/87/1124537687.db2.gz BKKOLNKLQIMLGA-LBPRGKRZSA-N -1 3 360.306 4.272 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)cc1 ZINC000247907478 1124730558 /nfs/dbraw/zinc/73/05/58/1124730558.db2.gz CSINNJZFILNWTJ-GFCCVEGCSA-N -1 3 364.442 4.098 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OC ZINC000007109333 1124872103 /nfs/dbraw/zinc/87/21/03/1124872103.db2.gz WHYKDFKGBIUNRZ-UHFFFAOYSA-N -1 3 363.479 4.128 20 0 FIADHM CC(C)Cc1nc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cs1 ZINC000063569108 1124931367 /nfs/dbraw/zinc/93/13/67/1124931367.db2.gz WTSXHVRORCKGTQ-UHFFFAOYSA-N -1 3 358.492 4.036 20 0 FIADHM C[C@@H]1CC(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@@H](C)C1 ZINC001212450209 1125065154 /nfs/dbraw/zinc/06/51/54/1125065154.db2.gz LNRRRJDJAVIWIL-KBPBESRZSA-N -1 3 364.536 4.161 20 0 FIADHM C[C@H]1CC(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H](C)C1 ZINC001212449833 1125066913 /nfs/dbraw/zinc/06/69/13/1125066913.db2.gz CESXLHFTNFHMPV-GHMZBOCLSA-N -1 3 350.311 4.344 20 0 FIADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000465982325 1125165216 /nfs/dbraw/zinc/16/52/16/1125165216.db2.gz MJYGVTNZNUNXRT-DJCROIMJSA-N -1 3 362.832 4.381 20 0 FIADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000465990824 1125230291 /nfs/dbraw/zinc/23/02/91/1125230291.db2.gz YZQZCLCYQNNTOM-GOSISDBHSA-N -1 3 362.420 4.079 20 0 FIADHM Cc1cc(C(C#N)=C([O-])C=Cc2cccc(OC3CCCC3)c2)nc(C)n1 ZINC000070032612 1125245209 /nfs/dbraw/zinc/24/52/09/1125245209.db2.gz GJVHRJZTFUQMTP-CFGKVWFZSA-N -1 3 361.445 4.305 20 0 FIADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000603502417 568108997 /nfs/dbraw/zinc/10/89/97/568108997.db2.gz KXCVXAPOFXPTJK-CMPLNLGQSA-N -1 3 374.289 4.329 20 0 FIADHM Cc1noc([C@@H](C)SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000604049272 568201261 /nfs/dbraw/zinc/20/12/61/568201261.db2.gz JTQYCTPKCNKJKE-MRVPVSSYSA-N -1 3 374.447 4.343 20 0 FIADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC000604117557 568213258 /nfs/dbraw/zinc/21/32/58/568213258.db2.gz XXDGZTRTQQRIHX-UHFFFAOYSA-N -1 3 374.393 4.280 20 0 FIADHM COc1ccc(F)cc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000604263611 568237021 /nfs/dbraw/zinc/23/70/21/568237021.db2.gz PKGSBUFQGNTEHH-UHFFFAOYSA-N -1 3 357.410 4.222 20 0 FIADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(F)c(F)c(F)c3)s2)c1 ZINC000604264017 568237113 /nfs/dbraw/zinc/23/71/13/568237113.db2.gz NZRBQZNHRHLYSX-UHFFFAOYSA-N -1 3 363.364 4.492 20 0 FIADHM Cc1c(C[N-]S(=O)(=O)c2cccc(Cl)c2F)oc2ccccc12 ZINC000604406089 568296363 /nfs/dbraw/zinc/29/63/63/568296363.db2.gz RPGKGUAKUUSRAO-UHFFFAOYSA-N -1 3 353.802 4.012 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2ccc(N3CCC(C)CC3)nc2)c1[O-] ZINC000604901696 568384830 /nfs/dbraw/zinc/38/48/30/568384830.db2.gz XIEOXFFZVMQRBC-UHFFFAOYSA-N -1 3 359.857 4.238 20 0 FIADHM CCCC[C@H](CC)CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000604974793 568474900 /nfs/dbraw/zinc/47/49/00/568474900.db2.gz NHTZYOGPDSTOBC-AWEZNQCLSA-N -1 3 370.515 4.002 20 0 FIADHM Cc1ccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)c([O-])c1 ZINC000007284562 568489793 /nfs/dbraw/zinc/48/97/93/568489793.db2.gz LRUWJYYRGLBJJK-UHFFFAOYSA-N -1 3 367.474 4.234 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000605010201 568516887 /nfs/dbraw/zinc/51/68/87/568516887.db2.gz RLGJVNGFXQVWRV-GOSISDBHSA-N -1 3 354.454 4.200 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000243386124 1125510492 /nfs/dbraw/zinc/51/04/92/1125510492.db2.gz MJLNGICRDUUACI-UHFFFAOYSA-N -1 3 361.463 4.208 20 0 FIADHM CCC1([N-]S(=O)(=O)c2sc(C)cc2Br)CCCCC1 ZINC001211919453 1102618184 /nfs/dbraw/zinc/61/81/84/1102618184.db2.gz KXBRVTSXEFSDSX-UHFFFAOYSA-N -1 3 366.346 4.210 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(Cl)nc(Cl)c2)c(F)c1F ZINC000763540527 1125544822 /nfs/dbraw/zinc/54/48/22/1125544822.db2.gz WIFFKOSGAPELML-UHFFFAOYSA-N -1 3 363.122 4.261 20 0 FIADHM CCc1nc2c(s1)[C@H](N(C)Cc1cc(=O)oc3cc([O-])ccc13)CCC2 ZINC000182708493 1125601663 /nfs/dbraw/zinc/60/16/63/1125601663.db2.gz OWYTWSNCXAQOJA-MRXNPFEDSA-N -1 3 370.474 4.027 20 0 FIADHM COc1ccc(N[C@H](C)c2cc(C)c(C)cc2C)cc1[N-]S(C)(=O)=O ZINC000182730398 1125608270 /nfs/dbraw/zinc/60/82/70/1125608270.db2.gz MZKHPJUUTUFBJY-OAHLLOKOSA-N -1 3 362.495 4.165 20 0 FIADHM Cc1oc2ncnc([N-]c3nc(CC(=O)c4ccccc4)cs3)c2c1C ZINC000163113577 1125671795 /nfs/dbraw/zinc/67/17/95/1125671795.db2.gz IUZBZOAEEASAHX-UHFFFAOYSA-N -1 3 364.430 4.465 20 0 FIADHM CCCCn1ncc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1C ZINC000160169175 1079535694 /nfs/dbraw/zinc/53/56/94/1079535694.db2.gz JLJZPWZYKAVVHT-PKNBQFBNSA-N -1 3 353.875 4.058 20 0 FIADHM CCC(C)(C)OCc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000579735575 1079601830 /nfs/dbraw/zinc/60/18/30/1079601830.db2.gz PGTLFARCPOURME-UHFFFAOYSA-N -1 3 356.401 4.055 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1c(F)cc(C(F)(F)F)cc1F ZINC000579766930 1079640566 /nfs/dbraw/zinc/64/05/66/1079640566.db2.gz KZYYHIYEAIYODM-UHFFFAOYSA-N -1 3 367.277 4.048 20 0 FIADHM CC(C)(C)n1ncc(C(=O)Nc2cccc([O-])c2F)c1-c1ccccc1 ZINC000683136173 1079656081 /nfs/dbraw/zinc/65/60/81/1079656081.db2.gz FJTMZHLASXWTOD-UHFFFAOYSA-N -1 3 353.397 4.402 20 0 FIADHM CC[C@@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1OC ZINC000683170255 1079794279 /nfs/dbraw/zinc/79/42/79/1079794279.db2.gz GDYSKGVKQDVEQD-QRWLVFNGSA-N -1 3 357.450 4.096 20 0 FIADHM O=C([O-])c1cccc(CNCc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000683170604 1079796222 /nfs/dbraw/zinc/79/62/22/1079796222.db2.gz ITRWOJMBVLIIRM-UHFFFAOYSA-N -1 3 365.404 4.393 20 0 FIADHM O=C([N-]c1cccc(Cl)c1SC(F)F)c1cn(C2CCC2)nn1 ZINC000843541274 1079797950 /nfs/dbraw/zinc/79/79/50/1079797950.db2.gz ZMHONWGDGPFJBH-UHFFFAOYSA-N -1 3 358.801 4.224 20 0 FIADHM C[C@H]1C[C@H]1c1noc(CC2CCN(Cc3cccc([O-])c3Cl)CC2)n1 ZINC000651954109 1079952033 /nfs/dbraw/zinc/95/20/33/1079952033.db2.gz FJYCBEBLOYNFEI-SWLSCSKDSA-N -1 3 361.873 4.007 20 0 FIADHM Cn1cccc1[C@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646890764 1079999134 /nfs/dbraw/zinc/99/91/34/1079999134.db2.gz GOUZSFSEMGKHCT-MRXNPFEDSA-N -1 3 352.356 4.117 20 0 FIADHM Cc1ccc([O-])c(CN2C[C@H](C)O[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000430221846 1080017590 /nfs/dbraw/zinc/01/75/90/1080017590.db2.gz UMQYIKYOTMTWQT-SCLBCKFNSA-N -1 3 366.383 4.076 20 0 FIADHM CSc1ccncc1[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000683245568 1080150372 /nfs/dbraw/zinc/15/03/72/1080150372.db2.gz VSZCLOBQAVBZRL-UHFFFAOYSA-N -1 3 359.195 4.097 20 0 FIADHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2Br)C1 ZINC000232783067 1080357943 /nfs/dbraw/zinc/35/79/43/1080357943.db2.gz NFBJVLUGKBMJKM-OAHLLOKOSA-N -1 3 360.679 4.035 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180291805 1080476376 /nfs/dbraw/zinc/47/63/76/1080476376.db2.gz MHOALFUFIWGPEE-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000261470500 1081144418 /nfs/dbraw/zinc/14/44/18/1081144418.db2.gz VRNYJXMHAFEVTH-LLVKDONJSA-N -1 3 362.223 4.050 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1nccs1 ZINC000683628901 1081273407 /nfs/dbraw/zinc/27/34/07/1081273407.db2.gz RWHZSAAQZVQHAJ-UHFFFAOYSA-N -1 3 353.428 4.378 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)sc1C ZINC000683637702 1081285209 /nfs/dbraw/zinc/28/52/09/1081285209.db2.gz JAFRJBSVYYANRQ-CQSZACIVSA-N -1 3 370.503 4.332 20 0 FIADHM CC(C)Sc1ccccc1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000122171693 1081471547 /nfs/dbraw/zinc/47/15/47/1081471547.db2.gz CIZJPOPVJLAYKM-UHFFFAOYSA-N -1 3 356.476 4.353 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c([O-])c1 ZINC000115156758 1081484258 /nfs/dbraw/zinc/48/42/58/1081484258.db2.gz MIAUVLXGSUVUBU-UHFFFAOYSA-N -1 3 358.507 4.474 20 0 FIADHM O=C([O-])c1ccoc1CN1CCC(c2cccc(Br)c2)CC1 ZINC000580085893 1081579109 /nfs/dbraw/zinc/57/91/09/1081579109.db2.gz XQDJVTLQRUHHBS-UHFFFAOYSA-N -1 3 364.239 4.120 20 0 FIADHM COC(=O)c1cc(F)c(Nc2cccc([O-])c2Cl)c(Br)c1 ZINC001210854309 1081779091 /nfs/dbraw/zinc/77/90/91/1081779091.db2.gz OMNUAIVFHHASAK-UHFFFAOYSA-N -1 3 374.593 4.477 20 0 FIADHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(SC(F)(F)F)cc1 ZINC000064937649 1081964845 /nfs/dbraw/zinc/96/48/45/1081964845.db2.gz BVTIXDRKRUYWPB-UHFFFAOYSA-N -1 3 369.336 4.378 20 0 FIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c(C)c1 ZINC000471592128 1082014426 /nfs/dbraw/zinc/01/44/26/1082014426.db2.gz CEZGBTRGZUVENB-UHFFFAOYSA-N -1 3 367.442 4.122 20 0 FIADHM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000647130771 1082069992 /nfs/dbraw/zinc/06/99/92/1082069992.db2.gz CFAVQFTUIFIRQL-UHFFFAOYSA-N -1 3 373.833 4.076 20 0 FIADHM O=C([O-])C[C@@H]1CSCCN1[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000580777944 1082132380 /nfs/dbraw/zinc/13/23/80/1082132380.db2.gz AGKWWUOVXKWPFK-MJGOQNOKSA-N -1 3 361.894 4.322 20 0 FIADHM [O-]c1ccc(F)c(CNCc2ccc(Br)cc2Cl)c1F ZINC000510378942 1082438572 /nfs/dbraw/zinc/43/85/72/1082438572.db2.gz SNIMMGJALJATTJ-UHFFFAOYSA-N -1 3 362.601 4.376 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(CSC2CCCC2)c1 ZINC000160848321 1082448546 /nfs/dbraw/zinc/44/85/46/1082448546.db2.gz ORKYPFULODOFOL-KRWDZBQOSA-N -1 3 350.484 4.442 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(CSC2CCCC2)c1 ZINC000160848321 1082448553 /nfs/dbraw/zinc/44/85/53/1082448553.db2.gz ORKYPFULODOFOL-KRWDZBQOSA-N -1 3 350.484 4.442 20 0 FIADHM Cc1cccc2c(=O)c(C(=O)Nc3cccc4c3ccn4C(F)F)c[n-]c12 ZINC001648912113 1082569237 /nfs/dbraw/zinc/56/92/37/1082569237.db2.gz ATBNLMVYNSYQEO-UHFFFAOYSA-N -1 3 367.355 4.439 20 0 FIADHM O=C(Cc1cc(Cl)ccc1Br)Nc1cccc([O-])c1F ZINC000129195776 1082622528 /nfs/dbraw/zinc/62/25/28/1082622528.db2.gz SYIMUCKJQDCYCR-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl)C1CCCC1 ZINC000656626021 1082643087 /nfs/dbraw/zinc/64/30/87/1082643087.db2.gz KTKGGPWZQDXJFK-AWEZNQCLSA-N -1 3 367.845 4.225 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(Nc3ccccc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656762477 1082755453 /nfs/dbraw/zinc/75/54/53/1082755453.db2.gz BCCDGKAWOSNOGU-RCCFBDPRSA-N -1 3 371.506 4.352 20 0 FIADHM COc1cccc([C@]2(C)CCN(Cc3cc(C(=O)[O-])ccc3Cl)C2)c1 ZINC000656766989 1082759491 /nfs/dbraw/zinc/75/94/91/1082759491.db2.gz ZTBVAPFDHFORJG-HXUWFJFHSA-N -1 3 359.853 4.210 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)[C@H]2CCCC[C@@H]12 ZINC000656765840 1082759885 /nfs/dbraw/zinc/75/98/85/1082759885.db2.gz PJKHCTAAISTBPO-KSZLIROESA-N -1 3 374.481 4.415 20 0 FIADHM Cc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)cs2)o1 ZINC000656769176 1082760890 /nfs/dbraw/zinc/76/08/90/1082760890.db2.gz YSPSORCWIXMYEC-JYJNAYRXSA-N -1 3 360.479 4.177 20 0 FIADHM Cc1oc(-c2cccs2)nc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656769168 1082761003 /nfs/dbraw/zinc/76/10/03/1082761003.db2.gz YREXQTKQWXOCET-IJEWVQPXSA-N -1 3 360.479 4.177 20 0 FIADHM CC[C@@H](C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nc2ccccc2[nH]1 ZINC000581755301 1082869640 /nfs/dbraw/zinc/86/96/40/1082869640.db2.gz FRVLFFTUPGWGCT-PIGZYNQJSA-N -1 3 357.841 4.439 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000581861634 1082936912 /nfs/dbraw/zinc/93/69/12/1082936912.db2.gz SWBNKXRKIOFDLH-ZDUSSCGKSA-N -1 3 370.503 4.278 20 0 FIADHM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000581889581 1082977000 /nfs/dbraw/zinc/97/70/00/1082977000.db2.gz CBLAKIGIYNFCCT-IAGOWNOFSA-N -1 3 353.890 4.454 20 0 FIADHM Cc1nc(-c2ccc(CCNC(=O)c3cc([O-])ccc3Cl)cc2)cs1 ZINC000581913087 1083033347 /nfs/dbraw/zinc/03/33/47/1083033347.db2.gz PNNUBQNBFLUGNH-UHFFFAOYSA-N -1 3 372.877 4.450 20 0 FIADHM COCCN(Cc1cc(Br)cs1)Cc1cc([O-])cc(F)c1 ZINC000426374301 1083312802 /nfs/dbraw/zinc/31/28/02/1083312802.db2.gz WNHMYMURHQUXDH-UHFFFAOYSA-N -1 3 374.275 4.004 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)c1 ZINC000612132479 1083424048 /nfs/dbraw/zinc/42/40/48/1083424048.db2.gz PRCSKHHWXZEOOF-RDJZCZTQSA-N -1 3 361.507 4.258 20 0 FIADHM CCOc1ccc(C2=CCN(C(=O)c3cccc(CC)c3[O-])CC2)cc1 ZINC000535786857 1083660454 /nfs/dbraw/zinc/66/04/54/1083660454.db2.gz XUWZKHPDQGUZSM-UHFFFAOYSA-N -1 3 351.446 4.283 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)cc1[O-] ZINC000612442267 1083806740 /nfs/dbraw/zinc/80/67/40/1083806740.db2.gz PTTHJVSWODERCN-QGZVFWFLSA-N -1 3 364.401 4.103 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(c4ccccc4C)CCC3)cc2)n1 ZINC000472454689 1083963755 /nfs/dbraw/zinc/96/37/55/1083963755.db2.gz PDHQXXQJSLANQB-UHFFFAOYSA-N -1 3 373.456 4.114 20 0 FIADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(Cl)c(Cl)c1 ZINC000511360650 1083966045 /nfs/dbraw/zinc/96/60/45/1083966045.db2.gz ORYSLEDUSSCPHC-UHFFFAOYSA-N -1 3 362.200 4.004 20 0 FIADHM O=c1nc(COc2cccc(C(F)(F)F)c2)[n-]c2sc3c(c21)CCC3 ZINC000612841279 1084122304 /nfs/dbraw/zinc/12/23/04/1084122304.db2.gz XXZZZRUVTKYYOT-UHFFFAOYSA-N -1 3 366.364 4.483 20 0 FIADHM CN(Cc1ccccc1NCc1cc([O-])cc(F)c1)C(=O)c1cccs1 ZINC000472063083 1084220538 /nfs/dbraw/zinc/22/05/38/1084220538.db2.gz MEZQWWVMOZKJQI-UHFFFAOYSA-N -1 3 370.449 4.477 20 0 FIADHM [O-]c1cc(F)cc(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC000472072337 1084238816 /nfs/dbraw/zinc/23/88/16/1084238816.db2.gz DTJCOJSSCTYKPW-INIZCTEOSA-N -1 3 351.805 4.355 20 0 FIADHM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cc([O-])ccc1Cl ZINC000511429027 1084358066 /nfs/dbraw/zinc/35/80/66/1084358066.db2.gz ZJYIJWIUQQKYPI-XHDPSFHLSA-N -1 3 366.642 4.094 20 0 FIADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000071956630 1084394408 /nfs/dbraw/zinc/39/44/08/1084394408.db2.gz XSOCXYNXKXMXIJ-MFKMUULPSA-N -1 3 364.239 4.442 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)c([O-])c1 ZINC000048678882 1084449124 /nfs/dbraw/zinc/44/91/24/1084449124.db2.gz VDTOMOJYJIIJJD-UHFFFAOYSA-N -1 3 353.462 4.337 20 0 FIADHM CSc1ccc(OCCN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000582074267 1084567407 /nfs/dbraw/zinc/56/74/07/1084567407.db2.gz MFHACINKJWCXFU-OALUTQOASA-N -1 3 357.475 4.078 20 0 FIADHM COC(=O)c1scc(-c2ccc(C)cc2)c1[N-]C(=O)c1nccs1 ZINC000589040876 1084800939 /nfs/dbraw/zinc/80/09/39/1084800939.db2.gz ZVEMVGQMNMUKRW-UHFFFAOYSA-N -1 3 358.444 4.219 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1 ZINC000109827491 1084870801 /nfs/dbraw/zinc/87/08/01/1084870801.db2.gz OMLXALRMJFLFCG-UHFFFAOYSA-N -1 3 353.462 4.255 20 0 FIADHM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c(CN(C)C)c1 ZINC000684873634 1085009428 /nfs/dbraw/zinc/00/94/28/1085009428.db2.gz ASFAPJPQZAKEBX-UHFFFAOYSA-N -1 3 352.356 4.033 20 0 FIADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000277652659 1085072117 /nfs/dbraw/zinc/07/21/17/1085072117.db2.gz KYQGYLOVMGBONL-SNVBAGLBSA-N -1 3 364.776 4.402 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCCC2(CCOCC2)C1 ZINC000582551822 1085119306 /nfs/dbraw/zinc/11/93/06/1085119306.db2.gz QJTXDKPKAYRJSR-HNNXBMFYSA-N -1 3 358.265 4.012 20 0 FIADHM CN(CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C(=O)[O-])co1 ZINC000582611751 1085242230 /nfs/dbraw/zinc/24/22/30/1085242230.db2.gz JUOLSJVPGIXANM-UHFFFAOYSA-N -1 3 367.449 4.213 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000660749974 1085247038 /nfs/dbraw/zinc/24/70/38/1085247038.db2.gz VICYPAXOWQDBEA-UHFFFAOYSA-N -1 3 359.779 4.188 20 0 FIADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc(Cl)ncc1Cl ZINC000588537380 1085283516 /nfs/dbraw/zinc/28/35/16/1085283516.db2.gz KDAKQYMICUFBFH-ARJAWSKDSA-N -1 3 367.217 4.256 20 0 FIADHM C[C@@H](CN(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1nccs1 ZINC000582670932 1085354964 /nfs/dbraw/zinc/35/49/64/1085354964.db2.gz BXSALTDHHLRQBC-ZANVPECISA-N -1 3 359.278 4.311 20 0 FIADHM CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC001137582710 1085452930 /nfs/dbraw/zinc/45/29/30/1085452930.db2.gz XXIAYSHVPALZLG-IBGZPJMESA-N -1 3 368.449 4.047 20 0 FIADHM CC1(C)C[C@@H](SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CO1 ZINC000596326713 1085773088 /nfs/dbraw/zinc/77/30/88/1085773088.db2.gz ZYKSTDGPAKASEQ-SNVBAGLBSA-N -1 3 362.476 4.458 20 0 FIADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000473150311 1085845421 /nfs/dbraw/zinc/84/54/21/1085845421.db2.gz XDCILUKDOAZERG-KRWDZBQOSA-N -1 3 355.331 4.124 20 0 FIADHM COc1ccc(C2CCN(C(=O)c3cc(SC)ccc3[O-])CC2)cc1 ZINC000611729104 1085852577 /nfs/dbraw/zinc/85/25/77/1085852577.db2.gz JLDNOGXXCOEMEG-UHFFFAOYSA-N -1 3 357.475 4.143 20 0 FIADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000582987372 1085990147 /nfs/dbraw/zinc/99/01/47/1085990147.db2.gz JOPGKKTULKMWEL-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([O-])c(F)c2)cc1 ZINC000535920480 1086113241 /nfs/dbraw/zinc/11/32/41/1086113241.db2.gz SQSXARWSIOYQKU-FQEVSTJZSA-N -1 3 364.376 4.311 20 0 FIADHM CC(C)c1ccc(-c2nc(CNC3(CC(=O)[O-])CCOCC3)cs2)cc1 ZINC000662212018 1086331728 /nfs/dbraw/zinc/33/17/28/1086331728.db2.gz JHEJOLMLCUZAJU-UHFFFAOYSA-N -1 3 374.506 4.047 20 0 FIADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1F ZINC000663262973 1086346418 /nfs/dbraw/zinc/34/64/18/1086346418.db2.gz WKJQXQUNRSNPOQ-INIZCTEOSA-N -1 3 371.330 4.159 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1 ZINC000150803711 1086352419 /nfs/dbraw/zinc/35/24/19/1086352419.db2.gz WRRUVKGZDRZHPC-UHFFFAOYSA-N -1 3 356.447 4.322 20 0 FIADHM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000557198521 1086523989 /nfs/dbraw/zinc/52/39/89/1086523989.db2.gz OZOOGYYBEZFBCL-GFCCVEGCSA-N -1 3 357.759 4.197 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000536104058 1086916008 /nfs/dbraw/zinc/91/60/08/1086916008.db2.gz UYIMKKSMAJJMDR-STQMWFEESA-N -1 3 350.187 4.036 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1ncc(-c2ccccc2)o1 ZINC000151575985 1087157654 /nfs/dbraw/zinc/15/76/54/1087157654.db2.gz ZSGFPLWMZNMCSW-LBPRGKRZSA-N -1 3 362.838 4.035 20 0 FIADHM Cc1c([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)cnn1C1CCCC1 ZINC000588595989 1087278749 /nfs/dbraw/zinc/27/87/49/1087278749.db2.gz VZGKQRXNYRJDJR-KTKRTIGZSA-N -1 3 365.886 4.373 20 0 FIADHM CCc1cccc(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1[O-] ZINC000081777314 1087330770 /nfs/dbraw/zinc/33/07/70/1087330770.db2.gz AVPRRCISDGPUGI-UHFFFAOYSA-N -1 3 350.374 4.052 20 0 FIADHM Cc1cc(Cl)ccc1OCCCNC(=O)c1cc([O-])ccc1Cl ZINC000584440012 1087413547 /nfs/dbraw/zinc/41/35/47/1087413547.db2.gz XYSHZOUPBWOFGK-UHFFFAOYSA-N -1 3 354.233 4.206 20 0 FIADHM COC1CCC(N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000094151226 1087465668 /nfs/dbraw/zinc/46/56/68/1087465668.db2.gz YMNLLZPGGZNPJQ-UHFFFAOYSA-N -1 3 353.462 4.013 20 0 FIADHM Cc1ccc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c([O-])c1 ZINC000171226833 1087520007 /nfs/dbraw/zinc/52/00/07/1087520007.db2.gz ZCUCCTAZAPXQCW-UHFFFAOYSA-N -1 3 364.420 4.120 20 0 FIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@](C)(C(F)(F)F)O1 ZINC000505730253 1087586382 /nfs/dbraw/zinc/58/63/82/1087586382.db2.gz VXDMLGBDIXVTNG-GOSISDBHSA-N -1 3 367.367 4.117 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000129244901 1087601026 /nfs/dbraw/zinc/60/10/26/1087601026.db2.gz CZUYRRHJTJPOLA-UHFFFAOYSA-N -1 3 374.375 4.031 20 0 FIADHM Cc1c([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cnn1-c1ccc(F)cc1 ZINC000685596113 1087637857 /nfs/dbraw/zinc/63/78/57/1087637857.db2.gz FKJLRDYAWGMAFP-NSHDSACASA-N -1 3 373.815 4.170 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000685604526 1087640272 /nfs/dbraw/zinc/64/02/72/1087640272.db2.gz CGJRWNBTYVBSML-LBPRGKRZSA-N -1 3 356.809 4.207 20 0 FIADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000424255457 1087873798 /nfs/dbraw/zinc/87/37/98/1087873798.db2.gz HXVUMWKKDOGPQX-SFHVURJKSA-N -1 3 366.461 4.011 20 0 FIADHM COc1cc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc(OC)c1[O-] ZINC000186755826 1087980921 /nfs/dbraw/zinc/98/09/21/1087980921.db2.gz LQEFSZVFOJWHCV-SFHVURJKSA-N -1 3 367.445 4.092 20 0 FIADHM CCC(=O)c1ccc(OCCCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000187824983 1088336400 /nfs/dbraw/zinc/33/64/00/1088336400.db2.gz SHKIKGHQKNDGEP-UHFFFAOYSA-N -1 3 359.397 4.312 20 0 FIADHM CCSc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000505306795 1088339847 /nfs/dbraw/zinc/33/98/47/1088339847.db2.gz XHVCNXBXGPAOGC-UHFFFAOYSA-N -1 3 351.493 4.225 20 0 FIADHM Cc1cc(C)c(/C=C/C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1C ZINC000782862706 1088351615 /nfs/dbraw/zinc/35/16/15/1088351615.db2.gz QMMINDUTNCAXDK-CMDGGOBGSA-N -1 3 364.401 4.124 20 0 FIADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c1 ZINC000031721645 1088695717 /nfs/dbraw/zinc/69/57/17/1088695717.db2.gz PWUAEAQIHXYZFX-UHFFFAOYSA-N -1 3 369.417 4.496 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(-n3ccnc3)cc2)no1)c1ccccc1Cl ZINC001211646934 1088748285 /nfs/dbraw/zinc/74/82/85/1088748285.db2.gz DGQNYOSHSDPZFA-UHFFFAOYSA-N -1 3 364.792 4.001 20 0 FIADHM Cc1cc([C@H](C)N2CCC3(CCc4ccccc4O3)CC2)oc1C(=O)[O-] ZINC000659801958 1088887720 /nfs/dbraw/zinc/88/77/20/1088887720.db2.gz NOBNZYDNAUWVHY-HNNXBMFYSA-N -1 3 355.434 4.207 20 0 FIADHM O=C(Cc1ccncc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000182143743 1088900255 /nfs/dbraw/zinc/90/02/55/1088900255.db2.gz FAVTYMKKTXUNHL-UHFFFAOYSA-N -1 3 361.426 4.245 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000549186194 1089171013 /nfs/dbraw/zinc/17/10/13/1089171013.db2.gz IQTNKNJJPFYYJG-SJKOYZFVSA-N -1 3 369.362 4.141 20 0 FIADHM CC(C)CCn1ncc([N-]S(=O)(=O)CCc2cccs2)c1C(C)C ZINC000515183508 1089866477 /nfs/dbraw/zinc/86/64/77/1089866477.db2.gz GILHZYBLOJBTEC-UHFFFAOYSA-N -1 3 369.556 4.099 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3sccc3-c3ccccc3)n[n-]2)o1 ZINC000181878853 1089966443 /nfs/dbraw/zinc/96/64/43/1089966443.db2.gz LNLKHRUBBYTHFB-UHFFFAOYSA-N -1 3 350.403 4.354 20 0 FIADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000460820260 1089989123 /nfs/dbraw/zinc/98/91/23/1089989123.db2.gz MYEUDBUNWHOMKM-UHFFFAOYSA-N -1 3 373.453 4.110 20 0 FIADHM CCc1noc(C)c1[N-]C(=O)c1cc(Cl)cc(Br)c1F ZINC000435913547 1090013697 /nfs/dbraw/zinc/01/36/97/1090013697.db2.gz BGDHJRBCESJJMO-UHFFFAOYSA-N -1 3 361.598 4.353 20 0 FIADHM CCCC(=O)Nc1ccc(Cl)c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417032761 1090636831 /nfs/dbraw/zinc/63/68/31/1090636831.db2.gz PURNPZTZAYIXIU-UHFFFAOYSA-N -1 3 360.845 4.064 20 0 FIADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1c(F)cccc1OC(F)(F)F ZINC000417540627 1090921927 /nfs/dbraw/zinc/92/19/27/1090921927.db2.gz XEBCRWUGWAQMAL-WDEREUQCSA-N -1 3 351.340 4.093 20 0 FIADHM CC(C)(C)c1cnc(CNCCC[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000417556104 1090924555 /nfs/dbraw/zinc/92/45/55/1090924555.db2.gz NIHRKONKELAOMY-INIZCTEOSA-N -1 3 360.523 4.254 20 0 FIADHM Cc1cc(C)cc(C[C@H](NCc2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000417564612 1090928417 /nfs/dbraw/zinc/92/84/17/1090928417.db2.gz FVRFHHBJZVXBRR-ZDUSSCGKSA-N -1 3 358.290 4.457 20 0 FIADHM C[C@@H](CNCc1c(Cl)cccc1OCc1ccccc1Cl)C(=O)[O-] ZINC000417593497 1090935306 /nfs/dbraw/zinc/93/53/06/1090935306.db2.gz ZEHCHUIFYVWWQN-LBPRGKRZSA-N -1 3 368.260 4.383 20 0 FIADHM O=C([O-])CSCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000417621478 1090941574 /nfs/dbraw/zinc/94/15/74/1090941574.db2.gz NBIIKUYSFLOTPO-UHFFFAOYSA-N -1 3 360.262 4.161 20 0 FIADHM O=C([O-])[C@H]1C=C[C@@H](NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000417629379 1090944921 /nfs/dbraw/zinc/94/49/21/1090944921.db2.gz XBYIFFTXNCLTKI-GXTWGEPZSA-N -1 3 351.324 4.084 20 0 FIADHM Cc1ccc(-c2nc(CNCC[C@@H](CC(=O)[O-])C(F)(F)F)cs2)cc1 ZINC000417645947 1090948559 /nfs/dbraw/zinc/94/85/59/1090948559.db2.gz DPNORBXYLOGOJF-ZDUSSCGKSA-N -1 3 372.412 4.251 20 0 FIADHM O=C([O-])C[C@@H](CCNCc1cc(Cl)sc1Cl)C(F)(F)F ZINC000417665166 1090957786 /nfs/dbraw/zinc/95/77/86/1090957786.db2.gz ZYFKEGOFEVIZAL-SSDOTTSWSA-N -1 3 350.189 4.188 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)c3cccc(C)c3)c2)n1 ZINC000150726361 1091030785 /nfs/dbraw/zinc/03/07/85/1091030785.db2.gz VTZASAYMWAFAAL-OAHLLOKOSA-N -1 3 361.445 4.050 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(F)(F)F ZINC000500329960 1091304229 /nfs/dbraw/zinc/30/42/29/1091304229.db2.gz OCNQUATXTHGCTG-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2o1 ZINC000147112949 1091908503 /nfs/dbraw/zinc/90/85/03/1091908503.db2.gz VVWRFYGTNOGMOM-HNNXBMFYSA-N -1 3 362.385 4.101 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CCCC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000512235582 1091944738 /nfs/dbraw/zinc/94/47/38/1091944738.db2.gz YAJKWSKVQZCSJN-GDBMZVCRSA-N -1 3 368.481 4.496 20 0 FIADHM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1cccc(Cl)c1Cl ZINC000606910422 1091991282 /nfs/dbraw/zinc/99/12/82/1091991282.db2.gz NWJZCWSNUSPDLH-UHFFFAOYSA-N -1 3 360.237 4.100 20 0 FIADHM CC[C@@H](CN(CC)C(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000187419774 1092080598 /nfs/dbraw/zinc/08/05/98/1092080598.db2.gz WBHHEMIQRPMPFD-HNNXBMFYSA-N -1 3 357.450 4.065 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1F ZINC000512359926 1092155513 /nfs/dbraw/zinc/15/55/13/1092155513.db2.gz OYCSDGRFFFWWFW-MRXNPFEDSA-N -1 3 373.321 4.263 20 0 FIADHM O=c1ccnc(C(=Cc2nccn2-c2ccccc2)Cc2ccccc2)[n-]1 ZINC000432708678 1092158392 /nfs/dbraw/zinc/15/83/92/1092158392.db2.gz NKBXTHJQLIEQQW-FBMGVBCBSA-N -1 3 354.413 4.151 20 0 FIADHM Cc1nc2ccccc2n1CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000500562357 1092237170 /nfs/dbraw/zinc/23/71/70/1092237170.db2.gz LLZQKYVDWQOPOI-UHFFFAOYSA-N -1 3 363.339 4.098 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2ccccc2C)[nH][n-]1 ZINC000508341112 1092256414 /nfs/dbraw/zinc/25/64/14/1092256414.db2.gz FZQLQGJWQJAFQC-UHFFFAOYSA-N -1 3 369.852 4.040 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(C)C ZINC000432761610 1092287615 /nfs/dbraw/zinc/28/76/15/1092287615.db2.gz WFTQGFQIPQWKEO-UHFFFAOYSA-N -1 3 358.463 4.409 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(C)c1C ZINC000442226770 1092500990 /nfs/dbraw/zinc/50/09/90/1092500990.db2.gz BQJDJUIDSFXQFI-UHFFFAOYSA-N -1 3 361.797 4.044 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccc2ncsc2c1 ZINC000442239447 1092516668 /nfs/dbraw/zinc/51/66/68/1092516668.db2.gz KXFJIFXZFLPPME-UHFFFAOYSA-N -1 3 360.794 4.029 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(C)c1 ZINC000442234978 1092527936 /nfs/dbraw/zinc/52/79/36/1092527936.db2.gz IMGIGSKHEXZUGA-UHFFFAOYSA-N -1 3 361.797 4.126 20 0 FIADHM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cc([O-])ccc1Cl ZINC000432881023 1092678886 /nfs/dbraw/zinc/67/88/86/1092678886.db2.gz ZQYLPAJMHKKMEU-UHFFFAOYSA-N -1 3 372.852 4.360 20 0 FIADHM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000442976573 1092883085 /nfs/dbraw/zinc/88/30/85/1092883085.db2.gz MHIDKDMJEMWYDU-FQEVSTJZSA-N -1 3 360.457 4.362 20 0 FIADHM Cc1nc(C)c(CCC(=O)N(CC(C)C)c2cccc(Cl)c2)c(=O)[n-]1 ZINC000411073181 1093077867 /nfs/dbraw/zinc/07/78/67/1093077867.db2.gz KLVBPYBIFHCXHE-UHFFFAOYSA-N -1 3 361.873 4.074 20 0 FIADHM C[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000443396769 1093101019 /nfs/dbraw/zinc/10/10/19/1093101019.db2.gz FLDBLYNVTQOZML-LBPRGKRZSA-N -1 3 374.362 4.080 20 0 FIADHM CC(C)(C)c1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC000512710527 1093170216 /nfs/dbraw/zinc/17/02/16/1093170216.db2.gz URRZWRNTEMWGAZ-UHFFFAOYSA-N -1 3 371.462 4.073 20 0 FIADHM C[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000411480280 1093334534 /nfs/dbraw/zinc/33/45/34/1093334534.db2.gz XIZOVEMRZVGDAZ-SECBINFHSA-N -1 3 369.368 4.146 20 0 FIADHM Cc1nnsc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000191506699 1093424241 /nfs/dbraw/zinc/42/42/41/1093424241.db2.gz PEKDOBVSCPDVRX-UHFFFAOYSA-N -1 3 368.443 4.081 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3ccccc3OCC(F)(F)F)n[n-]2)o1 ZINC000727641669 1093682619 /nfs/dbraw/zinc/68/26/19/1093682619.db2.gz HWTOPAUDBIXSAX-UHFFFAOYSA-N -1 3 366.295 4.138 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3ccccc3OCC(F)(F)F)[n-]n2)o1 ZINC000727641669 1093682622 /nfs/dbraw/zinc/68/26/22/1093682622.db2.gz HWTOPAUDBIXSAX-UHFFFAOYSA-N -1 3 366.295 4.138 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000024577532 1093732754 /nfs/dbraw/zinc/73/27/54/1093732754.db2.gz YBADVQYIUNBDNP-OAHLLOKOSA-N -1 3 355.463 4.187 20 0 FIADHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474440540 1093786780 /nfs/dbraw/zinc/78/67/80/1093786780.db2.gz YLMMGPLOBLFZJZ-UHFFFAOYSA-N -1 3 362.788 4.245 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)o1 ZINC000509901949 1093788580 /nfs/dbraw/zinc/78/85/80/1093788580.db2.gz SAVRDJFCBLSBPB-UHFFFAOYSA-N -1 3 360.414 4.154 20 0 FIADHM Cc1nocc1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001211828891 1093877837 /nfs/dbraw/zinc/87/78/37/1093877837.db2.gz GRUFNWAZJSXDOQ-JKSUJKDBSA-N -1 3 368.886 4.031 20 0 FIADHM CC(C)c1ccc([C@@H](C[N-]C(=O)C(F)(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000728983557 1093914376 /nfs/dbraw/zinc/91/43/76/1093914376.db2.gz LTKGRFRVEMPOOY-CQSZACIVSA-N -1 3 374.403 4.054 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cc1F ZINC000433811511 1094110650 /nfs/dbraw/zinc/11/06/50/1094110650.db2.gz JWKCAOURANYQKT-UHFFFAOYSA-N -1 3 359.426 4.079 20 0 FIADHM CCCOc1c(Cl)cc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1OCC ZINC000263040846 1094198757 /nfs/dbraw/zinc/19/87/57/1094198757.db2.gz ITOHLXUIHLMVPC-HIFRSBDPSA-N -1 3 369.889 4.070 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC001141869227 1094343543 /nfs/dbraw/zinc/34/35/43/1094343543.db2.gz YQWISPRYOMFDES-UHFFFAOYSA-N -1 3 367.445 4.268 20 0 FIADHM CO[C@H](C)c1nc(CSCc2cc(=O)[n-]c(-c3ccccc3)n2)cs1 ZINC000419418556 1094410764 /nfs/dbraw/zinc/41/07/64/1094410764.db2.gz LJHVUHMWWZXDBQ-GFCCVEGCSA-N -1 3 373.503 4.447 20 0 FIADHM CC(C)c1ccccc1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419599492 1094528019 /nfs/dbraw/zinc/52/80/19/1094528019.db2.gz FMHHRWLGHHPKHR-UHFFFAOYSA-N -1 3 357.479 4.055 20 0 FIADHM CC(C)c1ccc(NC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000419610913 1094536059 /nfs/dbraw/zinc/53/60/59/1094536059.db2.gz YNYOADFLCNPGRX-UHFFFAOYSA-N -1 3 357.479 4.055 20 0 FIADHM O=C([O-])C[C@@H](NCc1cccc(C2CC2)c1)c1cnn(-c2ccccc2)c1 ZINC000421817608 1095952697 /nfs/dbraw/zinc/95/26/97/1095952697.db2.gz VVOGETCPHCPSGW-OAQYLSRUSA-N -1 3 361.445 4.055 20 0 FIADHM CCOc1c(Cl)cc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1Cl ZINC000503121478 1096074070 /nfs/dbraw/zinc/07/40/70/1096074070.db2.gz ORGKXYGTBRPRNE-UHFFFAOYSA-N -1 3 369.183 4.055 20 0 FIADHM CC(C)c1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cn1 ZINC000504483050 1096787782 /nfs/dbraw/zinc/78/77/82/1096787782.db2.gz UXGJKPLYCBMWTQ-UHFFFAOYSA-N -1 3 362.202 4.010 20 0 FIADHM O=C(CCc1cc(Br)cs1)Nc1ccc(Cl)cc1[O-] ZINC000533159517 1098812702 /nfs/dbraw/zinc/81/27/02/1098812702.db2.gz GQAMEYHCVJZWCW-UHFFFAOYSA-N -1 3 360.660 4.441 20 0 FIADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000515709536 1098852383 /nfs/dbraw/zinc/85/23/83/1098852383.db2.gz PRWPADBIMXLFAJ-BXKDBHETSA-N -1 3 360.262 4.188 20 0 FIADHM C[C@H]1c2c(F)cccc2CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000533427565 1099049312 /nfs/dbraw/zinc/04/93/12/1099049312.db2.gz WCRSWRSXJPRTNF-LBPRGKRZSA-N -1 3 363.392 4.340 20 0 FIADHM CCC(CC)[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1cccs1 ZINC000436531991 1099085812 /nfs/dbraw/zinc/08/58/12/1099085812.db2.gz JDXHGYGWHPPYNL-QGZVFWFLSA-N -1 3 363.479 4.378 20 0 FIADHM CCN(CC(F)(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436537007 1099103098 /nfs/dbraw/zinc/10/30/98/1099103098.db2.gz RDPFHJHRNALRPR-UHFFFAOYSA-N -1 3 351.368 4.202 20 0 FIADHM CCCOc1ccc(CN(CCC)C(=O)c2ccccc2[O-])cc1OC ZINC000436562858 1099115137 /nfs/dbraw/zinc/11/51/37/1099115137.db2.gz BTAKDYIOXHDRTR-UHFFFAOYSA-N -1 3 357.450 4.242 20 0 FIADHM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000436560689 1099115243 /nfs/dbraw/zinc/11/52/43/1099115243.db2.gz GPYHNENTGNJILQ-AWEZNQCLSA-N -1 3 359.853 4.149 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1[O-] ZINC000436574742 1099123143 /nfs/dbraw/zinc/12/31/43/1099123143.db2.gz MCYRVWLAEUYFHB-UHFFFAOYSA-N -1 3 352.365 4.066 20 0 FIADHM CC(=O)Nc1ccc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])cc1 ZINC000436594964 1099125568 /nfs/dbraw/zinc/12/55/68/1099125568.db2.gz JQNVFQFVMOQQGU-UHFFFAOYSA-N -1 3 374.440 4.388 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)c([O-])c1 ZINC000436584776 1099133673 /nfs/dbraw/zinc/13/36/73/1099133673.db2.gz QHSHYJDPXYBOHB-QFIPXVFZSA-N -1 3 351.446 4.177 20 0 FIADHM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436604408 1099140322 /nfs/dbraw/zinc/14/03/22/1099140322.db2.gz CKXZBUKKAJZGEP-PXNSSMCTSA-N -1 3 367.489 4.139 20 0 FIADHM O=C(c1ccccc1[O-])N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000436626884 1099154417 /nfs/dbraw/zinc/15/44/17/1099154417.db2.gz QQXYWLHMJWHYIU-KRWDZBQOSA-N -1 3 353.315 4.122 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1[O-] ZINC000436655508 1099179057 /nfs/dbraw/zinc/17/90/57/1099179057.db2.gz IWQVTOGPQNYJDS-CQSZACIVSA-N -1 3 360.413 4.148 20 0 FIADHM CC(C)(CCCc1ccccc1)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000505857768 1099207396 /nfs/dbraw/zinc/20/73/96/1099207396.db2.gz VKGUAUHAEWTKRK-UHFFFAOYSA-N -1 3 362.473 4.307 20 0 FIADHM COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000436708590 1099226370 /nfs/dbraw/zinc/22/63/70/1099226370.db2.gz SGAWVJKUMSRNCS-DFQSSKMNSA-N -1 3 351.446 4.199 20 0 FIADHM COc1cccc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1[O-] ZINC000436701011 1099235067 /nfs/dbraw/zinc/23/50/67/1099235067.db2.gz YMAKILHKGHICDA-UHFFFAOYSA-N -1 3 350.346 4.200 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000533654076 1099260172 /nfs/dbraw/zinc/26/01/72/1099260172.db2.gz OMCUAQBUBKDFRO-OAQYLSRUSA-N -1 3 374.440 4.064 20 0 FIADHM CC(C)[C@@]1(CO)CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436732999 1099269835 /nfs/dbraw/zinc/26/98/35/1099269835.db2.gz VQWFTFMYTRRICK-QFIPXVFZSA-N -1 3 369.461 4.055 20 0 FIADHM CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(Cl)s1 ZINC000436785101 1099314964 /nfs/dbraw/zinc/31/49/64/1099314964.db2.gz ZVJJKVBWRGSHPJ-JTQLQIEISA-N -1 3 355.843 4.005 20 0 FIADHM C[C@@]12CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])C[C@@H]1C2(F)F ZINC000436785869 1099316291 /nfs/dbraw/zinc/31/62/91/1099316291.db2.gz HAKZRVMEIQRUSY-PKOBYXMFSA-N -1 3 359.372 4.302 20 0 FIADHM CCc1ccc([C@@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C(C)C)cc1 ZINC000436798086 1099328665 /nfs/dbraw/zinc/32/86/65/1099328665.db2.gz QZMFZXMMTCOWBX-IBGZPJMESA-N -1 3 357.450 4.099 20 0 FIADHM CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436804376 1099333144 /nfs/dbraw/zinc/33/31/44/1099333144.db2.gz AOFSBNXLJLEWPO-UHFFFAOYSA-N -1 3 371.824 4.272 20 0 FIADHM COC[C@@H]1CCCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436819924 1099337610 /nfs/dbraw/zinc/33/76/10/1099337610.db2.gz ZVBVJUKPISFOGG-MRXNPFEDSA-N -1 3 355.434 4.073 20 0 FIADHM CC1(c2nc3ccccc3s2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436836854 1099346737 /nfs/dbraw/zinc/34/67/37/1099346737.db2.gz FSEATUUAFVKQHV-UHFFFAOYSA-N -1 3 352.459 4.196 20 0 FIADHM COc1ccc(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c([O-])c1 ZINC000436848650 1099366913 /nfs/dbraw/zinc/36/69/13/1099366913.db2.gz WNOMGFFDWJOQJJ-OAHLLOKOSA-N -1 3 363.866 4.061 20 0 FIADHM CC(C)(C)OC(=O)NCc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212010917 1099374589 /nfs/dbraw/zinc/37/45/89/1099374589.db2.gz HSKHHGFZVQHFAU-UHFFFAOYSA-N -1 3 350.365 4.439 20 0 FIADHM [O-]c1ccc(Nc2ccc3nccnc3c2Br)c(F)c1F ZINC001212009435 1099374913 /nfs/dbraw/zinc/37/49/13/1099374913.db2.gz NWTIVWMVJVINNQ-UHFFFAOYSA-N -1 3 352.138 4.120 20 0 FIADHM CCOC(=O)C(C)(C)Oc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212016236 1099383697 /nfs/dbraw/zinc/38/36/97/1099383697.db2.gz FZTFIRCEXGGIDB-UHFFFAOYSA-N -1 3 351.349 4.135 20 0 FIADHM Cc1ccc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)c([O-])c1 ZINC000436893553 1099391369 /nfs/dbraw/zinc/39/13/69/1099391369.db2.gz NXUHEHJKFCMHDV-UHFFFAOYSA-N -1 3 361.357 4.263 20 0 FIADHM Cc1ccnc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)n1 ZINC000436877989 1099394289 /nfs/dbraw/zinc/39/42/89/1099394289.db2.gz AQCYKSJVHSJAPY-UHFFFAOYSA-N -1 3 362.414 4.020 20 0 FIADHM COc1cccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)c1[O-] ZINC000436886276 1099402710 /nfs/dbraw/zinc/40/27/10/1099402710.db2.gz GUDLGBCXWZZEOH-UHFFFAOYSA-N -1 3 352.268 4.016 20 0 FIADHM COc1cccc(-c2nc(Cc3nc4cc(Cl)ccc4s3)no2)c1[O-] ZINC000436886648 1099404139 /nfs/dbraw/zinc/40/41/39/1099404139.db2.gz HPPROMPCUNOVCJ-UHFFFAOYSA-N -1 3 373.821 4.305 20 0 FIADHM CCc1ccc(-c2nc([C@@](C)(CC)NC(=O)c3ccccc3)no2)c([O-])c1 ZINC000436889344 1099405783 /nfs/dbraw/zinc/40/57/83/1099405783.db2.gz XUPBAMXEFTUVHD-OAQYLSRUSA-N -1 3 365.433 4.060 20 0 FIADHM Cc1cn(-c2ccccc2)nc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000436909262 1099416942 /nfs/dbraw/zinc/41/69/42/1099416942.db2.gz LWOOORZLEJMEAO-UHFFFAOYSA-N -1 3 361.323 4.157 20 0 FIADHM CCOCc1ccccc1-c1noc(-c2ccc3c(c2[O-])OC(C)(C)C3)n1 ZINC000436910622 1099418624 /nfs/dbraw/zinc/41/86/24/1099418624.db2.gz QJVNFLRFUHQDGG-UHFFFAOYSA-N -1 3 366.417 4.359 20 0 FIADHM CN(C)c1ccc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cn1 ZINC000436916552 1099433103 /nfs/dbraw/zinc/43/31/03/1099433103.db2.gz UMXPCYYXQZJEQY-UHFFFAOYSA-N -1 3 372.428 4.161 20 0 FIADHM CCOc1cc(Cc2noc(-c3ccccc3[O-])n2)ccc1OC(F)F ZINC000436918395 1099434718 /nfs/dbraw/zinc/43/47/18/1099434718.db2.gz HQKNRWCBKZKICJ-UHFFFAOYSA-N -1 3 362.332 4.033 20 0 FIADHM O=C(Nc1nc(-c2ccccn2)cs1)c1cc2c(cc1[O-])CCCC2 ZINC000436950227 1099444676 /nfs/dbraw/zinc/44/46/76/1099444676.db2.gz OJVNBCRQZBOTIX-UHFFFAOYSA-N -1 3 351.431 4.042 20 0 FIADHM O=C1C[C@@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CN1c1ccccc1 ZINC000436933485 1099447068 /nfs/dbraw/zinc/44/70/68/1099447068.db2.gz UGWHMLNGBSLRMR-MRXNPFEDSA-N -1 3 371.396 4.116 20 0 FIADHM Cc1nc(-c2cccc(-c3noc(-c4ccc(C(C)C)cc4[O-])n3)c2)n[nH]1 ZINC000436949234 1099460662 /nfs/dbraw/zinc/46/06/62/1099460662.db2.gz WFCTYHKJKNQUKI-UHFFFAOYSA-N -1 3 361.405 4.326 20 0 FIADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000436950540 1099467465 /nfs/dbraw/zinc/46/74/65/1099467465.db2.gz NBBWDIXQUYUCGI-UHFFFAOYSA-N -1 3 358.825 4.135 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCc2cccc(O)c21 ZINC000436951987 1099467731 /nfs/dbraw/zinc/46/77/31/1099467731.db2.gz UBWXDUMPRUFRIT-UHFFFAOYSA-N -1 3 361.397 4.483 20 0 FIADHM CC1(C)Cc2ccc(C(=O)Nc3ccc(-c4ncco4)cc3)c([O-])c2O1 ZINC000436959511 1099476011 /nfs/dbraw/zinc/47/60/11/1099476011.db2.gz AEPWWPKOHRCZNY-UHFFFAOYSA-N -1 3 350.374 4.013 20 0 FIADHM C[C@H]1N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC12CCOCC2 ZINC000436991110 1099494573 /nfs/dbraw/zinc/49/45/73/1099494573.db2.gz QHZLNTIZFICMMJ-QGZVFWFLSA-N -1 3 365.473 4.014 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)c([O-])c1 ZINC000436989783 1099494836 /nfs/dbraw/zinc/49/48/36/1099494836.db2.gz SECBVCYSTLTTQE-UHFFFAOYSA-N -1 3 368.477 4.061 20 0 FIADHM COc1ccc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)cc1F ZINC000436996708 1099502333 /nfs/dbraw/zinc/50/23/33/1099502333.db2.gz DWWXGZASDDUIQC-UHFFFAOYSA-N -1 3 350.349 4.334 20 0 FIADHM CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(OC)cc3[O-])oc21 ZINC000437002244 1099521936 /nfs/dbraw/zinc/52/19/36/1099521936.db2.gz MDESHAJIUHISIS-LBPRGKRZSA-N -1 3 355.390 4.037 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3CC(C)C)cc2)cc(=O)[n-]1 ZINC000623453136 1099757941 /nfs/dbraw/zinc/75/79/41/1099757941.db2.gz ZDKVRANUCIQERR-KRWDZBQOSA-N -1 3 354.454 4.200 20 0 FIADHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cc(F)cc2n[n-]nc21 ZINC000506014608 1099781617 /nfs/dbraw/zinc/78/16/17/1099781617.db2.gz IYDHABUAGCZKKF-UHFFFAOYSA-N -1 3 358.682 4.022 20 0 FIADHM Cn1cc(C(=O)Nc2ccc(Br)cc2[O-])c2cc(F)ccc21 ZINC000516904904 1099915582 /nfs/dbraw/zinc/91/55/82/1099915582.db2.gz PXRULKTZOUOSKN-UHFFFAOYSA-N -1 3 363.186 4.038 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(CC(F)(F)F)cs1 ZINC000517052692 1100000293 /nfs/dbraw/zinc/00/02/93/1100000293.db2.gz KBBUEQUXMWYQAB-UHFFFAOYSA-N -1 3 362.348 4.054 20 0 FIADHM CCOc1ccccc1[C@@H](CC(C)C)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459393025 1100118595 /nfs/dbraw/zinc/11/85/95/1100118595.db2.gz XMPPOSJRLAWEJP-GOSISDBHSA-N -1 3 355.482 4.335 20 0 FIADHM Cc1ccccc1[C@H](CC(F)(F)F)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000459433715 1100170702 /nfs/dbraw/zinc/17/07/02/1100170702.db2.gz TVFPYSNNQYGJSH-HNNXBMFYSA-N -1 3 351.372 4.151 20 0 FIADHM CO[C@H]1CCOc2c(NCc3cccc([O-])c3Br)cccc21 ZINC000459508035 1100263335 /nfs/dbraw/zinc/26/33/35/1100263335.db2.gz SFSBCWYXZKJUKW-HNNXBMFYSA-N -1 3 364.239 4.237 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1Br ZINC000459527626 1100276686 /nfs/dbraw/zinc/27/66/86/1100276686.db2.gz NFQGCYKXGDIFNU-HNNXBMFYSA-N -1 3 350.231 4.461 20 0 FIADHM C[C@@H](NCc1cccc([O-])c1Br)[C@@H]1OCCc2sccc21 ZINC000459555730 1100301421 /nfs/dbraw/zinc/30/14/21/1100301421.db2.gz IIHLBOZAHJEGJU-HWPZZCPQSA-N -1 3 368.296 4.008 20 0 FIADHM [O-]c1cccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1Cl ZINC000459643451 1100384526 /nfs/dbraw/zinc/38/45/26/1100384526.db2.gz CRIOLSXFIMZBST-CQSZACIVSA-N -1 3 363.807 4.227 20 0 FIADHM Cc1cccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000506177007 1100420199 /nfs/dbraw/zinc/42/01/99/1100420199.db2.gz YMUJEWDDQZUZCP-UHFFFAOYSA-N -1 3 372.424 4.272 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4cc(Cl)ccc4o3)nc21 ZINC000438343119 1100613492 /nfs/dbraw/zinc/61/34/92/1100613492.db2.gz AYXCZDNSBCJJCG-UHFFFAOYSA-N -1 3 369.764 4.001 20 0 FIADHM CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H](COC)Cc1ccccc1 ZINC000517949428 1100814391 /nfs/dbraw/zinc/81/43/91/1100814391.db2.gz VZPFWSUYQLYTLA-SFHVURJKSA-N -1 3 361.869 4.118 20 0 FIADHM CO[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000469405437 1100829042 /nfs/dbraw/zinc/82/90/42/1100829042.db2.gz HGIFZBKTFIYYPM-SFHVURJKSA-N -1 3 365.832 4.011 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3csc(C(C)(C)C)n3)s2)cc1 ZINC000518119747 1100918396 /nfs/dbraw/zinc/91/83/96/1100918396.db2.gz HPIQDRZOIKKKSY-UHFFFAOYSA-N -1 3 372.519 4.444 20 0 FIADHM CN(c1ccccc1)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000518286203 1101067897 /nfs/dbraw/zinc/06/78/97/1101067897.db2.gz NZOSBROCABIOKM-UHFFFAOYSA-N -1 3 353.809 4.461 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000473599280 1101205708 /nfs/dbraw/zinc/20/57/08/1101205708.db2.gz MIOAZZMLCPKIGN-NXEZZACHSA-N -1 3 357.278 4.431 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)o1 ZINC000536897370 1101317541 /nfs/dbraw/zinc/31/75/41/1101317541.db2.gz PDHOJTJFPVEGTF-OAHLLOKOSA-N -1 3 361.385 4.282 20 0 FIADHM C[C@H](CCCc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431826 1101324090 /nfs/dbraw/zinc/32/40/90/1101324090.db2.gz GICJPRZQPQGIBK-GFCCVEGCSA-N -1 3 373.806 4.118 20 0 FIADHM COc1ccc(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c([O-])c1 ZINC000172807278 1101356349 /nfs/dbraw/zinc/35/63/49/1101356349.db2.gz GTRZHETUGJPOSZ-CYBMUJFWSA-N -1 3 360.479 4.001 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000537107683 1101473797 /nfs/dbraw/zinc/47/37/97/1101473797.db2.gz LLBGXNQITHSSIB-IBGZPJMESA-N -1 3 367.880 4.472 20 0 FIADHM CCCCOc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000506602877 1101529907 /nfs/dbraw/zinc/52/99/07/1101529907.db2.gz SSLSXAPESIZLJK-UHFFFAOYSA-N -1 3 366.483 4.093 20 0 FIADHM CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc([O-])c(Cl)c2)[nH]1 ZINC000183461293 1101627709 /nfs/dbraw/zinc/62/77/09/1101627709.db2.gz CETZPLCXPSRAFV-UHFFFAOYSA-N -1 3 356.813 4.206 20 0 FIADHM Cc1sc2[n-]c(COCC(F)(F)F)nc(=O)c2c1-c1ccccc1 ZINC000055501980 1101674112 /nfs/dbraw/zinc/67/41/12/1101674112.db2.gz ANCHKPLAVNEYNO-UHFFFAOYSA-N -1 3 354.353 4.039 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC[C@@H](C)C3)cc2)cc1 ZINC000537354906 1101689159 /nfs/dbraw/zinc/68/91/59/1101689159.db2.gz NCDPSPOBVUZVNS-HZPDHXFCSA-N -1 3 372.490 4.171 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911300 1101697957 /nfs/dbraw/zinc/69/79/57/1101697957.db2.gz NVHJPGUPAFITRI-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000102606096 1101835445 /nfs/dbraw/zinc/83/54/45/1101835445.db2.gz NMWQSTPIEADJQX-UHFFFAOYSA-N -1 3 374.506 4.479 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)c3ccccc3F)cc2)n1 ZINC000102637778 1101898139 /nfs/dbraw/zinc/89/81/39/1101898139.db2.gz SYKNWCFZSXKBFE-CYBMUJFWSA-N -1 3 365.408 4.017 20 0 FIADHM Cc1ccc(-c2nc(C)c(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)s2)o1 ZINC000519067328 1101904263 /nfs/dbraw/zinc/90/42/63/1101904263.db2.gz WGUMOPRSZVPDDM-UHFFFAOYSA-N -1 3 364.430 4.084 20 0 FIADHM C[C@H]1COCC[C@@H]1c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000519070831 1101906615 /nfs/dbraw/zinc/90/66/15/1101906615.db2.gz YPPNQSCTHPNYPL-YOEHRIQHSA-N -1 3 350.418 4.173 20 0 FIADHM O=C(Cc1cccc2ccccc21)[N-]OCc1ncc(-c2cccs2)o1 ZINC000760438699 1101970144 /nfs/dbraw/zinc/97/01/44/1101970144.db2.gz OBELFLLYAQFTOS-UHFFFAOYSA-N -1 3 364.426 4.347 20 0 FIADHM COc1ccc(Cl)cc1NCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476137015 1101970478 /nfs/dbraw/zinc/97/04/78/1101970478.db2.gz DYCJRHNYFPDAEY-UHFFFAOYSA-N -1 3 374.746 4.124 20 0 FIADHM C[C@H](Oc1ncc(Br)cc1[O-])c1c(Cl)cncc1Cl ZINC001228956372 1101982083 /nfs/dbraw/zinc/98/20/83/1101982083.db2.gz OQQNKEOYKMEJSM-LURJTMIESA-N -1 3 364.026 4.392 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000476152960 1101990856 /nfs/dbraw/zinc/99/08/56/1101990856.db2.gz KQEGDFJIWRYHGZ-AWEZNQCLSA-N -1 3 357.715 4.007 20 0 FIADHM CC(C)(C)c1nc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cs1 ZINC000125288070 1102002134 /nfs/dbraw/zinc/00/21/34/1102002134.db2.gz DBZUPTXKMTYDCD-UHFFFAOYSA-N -1 3 358.385 4.346 20 0 FIADHM O=C(COC/C=C\c1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476170678 1102012845 /nfs/dbraw/zinc/01/28/45/1102012845.db2.gz UCCCOGFTPMWTAG-DAXSKMNVSA-N -1 3 351.324 4.080 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1F ZINC000519231184 1102025820 /nfs/dbraw/zinc/02/58/20/1102025820.db2.gz QSWKAMRRLMCREY-UHFFFAOYSA-N -1 3 365.760 4.190 20 0 FIADHM CCCCOc1ccc(OC)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000666326090 1102095283 /nfs/dbraw/zinc/09/52/83/1102095283.db2.gz WFSOLAVEVZITBS-UHFFFAOYSA-N -1 3 357.406 4.035 20 0 FIADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1C ZINC000006348419 1102113389 /nfs/dbraw/zinc/11/33/89/1102113389.db2.gz QZHXFRFVQJXIAK-UHFFFAOYSA-N -1 3 355.406 4.322 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1C ZINC000475831727 1102117852 /nfs/dbraw/zinc/11/78/52/1102117852.db2.gz PCPROKKQNOVSDS-UHFFFAOYSA-N -1 3 368.458 4.175 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)c1nc(C2CCCCC2)no1 ZINC000476342776 1102129135 /nfs/dbraw/zinc/12/91/35/1102129135.db2.gz PKKWKLKQJYPOKM-CQSZACIVSA-N -1 3 369.531 4.068 20 0 FIADHM C[C@H]1CC[C@](CNCc2csc(COc3ccccc3)n2)(CC(=O)[O-])C1 ZINC000426638429 1102223284 /nfs/dbraw/zinc/22/32/84/1102223284.db2.gz QOTSRGWMBIFJTN-MGPUTAFESA-N -1 3 374.506 4.093 20 0 FIADHM C[C@H]1CC[C@@](CNCc2csc(COc3ccccc3)n2)(CC(=O)[O-])C1 ZINC000426638431 1102223769 /nfs/dbraw/zinc/22/37/69/1102223769.db2.gz QOTSRGWMBIFJTN-YWZLYKJASA-N -1 3 374.506 4.093 20 0 FIADHM O=C([O-])[C@@H](CCCNCc1coc(-c2ccccc2)n1)Cc1ccccc1 ZINC000426642998 1102228702 /nfs/dbraw/zinc/22/87/02/1102228702.db2.gz MEGISFUDSGDVFF-IBGZPJMESA-N -1 3 364.445 4.155 20 0 FIADHM O=C([O-])C[C@H](CNCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000426653860 1102262698 /nfs/dbraw/zinc/26/26/98/1102262698.db2.gz GHOBGUPLRVUQDW-OAHLLOKOSA-N -1 3 358.488 4.220 20 0 FIADHM O=C([O-])c1ccccc1C1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000666586425 1102307049 /nfs/dbraw/zinc/30/70/49/1102307049.db2.gz QGHYXJAUNYTMPP-UHFFFAOYSA-N -1 3 361.445 4.155 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1 ZINC000110494432 1102333156 /nfs/dbraw/zinc/33/31/56/1102333156.db2.gz GMPAAIFTPRHYQV-UHFFFAOYSA-N -1 3 367.474 4.041 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCc2sccc21 ZINC000532460549 1102368441 /nfs/dbraw/zinc/36/84/41/1102368441.db2.gz XMCWPCQWYCAHIT-NSHDSACASA-N -1 3 352.253 4.275 20 0 FIADHM Cc1ccc(C[C@H](CNCc2ncc(-c3ccccc3)s2)C(=O)[O-])cc1 ZINC000426658072 1102382447 /nfs/dbraw/zinc/38/24/47/1102382447.db2.gz VCKVWTZMLZYSCY-GOSISDBHSA-N -1 3 366.486 4.152 20 0 FIADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000104861945 1102482167 /nfs/dbraw/zinc/48/21/67/1102482167.db2.gz QFPPYEBEKIGMGY-UHFFFAOYSA-N -1 3 360.841 4.170 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccccc2-c2ccccc2)c1 ZINC000101677278 1102655412 /nfs/dbraw/zinc/65/54/12/1102655412.db2.gz IOIBNBXIBLWZFF-UHFFFAOYSA-N -1 3 374.440 4.290 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000123039458 1102751446 /nfs/dbraw/zinc/75/14/46/1102751446.db2.gz OGQUZJPUEBNSFP-QWHCGFSZSA-N -1 3 374.868 4.268 20 0 FIADHM CCOc1cc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000459309064 1102772855 /nfs/dbraw/zinc/77/28/55/1102772855.db2.gz SDOHPELNRRLXLT-GOSISDBHSA-N -1 3 365.832 4.157 20 0 FIADHM CN(Cc1nc2c(s1)CCCC2)Cc1cccc([O-])c1Br ZINC000459337727 1102848139 /nfs/dbraw/zinc/84/81/39/1102848139.db2.gz BLHSKZYPKAVHOY-UHFFFAOYSA-N -1 3 367.312 4.122 20 0 FIADHM CCOc1ccc(OC)cc1NCc1cccc([O-])c1Br ZINC000459347571 1102875101 /nfs/dbraw/zinc/87/51/01/1102875101.db2.gz GDURLZRVWPYORQ-UHFFFAOYSA-N -1 3 352.228 4.174 20 0 FIADHM CC[C@H](C)CN(C)c1ccc(F)cc1CNCc1ccccc1CC(=O)[O-] ZINC000426680558 1102925719 /nfs/dbraw/zinc/92/57/19/1102925719.db2.gz OTTQKYPRKQQZLS-INIZCTEOSA-N -1 3 372.484 4.225 20 0 FIADHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C3CCCCC3)cc2)s1 ZINC001211950441 1102942763 /nfs/dbraw/zinc/94/27/63/1102942763.db2.gz BPXWSEVJHZVCTD-UHFFFAOYSA-N -1 3 364.536 4.232 20 0 FIADHM O=C([O-])c1ccc(CNCc2ccc(Cl)c(Br)c2)cc1 ZINC000426709867 1102946262 /nfs/dbraw/zinc/94/62/62/1102946262.db2.gz GDFMZAPRUKNKNE-UHFFFAOYSA-N -1 3 354.631 4.091 20 0 FIADHM O=C([O-])[C@H](NCc1cc(Cl)cc2cccnc21)c1cccc(Cl)c1 ZINC000426737490 1102955919 /nfs/dbraw/zinc/95/59/19/1102955919.db2.gz OLVOTILPXMMCIG-QGZVFWFLSA-N -1 3 361.228 4.457 20 0 FIADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1OCC(C)C ZINC000426742100 1102958154 /nfs/dbraw/zinc/95/81/54/1102958154.db2.gz OBQICSLLVCYTGR-OAQYLSRUSA-N -1 3 371.477 4.262 20 0 FIADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426744021 1102960376 /nfs/dbraw/zinc/96/03/76/1102960376.db2.gz VSONJLJGBUKBPW-GOSISDBHSA-N -1 3 363.841 4.053 20 0 FIADHM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OCC(C)C ZINC000426764616 1102963832 /nfs/dbraw/zinc/96/38/32/1102963832.db2.gz XPURXKJDUFPUMM-OAQYLSRUSA-N -1 3 371.477 4.262 20 0 FIADHM CCCSC[C@@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000426763409 1102964268 /nfs/dbraw/zinc/96/42/68/1102964268.db2.gz RXXAABJMAHDFQV-GFCCVEGCSA-N -1 3 355.809 4.045 20 0 FIADHM COc1cccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000426754874 1102970202 /nfs/dbraw/zinc/97/02/02/1102970202.db2.gz UWEDJFOFEJMEFK-INIZCTEOSA-N -1 3 354.233 4.308 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc3c(cc(C)cc3C)[nH]2)c1 ZINC000426772277 1102977619 /nfs/dbraw/zinc/97/76/19/1102977619.db2.gz CQILMSHHVXIDDY-IBGZPJMESA-N -1 3 352.434 4.099 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 ZINC000426766248 1102985858 /nfs/dbraw/zinc/98/58/58/1102985858.db2.gz YMAYYVNJPXBDAW-NRFANRHFSA-N -1 3 365.404 4.320 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3cccs3)s2)c1 ZINC000426787795 1102990307 /nfs/dbraw/zinc/99/03/07/1102990307.db2.gz HUYJGXIWTWYLMQ-HNNXBMFYSA-N -1 3 374.487 4.186 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000426791755 1102994021 /nfs/dbraw/zinc/99/40/21/1102994021.db2.gz GMQHONALPNLLSA-GFCCVEGCSA-N -1 3 360.660 4.080 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Sc2ccccc2)cc1)c1ccc(O)cc1 ZINC000426798958 1102998448 /nfs/dbraw/zinc/99/84/48/1102998448.db2.gz GTVQCXHNEMLYBM-HXUWFJFHSA-N -1 3 365.454 4.459 20 0 FIADHM Cc1ccc(F)cc1CN[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000426823696 1103020539 /nfs/dbraw/zinc/02/05/39/1103020539.db2.gz DSATWHRPMBUQOX-MRXNPFEDSA-N -1 3 366.230 4.202 20 0 FIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)ccc1F ZINC000551420963 1103201805 /nfs/dbraw/zinc/20/18/05/1103201805.db2.gz PDCQRVOVLYOKDS-INIZCTEOSA-N -1 3 355.331 4.459 20 0 FIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)ccc1F ZINC000551420964 1103202159 /nfs/dbraw/zinc/20/21/59/1103202159.db2.gz PDCQRVOVLYOKDS-MRXNPFEDSA-N -1 3 355.331 4.459 20 0 FIADHM COc1ccc(Oc2ccc(NC(=O)c3cc([O-])ccc3Cl)cn2)cc1 ZINC000551427193 1103210829 /nfs/dbraw/zinc/21/08/29/1103210829.db2.gz ARGNQEXHRWGHJU-UHFFFAOYSA-N -1 3 370.792 4.494 20 0 FIADHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1ncccc1Cl ZINC000507510279 1103452586 /nfs/dbraw/zinc/45/25/86/1103452586.db2.gz ODUNAQNWEVLACN-ZDUSSCGKSA-N -1 3 370.865 4.307 20 0 FIADHM CN(Cc1c(F)ccc([O-])c1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507522908 1103466930 /nfs/dbraw/zinc/46/69/30/1103466930.db2.gz ABXPBVDORZGTEC-NVXWUHKLSA-N -1 3 374.214 4.067 20 0 FIADHM CC(C)n1cc(Cl)c([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)n1 ZINC000894874095 1103730050 /nfs/dbraw/zinc/73/00/50/1103730050.db2.gz LYLSYJPXGXVFHO-UHFFFAOYSA-N -1 3 373.187 4.498 20 0 FIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000551934673 1103780536 /nfs/dbraw/zinc/78/05/36/1103780536.db2.gz JLSSPSIYZVJVPU-UHFFFAOYSA-N -1 3 360.826 4.285 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000614531095 1103817775 /nfs/dbraw/zinc/81/77/75/1103817775.db2.gz ZQSDTKFFZLWHBH-AWEZNQCLSA-N -1 3 359.413 4.309 20 0 FIADHM O=c1[n-]nc(SCc2ccc(C(F)F)cc2)n1CCc1ccccc1 ZINC000460657340 1103952998 /nfs/dbraw/zinc/95/29/98/1103952998.db2.gz NQDGTRCTLFZWNQ-UHFFFAOYSA-N -1 3 361.417 4.456 20 0 FIADHM CC(C)Cn1cc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cn1 ZINC000417573336 1104995817 /nfs/dbraw/zinc/99/58/17/1104995817.db2.gz QAQXGQZBSIHVQO-IBGZPJMESA-N -1 3 357.498 4.142 20 0 FIADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000614622207 1105048186 /nfs/dbraw/zinc/04/81/86/1105048186.db2.gz KDUGUISDFWMFDY-ONGXEEELSA-N -1 3 360.262 4.188 20 0 FIADHM CCc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c([O-])c1 ZINC000190796458 1105160108 /nfs/dbraw/zinc/16/01/08/1105160108.db2.gz ODPAEOTUGLONBX-UHFFFAOYSA-N -1 3 364.445 4.314 20 0 FIADHM COc1ccc(F)c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000507953624 1105276369 /nfs/dbraw/zinc/27/63/69/1105276369.db2.gz VBUGDGDJIDDZOU-UHFFFAOYSA-N -1 3 357.406 4.302 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000427950228 1105324930 /nfs/dbraw/zinc/32/49/30/1105324930.db2.gz MQLCNCNMCKADFU-NLKGSNSHSA-N -1 3 371.374 4.296 20 0 FIADHM O=C(Nc1ccc(F)cc1)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000508164326 1105344645 /nfs/dbraw/zinc/34/46/45/1105344645.db2.gz ZWPBLHXYBVUESC-UHFFFAOYSA-N -1 3 362.832 4.035 20 0 FIADHM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450896703 1106782031 /nfs/dbraw/zinc/78/20/31/1106782031.db2.gz NZRPNPNDDWAISA-WCQYABFASA-N -1 3 374.828 4.024 20 0 FIADHM O=C([O-])c1ccc(CN2CCC[C@@]3(CCc4ccccc4O3)C2)cc1Cl ZINC000530173042 1106902371 /nfs/dbraw/zinc/90/23/71/1106902371.db2.gz SARHFYGBJFBJLQ-OAQYLSRUSA-N -1 3 371.864 4.398 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)C[C@@H](C)C1CCCCC1 ZINC000530172937 1106902816 /nfs/dbraw/zinc/90/28/16/1106902816.db2.gz MCNBQJMFBJGSDF-OAHLLOKOSA-N -1 3 357.498 4.403 20 0 FIADHM CN(C)C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000530252983 1106932072 /nfs/dbraw/zinc/93/20/72/1106932072.db2.gz SYWWRTSJJRNWGH-KRWDZBQOSA-N -1 3 367.276 4.084 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)Cc3ccccc3)nc2)n1 ZINC000301294811 1106983631 /nfs/dbraw/zinc/98/36/31/1106983631.db2.gz RDSASLNMVXIBSQ-UHFFFAOYSA-N -1 3 362.477 4.487 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000451399504 1107075114 /nfs/dbraw/zinc/07/51/14/1107075114.db2.gz LULKPZIWTBFKRV-CTYIDZIISA-N -1 3 367.342 4.155 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C)cc3SC)nc2)n1 ZINC000301601610 1107083163 /nfs/dbraw/zinc/08/31/63/1107083163.db2.gz JKLRAQNOKJVDLG-UHFFFAOYSA-N -1 3 366.490 4.449 20 0 FIADHM COC(=O)c1ccc(C[N-]c2nc(-c3cc(Cl)cc(Cl)c3)no2)o1 ZINC000301607688 1107086633 /nfs/dbraw/zinc/08/66/33/1107086633.db2.gz ZKGQGTAOPDJELA-UHFFFAOYSA-N -1 3 368.176 4.035 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCOC4(CCCCC4)C3)nc2)n1 ZINC000301700326 1107114796 /nfs/dbraw/zinc/11/47/96/1107114796.db2.gz PKYGVRBTSAFOEG-KRWDZBQOSA-N -1 3 368.481 4.100 20 0 FIADHM CC(C)Oc1ccccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000530678761 1107251405 /nfs/dbraw/zinc/25/14/05/1107251405.db2.gz ZEQVIZHUBHDNKB-UHFFFAOYSA-N -1 3 364.239 4.123 20 0 FIADHM O=C(NCCNc1nc(-c2ccccc2Cl)cs1)c1ccc([O-])cc1 ZINC000302060046 1107282075 /nfs/dbraw/zinc/28/20/75/1107282075.db2.gz BZFYKNYMUYOQDJ-UHFFFAOYSA-N -1 3 373.865 4.011 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCSc2ccccc21 ZINC000530777082 1107314490 /nfs/dbraw/zinc/31/44/90/1107314490.db2.gz HDXIFQJPIPAVGA-LBPRGKRZSA-N -1 3 364.264 4.373 20 0 FIADHM O=C(Nc1cc(Cc2ccccc2)ccc1O)c1c[n-]c2ccccc2c1=O ZINC000530875068 1107380561 /nfs/dbraw/zinc/38/05/61/1107380561.db2.gz JHCHHVBDHSVZSR-UHFFFAOYSA-N -1 3 370.408 4.077 20 0 FIADHM CC(C)Oc1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000531015367 1107464075 /nfs/dbraw/zinc/46/40/75/1107464075.db2.gz ZVPMHFIFPMDLSL-UHFFFAOYSA-N -1 3 364.239 4.123 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)c(F)c1 ZINC000469893363 1107523604 /nfs/dbraw/zinc/52/36/04/1107523604.db2.gz NUIASPROQLCUKP-UHFFFAOYSA-N -1 3 373.384 4.247 20 0 FIADHM CC(C)C[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000262724839 1107524089 /nfs/dbraw/zinc/52/40/89/1107524089.db2.gz YLNOISSWXPZGEJ-AWEZNQCLSA-N -1 3 372.412 4.418 20 0 FIADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Br)ccc1[O-] ZINC000531155337 1107613653 /nfs/dbraw/zinc/61/36/53/1107613653.db2.gz VABZPOSXQFKSLG-SECBINFHSA-N -1 3 370.630 4.214 20 0 FIADHM Cc1c(C(=O)Nc2cc(Br)ccc2[O-])cnc2ccccc12 ZINC000531254139 1107702222 /nfs/dbraw/zinc/70/22/22/1107702222.db2.gz JZKSDHDJOMUASF-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000531253829 1107702721 /nfs/dbraw/zinc/70/27/21/1107702721.db2.gz JIDDXIGHDDLVNP-VXGBXAGGSA-N -1 3 368.177 4.175 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)cc1C ZINC000614781944 1107776404 /nfs/dbraw/zinc/77/64/04/1107776404.db2.gz JSVVBMZDTMKKEW-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM C[C@@H](Oc1ccc(C(=O)Nc2cc(F)ccc2[O-])cn1)c1ccccc1 ZINC000531373069 1107814453 /nfs/dbraw/zinc/81/44/53/1107814453.db2.gz DTWJVGUKLFZFRO-CYBMUJFWSA-N -1 3 352.365 4.319 20 0 FIADHM COc1ccc([C@H](C)CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000531492904 1107929025 /nfs/dbraw/zinc/92/90/25/1107929025.db2.gz XWXCDQAMWFPXSD-LLVKDONJSA-N -1 3 364.239 4.296 20 0 FIADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(Br)ccc1[O-] ZINC000531618090 1108028152 /nfs/dbraw/zinc/02/81/52/1108028152.db2.gz UVKRKOSJWQTVMT-HNNXBMFYSA-N -1 3 356.260 4.221 20 0 FIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000531785939 1108177426 /nfs/dbraw/zinc/17/74/26/1108177426.db2.gz WBROCZXVAQBOOK-UHFFFAOYSA-N -1 3 365.414 4.364 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1 ZINC000523418726 1108205351 /nfs/dbraw/zinc/20/53/51/1108205351.db2.gz BJESIKOUVSVDJD-UHFFFAOYSA-N -1 3 355.434 4.073 20 0 FIADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000523470344 1108241341 /nfs/dbraw/zinc/24/13/41/1108241341.db2.gz BRYPHMUHTCCQNN-QGZVFWFLSA-N -1 3 350.821 4.381 20 0 FIADHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnc(C4CC4)s3)s2)c1 ZINC000523708999 1108464807 /nfs/dbraw/zinc/46/48/07/1108464807.db2.gz DQZKBIKTTQHHFY-UHFFFAOYSA-N -1 3 356.476 4.408 20 0 FIADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000523849102 1108586961 /nfs/dbraw/zinc/58/69/61/1108586961.db2.gz KPLDZIIYIHIULH-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM COc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1C1CC1 ZINC000445257066 1108598804 /nfs/dbraw/zinc/59/88/04/1108598804.db2.gz CCRSEVKIBLNSKL-UHFFFAOYSA-N -1 3 374.400 4.356 20 0 FIADHM COc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1C1CC1 ZINC000445257066 1108598818 /nfs/dbraw/zinc/59/88/18/1108598818.db2.gz CCRSEVKIBLNSKL-UHFFFAOYSA-N -1 3 374.400 4.356 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(-c2cccc(F)c2)no1 ZINC000532127925 1108671510 /nfs/dbraw/zinc/67/15/10/1108671510.db2.gz OYOBXASRXHCKCQ-UHFFFAOYSA-N -1 3 366.270 4.457 20 0 FIADHM CCS(=O)(=O)c1ccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000445604598 1108904722 /nfs/dbraw/zinc/90/47/22/1108904722.db2.gz MBGNBJKOMMETNF-UHFFFAOYSA-N -1 3 372.446 4.026 20 0 FIADHM CCSc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000445768788 1108976509 /nfs/dbraw/zinc/97/65/09/1108976509.db2.gz SPCVYAUVYSTSRX-UHFFFAOYSA-N -1 3 358.419 4.238 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1SCCc2sccc21 ZINC000525192095 1109296921 /nfs/dbraw/zinc/29/69/21/1109296921.db2.gz ACEJFDVWVKHLEV-ZDUSSCGKSA-N -1 3 370.293 4.185 20 0 FIADHM O=S(=O)([N-][C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000525386450 1109360158 /nfs/dbraw/zinc/36/01/58/1109360158.db2.gz PDMVPOPXMVIIPV-GMSGAONNSA-N -1 3 366.266 4.028 20 0 FIADHM CC(C)(C)OC(=O)O[C@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142106040 1109423723 /nfs/dbraw/zinc/42/37/23/1109423723.db2.gz XEOCKQKSDIGNCT-NSHDSACASA-N -1 3 362.253 4.225 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000447233119 1109485024 /nfs/dbraw/zinc/48/50/24/1109485024.db2.gz XMXXZYKUHYHWGI-LJQANCHMSA-N -1 3 360.404 4.401 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)c1 ZINC000447261197 1109489853 /nfs/dbraw/zinc/48/98/53/1109489853.db2.gz UEFLZHMZHLZCSU-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)s1 ZINC000525773178 1109513888 /nfs/dbraw/zinc/51/38/88/1109513888.db2.gz RJXUOWRBFZVGKC-UHFFFAOYSA-N -1 3 362.505 4.269 20 0 FIADHM CC(C)(C)CC(=O)NC1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142118447 1109528775 /nfs/dbraw/zinc/52/87/75/1109528775.db2.gz LUZNRTSYQXTTPU-UHFFFAOYSA-N -1 3 373.324 4.216 20 0 FIADHM C[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CO1 ZINC000525882830 1109543777 /nfs/dbraw/zinc/54/37/77/1109543777.db2.gz UGJBBTLFUXYGEG-NWDGAFQWSA-N -1 3 354.431 4.032 20 0 FIADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1cccc2n[n-]nc21 ZINC000525872745 1109547165 /nfs/dbraw/zinc/54/71/65/1109547165.db2.gz CCJOQZUOJCSYNG-UHFFFAOYSA-N -1 3 365.780 4.051 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ncsc1C(F)(F)F ZINC000526918684 1109646238 /nfs/dbraw/zinc/64/62/38/1109646238.db2.gz FUAOZPZZKJKVIW-UHFFFAOYSA-N -1 3 356.247 4.139 20 0 FIADHM COc1cc(C(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)cc(OC)c1[O-] ZINC000447858163 1109660946 /nfs/dbraw/zinc/66/09/46/1109660946.db2.gz IGYZQMWMYCYYIH-GOSISDBHSA-N -1 3 361.413 4.018 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1cnc(-c2ccsc2)s1 ZINC000448491529 1109808552 /nfs/dbraw/zinc/80/85/52/1109808552.db2.gz ICBYMSOTGIYVQK-UHFFFAOYSA-N -1 3 371.418 4.340 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1cc(F)c(Cl)cc1F ZINC000448493768 1109809050 /nfs/dbraw/zinc/80/90/50/1109809050.db2.gz ZMKGPSCIRDMOEM-UHFFFAOYSA-N -1 3 352.699 4.087 20 0 FIADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448665551 1109859422 /nfs/dbraw/zinc/85/94/22/1109859422.db2.gz MRQGHJRAPKLTAX-LLVKDONJSA-N -1 3 355.331 4.312 20 0 FIADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448665552 1109859531 /nfs/dbraw/zinc/85/95/31/1109859531.db2.gz MRQGHJRAPKLTAX-NSHDSACASA-N -1 3 355.331 4.312 20 0 FIADHM [O-]c1cccc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)c1Cl ZINC000449442892 1110080255 /nfs/dbraw/zinc/08/02/55/1110080255.db2.gz NOLVUBBVPWTFPA-AWEZNQCLSA-N -1 3 359.775 4.278 20 0 FIADHM CCC(CC)n1nc(C(=O)Nc2ccc(Br)cc2[O-])cc1C ZINC000538459694 1111150487 /nfs/dbraw/zinc/15/04/87/1111150487.db2.gz KFGIBCXWXRQMCC-UHFFFAOYSA-N -1 3 366.259 4.273 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1cnc(-c2ccccc2)s1 ZINC000448491542 1111402212 /nfs/dbraw/zinc/40/22/12/1111402212.db2.gz IGTWQHIUSMTOCM-UHFFFAOYSA-N -1 3 365.389 4.278 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2OCc2ccccc2)o1 ZINC000539115820 1111438088 /nfs/dbraw/zinc/43/80/88/1111438088.db2.gz JCIGNMRKPIETOO-MRXNPFEDSA-N -1 3 371.458 4.207 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)sc1C ZINC000539109227 1111445537 /nfs/dbraw/zinc/44/55/37/1111445537.db2.gz VOUZTYPBQHKKIN-ZDUSSCGKSA-N -1 3 363.426 4.337 20 0 FIADHM COc1cccc(-c2c[nH]cc2C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000539320936 1111512009 /nfs/dbraw/zinc/51/20/09/1111512009.db2.gz TVBBBJSCQNBVIJ-UHFFFAOYSA-N -1 3 372.428 4.063 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(-c3ccccc3)o2)c1F ZINC000478057000 1111659955 /nfs/dbraw/zinc/65/99/55/1111659955.db2.gz GJLXQZKCHCXUKP-UHFFFAOYSA-N -1 3 357.312 4.264 20 0 FIADHM COc1cc(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)cc(Cl)c1[O-] ZINC000478048497 1111665475 /nfs/dbraw/zinc/66/54/75/1111665475.db2.gz RQFYSVVOYDICSZ-UHFFFAOYSA-N -1 3 369.248 4.022 20 0 FIADHM CC(C)COc1ncc(C(=O)Nc2c([O-])cccc2Cl)cc1Cl ZINC000552432414 1111704508 /nfs/dbraw/zinc/70/45/08/1111704508.db2.gz JONDBDGCGMMVKY-UHFFFAOYSA-N -1 3 355.221 4.381 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000552432601 1111705147 /nfs/dbraw/zinc/70/51/47/1111705147.db2.gz RYGWLGGSEUMPJY-UHFFFAOYSA-N -1 3 372.852 4.104 20 0 FIADHM COc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1-c1ccccn1 ZINC000552780934 1111811276 /nfs/dbraw/zinc/81/12/76/1111811276.db2.gz XMZDLRZVCHAGBB-UHFFFAOYSA-N -1 3 354.793 4.369 20 0 FIADHM COc1ccc2sc(C(=O)Nc3n[n-]c(-c4ccc(C)o4)n3)c(C)c2c1 ZINC000479474368 1112037110 /nfs/dbraw/zinc/03/71/10/1112037110.db2.gz CLBMCPCJGYJYAF-UHFFFAOYSA-N -1 3 368.418 4.157 20 0 FIADHM Cc1ccc2c(c1)CCN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)C2 ZINC000479552655 1112069013 /nfs/dbraw/zinc/06/90/13/1112069013.db2.gz IJWLIGAJFGOTQD-UHFFFAOYSA-N -1 3 374.444 4.056 20 0 FIADHM O=C(N[C@H]1CCCc2sc(Cl)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000553828990 1112106993 /nfs/dbraw/zinc/10/69/93/1112106993.db2.gz QEQDOKFWLLQCKL-ZDUSSCGKSA-N -1 3 358.850 4.050 20 0 FIADHM CC(C)c1cccc(C(C)C)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000479716905 1112123300 /nfs/dbraw/zinc/12/33/00/1112123300.db2.gz PNJSUKZKCLZHRU-UHFFFAOYSA-N -1 3 369.391 4.392 20 0 FIADHM COc1cc(C(=O)N[C@H](C)C2(c3ccccc3)CCCC2)cc(OC)c1[O-] ZINC000479762847 1112134696 /nfs/dbraw/zinc/13/46/96/1112134696.db2.gz DZKWDHLJBQWOEI-OAHLLOKOSA-N -1 3 369.461 4.040 20 0 FIADHM O=C([O-])c1ccc(CN2CCC[C@@H](C3CCC3)C2)c(Br)c1 ZINC000659802533 1112171528 /nfs/dbraw/zinc/17/15/28/1112171528.db2.gz RADVUJUMOYGDIK-CQSZACIVSA-N -1 3 352.272 4.159 20 0 FIADHM CCc1ccc([C@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)cc1 ZINC000554159294 1112220948 /nfs/dbraw/zinc/22/09/48/1112220948.db2.gz IFSAEBDUJKYWKF-IBGZPJMESA-N -1 3 355.453 4.433 20 0 FIADHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C)c2c(F)cccc2Cl)cc1 ZINC001126884534 1112439664 /nfs/dbraw/zinc/43/96/64/1112439664.db2.gz RELLPNVBJXHRLI-JTQLQIEISA-N -1 3 357.759 4.457 20 0 FIADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C)c2c(F)cccc2Cl)cc1 ZINC001126884535 1112439934 /nfs/dbraw/zinc/43/99/34/1112439934.db2.gz RELLPNVBJXHRLI-SNVBAGLBSA-N -1 3 357.759 4.457 20 0 FIADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480623816 1112513904 /nfs/dbraw/zinc/51/39/04/1112513904.db2.gz GVXGWAXKDBJAAR-RBUKOAKNSA-N -1 3 360.413 4.108 20 0 FIADHM CN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000899165695 1112641197 /nfs/dbraw/zinc/64/11/97/1112641197.db2.gz QFZDETZXFOIIOA-CXAGYDPISA-N -1 3 362.420 4.093 20 0 FIADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000600097632 1112868384 /nfs/dbraw/zinc/86/83/84/1112868384.db2.gz VJUVZHWCYSZYKB-INIZCTEOSA-N -1 3 367.445 4.176 20 0 FIADHM CC(=O)c1cccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)c1[O-] ZINC000567769164 1113001904 /nfs/dbraw/zinc/00/19/04/1113001904.db2.gz RAKFBHGIQTXTLZ-UHFFFAOYSA-N -1 3 364.401 4.211 20 0 FIADHM Cc1c(Cl)cccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482777377 1113359088 /nfs/dbraw/zinc/35/90/88/1113359088.db2.gz QLBAWPRIUPXTBG-UHFFFAOYSA-N -1 3 369.646 4.438 20 0 FIADHM Cc1ccc(Cl)cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482786482 1113361662 /nfs/dbraw/zinc/36/16/62/1113361662.db2.gz BTQVKBAELURBFR-UHFFFAOYSA-N -1 3 369.646 4.438 20 0 FIADHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000482877227 1113387016 /nfs/dbraw/zinc/38/70/16/1113387016.db2.gz BNVQPRVDNDQJBU-QGZVFWFLSA-N -1 3 362.404 4.033 20 0 FIADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OCC(F)(F)F ZINC000486072807 1113501738 /nfs/dbraw/zinc/50/17/38/1113501738.db2.gz FVVXUHGOPILDSE-QHHAFSJGSA-N -1 3 366.339 4.180 20 0 FIADHM Cc1cc(=O)[n-]c(C=Cc2csc(COc3ccc(Cl)cc3)n2)n1 ZINC000486142711 1113512341 /nfs/dbraw/zinc/51/23/41/1113512341.db2.gz CCVFHLXZPZWBGZ-QPJJXVBHSA-N -1 3 359.838 4.350 20 0 FIADHM CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000486625865 1113604790 /nfs/dbraw/zinc/60/47/90/1113604790.db2.gz KPHTZMMUHSVFSP-NWDGAFQWSA-N -1 3 369.303 4.263 20 0 FIADHM Cc1[nH]c2ccc(Br)cc2c1CC(=O)[N-]OCc1ccccc1 ZINC000031616602 1113631874 /nfs/dbraw/zinc/63/18/74/1113631874.db2.gz XLMPLUVXNMPALS-UHFFFAOYSA-N -1 3 373.250 4.029 20 0 FIADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000488254982 1113890745 /nfs/dbraw/zinc/89/07/45/1113890745.db2.gz NTSCXVQZOWDYCL-UHFFFAOYSA-N -1 3 354.431 4.237 20 0 FIADHM CC(C)c1cccc(C(C)C)c1NC(=S)NNC(=O)c1ccccc1[O-] ZINC000044052289 1113909826 /nfs/dbraw/zinc/90/98/26/1113909826.db2.gz DTNCTEJEGZVROM-UHFFFAOYSA-N -1 3 371.506 4.270 20 0 FIADHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)o1 ZINC000489405912 1114100218 /nfs/dbraw/zinc/10/02/18/1114100218.db2.gz IVUXAQHDTNVYCW-UHFFFAOYSA-N -1 3 368.340 4.058 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c(C)c1 ZINC000489774440 1114170857 /nfs/dbraw/zinc/17/08/57/1114170857.db2.gz SRMBLDSUKVVXON-UHFFFAOYSA-N -1 3 373.478 4.125 20 0 FIADHM Cc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1Br ZINC000913095414 1114297123 /nfs/dbraw/zinc/29/71/23/1114297123.db2.gz OLBVVDLUAIMZMM-UHFFFAOYSA-N -1 3 374.234 4.490 20 0 FIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000913298409 1114322437 /nfs/dbraw/zinc/32/24/37/1114322437.db2.gz KJZTVHFZVCGJSZ-CSNVJCEJSA-N -1 3 368.433 4.001 20 0 FIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000913298409 1114322442 /nfs/dbraw/zinc/32/24/42/1114322442.db2.gz KJZTVHFZVCGJSZ-CSNVJCEJSA-N -1 3 368.433 4.001 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)c1 ZINC000669227780 1114494130 /nfs/dbraw/zinc/49/41/30/1114494130.db2.gz DONGECHHZFBRLG-IFXJQAMLSA-N -1 3 357.475 4.025 20 0 FIADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])c1ccccc1F ZINC000588638587 1114590112 /nfs/dbraw/zinc/59/01/12/1114590112.db2.gz OLUALARBWJJYRH-JTQLQIEISA-N -1 3 352.203 4.426 20 0 FIADHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000591175369 1115028171 /nfs/dbraw/zinc/02/81/71/1115028171.db2.gz UHDXQBJXBVZOKC-UHFFFAOYSA-N -1 3 361.449 4.016 20 0 FIADHM Cc1ccccc1C1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000591175369 1115028173 /nfs/dbraw/zinc/02/81/73/1115028173.db2.gz UHDXQBJXBVZOKC-UHFFFAOYSA-N -1 3 361.449 4.016 20 0 FIADHM CC(C)(C)OC(=O)c1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000591351747 1115068900 /nfs/dbraw/zinc/06/89/00/1115068900.db2.gz RTCUNXYUPTWJJQ-HNNXBMFYSA-N -1 3 361.463 4.009 20 0 FIADHM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000591402739 1115077985 /nfs/dbraw/zinc/07/79/85/1115077985.db2.gz TUYJHIXOIMFOQP-IBGZPJMESA-N -1 3 374.444 4.275 20 0 FIADHM S=c1[n-]nc(Cc2cccs2)n1CN1CCC[C@@H]1c1ccccc1 ZINC000058205369 1115139052 /nfs/dbraw/zinc/13/90/52/1115139052.db2.gz FVDBVEYQCBMYLW-MRXNPFEDSA-N -1 3 356.520 4.388 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CC[C@@H](c2cccnc2)C1 ZINC000573807959 1115183331 /nfs/dbraw/zinc/18/33/31/1115183331.db2.gz FIIJOQQTIHSUMQ-WBMJQRKESA-N -1 3 351.233 4.004 20 0 FIADHM CCS[C@H]1CC[C@H](N(C)Cc2c(Br)cccc2C(=O)[O-])C1 ZINC000593739679 1115341335 /nfs/dbraw/zinc/34/13/35/1115341335.db2.gz GWFRKTVHACGASZ-RYUDHWBXSA-N -1 3 372.328 4.253 20 0 FIADHM COc1ccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c(Cl)c1 ZINC000594860237 1115486317 /nfs/dbraw/zinc/48/63/17/1115486317.db2.gz JIIFGCLOKIGRGL-UHFFFAOYSA-N -1 3 362.216 4.066 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc2ccccc2c1 ZINC000059362147 1115490579 /nfs/dbraw/zinc/49/05/79/1115490579.db2.gz JYHHGOQXBIGPOK-UHFFFAOYSA-N -1 3 370.449 4.380 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(F)cccc3Cl)nc2)n1 ZINC000597932898 1115695922 /nfs/dbraw/zinc/69/59/22/1115695922.db2.gz XLMXJVMVFKACQA-UHFFFAOYSA-N -1 3 358.804 4.211 20 0 FIADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000598202112 1115713870 /nfs/dbraw/zinc/71/38/70/1115713870.db2.gz ALCMXBHJSPWTPR-INIZCTEOSA-N -1 3 367.445 4.176 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C)c3F)nc(=O)c2c1C ZINC000761283875 1115738107 /nfs/dbraw/zinc/73/81/07/1115738107.db2.gz TZASHRHURNKDCT-SNVBAGLBSA-N -1 3 360.410 4.379 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)c1 ZINC000606343177 1115937728 /nfs/dbraw/zinc/93/77/28/1115937728.db2.gz HCTGBZINAXXYSO-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000606419024 1115941931 /nfs/dbraw/zinc/94/19/31/1115941931.db2.gz JGGVNCWGPGHXIH-OPAMFIHVSA-N -1 3 360.457 4.450 20 0 FIADHM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606650606 1115960814 /nfs/dbraw/zinc/96/08/14/1115960814.db2.gz SDKKEFINRVUDPZ-CQSZACIVSA-N -1 3 374.456 4.096 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(c2cccs2)CCCCC1 ZINC000606980706 1115990963 /nfs/dbraw/zinc/99/09/63/1115990963.db2.gz BZVNMWGQLVRPFO-UHFFFAOYSA-N -1 3 362.470 4.294 20 0 FIADHM Cc1ccc2cccc(C(=O)Nc3ccc(Br)cc3[O-])c2n1 ZINC000607334227 1116019714 /nfs/dbraw/zinc/01/97/14/1116019714.db2.gz SSKXYCOCMIRQMI-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM Cc1cccc2c(CC(=O)N=c3cc(-c4cccc(Cl)c4)[n-][nH]3)c[nH]c21 ZINC000607385187 1116021446 /nfs/dbraw/zinc/02/14/46/1116021446.db2.gz ODFSSZBJFYTGFI-UHFFFAOYSA-N -1 3 364.836 4.123 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3cc(F)c(F)c(F)c3)cc2)cc(=O)[n-]1 ZINC000607367661 1116023893 /nfs/dbraw/zinc/02/38/93/1116023893.db2.gz MZEQFEGSZCOCGK-UHFFFAOYSA-N -1 3 374.322 4.219 20 0 FIADHM COc1cc(C(=O)/C=C/c2cn(C)nc2-c2cc3ccccc3o2)ccc1[O-] ZINC000063277125 1116033630 /nfs/dbraw/zinc/03/36/30/1116033630.db2.gz VTENXURAURTSEM-CMDGGOBGSA-N -1 3 374.396 4.444 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc2cccc(F)c2o1 ZINC000607888603 1116073510 /nfs/dbraw/zinc/07/35/10/1116073510.db2.gz KWIOBIVJEPIVMN-UHFFFAOYSA-N -1 3 350.143 4.292 20 0 FIADHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc2ccccc21 ZINC000063640583 1116091180 /nfs/dbraw/zinc/09/11/80/1116091180.db2.gz YGHFOXFVZRTJRT-AWEZNQCLSA-N -1 3 369.442 4.129 20 0 FIADHM CCc1cc2c(CNC(C)(C)c3nc(C)c(C)s3)cc(=O)oc2cc1[O-] ZINC000173957763 1116101506 /nfs/dbraw/zinc/10/15/06/1116101506.db2.gz KKXCRGHZQPXPQX-UHFFFAOYSA-N -1 3 372.490 4.159 20 0 FIADHM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1csc(-c2ccccc2F)n1 ZINC000063745146 1116104790 /nfs/dbraw/zinc/10/47/90/1116104790.db2.gz XJEQHOVQOJQEGM-UHFFFAOYSA-N -1 3 371.422 4.048 20 0 FIADHM Cc1nc(COc2ccccc2C(=O)Nc2cccc([O-])c2F)cs1 ZINC000534946285 1116254990 /nfs/dbraw/zinc/25/49/90/1116254990.db2.gz MIMXDUMCCXVUOL-UHFFFAOYSA-N -1 3 358.394 4.128 20 0 FIADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1cccs1 ZINC000462491897 1116361041 /nfs/dbraw/zinc/36/10/41/1116361041.db2.gz SXEZNYLGRXNSTE-JTQLQIEISA-N -1 3 364.319 4.212 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@H]3C(C)C)cc2)cc1 ZINC000463229722 1118037867 /nfs/dbraw/zinc/03/78/67/1118037867.db2.gz DALZEEPQWPAAGL-RBUKOAKNSA-N -1 3 372.490 4.026 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)CC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000541262532 1118445179 /nfs/dbraw/zinc/44/51/79/1118445179.db2.gz MUWRDZURNFPVQY-CYBMUJFWSA-N -1 3 354.454 4.058 20 0 FIADHM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1ncccc1[O-] ZINC000302000745 1118591515 /nfs/dbraw/zinc/59/15/15/1118591515.db2.gz PHNOXVLMKFCXAQ-UHFFFAOYSA-N -1 3 369.424 4.492 20 0 FIADHM O=C(N[C@H](c1cccc(F)c1)C1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000465262204 1118906582 /nfs/dbraw/zinc/90/65/82/1118906582.db2.gz PXBCJAFSEQBYCB-NRFANRHFSA-N -1 3 364.420 4.329 20 0 FIADHM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000303457682 1118942962 /nfs/dbraw/zinc/94/29/62/1118942962.db2.gz KZAMGOBRDLGDPX-UHFFFAOYSA-N -1 3 370.412 4.020 20 0 FIADHM CC(C)(C)c1ncsc1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000177407337 1119328893 /nfs/dbraw/zinc/32/88/93/1119328893.db2.gz MAJAKOICTIFQAW-UHFFFAOYSA-N -1 3 358.492 4.135 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000177718374 1119347311 /nfs/dbraw/zinc/34/73/11/1119347311.db2.gz ZCYVIGVNTJOYKG-UHFFFAOYSA-N -1 3 374.849 4.200 20 0 FIADHM CC(C)c1ccc(/C=C\CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000494062158 1119532087 /nfs/dbraw/zinc/53/20/87/1119532087.db2.gz DNMCGGPSEZUEIS-SREVYHEPSA-N -1 3 372.490 4.224 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)oc4ccccc43)c2)n1 ZINC000185178789 1119646123 /nfs/dbraw/zinc/64/61/23/1119646123.db2.gz XBCLIRIJMQRGRE-UHFFFAOYSA-N -1 3 373.412 4.306 20 0 FIADHM [O-]c1cc(F)cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000185631052 1119677555 /nfs/dbraw/zinc/67/75/55/1119677555.db2.gz MKXOCDZEEVZTIC-UHFFFAOYSA-N -1 3 366.440 4.052 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(CC(F)(F)F)cc1 ZINC000189236303 1119870490 /nfs/dbraw/zinc/87/04/90/1119870490.db2.gz OBHVTZPSSQHUIK-UHFFFAOYSA-N -1 3 367.751 4.385 20 0 FIADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494615665 1119992327 /nfs/dbraw/zinc/99/23/27/1119992327.db2.gz KZRLQZHCLOUSQM-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc2c(ccnc2Cl)s1 ZINC001127308573 1120344574 /nfs/dbraw/zinc/34/45/74/1120344574.db2.gz SHBLUYOIZQNMFV-UHFFFAOYSA-N -1 3 373.850 4.116 20 0 FIADHM Cc1cc(=O)[n-]c(CSc2nnc(-c3ccccc3)c3ccccc32)n1 ZINC000761862569 1120557476 /nfs/dbraw/zinc/55/74/76/1120557476.db2.gz YJHRZIPTPFTRKN-UHFFFAOYSA-N -1 3 360.442 4.393 20 0 FIADHM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1ccccc1OCC(F)F ZINC000761908019 1120575526 /nfs/dbraw/zinc/57/55/26/1120575526.db2.gz LAUQBPPGROTNLR-KTKRTIGZSA-N -1 3 373.808 4.397 20 0 FIADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N(C)C1CCCCC1 ZINC000914891838 1120629979 /nfs/dbraw/zinc/62/99/79/1120629979.db2.gz OXDQDORNRULTLM-MRXNPFEDSA-N -1 3 362.495 4.202 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C4CCCC4)cc3)nc21 ZINC001127331217 1120648154 /nfs/dbraw/zinc/64/81/54/1120648154.db2.gz NTSDYTJRGFFWKP-UHFFFAOYSA-N -1 3 363.417 4.259 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC000303043977 1120728234 /nfs/dbraw/zinc/72/82/34/1120728234.db2.gz UDDYRHVIBIAOAA-UHFFFAOYSA-N -1 3 371.799 4.111 20 0 FIADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1Cc1ccccc1 ZINC000303410655 1120758002 /nfs/dbraw/zinc/75/80/02/1120758002.db2.gz RBUBDGUYGMCICN-UHFFFAOYSA-N -1 3 355.825 4.105 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1C ZINC000915186347 1120859997 /nfs/dbraw/zinc/85/99/97/1120859997.db2.gz TVBXGLJILBHIMK-UHFFFAOYSA-N -1 3 373.446 4.428 20 0 FIADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1C1CC1 ZINC000762476741 1120914479 /nfs/dbraw/zinc/91/44/79/1120914479.db2.gz QFAIWFGPJVLTGO-BSYHEUMXSA-N -1 3 363.458 4.283 20 0 FIADHM Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)ccc1-c1ccccc1 ZINC000762576182 1120931303 /nfs/dbraw/zinc/93/13/03/1120931303.db2.gz DXLNHBACMJJCEN-UHFFFAOYSA-N -1 3 371.396 4.190 20 0 FIADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000032084582 1121100442 /nfs/dbraw/zinc/10/04/42/1121100442.db2.gz BNVIRSLPMKNZSA-UHFFFAOYSA-N -1 3 372.490 4.034 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1C ZINC000032591648 1121111424 /nfs/dbraw/zinc/11/14/24/1121111424.db2.gz YVTVXUFVGTYGJO-UHFFFAOYSA-N -1 3 369.870 4.245 20 0 FIADHM COc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)c2ccccc2n1 ZINC000472208344 1121195782 /nfs/dbraw/zinc/19/57/82/1121195782.db2.gz FDOFDFKGTHJGNU-UHFFFAOYSA-N -1 3 358.397 4.032 20 0 FIADHM O=C(C[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1)c1cccs1 ZINC000472247586 1121201859 /nfs/dbraw/zinc/20/18/59/1121201859.db2.gz FOPRSAQFPFMTTN-MRXNPFEDSA-N -1 3 365.454 4.485 20 0 FIADHM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1cc([O-])c2ccccc2c1 ZINC000472436950 1121241493 /nfs/dbraw/zinc/24/14/93/1121241493.db2.gz KBQULMNAXUJDOX-KRWDZBQOSA-N -1 3 364.420 4.083 20 0 FIADHM C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000472503878 1121248795 /nfs/dbraw/zinc/24/87/95/1121248795.db2.gz QCYFEJJZLOJRGN-HNNXBMFYSA-N -1 3 366.486 4.126 20 0 FIADHM CCOc1ccc(-c2nc(CSCc3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000763208701 1121276635 /nfs/dbraw/zinc/27/66/35/1121276635.db2.gz NAOVGOZAVHAUII-UHFFFAOYSA-N -1 3 373.503 4.446 20 0 FIADHM Cc1cc(=O)[n-]c(CSCC(=O)Nc2ccc(-c3ccccc3)cc2)n1 ZINC000763210426 1121281408 /nfs/dbraw/zinc/28/14/08/1121281408.db2.gz YXGSFVXTUZETMO-UHFFFAOYSA-N -1 3 365.458 4.030 20 0 FIADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000055998912 1121292040 /nfs/dbraw/zinc/29/20/40/1121292040.db2.gz DGZWPMIZXAMQHX-OAQYLSRUSA-N -1 3 364.420 4.329 20 0 FIADHM Cc1cc(=O)[n-]c(CSCc2cc(=O)oc3cc(C)c(C(C)C)cc23)n1 ZINC000763218382 1121293908 /nfs/dbraw/zinc/29/39/08/1121293908.db2.gz WGVUQJBXVVNFAP-UHFFFAOYSA-N -1 3 370.474 4.462 20 0 FIADHM CC(C)(C)c1nn(-c2ccccc2Cl)cc1C=Cc1nccc(=O)[n-]1 ZINC000763292242 1121319353 /nfs/dbraw/zinc/31/93/53/1121319353.db2.gz KEZULYYSCHAZHJ-HJWRWDBZSA-N -1 3 354.841 4.489 20 0 FIADHM O=C([N-][C@@H](c1ccccc1)c1cccnc1)C(F)(F)c1ccccc1F ZINC000765772215 1121617549 /nfs/dbraw/zinc/61/75/49/1121617549.db2.gz QMGIAVQUCJGCSY-SFHVURJKSA-N -1 3 356.347 4.218 20 0 FIADHM Cc1ccc(-c2ccsc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000123624110 1121619847 /nfs/dbraw/zinc/61/98/47/1121619847.db2.gz BEMJSKRXGTXAIQ-UHFFFAOYSA-N -1 3 361.430 4.156 20 0 FIADHM Cc1ccc(-c2ccsc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000123624110 1121619850 /nfs/dbraw/zinc/61/98/50/1121619850.db2.gz BEMJSKRXGTXAIQ-UHFFFAOYSA-N -1 3 361.430 4.156 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1SCCc2ccccc21 ZINC000125341175 1121770470 /nfs/dbraw/zinc/77/04/70/1121770470.db2.gz DQJOLRZASAOMOH-OAHLLOKOSA-N -1 3 353.365 4.380 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2nc(-c3ccccc3C)no2)n1 ZINC000125738559 1121821084 /nfs/dbraw/zinc/82/10/84/1121821084.db2.gz GLLILPXGQYWPAT-GFCCVEGCSA-N -1 3 356.451 4.097 20 0 FIADHM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Br)cc1[O-] ZINC000125984853 1121902872 /nfs/dbraw/zinc/90/28/72/1121902872.db2.gz VYXQYIPUICEVJH-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM Cc1nc2cc(CNC(=O)c3cc([O-])c4ccccc4c3)ccc2n1C1CC1 ZINC000510783437 1121927940 /nfs/dbraw/zinc/92/79/40/1121927940.db2.gz YCUTZGOFDYPCJK-UHFFFAOYSA-N -1 3 371.440 4.468 20 0 FIADHM Cc1ccnc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc12 ZINC000671784960 1121973256 /nfs/dbraw/zinc/97/32/56/1121973256.db2.gz PAHJBPLEDCULHU-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)cc1C ZINC000126758907 1121984418 /nfs/dbraw/zinc/98/44/18/1121984418.db2.gz SQSTZPGJXARMKG-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM O[C@@H](CSc1nnc([N-]c2ccccc2F)s1)c1cccc(F)c1 ZINC000051183536 1122020437 /nfs/dbraw/zinc/02/04/37/1122020437.db2.gz XYCCHDKPNLBTCN-AWEZNQCLSA-N -1 3 365.430 4.386 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000128289691 1122224916 /nfs/dbraw/zinc/22/49/16/1122224916.db2.gz BPEVLZPVGMROAV-UHFFFAOYSA-N -1 3 374.375 4.031 20 0 FIADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000055674518 1122260875 /nfs/dbraw/zinc/26/08/75/1122260875.db2.gz CBGXQWBHAZKQTL-UHFFFAOYSA-N -1 3 360.479 4.186 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000497672677 1122349792 /nfs/dbraw/zinc/34/97/92/1122349792.db2.gz OHUNAAYBTMMRFS-OAHLLOKOSA-N -1 3 360.404 4.150 20 0 FIADHM Cc1ccc(OCCC(=O)Nc2cccc([O-])c2F)c(Br)c1 ZINC000128600510 1122357125 /nfs/dbraw/zinc/35/71/25/1122357125.db2.gz VGFHEDLTSNLTJA-UHFFFAOYSA-N -1 3 368.202 4.010 20 0 FIADHM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc([O-])c1F ZINC000128692368 1122377584 /nfs/dbraw/zinc/37/75/84/1122377584.db2.gz YXYKBLIXORMXGB-VIFPVBQESA-N -1 3 370.193 4.250 20 0 FIADHM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cccc([O-])c1F ZINC000128906454 1122457738 /nfs/dbraw/zinc/45/77/38/1122457738.db2.gz ORPUTBWUSCPAFB-UHFFFAOYSA-N -1 3 353.397 4.267 20 0 FIADHM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000497947242 1122484898 /nfs/dbraw/zinc/48/48/98/1122484898.db2.gz DSPVANXGCSSZQY-UHFFFAOYSA-N -1 3 371.380 4.295 20 0 FIADHM Cc1c([O-])ccc2c(CNc3cccc(OCC(C)C)c3)cc(=O)oc12 ZINC000917938790 1122492733 /nfs/dbraw/zinc/49/27/33/1122492733.db2.gz NHWMVQIKYCRJFE-UHFFFAOYSA-N -1 3 353.418 4.454 20 0 FIADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)ccc1NC(=O)c1cccs1 ZINC000129206093 1122555569 /nfs/dbraw/zinc/55/55/69/1122555569.db2.gz XIIRZHXQXHJKFU-UHFFFAOYSA-N -1 3 370.405 4.406 20 0 FIADHM O=C(Nc1cccc(C(=O)Nc2cccc([O-])c2F)c1)c1cccs1 ZINC000129452402 1122603692 /nfs/dbraw/zinc/60/36/92/1122603692.db2.gz RUDNWIOMIMVRPG-UHFFFAOYSA-N -1 3 356.378 4.097 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2Nc2c(F)cccc2F)[n-]1 ZINC000498417939 1122786506 /nfs/dbraw/zinc/78/65/06/1122786506.db2.gz WHZAVWPZIYAUQQ-UHFFFAOYSA-N -1 3 371.343 4.075 20 0 FIADHM Cc1c(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c2ccccc2n1C ZINC000556303506 1122792790 /nfs/dbraw/zinc/79/27/90/1122792790.db2.gz HKPWIIUKZDAHKZ-UHFFFAOYSA-N -1 3 366.845 4.388 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc(-c4ccccc4)oc3C)n[n-]2)o1 ZINC000919328316 1122952696 /nfs/dbraw/zinc/95/26/96/1122952696.db2.gz BIOGNVOCZJZLHX-UHFFFAOYSA-N -1 3 363.373 4.299 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc(-c4ccccc4)oc3C)[n-]n2)o1 ZINC000919328316 1122952699 /nfs/dbraw/zinc/95/26/99/1122952699.db2.gz BIOGNVOCZJZLHX-UHFFFAOYSA-N -1 3 363.373 4.299 20 0 FIADHM CCCC[C@H](CCC)Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000609295965 1122965539 /nfs/dbraw/zinc/96/55/39/1122965539.db2.gz SWVWLJDYJGFPRG-LBPRGKRZSA-N -1 3 363.483 4.276 20 0 FIADHM CCc1cccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1O ZINC000919402919 1122992789 /nfs/dbraw/zinc/99/27/89/1122992789.db2.gz HEZWKAQGFGSMKH-JTQLQIEISA-N -1 3 372.446 4.200 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C)c(C)c3O)nc(=O)c2c1C ZINC000919545737 1123038867 /nfs/dbraw/zinc/03/88/67/1123038867.db2.gz QPUCZXYTVHQCBW-NSHDSACASA-N -1 3 372.446 4.254 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1nc2ccccc2s1)C1CC1 ZINC000919747627 1123119596 /nfs/dbraw/zinc/11/95/96/1123119596.db2.gz OLKHUUJMRZWQQM-UHFFFAOYSA-N -1 3 371.437 4.015 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2C)c1[O-] ZINC000556894359 1123170848 /nfs/dbraw/zinc/17/08/48/1123170848.db2.gz ZGFGRFDIOPLZCX-UHFFFAOYSA-N -1 3 352.415 4.279 20 0 FIADHM COc1ccc(-c2csc3[n-]c(-c4ccc(Cl)cn4)nc(=O)c23)cc1 ZINC000132813874 1123364268 /nfs/dbraw/zinc/36/42/68/1123364268.db2.gz RGTOZGFYDUXEMU-UHFFFAOYSA-N -1 3 369.833 4.376 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(F)c4c3C(=O)C[C@@H]4C)n[n-]2)o1 ZINC000920154918 1123381017 /nfs/dbraw/zinc/38/10/17/1123381017.db2.gz UOKFRFHOJZYOJF-VIFPVBQESA-N -1 3 354.337 4.026 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(F)c4c3C(=O)C[C@@H]4C)[n-]n2)o1 ZINC000920154918 1123381023 /nfs/dbraw/zinc/38/10/23/1123381023.db2.gz UOKFRFHOJZYOJF-VIFPVBQESA-N -1 3 354.337 4.026 20 0 FIADHM CCC/C(C)=C\C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000920288471 1123439659 /nfs/dbraw/zinc/43/96/59/1123439659.db2.gz WFHKLAWDNYYHAT-PEZBUJJGSA-N -1 3 372.490 4.481 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc4c3CCC4)nc(=O)c2c1C ZINC000920677886 1123499906 /nfs/dbraw/zinc/49/99/06/1123499906.db2.gz MBUBMGNYGSNSRI-NSHDSACASA-N -1 3 368.458 4.420 20 0 FIADHM O=C([N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)C(F)(F)c1ccc(F)cc1 ZINC000920844073 1123527894 /nfs/dbraw/zinc/52/78/94/1123527894.db2.gz PXGXILBGXQRFIX-DLBZAZTESA-N -1 3 367.342 4.093 20 0 FIADHM O=C([N-][C@@H](c1ccccc1)c1ccncc1)C(F)(F)c1ccc(F)cc1 ZINC000920843242 1123527957 /nfs/dbraw/zinc/52/79/57/1123527957.db2.gz YRKKXYMRGWPQMD-SFHVURJKSA-N -1 3 356.347 4.218 20 0 FIADHM O=C([N-]Cc1ncc(-c2ccccc2)o1)C(F)(F)c1cccc(Cl)c1 ZINC000921024702 1123550363 /nfs/dbraw/zinc/55/03/63/1123550363.db2.gz DUXQJNKYFMNJDP-UHFFFAOYSA-N -1 3 362.763 4.403 20 0 FIADHM COc1ccc(SCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134197427 1123603885 /nfs/dbraw/zinc/60/38/85/1123603885.db2.gz QRAFGOYCWTVZEI-UHFFFAOYSA-N -1 3 357.353 4.150 20 0 FIADHM C[C@@H](Sc1ncc[nH]1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000079005834 1123831371 /nfs/dbraw/zinc/83/13/71/1123831371.db2.gz HKVJKUKQVKQLPO-MRVPVSSYSA-N -1 3 360.489 4.290 20 0 FIADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000615232526 1123956269 /nfs/dbraw/zinc/95/62/69/1123956269.db2.gz QODGLATUHLWBOX-UHFFFAOYSA-N -1 3 359.278 4.169 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC[C@H](C)c3ccccc3)cc2)n1 ZINC000138038773 1124009061 /nfs/dbraw/zinc/00/90/61/1124009061.db2.gz JBILNGOKAQFAPA-HNNXBMFYSA-N -1 3 361.445 4.268 20 0 FIADHM CCOC(=O)c1cccc(N(CC)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000615720042 1124106106 /nfs/dbraw/zinc/10/61/06/1124106106.db2.gz DUHNDZRDHPTOFO-UHFFFAOYSA-N -1 3 373.424 4.084 20 0 FIADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616327809 1124288151 /nfs/dbraw/zinc/28/81/51/1124288151.db2.gz CCJUZKXBQZEXEE-UWJYYQICSA-N -1 3 360.457 4.327 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(OCC)c2)cc1 ZINC000007050916 1124858694 /nfs/dbraw/zinc/85/86/94/1124858694.db2.gz LZVFJNOPOMBONG-UHFFFAOYSA-N -1 3 363.479 4.237 20 0 FIADHM CCc1onc(C)c1[N-]C(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000089451495 1124909385 /nfs/dbraw/zinc/90/93/85/1124909385.db2.gz DGBHPIMKRQPUAL-UHFFFAOYSA-N -1 3 358.423 4.006 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3NC(C)(C)C)c[n-]c12 ZINC000672250959 1124923850 /nfs/dbraw/zinc/92/38/50/1124923850.db2.gz ZLTRCLZOIRIKSG-UHFFFAOYSA-N -1 3 367.424 4.438 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 ZINC000064343125 1124990282 /nfs/dbraw/zinc/99/02/82/1124990282.db2.gz QBWKMWPKJAPIMJ-UHFFFAOYSA-N -1 3 374.227 4.304 20 0 FIADHM O=C([N-]c1cccc2oc(C(F)(F)F)nc21)c1cc(-c2ccccn2)no1 ZINC000499549468 1125139183 /nfs/dbraw/zinc/13/91/83/1125139183.db2.gz VQEBCDNJGGBUBJ-UHFFFAOYSA-N -1 3 374.278 4.149 20 0 FIADHM Cc1sc(NC(=O)c2c[n-]c3ccccc3c2=O)nc1-c1ccccc1 ZINC000618777885 1125275490 /nfs/dbraw/zinc/27/54/90/1125275490.db2.gz RKGYCAIWSMRYLH-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM COC(=O)c1c(Nc2cc(F)cc(F)c2[O-])scc1C(F)(F)F ZINC001212482079 1125311245 /nfs/dbraw/zinc/31/12/45/1125311245.db2.gz ZJBJFOVSRNKBCQ-UHFFFAOYSA-N -1 3 353.268 4.281 20 0 FIADHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000672889732 1125343768 /nfs/dbraw/zinc/34/37/68/1125343768.db2.gz SIKAXYHNOLXQRA-UHFFFAOYSA-N -1 3 350.189 4.003 20 0 FIADHM C[C@H](c1ccco1)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000122994503 209360186 /nfs/dbraw/zinc/36/01/86/209360186.db2.gz WSTZXCOSRRXBRF-CYBMUJFWSA-N -1 3 365.458 4.438 20 0 FIADHM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000109190496 209300352 /nfs/dbraw/zinc/30/03/52/209300352.db2.gz JDZDOIVDOXTIKM-UHFFFAOYSA-N -1 3 364.489 4.143 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2cc(Cl)ccc21)c1cccc2c1N=S=N2 ZINC000108923854 209294943 /nfs/dbraw/zinc/29/49/43/209294943.db2.gz HNXIZZWXKJSIFZ-LBPRGKRZSA-N -1 3 365.867 4.032 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(C)c1 ZINC000108439740 209287075 /nfs/dbraw/zinc/28/70/75/209287075.db2.gz SLQPMSFXZWOMEM-UHFFFAOYSA-N -1 3 362.470 4.152 20 0 FIADHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000016101572 206744986 /nfs/dbraw/zinc/74/49/86/206744986.db2.gz HEDJRCQPEYCGRX-UHFFFAOYSA-N -1 3 374.506 4.360 20 0 FIADHM C[C@@H]1C[C@@H](C)CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000007503611 207197303 /nfs/dbraw/zinc/19/73/03/207197303.db2.gz QWLSCQCYWQGTJK-ZIAGYGMSSA-N -1 3 353.491 4.130 20 0 FIADHM CC(=O)CCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000185391863 567840038 /nfs/dbraw/zinc/84/00/38/567840038.db2.gz QXCXDFFTNVXCSF-UHFFFAOYSA-N -1 3 354.431 4.367 20 0 FIADHM O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc([O-])ccc1C(F)(F)F ZINC000188620807 567996838 /nfs/dbraw/zinc/99/68/38/567996838.db2.gz ZLYXYOVRQGILQM-UHFFFAOYSA-N -1 3 373.714 4.088 20 0 FIADHM Cc1cccc(-c2nc(C(C)C)no2)c1[N-]C(=O)c1ocnc1C(F)F ZINC000636784594 568070440 /nfs/dbraw/zinc/07/04/40/568070440.db2.gz DVRGXJKKHNYCFY-UHFFFAOYSA-N -1 3 362.336 4.346 20 0 FIADHM Cc1ccc(NC(=O)CSCc2ccc(Br)cc2)c([O-])c1 ZINC000603503527 568109248 /nfs/dbraw/zinc/10/92/48/568109248.db2.gz ZOVDIURECAEFRF-UHFFFAOYSA-N -1 3 366.280 4.335 20 0 FIADHM CC(C)c1cc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])on1 ZINC000603967628 568191436 /nfs/dbraw/zinc/19/14/36/568191436.db2.gz VIFAUNNXCSCIMY-UHFFFAOYSA-N -1 3 350.418 4.024 20 0 FIADHM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000604266517 568237374 /nfs/dbraw/zinc/23/73/74/568237374.db2.gz JXKRBEVWPRCIJY-RHSMWYFYSA-N -1 3 372.465 4.162 20 0 FIADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000604747547 568356531 /nfs/dbraw/zinc/35/65/31/568356531.db2.gz AUCFQWROZPWHBK-UHFFFAOYSA-N -1 3 362.429 4.492 20 0 FIADHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1cnc2ccccc2c1[O-] ZINC000604747547 568356532 /nfs/dbraw/zinc/35/65/32/568356532.db2.gz AUCFQWROZPWHBK-UHFFFAOYSA-N -1 3 362.429 4.492 20 0 FIADHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1cccs1)c1ccccc1F ZINC000604889919 568381676 /nfs/dbraw/zinc/38/16/76/568381676.db2.gz GOJLNAHUYJHEMY-INIZCTEOSA-N -1 3 361.463 4.150 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc(F)c(F)cc3Cl)[nH][n-]2)c1 ZINC000604901388 568384779 /nfs/dbraw/zinc/38/47/79/568384779.db2.gz DBQWWRISBGGVJM-UHFFFAOYSA-N -1 3 361.779 4.299 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2cccc(Nc3ncccn3)c2)c1[O-] ZINC000604901955 568385099 /nfs/dbraw/zinc/38/50/99/568385099.db2.gz KHFBBJMWXDQTMY-UHFFFAOYSA-N -1 3 354.797 4.140 20 0 FIADHM Clc1ccc(Cl)c(OCCSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000604932908 568395322 /nfs/dbraw/zinc/39/53/22/568395322.db2.gz ACDCQOLPZZLPPY-UHFFFAOYSA-N -1 3 367.261 4.345 20 0 FIADHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000007376035 568503632 /nfs/dbraw/zinc/50/36/32/568503632.db2.gz XPXYDTPNYIDYGJ-UHFFFAOYSA-N -1 3 364.681 4.168 20 0 FIADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cc2cc(F)ccc2o1 ZINC000605091999 568561933 /nfs/dbraw/zinc/56/19/33/568561933.db2.gz GIBRRJOFCMTVNP-UHFFFAOYSA-N -1 3 371.368 4.406 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000619136052 1125502731 /nfs/dbraw/zinc/50/27/31/1125502731.db2.gz BZCXRSIJYHVHFN-MRXNPFEDSA-N -1 3 371.440 4.029 20 0 FIADHM CC[C@@H]1c2ccccc2CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000114492670 1125542515 /nfs/dbraw/zinc/54/25/15/1125542515.db2.gz ZOXFCHIKYSKTML-QGZVFWFLSA-N -1 3 359.429 4.179 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000094071750 1125556605 /nfs/dbraw/zinc/55/66/05/1125556605.db2.gz XQSWRVOUSVVRPG-LJQANCHMSA-N -1 3 361.445 4.074 20 0 FIADHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccc(Cl)n1 ZINC000182771024 1125618312 /nfs/dbraw/zinc/61/83/12/1125618312.db2.gz LWRGXUVMRKYTNP-VIFPVBQESA-N -1 3 368.607 4.003 20 0 FIADHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1 ZINC000182754266 1125620688 /nfs/dbraw/zinc/62/06/88/1125620688.db2.gz XPKSHRHRJPTWDG-HNNXBMFYSA-N -1 3 355.825 4.039 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000471125968 1079754460 /nfs/dbraw/zinc/75/44/60/1079754460.db2.gz XAJKKVMLQCCHKE-UHFFFAOYSA-N -1 3 359.300 4.098 20 0 FIADHM CC[C@@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC ZINC000683173074 1079808940 /nfs/dbraw/zinc/80/89/40/1079808940.db2.gz JKUUBFMUHNBNPJ-VFNWGFHPSA-N -1 3 371.477 4.405 20 0 FIADHM Cc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000683174362 1079811705 /nfs/dbraw/zinc/81/17/05/1079811705.db2.gz NJGWITGJPKOQAY-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM O=C([O-])c1cccc(CNCc2ccc(Cl)c(Br)c2)c1 ZINC000683176833 1079827876 /nfs/dbraw/zinc/82/78/76/1079827876.db2.gz SVERINLLPXQGIL-UHFFFAOYSA-N -1 3 354.631 4.091 20 0 FIADHM CC(C)[C@@H]1CCc2nc([N-]C(=O)c3ncoc3C(F)(F)F)sc2C1 ZINC000890592230 1080011323 /nfs/dbraw/zinc/01/13/23/1080011323.db2.gz APAJKBNJGNHSJO-MRVPVSSYSA-N -1 3 359.373 4.163 20 0 FIADHM COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)cc(Cl)c1[O-] ZINC000069267634 1080144047 /nfs/dbraw/zinc/14/40/47/1080144047.db2.gz IXAQXLFNZWMLNS-SFHVURJKSA-N -1 3 360.841 4.277 20 0 FIADHM COc1cc(C(=O)N2CCCCC[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000179486051 1080185539 /nfs/dbraw/zinc/18/55/39/1080185539.db2.gz BDUFAYATDWAJEK-KRWDZBQOSA-N -1 3 355.434 4.167 20 0 FIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cccc(C(F)(F)F)c1 ZINC000180285803 1080475398 /nfs/dbraw/zinc/47/53/98/1080475398.db2.gz PHFHAXNIGFOOBK-UHFFFAOYSA-N -1 3 371.167 4.208 20 0 FIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1 ZINC000180288480 1080475636 /nfs/dbraw/zinc/47/56/36/1080475636.db2.gz YVPOTQYYJZUTLY-UHFFFAOYSA-N -1 3 371.167 4.208 20 0 FIADHM CC(C)[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)c2ccccc2N1 ZINC000471278484 1080793704 /nfs/dbraw/zinc/79/37/04/1080793704.db2.gz PCLMYJUOEBZXHJ-SFHVURJKSA-N -1 3 356.441 4.337 20 0 FIADHM CCCCCCN(Cc1ccco1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000890936194 1081111626 /nfs/dbraw/zinc/11/16/26/1081111626.db2.gz JEYJQGXUYIWWPE-UHFFFAOYSA-N -1 3 352.434 4.344 20 0 FIADHM Cc1cc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)nn1C1CCCCC1 ZINC001648837791 1081280303 /nfs/dbraw/zinc/28/03/03/1081280303.db2.gz ZKURBQBBPNBRBJ-UHFFFAOYSA-N -1 3 364.449 4.099 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000580035014 1081503912 /nfs/dbraw/zinc/50/39/12/1081503912.db2.gz DTXWWBQSVABKRS-WCQYABFASA-N -1 3 368.264 4.012 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3C)c2)n1 ZINC000129397199 1081544275 /nfs/dbraw/zinc/54/42/75/1081544275.db2.gz ORBQZOUGJHEQHT-VQTJNVASSA-N -1 3 373.456 4.050 20 0 FIADHM CC(C)n1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cn1 ZINC000580225197 1081763433 /nfs/dbraw/zinc/76/34/33/1081763433.db2.gz GKPLAUKGYCFWQK-UHFFFAOYSA-N -1 3 351.406 4.001 20 0 FIADHM CCOC(=O)c1cc(Nc2cccc([O-])c2Cl)n(-c2ccccc2)n1 ZINC001210853797 1081778163 /nfs/dbraw/zinc/77/81/63/1081778163.db2.gz KEERACUYQCJQRD-UHFFFAOYSA-N -1 3 357.797 4.152 20 0 FIADHM O=C(NCc1ccc(OC2CCCCC2)nc1)c1cc([O-])ccc1Cl ZINC000580456351 1081954465 /nfs/dbraw/zinc/95/44/65/1081954465.db2.gz XBUUKOFZUQBNNZ-UHFFFAOYSA-N -1 3 360.841 4.082 20 0 FIADHM O=C(C/C=C\c1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000255711009 1082097624 /nfs/dbraw/zinc/09/76/24/1082097624.db2.gz GMPHKQBZDNOAPR-RQOWECAXSA-N -1 3 364.214 4.014 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CCCc3cccnc3)nc2)n1 ZINC000413405541 1082138728 /nfs/dbraw/zinc/13/87/28/1082138728.db2.gz YFQIYHWRYPORPF-OAHLLOKOSA-N -1 3 363.465 4.025 20 0 FIADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000055638793 1082158582 /nfs/dbraw/zinc/15/85/82/1082158582.db2.gz HGHFUCQIFTXUMC-UHFFFAOYSA-N -1 3 360.479 4.151 20 0 FIADHM CC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)c1[O-] ZINC000580855502 1082192580 /nfs/dbraw/zinc/19/25/80/1082192580.db2.gz QLFITUBGZNISOT-UHFFFAOYSA-N -1 3 359.372 4.324 20 0 FIADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000581093110 1082306521 /nfs/dbraw/zinc/30/65/21/1082306521.db2.gz FZDCPXPOUDAREG-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM O=C(CSCc1coc(-c2ccccc2)n1)Nc1cccc([O-])c1F ZINC000128197919 1082310433 /nfs/dbraw/zinc/31/04/33/1082310433.db2.gz LBVCOJKINLEMCQ-UHFFFAOYSA-N -1 3 358.394 4.058 20 0 FIADHM O=C(OCc1csc(-c2ccccc2F)n1)c1cc(-c2ccco2)[n-]n1 ZINC000728323935 1082416753 /nfs/dbraw/zinc/41/67/53/1082416753.db2.gz UDPTYLZINPIQBG-UHFFFAOYSA-N -1 3 369.377 4.289 20 0 FIADHM O=C(OCc1csc(-c2ccccc2F)n1)c1cc(-c2ccco2)n[n-]1 ZINC000728323935 1082416757 /nfs/dbraw/zinc/41/67/57/1082416757.db2.gz UDPTYLZINPIQBG-UHFFFAOYSA-N -1 3 369.377 4.289 20 0 FIADHM COc1ccccc1/C=C/CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000124037248 1082561542 /nfs/dbraw/zinc/56/15/42/1082561542.db2.gz PBGSIPZUAPXFTF-GQCTYLIASA-N -1 3 351.446 4.009 20 0 FIADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1ccc(Cl)cc1Br ZINC000656568212 1082585256 /nfs/dbraw/zinc/58/52/56/1082585256.db2.gz YVLDESKQTHYNDG-RISCZKNCSA-N -1 3 374.706 4.472 20 0 FIADHM CCn1nccc1CN[C@@H](c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000656569898 1082595320 /nfs/dbraw/zinc/59/53/20/1082595320.db2.gz KROSJMMKUGDWDD-HNNXBMFYSA-N -1 3 370.280 4.152 20 0 FIADHM Cc1ccc(OC2CCN([C@@H](C(=O)[O-])c3ccccc3F)CC2)cc1C ZINC000581553188 1082660976 /nfs/dbraw/zinc/66/09/76/1082660976.db2.gz GEWPIWOQYHRWKV-HXUWFJFHSA-N -1 3 357.425 4.112 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656765191 1082757717 /nfs/dbraw/zinc/75/77/17/1082757717.db2.gz MKTMRKVTRUIYQL-ARFHVFGLSA-N -1 3 362.520 4.337 20 0 FIADHM Cc1csc([C@H]([N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)C2CC2)n1 ZINC000933510916 1082931687 /nfs/dbraw/zinc/93/16/87/1082931687.db2.gz ZCSCJFHJEIDORF-GFCCVEGCSA-N -1 3 371.840 4.168 20 0 FIADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccccc1Oc1ccccc1 ZINC000471836462 1083086027 /nfs/dbraw/zinc/08/60/27/1083086027.db2.gz QJGVFJOHWDEJCN-HNNXBMFYSA-N -1 3 363.417 4.140 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)c1[O-] ZINC000548387104 1083194157 /nfs/dbraw/zinc/19/41/57/1083194157.db2.gz VGKSQBXXRWIXQB-UHFFFAOYSA-N -1 3 374.393 4.349 20 0 FIADHM CCc1nc(C(=O)[N-]c2nnc([C@@H](CC)c3ccccc3)s2)c(C)o1 ZINC000510675633 1083231130 /nfs/dbraw/zinc/23/11/30/1083231130.db2.gz RAXNKHCJYTZAHZ-ZDUSSCGKSA-N -1 3 356.451 4.191 20 0 FIADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(CC(F)(F)F)cc1 ZINC000431171485 1083375500 /nfs/dbraw/zinc/37/55/00/1083375500.db2.gz YSNZKZGPHFBZKH-UHFFFAOYSA-N -1 3 369.286 4.010 20 0 FIADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000133123564 1083459458 /nfs/dbraw/zinc/45/94/58/1083459458.db2.gz NMKHIEKWUSGKBF-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM CCOc1ccccc1[C@@H](CC)NCc1cc(=O)oc2cc([O-])ccc12 ZINC000179742458 1083620880 /nfs/dbraw/zinc/62/08/80/1083620880.db2.gz IXDORGJUPVSHFG-GOSISDBHSA-N -1 3 353.418 4.138 20 0 FIADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(SC)ccc1[O-])CCC2 ZINC000612471777 1083833593 /nfs/dbraw/zinc/83/35/93/1083833593.db2.gz DDXHLJIZLTXTIE-AWEZNQCLSA-N -1 3 362.520 4.283 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCCC[C@@H](C)C(=O)[O-] ZINC000277175139 1083945686 /nfs/dbraw/zinc/94/56/86/1083945686.db2.gz DXEYHPXFPTZPSO-LLVKDONJSA-N -1 3 370.280 4.078 20 0 FIADHM Cc1ccc(C[C@@H](CNCc2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000277214844 1084026321 /nfs/dbraw/zinc/02/63/21/1084026321.db2.gz HKCSBROKFNSQJC-AWEZNQCLSA-N -1 3 352.261 4.335 20 0 FIADHM CO[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000612755113 1084046680 /nfs/dbraw/zinc/04/66/80/1084046680.db2.gz AFVPLCBTSZVXHK-TZMCWYRMSA-N -1 3 368.458 4.423 20 0 FIADHM C[C@H]1[C@H](c2ccccc2)CCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000570403218 1084103963 /nfs/dbraw/zinc/10/39/63/1084103963.db2.gz KKLGNLZZPQFPOE-MGPUTAFESA-N -1 3 362.429 4.418 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1(F)CCOCC1 ZINC000866866117 1084154840 /nfs/dbraw/zinc/15/48/40/1084154840.db2.gz XFIASRDVXAATQX-UHFFFAOYSA-N -1 3 372.421 4.126 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C(C)(C)C)cc2)cc(=O)[n-]1 ZINC000431700935 1084180924 /nfs/dbraw/zinc/18/09/24/1084180924.db2.gz YRMAGDBOKKYEOX-UHFFFAOYSA-N -1 3 356.470 4.351 20 0 FIADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000014257266 1084388716 /nfs/dbraw/zinc/38/87/16/1084388716.db2.gz PDDKAWSPWRYRKK-UHFFFAOYSA-N -1 3 374.506 4.012 20 0 FIADHM O=C(Nc1ncc(Cc2ccccc2F)s1)c1cc([O-])ccc1Cl ZINC000431749482 1084390879 /nfs/dbraw/zinc/39/08/79/1084390879.db2.gz CRXQJLRFIRCZQY-UHFFFAOYSA-N -1 3 362.813 4.484 20 0 FIADHM CN(C)c1ccc(NC(=O)c2cc([O-])ccc2Cl)c(C(F)(F)F)c1 ZINC000431349432 1084576503 /nfs/dbraw/zinc/57/65/03/1084576503.db2.gz IAVJRGCULNDXLA-UHFFFAOYSA-N -1 3 358.747 4.383 20 0 FIADHM CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000332721401 1084788473 /nfs/dbraw/zinc/78/84/73/1084788473.db2.gz ZKSLCGKQWCEWBU-WMLDXEAASA-N -1 3 354.454 4.248 20 0 FIADHM CCCO[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000582246969 1084793491 /nfs/dbraw/zinc/79/34/91/1084793491.db2.gz WYJIACOYPBPAEE-CZUORRHYSA-N -1 3 360.281 4.400 20 0 FIADHM CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)no1 ZINC000329978952 1084843332 /nfs/dbraw/zinc/84/33/32/1084843332.db2.gz IOMPJBFHKCNQDC-INIZCTEOSA-N -1 3 351.406 4.029 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000582470795 1085053084 /nfs/dbraw/zinc/05/30/84/1085053084.db2.gz ICLSYRRJNCNZLA-HXUWFJFHSA-N -1 3 364.445 4.108 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000134273207 1085061026 /nfs/dbraw/zinc/06/10/26/1085061026.db2.gz LEFHWTTXVJSVIR-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000277652656 1085072863 /nfs/dbraw/zinc/07/28/63/1085072863.db2.gz KYQGYLOVMGBONL-JTQLQIEISA-N -1 3 364.776 4.402 20 0 FIADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000548746273 1085286473 /nfs/dbraw/zinc/28/64/73/1085286473.db2.gz PVDUDMCNTVSAKV-GOSISDBHSA-N -1 3 363.413 4.198 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000560425522 1085360290 /nfs/dbraw/zinc/36/02/90/1085360290.db2.gz CZNCWPDYLNFVIO-HTQZYQBOSA-N -1 3 352.150 4.072 20 0 FIADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(Cl)cc(F)cc1Cl ZINC000277817391 1085451238 /nfs/dbraw/zinc/45/12/38/1085451238.db2.gz YOOCTQXVDTWQGH-UHFFFAOYSA-N -1 3 357.216 4.482 20 0 FIADHM COc1ccccc1-c1nc(C(=O)[N-]c2nnc(C(C)C)s2)cs1 ZINC000109452201 1085672732 /nfs/dbraw/zinc/67/27/32/1085672732.db2.gz FDXPBHJPBJYQRZ-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2nc(-c3ccc(F)cc3)c[nH]2)c1 ZINC000473131018 1085723618 /nfs/dbraw/zinc/72/36/18/1085723618.db2.gz FNGLRQHVMHXBFO-LJQANCHMSA-N -1 3 355.388 4.398 20 0 FIADHM Cc1nc2ccccc2nc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000023055634 1085739048 /nfs/dbraw/zinc/73/90/48/1085739048.db2.gz NRWOCWBQXSKCCL-UHFFFAOYSA-N -1 3 364.426 4.351 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCC(F)(F)CC1 ZINC000628025028 1085788866 /nfs/dbraw/zinc/78/88/66/1085788866.db2.gz LRCQGAQZRNTHMF-VIFPVBQESA-N -1 3 362.214 4.099 20 0 FIADHM COc1ccc(CN(C)Cc2c3ccccc3sc2C(=O)[O-])cc1OC ZINC000652373301 1085963407 /nfs/dbraw/zinc/96/34/07/1085963407.db2.gz MXVVRUFQPCPGED-UHFFFAOYSA-N -1 3 371.458 4.249 20 0 FIADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)ccc2o1 ZINC000582972955 1085979871 /nfs/dbraw/zinc/97/98/71/1085979871.db2.gz LVJJMKIUWCCBFB-UHFFFAOYSA-N -1 3 366.421 4.042 20 0 FIADHM Cc1oc(CN(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000652432016 1086040806 /nfs/dbraw/zinc/04/08/06/1086040806.db2.gz BJSSYYCPKOKFEG-SNVBAGLBSA-N -1 3 372.248 4.492 20 0 FIADHM O=C([O-])CCN(Cc1csc(-c2ccc(Cl)cc2)n1)CC1CC1 ZINC000652467609 1086087089 /nfs/dbraw/zinc/08/70/89/1086087089.db2.gz FGXYIZWUVUMFSA-UHFFFAOYSA-N -1 3 350.871 4.150 20 0 FIADHM O=C([N-]Cc1coc(-c2cccs2)n1)C(F)(F)c1cccc(Cl)c1 ZINC000147526609 1086214798 /nfs/dbraw/zinc/21/47/98/1086214798.db2.gz ZQWMZXLAOYJDOA-UHFFFAOYSA-N -1 3 368.792 4.465 20 0 FIADHM [O-]c1c(F)cc(Nc2cnc3c(Br)cccc3n2)cc1F ZINC001213377436 1086218378 /nfs/dbraw/zinc/21/83/78/1086218378.db2.gz OVWSBHODXVGTKU-UHFFFAOYSA-N -1 3 352.138 4.120 20 0 FIADHM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc2C)n1 ZINC000150801422 1086345708 /nfs/dbraw/zinc/34/57/08/1086345708.db2.gz HCIREYIYOPISLW-UHFFFAOYSA-N -1 3 360.410 4.207 20 0 FIADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cn2ccnc2s1 ZINC000188435301 1086350141 /nfs/dbraw/zinc/35/01/41/1086350141.db2.gz ZUTCKAWQPRGMTJ-UHFFFAOYSA-N -1 3 357.382 4.144 20 0 FIADHM Cc1ccc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c([O-])c1 ZINC000184852946 1086363837 /nfs/dbraw/zinc/36/38/37/1086363837.db2.gz GGMZUSRFICTNJY-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1csc(-c2ccccc2)n1 ZINC000500442343 1086477765 /nfs/dbraw/zinc/47/77/65/1086477765.db2.gz UEVIJTIGEOFAQV-UHFFFAOYSA-N -1 3 370.908 4.004 20 0 FIADHM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000147078041 1086521499 /nfs/dbraw/zinc/52/14/99/1086521499.db2.gz MJDDEDHUDXTGMB-AWEZNQCLSA-N -1 3 355.463 4.019 20 0 FIADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 ZINC000278199845 1086555292 /nfs/dbraw/zinc/55/52/92/1086555292.db2.gz SBGCRBULFXKMNB-ZDUSSCGKSA-N -1 3 357.479 4.003 20 0 FIADHM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC000278199842 1086555331 /nfs/dbraw/zinc/55/53/31/1086555331.db2.gz SBGCRBULFXKMNB-CYBMUJFWSA-N -1 3 357.479 4.003 20 0 FIADHM O=C(CCCOc1ccc(Cl)cc1Cl)[N-]OCCC(F)(F)F ZINC000162977587 1086607906 /nfs/dbraw/zinc/60/79/06/1086607906.db2.gz LEVGPAGMOMBYLM-UHFFFAOYSA-N -1 3 360.159 4.153 20 0 FIADHM O=C([N-]NC(=O)c1ccc2ccccc2c1)c1cc(Cl)ccc1Cl ZINC000006208297 1086718746 /nfs/dbraw/zinc/71/87/46/1086718746.db2.gz VZOFBTRMPMXGOW-UHFFFAOYSA-N -1 3 359.212 4.221 20 0 FIADHM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc([O-])ccc1Cl ZINC000432420955 1086746597 /nfs/dbraw/zinc/74/65/97/1086746597.db2.gz NGIFOAMMSZIBBA-UHFFFAOYSA-N -1 3 364.735 4.448 20 0 FIADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000583570579 1086807639 /nfs/dbraw/zinc/80/76/39/1086807639.db2.gz YGYWEZDJWDIKCI-LLVKDONJSA-N -1 3 357.328 4.068 20 0 FIADHM Cc1ccc(C)c(NC(=S)N[N-]C(=O)c2cccc(Cl)c2Cl)c1 ZINC000006573199 1086846716 /nfs/dbraw/zinc/84/67/16/1086846716.db2.gz XNLGJOKERDTDPI-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM CCO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001211702112 1086876679 /nfs/dbraw/zinc/87/66/79/1086876679.db2.gz GMYVLOVVDVTHMI-AWEZNQCLSA-N -1 3 374.289 4.050 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)cc1F)c1c(Cl)cccc1Cl ZINC001211600661 1086997746 /nfs/dbraw/zinc/99/77/46/1086997746.db2.gz OBKKDXCUMNYGTA-UHFFFAOYSA-N -1 3 368.644 4.264 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3ccc(C(C)C)cc32)c(F)cc1F ZINC001211606459 1087097382 /nfs/dbraw/zinc/09/73/82/1087097382.db2.gz UOQUYKLJPOYDGE-SFHVURJKSA-N -1 3 365.445 4.362 20 0 FIADHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nccs1 ZINC000151489600 1087116055 /nfs/dbraw/zinc/11/60/55/1087116055.db2.gz KQWCVDVGPBBBNP-CYBMUJFWSA-N -1 3 365.307 4.054 20 0 FIADHM Cc1c2ccccc2oc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151536831 1087132785 /nfs/dbraw/zinc/13/27/85/1087132785.db2.gz NLNUGXOLJQPETI-UHFFFAOYSA-N -1 3 360.207 4.139 20 0 FIADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000536212073 1087160539 /nfs/dbraw/zinc/16/05/39/1087160539.db2.gz TUYHFLOIVGIAHK-MNOVXSKESA-N -1 3 352.253 4.267 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)c1[O-] ZINC000584377938 1087301630 /nfs/dbraw/zinc/30/16/30/1087301630.db2.gz NEPJQSVENLVYAK-CYBMUJFWSA-N -1 3 353.418 4.176 20 0 FIADHM COCC[C@H](C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000088305944 1087374809 /nfs/dbraw/zinc/37/48/09/1087374809.db2.gz LPDHPIOHYYWZPG-QWRGUYRKSA-N -1 3 364.492 4.464 20 0 FIADHM C[C@H](c1c(F)cccc1F)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468392399 1087543145 /nfs/dbraw/zinc/54/31/45/1087543145.db2.gz LCRKMSTWTSPVAZ-GFCCVEGCSA-N -1 3 351.368 4.352 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nc2ccccc2n1C(F)F ZINC000685579990 1087632212 /nfs/dbraw/zinc/63/22/12/1087632212.db2.gz SURLTPHXIVFMDP-VIFPVBQESA-N -1 3 365.767 4.281 20 0 FIADHM Cc1ccsc1-c1nsc([N-]C(=O)c2coc(Br)c2)n1 ZINC000131584719 1087641632 /nfs/dbraw/zinc/64/16/32/1087641632.db2.gz NALFGGGBWINMCX-UHFFFAOYSA-N -1 3 370.253 4.183 20 0 FIADHM COc1cccc(Oc2ncccc2CNCc2c(F)ccc([O-])c2F)c1 ZINC000511312604 1087642996 /nfs/dbraw/zinc/64/29/96/1087642996.db2.gz DMEVUVGQLLJTDO-UHFFFAOYSA-N -1 3 372.371 4.156 20 0 FIADHM C[C@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000685623371 1087647238 /nfs/dbraw/zinc/64/72/38/1087647238.db2.gz IIRKIXNFPSNWHZ-AWEZNQCLSA-N -1 3 370.880 4.101 20 0 FIADHM O=C(Nc1ccc(OCc2ccccc2)nc1)c1cc([O-])ccc1Cl ZINC000685628633 1087648517 /nfs/dbraw/zinc/64/85/17/1087648517.db2.gz GYPQFJZFDZBMPG-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM C[C@H](S[C@H]1CCO[C@@H]1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000163521435 1087748590 /nfs/dbraw/zinc/74/85/90/1087748590.db2.gz KHJWRMCRAYCIGW-NRUUGDAUSA-N -1 3 362.476 4.216 20 0 FIADHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000504948911 1087998853 /nfs/dbraw/zinc/99/88/53/1087998853.db2.gz IMRFWDLSPKJUNF-UHFFFAOYSA-N -1 3 350.440 4.412 20 0 FIADHM O=C(Nc1cccc(CCC(F)(F)F)c1)c1c[n-]c2ccccc2c1=O ZINC000176955428 1088136519 /nfs/dbraw/zinc/13/65/19/1088136519.db2.gz WMLRHNVMAVLTFQ-UHFFFAOYSA-N -1 3 360.335 4.275 20 0 FIADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000782850928 1088284694 /nfs/dbraw/zinc/28/46/94/1088284694.db2.gz AMBDWUXHIDJCNX-UHFFFAOYSA-N -1 3 367.808 4.061 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000505272173 1088309894 /nfs/dbraw/zinc/30/98/94/1088309894.db2.gz GGVOPEXQXSOGCR-UHFFFAOYSA-N -1 3 354.431 4.237 20 0 FIADHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000505296804 1088329234 /nfs/dbraw/zinc/32/92/34/1088329234.db2.gz YHKIZAAASPKZPH-JTQLQIEISA-N -1 3 370.232 4.365 20 0 FIADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623019491 1088504847 /nfs/dbraw/zinc/50/48/47/1088504847.db2.gz WOPRVYSCSUYXOU-MRXNPFEDSA-N -1 3 352.356 4.419 20 0 FIADHM COc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc(OC)c1[O-] ZINC000513968962 1088589969 /nfs/dbraw/zinc/58/99/69/1088589969.db2.gz NMUIPBCLVFDDMH-LJQANCHMSA-N -1 3 373.424 4.210 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C ZINC000031668405 1088655850 /nfs/dbraw/zinc/65/58/50/1088655850.db2.gz FLIBMTSPFMBSND-UHFFFAOYSA-N -1 3 364.898 4.358 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cncc(F)c1 ZINC000179933273 1088763369 /nfs/dbraw/zinc/76/33/69/1088763369.db2.gz NFMCWRMTYHKBKP-UHFFFAOYSA-N -1 3 365.389 4.455 20 0 FIADHM Cc1noc2ccc(-c3noc(C=C([O-])c4ccccc4Cl)n3)cc12 ZINC001211647359 1088764209 /nfs/dbraw/zinc/76/42/09/1088764209.db2.gz LOGIDKISFIHVMN-UHFFFAOYSA-N -1 3 353.765 4.265 20 0 FIADHM O=C([O-])[C@]12CN(Cc3ccc(Br)cc3Cl)C[C@H]1CCCC2 ZINC000659799618 1088884869 /nfs/dbraw/zinc/88/48/69/1088884869.db2.gz KGKIDJAFCYFTSB-MLGOLLRUSA-N -1 3 372.690 4.179 20 0 FIADHM CN(Cc1c(Br)cccc1C(=O)[O-])C[C@H]1CCc2ccccc21 ZINC000659803478 1088890629 /nfs/dbraw/zinc/89/06/29/1088890629.db2.gz IROOVOHCPSIHBB-CQSZACIVSA-N -1 3 374.278 4.309 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000135513735 1088951329 /nfs/dbraw/zinc/95/13/29/1088951329.db2.gz DQNZVJKFHASQCV-UHFFFAOYSA-N -1 3 369.418 4.023 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000468553726 1088965521 /nfs/dbraw/zinc/96/55/21/1088965521.db2.gz LHKHBHZWADDGSP-UHFFFAOYSA-N -1 3 357.303 4.391 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(CCC3CC3)CC3CC3)cc2)cc(=O)[n-]1 ZINC000664457419 1089143822 /nfs/dbraw/zinc/14/38/22/1089143822.db2.gz ROEMFJSDDOGHIL-UHFFFAOYSA-N -1 3 366.465 4.202 20 0 FIADHM CCCOc1ccc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)cc1OC ZINC000435340562 1089546044 /nfs/dbraw/zinc/54/60/44/1089546044.db2.gz JVTMHKLJVBWYIN-FOWTUZBSSA-N -1 3 356.466 4.470 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000514891994 1089567270 /nfs/dbraw/zinc/56/72/70/1089567270.db2.gz PUYNNOGETWDFRF-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1Br ZINC000756331580 1089910012 /nfs/dbraw/zinc/91/00/12/1089910012.db2.gz AYEKXUSFYDQXCX-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)Nc1ncccc1[O-] ZINC000435820970 1089963698 /nfs/dbraw/zinc/96/36/98/1089963698.db2.gz ZAMNURMTIMTGRL-UHFFFAOYSA-N -1 3 364.188 4.310 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000378005402 1089996007 /nfs/dbraw/zinc/99/60/07/1089996007.db2.gz OCNKJWVEYLHNMW-LJQANCHMSA-N -1 3 350.393 4.035 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(OC2CCC2)CC1 ZINC000416259215 1090289077 /nfs/dbraw/zinc/28/90/77/1090289077.db2.gz OYACGMWELMASJH-UHFFFAOYSA-N -1 3 365.473 4.157 20 0 FIADHM CC1(C)CC[C@H](C(=O)N2CCCc3c(=O)[n-]cnc32)[C@H](c2ccccc2)C1 ZINC000893203903 1090299862 /nfs/dbraw/zinc/29/98/62/1090299862.db2.gz FEWXQWYSRRNPTH-WMZOPIPTSA-N -1 3 365.477 4.072 20 0 FIADHM CC(C)(C)c1cnc(CNC[C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000417542981 1090918475 /nfs/dbraw/zinc/91/84/75/1090918475.db2.gz FMKVLJZMLXVWGV-ZDUSSCGKSA-N -1 3 366.914 4.127 20 0 FIADHM COc1cccc(Cl)c1CNCCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000417556111 1090924383 /nfs/dbraw/zinc/92/43/83/1090924383.db2.gz NLBLXYQAYHKKPX-INIZCTEOSA-N -1 3 361.869 4.162 20 0 FIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cs1 ZINC000417558368 1090925154 /nfs/dbraw/zinc/92/51/54/1090925154.db2.gz UZHNBIUFHMYXKQ-CQSZACIVSA-N -1 3 354.269 4.125 20 0 FIADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1csc(-c2cccs2)n1 ZINC000417609277 1090938477 /nfs/dbraw/zinc/93/84/77/1090938477.db2.gz KJGDHZUJMZCQBO-CQSZACIVSA-N -1 3 350.509 4.385 20 0 FIADHM COc1ccccc1C(C)(C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001125910267 1090940790 /nfs/dbraw/zinc/94/07/90/1090940790.db2.gz BKWWGDOVFLWREC-UHFFFAOYSA-N -1 3 355.331 4.117 20 0 FIADHM O=C([O-])C1(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCC1 ZINC000417624178 1090947648 /nfs/dbraw/zinc/94/76/48/1090947648.db2.gz QFPVCUFGBSITLN-UHFFFAOYSA-N -1 3 370.396 4.173 20 0 FIADHM CC(C)=CCSC[C@@H](NCc1ccc(-c2ccncc2)cc1F)C(=O)[O-] ZINC000417625421 1090948195 /nfs/dbraw/zinc/94/81/95/1090948195.db2.gz MBUPBHGYBLJUTC-LJQANCHMSA-N -1 3 374.481 4.130 20 0 FIADHM COc1ccc(NC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)cc1 ZINC000053494555 1091069983 /nfs/dbraw/zinc/06/99/83/1091069983.db2.gz LILIZJZBKKQBLU-UHFFFAOYSA-N -1 3 361.616 4.199 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3CC(c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000500222101 1091115515 /nfs/dbraw/zinc/11/55/15/1091115515.db2.gz ZTQFLYHLVHWXIA-UHFFFAOYSA-N -1 3 374.444 4.225 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000468773490 1091327033 /nfs/dbraw/zinc/32/70/33/1091327033.db2.gz AVLCSKKFRCQYOC-KRWDZBQOSA-N -1 3 361.379 4.481 20 0 FIADHM O=C([N-][C@@H](c1cccc(F)c1)c1cccc(Br)c1)C(F)F ZINC000194746765 1091411541 /nfs/dbraw/zinc/41/15/41/1091411541.db2.gz KOITUQLWISRPEX-CYBMUJFWSA-N -1 3 358.157 4.059 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)c1 ZINC000432645759 1092023312 /nfs/dbraw/zinc/02/33/12/1092023312.db2.gz XOLLYCFXQCQWKK-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCn1nc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c2ccccc21 ZINC000432711979 1092169856 /nfs/dbraw/zinc/16/98/56/1092169856.db2.gz XTUCLHDBJLBNQO-ICFOKQHNSA-N -1 3 356.429 4.335 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1Cl ZINC000432761578 1092288811 /nfs/dbraw/zinc/28/88/11/1092288811.db2.gz VUCKMURQLAXZTQ-UHFFFAOYSA-N -1 3 361.797 4.395 20 0 FIADHM O=C([N-]c1nc2ccc(Cl)nc2s1)c1c(F)c(F)cc(F)c1F ZINC001270997514 1092315728 /nfs/dbraw/zinc/31/57/28/1092315728.db2.gz AWQRBZDPFZEHEU-UHFFFAOYSA-N -1 3 361.707 4.153 20 0 FIADHM [O-]c1ccc(CNc2nccc(Oc3ccccc3)n2)cc1Br ZINC000432831584 1092567387 /nfs/dbraw/zinc/56/73/87/1092567387.db2.gz VGKCXWMGKQOGIK-UHFFFAOYSA-N -1 3 372.222 4.349 20 0 FIADHM CC(C)Sc1c(Cl)cccc1NC(=O)NCc1ncccc1[O-] ZINC000467941410 1092710130 /nfs/dbraw/zinc/71/01/30/1092710130.db2.gz JZSHMZKMVMMUJX-UHFFFAOYSA-N -1 3 351.859 4.263 20 0 FIADHM COc1ccc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000110080434 1092746138 /nfs/dbraw/zinc/74/61/38/1092746138.db2.gz NIFYMKBIGXRKNZ-UHFFFAOYSA-N -1 3 361.441 4.264 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(C)(F)F)cc3)cc2)n1 ZINC000432890913 1092907171 /nfs/dbraw/zinc/90/71/71/1092907171.db2.gz LCIBGGNKNKUOOL-UHFFFAOYSA-N -1 3 369.371 4.109 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@](C)(c4ccc(C)cc4)C3)nc2)n1 ZINC000432939099 1092973771 /nfs/dbraw/zinc/97/37/71/1092973771.db2.gz PWZBRPSBZATMMU-QHCPKHFHSA-N -1 3 374.488 4.283 20 0 FIADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000536239999 1092973894 /nfs/dbraw/zinc/97/38/94/1092973894.db2.gz PVBVCNBNVQIIHZ-UHFFFAOYSA-N -1 3 365.886 4.416 20 0 FIADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)o1 ZINC000521916462 1092978250 /nfs/dbraw/zinc/97/82/50/1092978250.db2.gz BSRVHAFFJHERRN-SWLSCSKDSA-N -1 3 374.487 4.005 20 0 FIADHM CCOc1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc(Cl)c1[O-] ZINC000443215167 1092986330 /nfs/dbraw/zinc/98/63/30/1092986330.db2.gz XPOAVPOABABZGT-UHFFFAOYSA-N -1 3 356.769 4.038 20 0 FIADHM CCn1cc(CC(=O)Nc2ccc(Br)cc2[O-])c2ccccc21 ZINC000522118011 1093104781 /nfs/dbraw/zinc/10/47/81/1093104781.db2.gz LECACBRYMKWXOZ-UHFFFAOYSA-N -1 3 373.250 4.311 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1[O-] ZINC000411217458 1093176173 /nfs/dbraw/zinc/17/61/73/1093176173.db2.gz MCPOUEMMLIYDJJ-INIZCTEOSA-N -1 3 366.442 4.182 20 0 FIADHM Cc1nc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(-c2ccccc2)s1 ZINC001211769447 1093267962 /nfs/dbraw/zinc/26/79/62/1093267962.db2.gz UBWJFLMWUWHZIA-UHFFFAOYSA-N -1 3 362.520 4.120 20 0 FIADHM O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1cc([O-])ccc1Cl ZINC000550524446 1093289729 /nfs/dbraw/zinc/28/97/29/1093289729.db2.gz DIKJVUINMUIUGU-SFHVURJKSA-N -1 3 367.836 4.420 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)s1 ZINC001211780955 1093299950 /nfs/dbraw/zinc/29/99/50/1093299950.db2.gz BBARJERYMKCQQE-UHFFFAOYSA-N -1 3 365.854 4.089 20 0 FIADHM C[C@H]1CN(Cc2cccc(NCc3cccc([O-])c3Cl)c2)C[C@H](C)O1 ZINC000645166949 1093346349 /nfs/dbraw/zinc/34/63/49/1093346349.db2.gz QTDYJOQQOAZTBL-GJZGRUSLSA-N -1 3 360.885 4.267 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3CCC[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000522370814 1093429600 /nfs/dbraw/zinc/42/96/00/1093429600.db2.gz LWBAYLHPIKLMSX-ZBFHGGJFSA-N -1 3 368.481 4.496 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@@H](C)c2ccccc2)[nH][n-]1 ZINC000512853912 1093454463 /nfs/dbraw/zinc/45/44/63/1093454463.db2.gz DSTSLFVDVFFTNM-CYBMUJFWSA-N -1 3 369.852 4.293 20 0 FIADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCCCN1C1CCCC1 ZINC000433361692 1093622631 /nfs/dbraw/zinc/62/26/31/1093622631.db2.gz DBCDSZSECFXTAD-HNNXBMFYSA-N -1 3 357.281 4.435 20 0 FIADHM O=C([N-]c1nc(Cc2ccccc2)cs1)c1noc(-c2ccccc2)n1 ZINC000433381542 1093647682 /nfs/dbraw/zinc/64/76/82/1093647682.db2.gz AGTWEFWTZWJLHL-UHFFFAOYSA-N -1 3 362.414 4.036 20 0 FIADHM CCCCOc1ccc(CNCc2c(F)ccc([O-])c2F)cc1OC ZINC000509896013 1093694279 /nfs/dbraw/zinc/69/42/79/1093694279.db2.gz SOBBILNQNMGWEU-UHFFFAOYSA-N -1 3 351.393 4.148 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1ccc(Cl)s1 ZINC000052782400 1093954487 /nfs/dbraw/zinc/95/44/87/1093954487.db2.gz XXOYEMXMNKJIRR-OAHLLOKOSA-N -1 3 353.852 4.062 20 0 FIADHM C[C@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1C(F)(F)F ZINC000647801065 1093987544 /nfs/dbraw/zinc/98/75/44/1093987544.db2.gz HOLHHVNQMUMPMZ-SNVBAGLBSA-N -1 3 363.339 4.420 20 0 FIADHM CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccnc1 ZINC000433744505 1094074247 /nfs/dbraw/zinc/07/42/47/1094074247.db2.gz KNZGJDIMQTVZPS-ZDUSSCGKSA-N -1 3 373.305 4.107 20 0 FIADHM O=C([N-]c1nc2ccsc2s1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000433758185 1094081636 /nfs/dbraw/zinc/08/16/36/1094081636.db2.gz JVRTXKYAJCOYBA-UHFFFAOYSA-N -1 3 369.427 4.200 20 0 FIADHM CC(C)c1noc(Cc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2)n1 ZINC000513424297 1094110682 /nfs/dbraw/zinc/11/06/82/1094110682.db2.gz FWRBWCLMOUFDEJ-UHFFFAOYSA-N -1 3 371.824 4.395 20 0 FIADHM Cc1cc2sc(NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)nc2cc1F ZINC000280337868 1094330567 /nfs/dbraw/zinc/33/05/67/1094330567.db2.gz WDBKCBOAXPQOKL-UHFFFAOYSA-N -1 3 374.441 4.098 20 0 FIADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1Oc1cccnc1 ZINC000098103814 1094563618 /nfs/dbraw/zinc/56/36/18/1094563618.db2.gz MXBGANSVABRWAT-UHFFFAOYSA-N -1 3 371.396 4.276 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3sc4cc(F)ccc4c3C)n[n-]2)o1 ZINC000501231404 1094573731 /nfs/dbraw/zinc/57/37/31/1094573731.db2.gz GQBUFRCCXCSNKL-UHFFFAOYSA-N -1 3 356.382 4.288 20 0 FIADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000896810387 1094998610 /nfs/dbraw/zinc/99/86/10/1094998610.db2.gz USOIXQKPKFZGQI-CQSZACIVSA-N -1 3 374.431 4.381 20 0 FIADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000522533596 1095115654 /nfs/dbraw/zinc/11/56/54/1095115654.db2.gz ORQQDKAFMKYSMT-SNVBAGLBSA-N -1 3 352.203 4.426 20 0 FIADHM CC[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H](CC)O1 ZINC000420963083 1095202808 /nfs/dbraw/zinc/20/28/08/1095202808.db2.gz VBJNFUSIYXHKNM-BETUJISGSA-N -1 3 373.478 4.046 20 0 FIADHM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)c(Cl)[n-]2)c1C ZINC000028752368 1095309505 /nfs/dbraw/zinc/30/95/05/1095309505.db2.gz BRUAIPXJWGZFPK-JTQLQIEISA-N -1 3 355.221 4.122 20 0 FIADHM CCCCc1nc(NC(=O)c2oc3ccccc3c2C)c(C(=O)OCC)[n-]1 ZINC001269123829 1095570433 /nfs/dbraw/zinc/57/04/33/1095570433.db2.gz NKKJENZVGPDNBU-UHFFFAOYSA-N -1 3 369.421 4.236 20 0 FIADHM Cc1noc(C)c1CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000029678454 1095761910 /nfs/dbraw/zinc/76/19/10/1095761910.db2.gz DWRHMLLDJBOMJK-UHFFFAOYSA-N -1 3 373.459 4.283 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3C[C@H](C)C[C@@H](C)C3)c2)n1 ZINC000502929025 1095957974 /nfs/dbraw/zinc/95/79/74/1095957974.db2.gz LFEUXWSGHKIOTP-ZIAGYGMSSA-N -1 3 353.466 4.422 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000503003054 1096011746 /nfs/dbraw/zinc/01/17/46/1096011746.db2.gz DTQKARVOLZYZGD-LLVKDONJSA-N -1 3 360.335 4.038 20 0 FIADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(C)cc2)CCC3)on1 ZINC000503090755 1096067465 /nfs/dbraw/zinc/06/74/65/1096067465.db2.gz ZZCPOSLWKPWDCX-UHFFFAOYSA-N -1 3 366.442 4.325 20 0 FIADHM Cc1ccccc1C1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000503421216 1096394212 /nfs/dbraw/zinc/39/42/12/1096394212.db2.gz NCZQRYALTUHZPE-UHFFFAOYSA-N -1 3 361.449 4.016 20 0 FIADHM Cc1ccccc1C1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000503421216 1096394218 /nfs/dbraw/zinc/39/42/18/1096394218.db2.gz NCZQRYALTUHZPE-UHFFFAOYSA-N -1 3 361.449 4.016 20 0 FIADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1cc(Cl)ccc1Cl ZINC000504549364 1096806231 /nfs/dbraw/zinc/80/62/31/1096806231.db2.gz UOOSIPMVMQFVLK-AWEZNQCLSA-N -1 3 372.273 4.186 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000515503385 1098658192 /nfs/dbraw/zinc/65/81/92/1098658192.db2.gz RUXOFLAKAYYCMX-BDAKNGLRSA-N -1 3 366.177 4.462 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(N3CCc4ccccc43)CC2)c([O-])c1 ZINC000436491580 1099054257 /nfs/dbraw/zinc/05/42/57/1099054257.db2.gz LLMFIECFPBUUKC-UHFFFAOYSA-N -1 3 364.489 4.183 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1[O-] ZINC000436516483 1099074887 /nfs/dbraw/zinc/07/48/87/1099074887.db2.gz YZRUPDGDFBSPMZ-UHFFFAOYSA-N -1 3 373.302 4.123 20 0 FIADHM CCCNC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1Cl ZINC000436549898 1099094465 /nfs/dbraw/zinc/09/44/65/1099094465.db2.gz REVABSKYODFGBG-UHFFFAOYSA-N -1 3 360.841 4.055 20 0 FIADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(C)c1 ZINC000436548885 1099095043 /nfs/dbraw/zinc/09/50/43/1099095043.db2.gz CZLBDMAZDMKUBO-CQSZACIVSA-N -1 3 354.450 4.098 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1 ZINC000436548074 1099095315 /nfs/dbraw/zinc/09/53/15/1099095315.db2.gz LWGDKGUBZSUYGA-OAHLLOKOSA-N -1 3 366.461 4.133 20 0 FIADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000533498761 1099122067 /nfs/dbraw/zinc/12/20/67/1099122067.db2.gz KXXLAQCDSALPOJ-MNOVXSKESA-N -1 3 352.253 4.267 20 0 FIADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000533498763 1099122982 /nfs/dbraw/zinc/12/29/82/1099122982.db2.gz KXXLAQCDSALPOJ-WDEREUQCSA-N -1 3 352.253 4.267 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2-c2nncn2C(C)C)c([O-])c1C ZINC000436585836 1099133660 /nfs/dbraw/zinc/13/36/60/1099133660.db2.gz RBCBTXPYNYOOLJ-UHFFFAOYSA-N -1 3 350.422 4.101 20 0 FIADHM COCC(C)(C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436600913 1099138632 /nfs/dbraw/zinc/13/86/32/1099138632.db2.gz HHAYOXYHROVYTP-UHFFFAOYSA-N -1 3 356.447 4.280 20 0 FIADHM Cc1ccc([C@H](CNC(=O)c2ccc3ccccc3c2[O-])N2CCCC2)o1 ZINC000436630031 1099157668 /nfs/dbraw/zinc/15/76/68/1099157668.db2.gz YSNQTJMOOGQIHZ-IBGZPJMESA-N -1 3 364.445 4.014 20 0 FIADHM C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000436630127 1099159486 /nfs/dbraw/zinc/15/94/86/1099159486.db2.gz LYXXFEYEALNRDK-BZNIZROVSA-N -1 3 365.351 4.340 20 0 FIADHM CCOc1cc(-c2nc3cc(F)ccc3n2C)cc(Br)c1[O-] ZINC000436654637 1099177077 /nfs/dbraw/zinc/17/70/77/1099177077.db2.gz GUVYNOUICPEXIF-UHFFFAOYSA-N -1 3 365.202 4.246 20 0 FIADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436648301 1099191785 /nfs/dbraw/zinc/19/17/85/1099191785.db2.gz PIUDRCOXLCKCGT-NSHDSACASA-N -1 3 354.431 4.021 20 0 FIADHM CCOc1cc(-c2nc3cc(F)ccc3[nH]2)cc(Br)c1[O-] ZINC000436659216 1099207541 /nfs/dbraw/zinc/20/75/41/1099207541.db2.gz YBCTUTJBJDOBLN-UHFFFAOYSA-N -1 3 351.175 4.236 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000436678330 1099213395 /nfs/dbraw/zinc/21/33/95/1099213395.db2.gz BHHJWHVVCBKATG-OAQYLSRUSA-N -1 3 359.425 4.080 20 0 FIADHM CN(C)c1nc2sc(C(=O)Nc3ccc(Cl)cc3[O-])cc2s1 ZINC000533618470 1099215898 /nfs/dbraw/zinc/21/58/98/1099215898.db2.gz MRDFECZQOUWQGD-UHFFFAOYSA-N -1 3 353.856 4.035 20 0 FIADHM COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc(OC)c1[O-] ZINC000436685890 1099219970 /nfs/dbraw/zinc/21/99/70/1099219970.db2.gz CIRJIZOVDNKXKF-UHFFFAOYSA-N -1 3 366.295 4.145 20 0 FIADHM COc1cc(-c2nc(-c3ccccc3C(F)(F)F)no2)cc(OC)c1[O-] ZINC000436691265 1099224711 /nfs/dbraw/zinc/22/47/11/1099224711.db2.gz SJSKVGWSGLRXMB-UHFFFAOYSA-N -1 3 366.295 4.145 20 0 FIADHM CCc1cccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1[O-] ZINC000533615453 1099230003 /nfs/dbraw/zinc/23/00/03/1099230003.db2.gz IQOHUBYRCKRRAO-UHFFFAOYSA-N -1 3 359.853 4.292 20 0 FIADHM CC1(c2cccc(Br)c2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436700125 1099233485 /nfs/dbraw/zinc/23/34/85/1099233485.db2.gz UUCZRZUOGCAJOD-UHFFFAOYSA-N -1 3 374.278 4.349 20 0 FIADHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436706934 1099238264 /nfs/dbraw/zinc/23/82/64/1099238264.db2.gz QKMDQACQHVGLCM-UHFFFAOYSA-N -1 3 363.417 4.057 20 0 FIADHM O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cncc([O-])c1 ZINC000436716966 1099248924 /nfs/dbraw/zinc/24/89/24/1099248924.db2.gz RZMNTGPFUNJPTH-UHFFFAOYSA-N -1 3 363.398 4.022 20 0 FIADHM O=C(Nc1cccc(-c2nnco2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436760559 1099276829 /nfs/dbraw/zinc/27/68/29/1099276829.db2.gz QOQJSOVIBWQEAA-UHFFFAOYSA-N -1 3 371.396 4.285 20 0 FIADHM CC(C)c1ccc(C(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)c([O-])c1 ZINC000436755789 1099292359 /nfs/dbraw/zinc/29/23/59/1099292359.db2.gz NYXCXJNTMMXZCQ-UHFFFAOYSA-N -1 3 372.440 4.144 20 0 FIADHM CN(Cc1cc(Br)ccc1Cl)C(=O)c1ccccc1[O-] ZINC000436799280 1099313808 /nfs/dbraw/zinc/31/38/08/1099313808.db2.gz OUIZMIYMOGFMML-UHFFFAOYSA-N -1 3 354.631 4.080 20 0 FIADHM O=C(CCCSc1ccc(Cl)cc1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000533675387 1099314191 /nfs/dbraw/zinc/31/41/91/1099314191.db2.gz VEPWKMMJKFXQFC-UHFFFAOYSA-N -1 3 372.881 4.058 20 0 FIADHM CC1(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000436787135 1099318574 /nfs/dbraw/zinc/31/85/74/1099318574.db2.gz MNPNBMJJCXNFGE-VQTJNVASSA-N -1 3 367.445 4.214 20 0 FIADHM COc1ccc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000436793970 1099324987 /nfs/dbraw/zinc/32/49/87/1099324987.db2.gz UDWFRVZJZKAZEW-GFCCVEGCSA-N -1 3 367.367 4.123 20 0 FIADHM COCC[C@H]1CCCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436818622 1099330000 /nfs/dbraw/zinc/33/00/00/1099330000.db2.gz KUSOJZVWLVKVGM-QGZVFWFLSA-N -1 3 369.461 4.463 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000436819113 1099330456 /nfs/dbraw/zinc/33/04/56/1099330456.db2.gz CJDDBNIULQROLS-UHFFFAOYSA-N -1 3 352.217 4.209 20 0 FIADHM CCc1ccc(C(=O)Nc2ccccc2OCc2cscn2)c([O-])c1 ZINC000436825532 1099352604 /nfs/dbraw/zinc/35/26/04/1099352604.db2.gz LREAMOFISIXUKC-UHFFFAOYSA-N -1 3 354.431 4.242 20 0 FIADHM [O-]c1ccc(Nc2cnc3c(Br)cccc3n2)c(F)c1F ZINC001212005252 1099370091 /nfs/dbraw/zinc/37/00/91/1099370091.db2.gz CWXPXOIBOOMTLQ-UHFFFAOYSA-N -1 3 352.138 4.120 20 0 FIADHM [O-]c1ccc(-c2noc(-c3cccc(Cn4ccnc4)c3)n2)c(Cl)c1 ZINC000436870724 1099382362 /nfs/dbraw/zinc/38/23/62/1099382362.db2.gz IEDPRSFOLUDWSY-UHFFFAOYSA-N -1 3 352.781 4.007 20 0 FIADHM COC(=O)c1cc(Br)c(Nc2ccc([O-])c(F)c2F)cc1C ZINC001212016518 1099383227 /nfs/dbraw/zinc/38/32/27/1099383227.db2.gz UHNSVIQOWVGWDK-UHFFFAOYSA-N -1 3 372.165 4.272 20 0 FIADHM CC(C)c1ccc(-c2nc([C@H](C)CNC(=O)c3ccccc3)no2)c([O-])c1 ZINC000436944343 1099456903 /nfs/dbraw/zinc/45/69/03/1099456903.db2.gz JPHCIUDSQUIQHF-CQSZACIVSA-N -1 3 365.433 4.099 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)c(O)c(OCC)c2)CC)n1 ZINC000436969227 1099466431 /nfs/dbraw/zinc/46/64/31/1099466431.db2.gz XNRXSBHSMZSLDX-JYRVWZFOSA-N -1 3 362.857 4.431 20 0 FIADHM CO[C@H](C)c1nc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)cs1 ZINC000436954013 1099471795 /nfs/dbraw/zinc/47/17/95/1099471795.db2.gz CYHNXUDLDNZLDL-LLVKDONJSA-N -1 3 367.430 4.350 20 0 FIADHM CCCCOc1ccc(C(=O)N(C)[C@H]2CC[C@@H](SCC)C2)c([O-])c1 ZINC000436986377 1099504706 /nfs/dbraw/zinc/50/47/06/1099504706.db2.gz JLCIECDLVRATHZ-GOEBONIOSA-N -1 3 351.512 4.317 20 0 FIADHM CC(C)C[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000262724840 1099733027 /nfs/dbraw/zinc/73/30/27/1099733027.db2.gz YLNOISSWXPZGEJ-CQSZACIVSA-N -1 3 372.412 4.418 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1C(F)(F)F ZINC000263508294 1099798948 /nfs/dbraw/zinc/79/89/48/1099798948.db2.gz MPVFXKXACJKYAX-CHWSQXEVSA-N -1 3 373.758 4.295 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437373050 1099845913 /nfs/dbraw/zinc/84/59/13/1099845913.db2.gz MLMRKTAYSPGOJI-SUMWQHHRSA-N -1 3 365.807 4.319 20 0 FIADHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000428619113 1099875752 /nfs/dbraw/zinc/87/57/52/1099875752.db2.gz NKGFQGKNFOYWOA-UHFFFAOYSA-N -1 3 364.245 4.169 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCC)c2)cc1 ZINC000516942554 1099948276 /nfs/dbraw/zinc/94/82/76/1099948276.db2.gz ZZVHEDUMWZKVGB-UHFFFAOYSA-N -1 3 351.493 4.139 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000437503118 1099959679 /nfs/dbraw/zinc/95/96/79/1099959679.db2.gz HZCXTFFVANHLEV-CZIWCDLHSA-N -1 3 363.379 4.195 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](c2cccnc2)C1 ZINC000517035692 1099996783 /nfs/dbraw/zinc/99/67/83/1099996783.db2.gz OVCQZWFXWXJBKZ-MLGOLLRUSA-N -1 3 351.233 4.004 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000007051750 1100244844 /nfs/dbraw/zinc/24/48/44/1100244844.db2.gz CVBCNBRWYMHXRZ-UHFFFAOYSA-N -1 3 370.396 4.106 20 0 FIADHM C[C@H](NCc1cccc([O-])c1Br)[C@@H]1OCCc2sccc21 ZINC000459555735 1100302391 /nfs/dbraw/zinc/30/23/91/1100302391.db2.gz IIHLBOZAHJEGJU-QFYYESIMSA-N -1 3 368.296 4.008 20 0 FIADHM COC[C@H](NCc1cccc([O-])c1Br)c1cccc(Cl)c1 ZINC000459561928 1100305460 /nfs/dbraw/zinc/30/54/60/1100305460.db2.gz MEWLHIKVBQGZLD-AWEZNQCLSA-N -1 3 370.674 4.285 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000473585555 1100381799 /nfs/dbraw/zinc/38/17/99/1100381799.db2.gz RINLHTAYKFJFAC-NEPJUHHUSA-N -1 3 357.278 4.431 20 0 FIADHM [O-]c1cccc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1Cl ZINC000459643432 1100384259 /nfs/dbraw/zinc/38/42/59/1100384259.db2.gz CRIOLSXFIMZBST-AWEZNQCLSA-N -1 3 363.807 4.227 20 0 FIADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1 ZINC000536900380 1100404071 /nfs/dbraw/zinc/40/40/71/1100404071.db2.gz LVSWFDMYEFVMJP-UHFFFAOYSA-N -1 3 374.487 4.398 20 0 FIADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000469379605 1100460015 /nfs/dbraw/zinc/46/00/15/1100460015.db2.gz SGXNXYKGUOLNRH-KRWDZBQOSA-N -1 3 351.368 4.400 20 0 FIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000438783643 1100916032 /nfs/dbraw/zinc/91/60/32/1100916032.db2.gz GUPBWBZJWVSOFL-UHFFFAOYSA-N -1 3 355.818 4.119 20 0 FIADHM COc1ccccc1-c1ccc([C@H](C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000439056618 1101123960 /nfs/dbraw/zinc/12/39/60/1101123960.db2.gz IWYPWPSMEDNVTK-AWEZNQCLSA-N -1 3 363.413 4.264 20 0 FIADHM C[C@H]1CC[C@H](CCC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)O1 ZINC000439160213 1101205558 /nfs/dbraw/zinc/20/55/58/1101205558.db2.gz ZLARCCCMONNIER-IINYFYTJSA-N -1 3 368.264 4.092 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000473599281 1101206051 /nfs/dbraw/zinc/20/60/51/1101206051.db2.gz MIOAZZMLCPKIGN-UWVGGRQHSA-N -1 3 357.278 4.431 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1c[nH]cc1-c1ccccc1 ZINC000518456406 1101228368 /nfs/dbraw/zinc/22/83/68/1101228368.db2.gz ZXPSXNGYLGKOQB-UHFFFAOYSA-N -1 3 357.207 4.402 20 0 FIADHM COCc1cc(C(=O)[N-]c2cc(-c3ccc(C(C)(C)C)cc3)no2)no1 ZINC000439263329 1101286745 /nfs/dbraw/zinc/28/67/45/1101286745.db2.gz QLWYFEHBRSBFBV-UHFFFAOYSA-N -1 3 355.394 4.026 20 0 FIADHM CC[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CCC(C)CC1 ZINC000648431786 1101323518 /nfs/dbraw/zinc/32/35/18/1101323518.db2.gz DPINMKCZIOLURW-MCIGGMRASA-N -1 3 365.827 4.312 20 0 FIADHM CC[C@@H](CC1CCCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432900 1101330124 /nfs/dbraw/zinc/33/01/24/1101330124.db2.gz LPOYGPWIKLMSID-LBPRGKRZSA-N -1 3 365.827 4.456 20 0 FIADHM CCSc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000506601990 1101526998 /nfs/dbraw/zinc/52/69/98/1101526998.db2.gz TWSAYOKDLRTFNZ-UHFFFAOYSA-N -1 3 354.497 4.026 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3CC[C@H](C)C3)cc2)cc1 ZINC000537354907 1101688347 /nfs/dbraw/zinc/68/83/47/1101688347.db2.gz NCDPSPOBVUZVNS-JKSUJKDBSA-N -1 3 372.490 4.171 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(Cl)s3)nc(=O)c2c1C ZINC000004242778 1101766737 /nfs/dbraw/zinc/76/67/37/1101766737.db2.gz AMKFKRZNPOGSFC-ZETCQYMHSA-N -1 3 368.867 4.234 20 0 FIADHM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000506724676 1101916487 /nfs/dbraw/zinc/91/64/87/1101916487.db2.gz CRTHPNCSULGZMH-ZDUSSCGKSA-N -1 3 366.483 4.091 20 0 FIADHM Cc1c2ccccc2oc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000064359310 1101957194 /nfs/dbraw/zinc/95/71/94/1101957194.db2.gz QHLYOPOSWLLYMP-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM COc1ccccc1C(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476183735 1102024838 /nfs/dbraw/zinc/02/48/38/1102024838.db2.gz ZHBQUDULEWQSRM-UHFFFAOYSA-N -1 3 353.340 4.336 20 0 FIADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc2ccccc2cc1[O-] ZINC000036684478 1102030426 /nfs/dbraw/zinc/03/04/26/1102030426.db2.gz KZQFOJSDWYWANM-IBGZPJMESA-N -1 3 364.445 4.095 20 0 FIADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1C1CC1 ZINC000666303356 1102078522 /nfs/dbraw/zinc/07/85/22/1102078522.db2.gz MSOPHTMPNGSEMF-QANKJYHBSA-N -1 3 359.495 4.029 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000666308323 1102087305 /nfs/dbraw/zinc/08/73/05/1102087305.db2.gz CZTAFBQYWNMNEL-ZDUSSCGKSA-N -1 3 368.458 4.275 20 0 FIADHM COCC[C@H](NCc1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000263396441 1102111772 /nfs/dbraw/zinc/11/17/72/1102111772.db2.gz GUVSNLOAIBCZAU-KRWDZBQOSA-N -1 3 367.367 4.271 20 0 FIADHM O=C([O-])[C@H](CCNCc1csc(-c2ccccc2)n1)Cc1ccccc1 ZINC000426629383 1102190923 /nfs/dbraw/zinc/19/09/23/1102190923.db2.gz BYQGOZYINBDMKI-GOSISDBHSA-N -1 3 366.486 4.233 20 0 FIADHM O=C([O-])[C@@H](CCNCc1csc(-c2ccccc2)n1)Cc1ccccc1 ZINC000426629384 1102191019 /nfs/dbraw/zinc/19/10/19/1102191019.db2.gz BYQGOZYINBDMKI-SFHVURJKSA-N -1 3 366.486 4.233 20 0 FIADHM O=C([O-])[C@@H](CCNCc1ncc(-c2ccccc2)s1)Cc1ccccc1 ZINC000426629200 1102191881 /nfs/dbraw/zinc/19/18/81/1102191881.db2.gz PQOULIRQOJLVLI-SFHVURJKSA-N -1 3 366.486 4.233 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440301323 1102193801 /nfs/dbraw/zinc/19/38/01/1102193801.db2.gz DQMHMDBTNXPDPW-UHFFFAOYSA-N -1 3 361.360 4.430 20 0 FIADHM COc1cc([C@H](C)NCc2cccc(C(=O)[O-])c2)ccc1OCC(C)C ZINC000263501296 1102201656 /nfs/dbraw/zinc/20/16/56/1102201656.db2.gz VNFTVGVHKJGRSU-HNNXBMFYSA-N -1 3 357.450 4.279 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000187586464 1102285839 /nfs/dbraw/zinc/28/58/39/1102285839.db2.gz WZTSJZVBXWRACZ-QFIPXVFZSA-N -1 3 365.473 4.014 20 0 FIADHM CC(C)N(C)c1ccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)cn1 ZINC000666585620 1102306496 /nfs/dbraw/zinc/30/64/96/1102306496.db2.gz CSCLKVRXMAYEJD-UHFFFAOYSA-N -1 3 367.493 4.004 20 0 FIADHM O=C(CSc1cccc2cccc(Cl)c21)NCc1ncccc1[O-] ZINC000473634058 1102337715 /nfs/dbraw/zinc/33/77/15/1102337715.db2.gz OCLBYTAVUUQAGU-UHFFFAOYSA-N -1 3 358.850 4.002 20 0 FIADHM COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1[O-] ZINC000121231492 1102348793 /nfs/dbraw/zinc/34/87/93/1102348793.db2.gz SDRXOTRIQQBSCB-UHFFFAOYSA-N -1 3 359.385 4.196 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cc(F)ccc1Cl ZINC000121773695 1102457614 /nfs/dbraw/zinc/45/76/14/1102457614.db2.gz VCOFQXDPVKWTAE-UHFFFAOYSA-N -1 3 373.609 4.269 20 0 FIADHM CSc1nccn1-c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111210279 1102477060 /nfs/dbraw/zinc/47/70/60/1102477060.db2.gz CNQCCULQOQKBPW-UHFFFAOYSA-N -1 3 359.838 4.206 20 0 FIADHM CC[C@@H](C)Oc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000122568166 1102594768 /nfs/dbraw/zinc/59/47/68/1102594768.db2.gz FCDJNNZCLYRNST-CYBMUJFWSA-N -1 3 368.408 4.405 20 0 FIADHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1ccc(OC(F)(F)F)cc1 ZINC000190916214 1102611787 /nfs/dbraw/zinc/61/17/87/1102611787.db2.gz WJPDSPXXKXUGKO-UHFFFAOYSA-N -1 3 357.303 4.346 20 0 FIADHM C[C@H](Oc1cccc([O-])c1Br)c1cc(Br)no1 ZINC001229140676 1102636894 /nfs/dbraw/zinc/63/68/94/1102636894.db2.gz CPRXIAILSUXLEE-LURJTMIESA-N -1 3 363.005 4.045 20 0 FIADHM CC(C)C[C@H](C(=O)OCc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000783790704 1102649758 /nfs/dbraw/zinc/64/97/58/1102649758.db2.gz ZOMODYYPKOVZCW-KRWDZBQOSA-N -1 3 366.417 4.315 20 0 FIADHM COc1cc(F)cc2sc(NC(=O)c3cc([O-])ccc3Cl)nc21 ZINC000550885985 1102658781 /nfs/dbraw/zinc/65/87/81/1102658781.db2.gz IHUIIICGUWJNMA-UHFFFAOYSA-N -1 3 352.774 4.055 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CCC(F)CC1 ZINC001213249208 1102756042 /nfs/dbraw/zinc/75/60/42/1102756042.db2.gz MZELDAAWIZMNRA-GRZMOONWSA-N -1 3 371.371 4.040 20 0 FIADHM [O-]c1cccc(CN2CCC(OC3CCCCC3)CC2)c1Br ZINC000459321337 1102798606 /nfs/dbraw/zinc/79/86/06/1102798606.db2.gz GPVOHTCJKNKLGZ-UHFFFAOYSA-N -1 3 368.315 4.468 20 0 FIADHM [O-]c1cccc(CN2CCC(OC3CCCC3)CC2)c1Br ZINC000459319892 1102805756 /nfs/dbraw/zinc/80/57/56/1102805756.db2.gz DYDWOVZPGYPGAM-UHFFFAOYSA-N -1 3 354.288 4.078 20 0 FIADHM O=C([O-])[C@@]1(NCc2cc(Cl)cc(Cl)c2)CCc2c1cccc2F ZINC000551058092 1102875439 /nfs/dbraw/zinc/87/54/39/1102875439.db2.gz ZSJMGYMEJJFHIW-QGZVFWFLSA-N -1 3 354.208 4.148 20 0 FIADHM Cc1cc(F)ccc1CN[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000551072133 1102893711 /nfs/dbraw/zinc/89/37/11/1102893711.db2.gz WZVNBOZESICZDC-MRXNPFEDSA-N -1 3 355.331 4.459 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(Cl)c(Br)c1)c1ccsc1 ZINC000426695070 1102936632 /nfs/dbraw/zinc/93/66/32/1102936632.db2.gz LTHRRUQPFUHDDY-ZDUSSCGKSA-N -1 3 374.687 4.470 20 0 FIADHM Cc1ccc([C@H](NCc2ccc(OC(F)F)c(Cl)c2)C(=O)[O-])cc1 ZINC000426715514 1102937410 /nfs/dbraw/zinc/93/74/10/1102937410.db2.gz RIWJOBHRBVBSEF-HNNXBMFYSA-N -1 3 355.768 4.165 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000426742421 1102959038 /nfs/dbraw/zinc/95/90/38/1102959038.db2.gz JPNBDLFLEYFVIY-MEDUHNTESA-N -1 3 355.331 4.396 20 0 FIADHM Cc1nc(C)c(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000426756654 1102971391 /nfs/dbraw/zinc/97/13/91/1102971391.db2.gz LRYBNKCQIGFCES-ZDUSSCGKSA-N -1 3 359.278 4.372 20 0 FIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc2cccnc12 ZINC000426763142 1102975546 /nfs/dbraw/zinc/97/55/46/1102975546.db2.gz QIEMHAQTBPMRFY-GOSISDBHSA-N -1 3 358.800 4.251 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc(Cl)cc(Cl)c2)c1 ZINC000426775500 1102981426 /nfs/dbraw/zinc/98/14/26/1102981426.db2.gz STZBSVWQOFKNTE-INIZCTEOSA-N -1 3 354.233 4.308 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc(Cl)cc3cccnc32)c1 ZINC000426779798 1102982471 /nfs/dbraw/zinc/98/24/71/1102982471.db2.gz LLRAHWYLXISSAP-SFHVURJKSA-N -1 3 370.836 4.202 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000426782328 1102983881 /nfs/dbraw/zinc/98/38/81/1102983881.db2.gz GJUYTCIDSDGIPK-INIZCTEOSA-N -1 3 371.330 4.159 20 0 FIADHM O=C([O-])[C@H](CCc1ccccc1)NCc1csc(-c2ccc(F)cc2)n1 ZINC000426784311 1102984770 /nfs/dbraw/zinc/98/47/70/1102984770.db2.gz QLWMSLDBSUHPIR-SFHVURJKSA-N -1 3 370.449 4.125 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cc3c(ccc(C)c3C)[nH]2)c1 ZINC000426766410 1102986095 /nfs/dbraw/zinc/98/60/95/1102986095.db2.gz DGZSRWMKLORTLC-FQEVSTJZSA-N -1 3 352.434 4.099 20 0 FIADHM Cc1cc([C@@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])ccc1Cl ZINC000426806373 1102988205 /nfs/dbraw/zinc/98/82/05/1102988205.db2.gz BTGNJDFHIVRUOS-OAHLLOKOSA-N -1 3 355.768 4.165 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccsc3)s2)c1 ZINC000426790000 1102991949 /nfs/dbraw/zinc/99/19/49/1102991949.db2.gz ZNTVEEVVZRANMZ-MRXNPFEDSA-N -1 3 374.487 4.186 20 0 FIADHM Cc1ncccc1CN[C@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000426791673 1102994069 /nfs/dbraw/zinc/99/40/69/1102994069.db2.gz GCZIBXAECKCLAL-MRXNPFEDSA-N -1 3 353.249 4.393 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc3ccccc3c2)cc1OC ZINC000426792404 1102994872 /nfs/dbraw/zinc/99/48/72/1102994872.db2.gz MFNQVSQKQSYACM-IBGZPJMESA-N -1 3 365.429 4.163 20 0 FIADHM COc1ccc([C@H](NCc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1F ZINC000426797263 1102996009 /nfs/dbraw/zinc/99/60/09/1102996009.db2.gz DNPWTVBRLPAIKN-HNNXBMFYSA-N -1 3 358.196 4.057 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(OCC(F)F)cc1)c1cccc(Cl)c1 ZINC000426797837 1102996956 /nfs/dbraw/zinc/99/69/56/1102996956.db2.gz GTNODWBEQWAJBP-INIZCTEOSA-N -1 3 369.795 4.290 20 0 FIADHM CCc1ccc([C@@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])cc1 ZINC000426800345 1102999499 /nfs/dbraw/zinc/99/94/99/1102999499.db2.gz NMPLDWWQUVPHMX-MRXNPFEDSA-N -1 3 366.230 4.066 20 0 FIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccccc2)sc1Br ZINC000426814172 1103008324 /nfs/dbraw/zinc/00/83/24/1103008324.db2.gz CYVFDMXRVZZVAF-ZDUSSCGKSA-N -1 3 354.269 4.125 20 0 FIADHM O=C([O-])C[C@@H](NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000426815782 1103009234 /nfs/dbraw/zinc/00/92/34/1103009234.db2.gz HDIWEWQEZOFYAF-OAHLLOKOSA-N -1 3 368.658 4.408 20 0 FIADHM Cc1cc([C@@H](NCc2ccc(OCC(F)F)cc2)C(=O)[O-])ccc1Cl ZINC000426825293 1103022379 /nfs/dbraw/zinc/02/23/79/1103022379.db2.gz APTQJFFRBCNTHG-QGZVFWFLSA-N -1 3 369.795 4.208 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000426827225 1103025502 /nfs/dbraw/zinc/02/55/02/1103025502.db2.gz RTAOWLHNRZLNSY-OAHLLOKOSA-N -1 3 368.658 4.408 20 0 FIADHM CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2[O-])cc1OC ZINC000532840204 1103264451 /nfs/dbraw/zinc/26/44/51/1103264451.db2.gz OXUSWFAGCXJPCN-UHFFFAOYSA-N -1 3 356.205 4.359 20 0 FIADHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cccs1 ZINC000078295294 1103273653 /nfs/dbraw/zinc/27/36/53/1103273653.db2.gz AEYQBGRQMOOAIM-LLVKDONJSA-N -1 3 354.460 4.436 20 0 FIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000475944239 1103278428 /nfs/dbraw/zinc/27/84/28/1103278428.db2.gz DCDULHJWUKDWPR-UHFFFAOYSA-N -1 3 368.462 4.323 20 0 FIADHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000507331453 1103309536 /nfs/dbraw/zinc/30/95/36/1103309536.db2.gz UNTLVLNPIWAXOZ-LBPRGKRZSA-N -1 3 374.289 4.048 20 0 FIADHM Cc1c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cccc1-c1ncco1 ZINC000427303381 1103431378 /nfs/dbraw/zinc/43/13/78/1103431378.db2.gz ZOTAVXYVKJYJIH-UHFFFAOYSA-N -1 3 372.446 4.238 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000519860107 1103911581 /nfs/dbraw/zinc/91/15/81/1103911581.db2.gz YINQXNKBUXQNPW-IBGZPJMESA-N -1 3 367.424 4.449 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c1Cl ZINC000519891108 1103928342 /nfs/dbraw/zinc/92/83/42/1103928342.db2.gz HQMYCBVCEZBOGD-UHFFFAOYSA-N -1 3 366.216 4.059 20 0 FIADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440981856 1104053748 /nfs/dbraw/zinc/05/37/48/1104053748.db2.gz IFPDYAOTTKESFL-MRVPVSSYSA-N -1 3 361.266 4.095 20 0 FIADHM O=C(Cc1ccccc1Br)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440979297 1104061935 /nfs/dbraw/zinc/06/19/35/1104061935.db2.gz DVBCAZIDEUGMFH-UHFFFAOYSA-N -1 3 374.156 4.355 20 0 FIADHM COc1cc(C2(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CC2)ccc1C ZINC000440987126 1104070453 /nfs/dbraw/zinc/07/04/53/1104070453.db2.gz RGXSTQUTEKITBV-UHFFFAOYSA-N -1 3 365.351 4.398 20 0 FIADHM CCCc1ncc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)s1 ZINC000461116043 1104113783 /nfs/dbraw/zinc/11/37/83/1104113783.db2.gz JEGVGUQYDCHZIU-UHFFFAOYSA-N -1 3 362.505 4.351 20 0 FIADHM O=C(CCCn1ccc2cc(Cl)ccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000536299933 1104620557 /nfs/dbraw/zinc/62/05/57/1104620557.db2.gz QCXMCEPOIDTNLF-UHFFFAOYSA-N -1 3 369.812 4.092 20 0 FIADHM O=S(=O)([N-][C@@H](c1cccs1)c1ccc(Cl)cc1)c1ccco1 ZINC000188610286 1104743907 /nfs/dbraw/zinc/74/39/07/1104743907.db2.gz VGBWSVBTMXWNMV-OAHLLOKOSA-N -1 3 353.852 4.062 20 0 FIADHM O=S(=O)([N-][C@H](c1ccsc1)c1ccc(Cl)cc1)c1ccco1 ZINC000188632040 1104745561 /nfs/dbraw/zinc/74/55/61/1104745561.db2.gz IJIHMDALDONCBP-HNNXBMFYSA-N -1 3 353.852 4.062 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c([O-])c1 ZINC000188880284 1104763067 /nfs/dbraw/zinc/76/30/67/1104763067.db2.gz HCGURKYCVLLMAV-UHFFFAOYSA-N -1 3 350.374 4.052 20 0 FIADHM C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000189919474 1104864478 /nfs/dbraw/zinc/86/44/78/1104864478.db2.gz PEAAWGNFKQSLIB-LBPRGKRZSA-N -1 3 374.362 4.080 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]nc1-c1ccc(Cl)s1 ZINC000427653649 1105230326 /nfs/dbraw/zinc/23/03/26/1105230326.db2.gz ZUOVTBBMRUWKEW-UHFFFAOYSA-N -1 3 354.218 4.403 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1F ZINC000508160082 1105343850 /nfs/dbraw/zinc/34/38/50/1105343850.db2.gz IMKXQEPIYUCNPH-MRXNPFEDSA-N -1 3 357.759 4.036 20 0 FIADHM Cc1cc(Br)c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1Cl ZINC000530166518 1106871764 /nfs/dbraw/zinc/87/17/64/1106871764.db2.gz PSBNRIGBVJQYSZ-JVLSTEMRSA-N -1 3 372.690 4.096 20 0 FIADHM CC(C)O[C@@H](CN1CCc2c(F)ccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000530168188 1106876479 /nfs/dbraw/zinc/87/64/79/1106876479.db2.gz JNBZJWGJRVIECJ-FQEVSTJZSA-N -1 3 357.425 4.048 20 0 FIADHM Cc1cc(Br)c(CN([C@@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC000530164338 1106898421 /nfs/dbraw/zinc/89/84/21/1106898421.db2.gz DCEZRIBKSKWZBJ-JTQLQIEISA-N -1 3 360.679 4.239 20 0 FIADHM O=C([O-])[C@H](CCN1CCc2c(cccc2C(F)(F)F)C1)c1ccccc1 ZINC000530171816 1106902792 /nfs/dbraw/zinc/90/27/92/1106902792.db2.gz GEZZSENUUPILME-QGZVFWFLSA-N -1 3 363.379 4.322 20 0 FIADHM Cc1nc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)oc1-c1ccc(Cl)cc1 ZINC000530175143 1106904072 /nfs/dbraw/zinc/90/40/72/1106904072.db2.gz NYLUKTLYKYIHBU-JJLQDPRZSA-N -1 3 362.857 4.377 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C(F)(F)F)cc3)nc2)n1 ZINC000301190721 1106958948 /nfs/dbraw/zinc/95/89/48/1106958948.db2.gz WCQOTGHINICMQV-UHFFFAOYSA-N -1 3 374.366 4.438 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H]3CCCc4ccccc43)nc2)n1 ZINC000301191496 1106959430 /nfs/dbraw/zinc/95/94/30/1106959430.db2.gz ZLHJSUNWJVUQJA-INIZCTEOSA-N -1 3 360.461 4.339 20 0 FIADHM CC[C@H](C)c1cccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001626412580 1106972651 /nfs/dbraw/zinc/97/26/51/1106972651.db2.gz ZMTNGYHXFFBSIY-UWVGGRQHSA-N -1 3 355.364 4.220 20 0 FIADHM Cc1nc(-c2ccc(N(C)[C@H](C)c3ccccc3F)nc2)[n-]c(=O)c1C ZINC000301498922 1107050559 /nfs/dbraw/zinc/05/05/59/1107050559.db2.gz CSPJYSWCDQSZSA-CQSZACIVSA-N -1 3 352.413 4.198 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)c3ccc(F)cc3)nc2)n1 ZINC000301504968 1107051986 /nfs/dbraw/zinc/05/19/86/1107051986.db2.gz GLRKDCWNMUULDP-CYBMUJFWSA-N -1 3 352.413 4.143 20 0 FIADHM CCS[C@H]1CCC[C@H](Nc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000301509704 1107052476 /nfs/dbraw/zinc/05/24/76/1107052476.db2.gz CRNPEHYJSLXKOC-HOTGVXAUSA-N -1 3 358.511 4.283 20 0 FIADHM CCS[C@@H]1CCC[C@@H](Nc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000301509705 1107053663 /nfs/dbraw/zinc/05/36/63/1107053663.db2.gz CRNPEHYJSLXKOC-HZPDHXFCSA-N -1 3 358.511 4.283 20 0 FIADHM CCS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301539955 1107064262 /nfs/dbraw/zinc/06/42/62/1107064262.db2.gz JTFYEBNGXGHKQO-HZPDHXFCSA-N -1 3 358.511 4.283 20 0 FIADHM CCc1ncnc(Sc2nnc([N-]c3ccccc3F)s2)c1F ZINC000301868928 1107190220 /nfs/dbraw/zinc/19/02/20/1107190220.db2.gz CHODHNWQRFLMAV-UHFFFAOYSA-N -1 3 351.407 4.064 20 0 FIADHM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCC(OC2CCCC2)CC1 ZINC000521447553 1107231587 /nfs/dbraw/zinc/23/15/87/1107231587.db2.gz ZKCHDYRDYVEGLL-QGZVFWFLSA-N -1 3 371.399 4.255 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCc4nc(C)sc43)nc2)n1 ZINC000302045280 1107274275 /nfs/dbraw/zinc/27/42/75/1107274275.db2.gz UDVMCCUAXDPTNU-OAHLLOKOSA-N -1 3 367.478 4.061 20 0 FIADHM CCc1cccc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1[O-] ZINC000530716447 1107280908 /nfs/dbraw/zinc/28/09/08/1107280908.db2.gz UZNOOYQXGKPXJJ-UHFFFAOYSA-N -1 3 364.445 4.314 20 0 FIADHM Cc1cc(C)c(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)cc1C ZINC000007756614 1107460210 /nfs/dbraw/zinc/46/02/10/1107460210.db2.gz DZRFICFAIHDTFW-UHFFFAOYSA-N -1 3 357.391 4.489 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])C1CC(c2cccc(F)c2)C1 ZINC000531015455 1107464768 /nfs/dbraw/zinc/46/47/68/1107464768.db2.gz SFBUHHPFRXSIOQ-UHFFFAOYSA-N -1 3 364.214 4.426 20 0 FIADHM O=C(Cc1ccccc1C(F)(F)F)Nc1cc(Br)ccc1[O-] ZINC000531254180 1107702791 /nfs/dbraw/zinc/70/27/91/1107702791.db2.gz UFAHHVXKLGFPJJ-UHFFFAOYSA-N -1 3 374.156 4.355 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000531253826 1107704214 /nfs/dbraw/zinc/70/42/14/1107704214.db2.gz JIDDXIGHDDLVNP-NEPJUHHUSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(CCCc1ccccc1)[N-]OCc1csc(Cc2ccccc2)n1 ZINC000303558768 1107710827 /nfs/dbraw/zinc/71/08/27/1107710827.db2.gz WRTHDMPFEZUAPV-UHFFFAOYSA-N -1 3 366.486 4.305 20 0 FIADHM CC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccc(F)cc1 ZINC001137753397 1107825031 /nfs/dbraw/zinc/82/50/31/1107825031.db2.gz KJPZNTJWYMRYFQ-OAHLLOKOSA-N -1 3 352.203 4.175 20 0 FIADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc(SC)ccc2[O-])cc1OC ZINC000665833005 1107842929 /nfs/dbraw/zinc/84/29/29/1107842929.db2.gz PIEOHGBKOZCJOB-INIZCTEOSA-N -1 3 373.474 4.109 20 0 FIADHM CC(C)OC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000531398959 1107855183 /nfs/dbraw/zinc/85/51/83/1107855183.db2.gz TVACLOONBVUARO-UHFFFAOYSA-N -1 3 367.489 4.207 20 0 FIADHM C[C@H](SC[C@H]1CCOC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000546542426 1107964354 /nfs/dbraw/zinc/96/43/54/1107964354.db2.gz UEILRPVJBPRSKQ-QWRGUYRKSA-N -1 3 362.476 4.488 20 0 FIADHM COc1ccc2oc([C@@H](C)NC(=O)NCc3ccc([O-])c(F)c3)c(C)c2c1 ZINC000523432639 1108202930 /nfs/dbraw/zinc/20/29/30/1108202930.db2.gz VLJOHEPOTQKUOE-GFCCVEGCSA-N -1 3 372.396 4.155 20 0 FIADHM CCCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(OC)cc1 ZINC000523465705 1108239025 /nfs/dbraw/zinc/23/90/25/1108239025.db2.gz LGTPNYGTCNJIBF-GOSISDBHSA-N -1 3 360.429 4.271 20 0 FIADHM CCO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000444983324 1108344482 /nfs/dbraw/zinc/34/44/82/1108344482.db2.gz ZVHWCWAHNWKJRW-HNNXBMFYSA-N -1 3 374.289 4.050 20 0 FIADHM C[C@@H](NC(=O)Cc1noc(-c2cc3ccccc3cc2[O-])n1)c1ccccc1 ZINC000445290557 1108619230 /nfs/dbraw/zinc/61/92/30/1108619230.db2.gz CKKBDYHEKHXRQN-CQSZACIVSA-N -1 3 373.412 4.015 20 0 FIADHM C[C@@H](CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000523880711 1108641847 /nfs/dbraw/zinc/64/18/47/1108641847.db2.gz SFULMJDCHBFKQU-AWEZNQCLSA-N -1 3 362.458 4.417 20 0 FIADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2ccc(Br)cn2)c1F ZINC000453610893 1108656768 /nfs/dbraw/zinc/65/67/68/1108656768.db2.gz JSGWOGQONDYJIQ-CQSZACIVSA-N -1 3 369.209 4.165 20 0 FIADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cc(=O)c2ccccc2[n-]1 ZINC000523952828 1108698978 /nfs/dbraw/zinc/69/89/78/1108698978.db2.gz HLMGFPPZQQHNKS-GOSISDBHSA-N -1 3 374.465 4.303 20 0 FIADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000532291993 1108746403 /nfs/dbraw/zinc/74/64/03/1108746403.db2.gz OFCJDCUCYKKKNK-UHFFFAOYSA-N -1 3 357.406 4.302 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC3(CC(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000532304352 1108757234 /nfs/dbraw/zinc/75/72/34/1108757234.db2.gz DCHOJVLNKDVOGH-UHFFFAOYSA-N -1 3 354.454 4.105 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c(C)c1 ZINC000016121990 1108824953 /nfs/dbraw/zinc/82/49/53/1108824953.db2.gz YKXCXZBRAVWHHV-UHFFFAOYSA-N -1 3 360.479 4.007 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2cncs2)no1 ZINC000445578894 1108901326 /nfs/dbraw/zinc/90/13/26/1108901326.db2.gz JBXMIWHIZXFWNC-UHFFFAOYSA-N -1 3 351.387 4.145 20 0 FIADHM Cc1cccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)c1 ZINC000445874941 1109029904 /nfs/dbraw/zinc/02/99/04/1109029904.db2.gz ILRUFEYMZWFOIM-OAHLLOKOSA-N -1 3 364.323 4.165 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c1Cl ZINC000428421110 1109038410 /nfs/dbraw/zinc/03/84/10/1109038410.db2.gz JMCGTJBTSWRDBJ-SNVBAGLBSA-N -1 3 360.262 4.047 20 0 FIADHM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccncn2)cc1 ZINC000445936334 1109046572 /nfs/dbraw/zinc/04/65/72/1109046572.db2.gz ZMWAYCBNOHJXMO-UHFFFAOYSA-N -1 3 357.369 4.015 20 0 FIADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000446107929 1109108799 /nfs/dbraw/zinc/10/87/99/1109108799.db2.gz KZVPGUIOACGHAN-UHFFFAOYSA-N -1 3 374.755 4.173 20 0 FIADHM [O-]c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1Br ZINC000446150467 1109123773 /nfs/dbraw/zinc/12/37/73/1109123773.db2.gz XWZWHARCWKMITC-UHFFFAOYSA-N -1 3 358.117 4.112 20 0 FIADHM [O-]c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1Br ZINC000446150467 1109123778 /nfs/dbraw/zinc/12/37/78/1109123778.db2.gz XWZWHARCWKMITC-UHFFFAOYSA-N -1 3 358.117 4.112 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC4(C3)CCCCC4)cc2)cc(=O)[n-]1 ZINC000524750222 1109136854 /nfs/dbraw/zinc/13/68/54/1109136854.db2.gz UCIVDFSJFRJXPI-UHFFFAOYSA-N -1 3 366.465 4.346 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)c(F)c1 ZINC000525184360 1109295011 /nfs/dbraw/zinc/29/50/11/1109295011.db2.gz ADKDYIGDZXKGTJ-LLVKDONJSA-N -1 3 361.360 4.192 20 0 FIADHM O=S(=O)(Cc1ccccc1Cl)[N-]c1c(F)cccc1N1CCCC1 ZINC000446813245 1109342612 /nfs/dbraw/zinc/34/26/12/1109342612.db2.gz FGQINSWIYWSCAO-UHFFFAOYSA-N -1 3 368.861 4.021 20 0 FIADHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000525934732 1109565314 /nfs/dbraw/zinc/56/53/14/1109565314.db2.gz RXNBJBCFACEUKP-UHFFFAOYSA-N -1 3 363.413 4.248 20 0 FIADHM Cc1ccc([O-])c(NC(=O)c2cccnc2SCc2ccc(F)cc2)n1 ZINC000447635606 1109604678 /nfs/dbraw/zinc/60/46/78/1109604678.db2.gz BVRDVFOIZKCWFZ-UHFFFAOYSA-N -1 3 369.421 4.174 20 0 FIADHM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000526913209 1109645674 /nfs/dbraw/zinc/64/56/74/1109645674.db2.gz MELNLTGFRRCVEY-OAHLLOKOSA-N -1 3 369.461 4.129 20 0 FIADHM CCNc1cnc(-c2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)cn1 ZINC000448509206 1109811520 /nfs/dbraw/zinc/81/15/20/1109811520.db2.gz BBVIOVSFXXAYGC-UHFFFAOYSA-N -1 3 367.409 4.092 20 0 FIADHM O=C(c1cc([O-])cc(Br)c1)N(Cc1cccs1)C1CC1 ZINC000527830441 1109834124 /nfs/dbraw/zinc/83/41/24/1109834124.db2.gz DBSNLHNLQFLMOR-UHFFFAOYSA-N -1 3 352.253 4.021 20 0 FIADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]1c1ccsc1 ZINC000527978717 1109873425 /nfs/dbraw/zinc/87/34/25/1109873425.db2.gz LKPSLTDTWGYUCO-CQSZACIVSA-N -1 3 352.253 4.194 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000529439387 1110266852 /nfs/dbraw/zinc/26/68/52/1110266852.db2.gz OQPQJAXOWNEODT-WDEREUQCSA-N -1 3 352.253 4.267 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCC(CSC)CC3)nc2)n1 ZINC000450654828 1110325196 /nfs/dbraw/zinc/32/51/96/1110325196.db2.gz SLJGIZOYGXQBMU-UHFFFAOYSA-N -1 3 358.511 4.140 20 0 FIADHM COc1ccc2oc(C(=O)[N-]c3c(F)cc(C(C)=O)cc3F)c(C)c2c1 ZINC000538543399 1111177981 /nfs/dbraw/zinc/17/79/81/1111177981.db2.gz PFLYAAAQRUJOKF-UHFFFAOYSA-N -1 3 359.328 4.483 20 0 FIADHM COc1cccc(-c2nc(C(=O)[N-]c3nc(CC(C)(C)C)cs3)no2)c1 ZINC000538533475 1111181663 /nfs/dbraw/zinc/18/16/63/1111181663.db2.gz JOWNHMPQPJMOLK-UHFFFAOYSA-N -1 3 372.450 4.043 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000539106795 1111425267 /nfs/dbraw/zinc/42/52/67/1111425267.db2.gz IOXDCNOEDKOJOT-GOSISDBHSA-N -1 3 361.850 4.309 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000539103238 1111435286 /nfs/dbraw/zinc/43/52/86/1111435286.db2.gz AJTHRINCEAVIAM-CHWSQXEVSA-N -1 3 350.187 4.036 20 0 FIADHM COc1cccc(F)c1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000462111340 1111501208 /nfs/dbraw/zinc/50/12/08/1111501208.db2.gz JDWPJNCBTJXOOQ-UHFFFAOYSA-N -1 3 363.801 4.259 20 0 FIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000552039901 1111553359 /nfs/dbraw/zinc/55/33/59/1111553359.db2.gz IFVRHDLIJPACOB-UHFFFAOYSA-N -1 3 354.435 4.248 20 0 FIADHM COc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])ccc1OC1CCCC1 ZINC000552070036 1111566609 /nfs/dbraw/zinc/56/66/09/1111566609.db2.gz ZBQMCRNHMDAEBO-UHFFFAOYSA-N -1 3 369.417 4.177 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000552288371 1111651522 /nfs/dbraw/zinc/65/15/22/1111651522.db2.gz RTRPKOOVNHCUHI-NSHDSACASA-N -1 3 365.351 4.431 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478220807 1111719207 /nfs/dbraw/zinc/71/92/07/1111719207.db2.gz ATASDPSRQYMZEN-SJLPKXTDSA-N -1 3 359.416 4.446 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1ccc(OC2CCCC2)cc1 ZINC000552779874 1111810338 /nfs/dbraw/zinc/81/03/38/1111810338.db2.gz KYLTZDBYDYJRIY-UHFFFAOYSA-N -1 3 371.452 4.492 20 0 FIADHM CCSc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000479223620 1111966849 /nfs/dbraw/zinc/96/68/49/1111966849.db2.gz WHVWWMFZBNXQPG-UHFFFAOYSA-N -1 3 366.280 4.197 20 0 FIADHM C[C@@H](SCc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000479709004 1112117872 /nfs/dbraw/zinc/11/78/72/1112117872.db2.gz VEGAQTKHIXEKJP-SNVBAGLBSA-N -1 3 360.435 4.045 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1(c2ccccc2)CCCC1 ZINC000479761779 1112134327 /nfs/dbraw/zinc/13/43/27/1112134327.db2.gz CMBFBPVECOGMDI-INIZCTEOSA-N -1 3 360.457 4.158 20 0 FIADHM CC(C)c1nn(C)c2sc(C(=O)N=c3cc(-c4ccccc4)o[n-]3)cc12 ZINC000479835576 1112157725 /nfs/dbraw/zinc/15/77/25/1112157725.db2.gz GNAUERXKGKLJGF-UHFFFAOYSA-N -1 3 366.446 4.087 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccoc2C(C)C)[nH][n-]1 ZINC000479939597 1112206360 /nfs/dbraw/zinc/20/63/60/1112206360.db2.gz KJVZVXPHNFVTSI-UHFFFAOYSA-N -1 3 359.813 4.129 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898417745 1112230457 /nfs/dbraw/zinc/23/04/57/1112230457.db2.gz QDVZKYUKIYBDCV-FQEVSTJZSA-N -1 3 354.425 4.003 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480209529 1112333153 /nfs/dbraw/zinc/33/31/53/1112333153.db2.gz NTUMJVBNAFRXDF-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480623815 1112514022 /nfs/dbraw/zinc/51/40/22/1112514022.db2.gz GVXGWAXKDBJAAR-OALUTQOASA-N -1 3 360.413 4.108 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c(C)c1 ZINC000481589895 1112987355 /nfs/dbraw/zinc/98/73/55/1112987355.db2.gz CGUVITNAMCDOCH-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2cccc(F)c2O1 ZINC000481850257 1113100522 /nfs/dbraw/zinc/10/05/22/1113100522.db2.gz VPMUXXIELDLLRI-LLVKDONJSA-N -1 3 365.364 4.008 20 0 FIADHM O=c1nc(COc2ccc(Cl)c(F)c2)[n-]c2sc3c(c21)CCC3 ZINC000668142562 1113377893 /nfs/dbraw/zinc/37/78/93/1113377893.db2.gz UPRUCSNNFIAZCT-UHFFFAOYSA-N -1 3 350.802 4.257 20 0 FIADHM Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1Br ZINC000486073082 1113501563 /nfs/dbraw/zinc/50/15/63/1113501563.db2.gz BWVRTCPWLMVPGL-DUXPYHPUSA-N -1 3 368.234 4.073 20 0 FIADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1OCCc2sccc21 ZINC000486107379 1113506766 /nfs/dbraw/zinc/50/67/66/1113506766.db2.gz QQZSJQZQRZRGTR-BJOHPYRUSA-N -1 3 371.380 4.361 20 0 FIADHM CCOc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OCC(F)(F)F ZINC000486128760 1113511394 /nfs/dbraw/zinc/51/13/94/1113511394.db2.gz ZONPMBCBYPYGLH-FNORWQNLSA-N -1 3 354.328 4.001 20 0 FIADHM CC(C)c1cccnc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907116479 1113514285 /nfs/dbraw/zinc/51/42/85/1113514285.db2.gz OVOUUIBBNUYLET-UHFFFAOYSA-N -1 3 362.455 4.261 20 0 FIADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486430192 1113566451 /nfs/dbraw/zinc/56/64/51/1113566451.db2.gz OVOKIYSUVNSNRP-KYOSRNDESA-N -1 3 367.287 4.017 20 0 FIADHM CCN(CC)[C@H](CNc1ccc(C(=O)[O-])c(C)n1)c1ccccc1Cl ZINC000910276447 1113845555 /nfs/dbraw/zinc/84/55/55/1113845555.db2.gz FKGRLGJIASJRAR-QGZVFWFLSA-N -1 3 361.873 4.237 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000488209810 1113881453 /nfs/dbraw/zinc/88/14/53/1113881453.db2.gz KHTCKEWWATZBKH-UHFFFAOYSA-N -1 3 368.433 4.462 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1COc2ccc(Cl)cc21 ZINC000489053926 1114038119 /nfs/dbraw/zinc/03/81/19/1114038119.db2.gz XQAXMEOIZIXLPL-LLVKDONJSA-N -1 3 357.715 4.179 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000489155132 1114061541 /nfs/dbraw/zinc/06/15/41/1114061541.db2.gz HKOQHZVDZJAQPU-GFCCVEGCSA-N -1 3 354.834 4.123 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3ccc(C)cc3)c2)n1 ZINC000044197174 1114068904 /nfs/dbraw/zinc/06/89/04/1114068904.db2.gz TZROSWFWGCNULD-UHFFFAOYSA-N -1 3 364.474 4.117 20 0 FIADHM COc1cc(C(=O)N(Cc2cccc(C)c2)CC(C)C)cc(OC)c1[O-] ZINC000489362048 1114096152 /nfs/dbraw/zinc/09/61/52/1114096152.db2.gz NNHOKXIGFGZCSP-UHFFFAOYSA-N -1 3 357.450 4.016 20 0 FIADHM C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000489409301 1114103153 /nfs/dbraw/zinc/10/31/53/1114103153.db2.gz OYWNJUOMNLMAGU-SECBINFHSA-N -1 3 370.630 4.214 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)C[C@H](c2ccccc2)C(F)(F)F)[nH][n-]1 ZINC000489928038 1114188765 /nfs/dbraw/zinc/18/87/65/1114188765.db2.gz AIUWWRJEXXWADI-MRXNPFEDSA-N -1 3 373.378 4.482 20 0 FIADHM CC(F)(F)c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000490150992 1114218907 /nfs/dbraw/zinc/21/89/07/1114218907.db2.gz ORSLQUVBEOFQRP-UHFFFAOYSA-N -1 3 351.368 4.282 20 0 FIADHM COc1cc(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)cc(OC)c1[O-] ZINC000490208925 1114232383 /nfs/dbraw/zinc/23/23/83/1114232383.db2.gz FMIBUHBBEUHWLN-LJQANCHMSA-N -1 3 357.450 4.235 20 0 FIADHM COc1cccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1C ZINC000913004015 1114275599 /nfs/dbraw/zinc/27/55/99/1114275599.db2.gz SWVYETAGKMELBT-UHFFFAOYSA-N -1 3 363.439 4.059 20 0 FIADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000490453166 1114289082 /nfs/dbraw/zinc/28/90/82/1114289082.db2.gz YDNXKOGFSVCXGQ-QGZVFWFLSA-N -1 3 358.438 4.449 20 0 FIADHM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000490453166 1114289086 /nfs/dbraw/zinc/28/90/86/1114289086.db2.gz YDNXKOGFSVCXGQ-QGZVFWFLSA-N -1 3 358.438 4.449 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCOc2ccccc2C1 ZINC000586753135 1114388408 /nfs/dbraw/zinc/38/84/08/1114388408.db2.gz FUEUXKCIBCOTAR-UHFFFAOYSA-N -1 3 359.425 4.018 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1csc(-c2ccoc2)n1 ZINC000571389915 1114461041 /nfs/dbraw/zinc/46/10/41/1114461041.db2.gz AXANADQTQUUVQE-UHFFFAOYSA-N -1 3 371.809 4.094 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)cc1C ZINC000588632421 1114588555 /nfs/dbraw/zinc/58/85/55/1114588555.db2.gz JMXSIQWNMTZWRC-UHFFFAOYSA-N -1 3 355.406 4.057 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1[O-] ZINC000572155278 1114607180 /nfs/dbraw/zinc/60/71/80/1114607180.db2.gz HWSHUNGJLILEDD-UHFFFAOYSA-N -1 3 373.408 4.387 20 0 FIADHM CCOc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1OC ZINC000032070293 1114618648 /nfs/dbraw/zinc/61/86/48/1114618648.db2.gz CTYIUGHCBYNTBL-YBFXNURJSA-N -1 3 364.239 4.181 20 0 FIADHM Cc1nc(C)c(Cc2nc([C@H](c3ccc(Cl)cc3)C(C)C)no2)c(=O)[n-]1 ZINC000572231209 1114624386 /nfs/dbraw/zinc/62/43/86/1114624386.db2.gz BXNGTAXABUIOEB-KRWDZBQOSA-N -1 3 372.856 4.214 20 0 FIADHM CSc1ccc(Cl)c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000588926645 1114675435 /nfs/dbraw/zinc/67/54/35/1114675435.db2.gz NHFBDGLMCLAUKC-UHFFFAOYSA-N -1 3 357.866 4.435 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000590103367 1114894668 /nfs/dbraw/zinc/89/46/68/1114894668.db2.gz VCUAIDGVXXRVBG-VHSXEESVSA-N -1 3 363.204 4.114 20 0 FIADHM Cc1nnc([N-]C(=O)c2sc(-c3ccc(Cl)s3)nc2C)s1 ZINC000068753970 1114906280 /nfs/dbraw/zinc/90/62/80/1114906280.db2.gz XSKXQMMKNLTYEP-UHFFFAOYSA-N -1 3 356.885 4.246 20 0 FIADHM O=C([O-])c1sccc1CN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000572967977 1114939844 /nfs/dbraw/zinc/93/98/44/1114939844.db2.gz WNTZWCICYZKKFO-GFCCVEGCSA-N -1 3 372.273 4.406 20 0 FIADHM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cc([O-])ccc1Cl ZINC000573491815 1115131573 /nfs/dbraw/zinc/13/15/73/1115131573.db2.gz ITYLAGGBBPUIPR-UHFFFAOYSA-N -1 3 356.687 4.458 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CC[C@H](c2cccnc2)C1 ZINC000573807951 1115183224 /nfs/dbraw/zinc/18/32/24/1115183224.db2.gz FIIJOQQTIHSUMQ-BLLLJJGKSA-N -1 3 351.233 4.004 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000669478931 1115308517 /nfs/dbraw/zinc/30/85/17/1115308517.db2.gz TZZRRNUJQLBFAM-JVPBZIDWSA-N -1 3 369.461 4.275 20 0 FIADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccnc(Cl)c1F ZINC000158108388 1115492736 /nfs/dbraw/zinc/49/27/36/1115492736.db2.gz MUQAUQYXVZEWST-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC[C@H]1c1cccs1 ZINC000575065231 1115532343 /nfs/dbraw/zinc/53/23/43/1115532343.db2.gz BFTJYRKQECHYKN-AWEZNQCLSA-N -1 3 354.431 4.438 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000158265307 1115547768 /nfs/dbraw/zinc/54/77/68/1115547768.db2.gz PDPDEDYRXJJOCS-INIZCTEOSA-N -1 3 354.834 4.241 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000158265307 1115547771 /nfs/dbraw/zinc/54/77/71/1115547771.db2.gz PDPDEDYRXJJOCS-INIZCTEOSA-N -1 3 354.834 4.241 20 0 FIADHM C[C@H](SCC1(C)COC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000596324209 1115584042 /nfs/dbraw/zinc/58/40/42/1115584042.db2.gz VACYQVSOELQPGH-JTQLQIEISA-N -1 3 362.476 4.488 20 0 FIADHM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000597205544 1115649685 /nfs/dbraw/zinc/64/96/85/1115649685.db2.gz JVMUHBLKIKIQRJ-MRXNPFEDSA-N -1 3 367.232 4.294 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3c(F)cccc3F)nc2)n1 ZINC000597920440 1115695280 /nfs/dbraw/zinc/69/52/80/1115695280.db2.gz YVOCHRMPZWBRIO-NSHDSACASA-N -1 3 356.376 4.258 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](Cc4ccccc4)C3)nc2)n1 ZINC000597939429 1115698159 /nfs/dbraw/zinc/69/81/59/1115698159.db2.gz JMDDRVVROBBKTE-SFHVURJKSA-N -1 3 374.488 4.266 20 0 FIADHM CCC(C)(C)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000060944242 1115735674 /nfs/dbraw/zinc/73/56/74/1115735674.db2.gz HRHHKHKMKOKILT-UHFFFAOYSA-N -1 3 366.461 4.089 20 0 FIADHM Cc1ccc(N(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000170651482 1115746757 /nfs/dbraw/zinc/74/67/57/1115746757.db2.gz KSTNDAZDLWAZRM-UHFFFAOYSA-N -1 3 351.431 4.189 20 0 FIADHM c1[n-][nH]c2ncnc(=N[C@H](c3ccccc3)c3cccc4ccccc43)c1-2 ZINC000599944196 1115856048 /nfs/dbraw/zinc/85/60/48/1115856048.db2.gz YIKIANBOCBWHIS-HXUWFJFHSA-N -1 3 351.413 4.081 20 0 FIADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000606419022 1115942027 /nfs/dbraw/zinc/94/20/27/1115942027.db2.gz JGGVNCWGPGHXIH-AOMKIAJQSA-N -1 3 360.457 4.450 20 0 FIADHM COc1cccc(Nc2ccccc2C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000606536685 1115953914 /nfs/dbraw/zinc/95/39/14/1115953914.db2.gz RBCHZGBSHACPMP-UHFFFAOYSA-N -1 3 366.392 4.214 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(COc2cccc(F)c2)c1 ZINC000606537018 1115954011 /nfs/dbraw/zinc/95/40/11/1115954011.db2.gz UWHWGWXMAWTNCI-UHFFFAOYSA-N -1 3 369.367 4.179 20 0 FIADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606714573 1115965397 /nfs/dbraw/zinc/96/53/97/1115965397.db2.gz ILQLBWJUEOYCNP-LLVKDONJSA-N -1 3 370.346 4.453 20 0 FIADHM CC(C)c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(C(C)C)c1 ZINC000606750493 1115967604 /nfs/dbraw/zinc/96/76/04/1115967604.db2.gz YXZCEFLSXXIILI-UHFFFAOYSA-N -1 3 372.440 4.033 20 0 FIADHM Cc1ccc(F)c(NC(=S)N[N-]C(=O)c2cccc(Cl)c2Cl)c1 ZINC000063345406 1116049876 /nfs/dbraw/zinc/04/98/76/1116049876.db2.gz ILRHSTHPEZTYEY-UHFFFAOYSA-N -1 3 372.252 4.072 20 0 FIADHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000608033201 1116078936 /nfs/dbraw/zinc/07/89/36/1116078936.db2.gz ZKKKAWONBHTBDT-ZBFHGGJFSA-N -1 3 356.274 4.002 20 0 FIADHM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000608354780 1116101496 /nfs/dbraw/zinc/10/14/96/1116101496.db2.gz UJEATPRYMNKQNP-UHFFFAOYSA-N -1 3 374.868 4.416 20 0 FIADHM C[C@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccco1 ZINC000608359925 1116102001 /nfs/dbraw/zinc/10/20/01/1116102001.db2.gz PHBGCSFHRJYNGM-VIFPVBQESA-N -1 3 350.205 4.141 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(N2CCCC2=O)ccc1Cl ZINC000534076518 1116156425 /nfs/dbraw/zinc/15/64/25/1116156425.db2.gz GIUJCVYKBULVNQ-UHFFFAOYSA-N -1 3 365.216 4.078 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c([O-])c1 ZINC000534093130 1116158158 /nfs/dbraw/zinc/15/81/58/1116158158.db2.gz DQXNJYGRNBATSN-UHFFFAOYSA-N -1 3 372.179 4.267 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000534094122 1116158210 /nfs/dbraw/zinc/15/82/10/1116158210.db2.gz JHUSYVPXYIETHT-GFCCVEGCSA-N -1 3 353.374 4.057 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1cnc2ccsc2c1 ZINC000534205233 1116169128 /nfs/dbraw/zinc/16/91/28/1116169128.db2.gz UUBYYLHQRDWFIT-UHFFFAOYSA-N -1 3 359.259 4.404 20 0 FIADHM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc2oc3ccccc3c2c1 ZINC000534977449 1116257645 /nfs/dbraw/zinc/25/76/45/1116257645.db2.gz UCRTYHDSUNTNNV-UHFFFAOYSA-N -1 3 371.389 4.018 20 0 FIADHM C[C@@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000535120989 1116271426 /nfs/dbraw/zinc/27/14/26/1116271426.db2.gz SFLLROQFBBAUMY-LBPRGKRZSA-N -1 3 374.366 4.045 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N(c1ccc(F)cc1)C1CCCC1 ZINC001127227784 1116292821 /nfs/dbraw/zinc/29/28/21/1116292821.db2.gz WZNSPGWVAYVEEF-UHFFFAOYSA-N -1 3 350.393 4.257 20 0 FIADHM CCCOc1ccc(Br)cc1C[S@@](=O)c1ccc([O-])cc1 ZINC000462526280 1116366549 /nfs/dbraw/zinc/36/65/49/1116366549.db2.gz DRSUJXCYJZXTOB-OAQYLSRUSA-N -1 3 369.280 4.251 20 0 FIADHM CCc1cccc(C(=O)Nc2cccc(OCc3cscn3)c2)c1[O-] ZINC000539841224 1116389638 /nfs/dbraw/zinc/38/96/38/1116389638.db2.gz LZQGDKIJXATUPM-UHFFFAOYSA-N -1 3 354.431 4.242 20 0 FIADHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000462698632 1116392414 /nfs/dbraw/zinc/39/24/14/1116392414.db2.gz CUURIHOUXJOUFY-GFCCVEGCSA-N -1 3 374.289 4.048 20 0 FIADHM O=C(CCc1cncc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000462773712 1117768805 /nfs/dbraw/zinc/76/88/05/1117768805.db2.gz DZSGZOJSAXTTEL-UHFFFAOYSA-N -1 3 371.234 4.274 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)CC(C)C)cc2)cc1 ZINC000462905748 1117840543 /nfs/dbraw/zinc/84/05/43/1117840543.db2.gz ZEAMTFZUELYKSA-MRXNPFEDSA-N -1 3 374.506 4.417 20 0 FIADHM Cc1cc([C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc2Cl)ccc1F ZINC000462893182 1117842723 /nfs/dbraw/zinc/84/27/23/1117842723.db2.gz CFCSYOOVWGHQAI-QGZVFWFLSA-N -1 3 367.815 4.029 20 0 FIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccccc1C(C)C)c2=O ZINC000540187053 1117927687 /nfs/dbraw/zinc/92/76/87/1117927687.db2.gz FXQVQNJXTKNOKN-UHFFFAOYSA-N -1 3 354.381 4.052 20 0 FIADHM COc1cc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)cc(OC)c1[O-] ZINC000463062966 1117947975 /nfs/dbraw/zinc/94/79/75/1117947975.db2.gz ZRTOCNMEIKROPY-OXQOHEQNSA-N -1 3 369.461 4.099 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Cl ZINC000463528832 1118194504 /nfs/dbraw/zinc/19/45/04/1118194504.db2.gz YOZRBVPADWXYMZ-UHFFFAOYSA-N -1 3 367.801 4.280 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3/C=C/c3ccccc3)nc2)n1 ZINC000540940398 1118321662 /nfs/dbraw/zinc/32/16/62/1118321662.db2.gz JJQINVJPATURRQ-ZAHGZRRWSA-N -1 3 372.472 4.489 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000463947542 1118384590 /nfs/dbraw/zinc/38/45/90/1118384590.db2.gz GWKSAPFLNAPYCC-UHFFFAOYSA-N -1 3 352.891 4.439 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC[C@@H](C)CC)nc(=O)c2c1C ZINC000464795883 1118701033 /nfs/dbraw/zinc/70/10/33/1118701033.db2.gz SCYMZYLUIRDIOI-GXSJLCMTSA-N -1 3 368.524 4.310 20 0 FIADHM Cc1ncc(CNC(=O)N[C@@H](CC2CCCCC2)c2ccccc2)c(=O)[n-]1 ZINC000542374871 1118918391 /nfs/dbraw/zinc/91/83/91/1118918391.db2.gz ZKLLSELYCYYNJK-IBGZPJMESA-N -1 3 368.481 4.002 20 0 FIADHM O=C(/C=C/SCc1ccco1)Nc1ccc(Br)cc1[O-] ZINC000152105460 1119094649 /nfs/dbraw/zinc/09/46/49/1119094649.db2.gz CEENCWWVMNKCKI-FNORWQNLSA-N -1 3 354.225 4.133 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccccc1C(F)(F)F ZINC000176728322 1119291104 /nfs/dbraw/zinc/29/11/04/1119291104.db2.gz ZQRYGAYSZQJCNA-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM O=C(NCc1coc(-c2cccs2)n1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646761505 1119333793 /nfs/dbraw/zinc/33/37/93/1119333793.db2.gz XKEAUDUBOUNIIP-UHFFFAOYSA-N -1 3 368.336 4.058 20 0 FIADHM C[C@@H]1[C@@H](C)CCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000177914144 1119360766 /nfs/dbraw/zinc/36/07/66/1119360766.db2.gz RFTDHZGDOUYEMW-NWDGAFQWSA-N -1 3 357.454 4.021 20 0 FIADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1sccc1C ZINC001272546188 1119377660 /nfs/dbraw/zinc/37/76/60/1119377660.db2.gz CIVJGZBVVYXQTM-UHFFFAOYSA-N -1 3 356.403 4.141 20 0 FIADHM [O-]c1cc(F)cc(CNc2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000185584924 1119673855 /nfs/dbraw/zinc/67/38/55/1119673855.db2.gz GEROLMAEJVYXIA-UHFFFAOYSA-N -1 3 352.413 4.128 20 0 FIADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(F)cc(F)c2Br)on1 ZINC000189065618 1119829158 /nfs/dbraw/zinc/82/91/58/1119829158.db2.gz NIDUUGIEUBHMDX-SSDOTTSWSA-N -1 3 359.170 4.481 20 0 FIADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(Br)cs1 ZINC000194924683 1120319277 /nfs/dbraw/zinc/31/92/77/1120319277.db2.gz HVMNHDBIVGBLRB-UHFFFAOYSA-N -1 3 372.294 4.343 20 0 FIADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1nc(-c2cccs2)no1 ZINC000914625154 1120430564 /nfs/dbraw/zinc/43/05/64/1120430564.db2.gz URUIKTHWAPSOTJ-LURJTMIESA-N -1 3 358.206 4.351 20 0 FIADHM O=S(=O)([N-]c1cccc(C(F)F)c1Cl)c1cnc(Cl)c(F)c1 ZINC000761974606 1120612430 /nfs/dbraw/zinc/61/24/30/1120612430.db2.gz COHUMEQMSNTTSX-UHFFFAOYSA-N -1 3 371.167 4.266 20 0 FIADHM Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)c(C)c1 ZINC000914890823 1120628391 /nfs/dbraw/zinc/62/83/91/1120628391.db2.gz GWZZUXXRQDFLQW-CYBMUJFWSA-N -1 3 356.447 4.339 20 0 FIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000914891394 1120629966 /nfs/dbraw/zinc/62/99/66/1120629966.db2.gz JZCVJBJJZAKMIN-RISCZKNCSA-N -1 3 374.487 4.200 20 0 FIADHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)o1 ZINC000053482280 1120654142 /nfs/dbraw/zinc/65/41/42/1120654142.db2.gz PLYPNGRBLCSJPW-DYVFJYSZSA-N -1 3 362.429 4.049 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(SC(C)(C)C)nc3)no2)c1[O-] ZINC000762343794 1120884918 /nfs/dbraw/zinc/88/49/18/1120884918.db2.gz WCBRBQKKSZDDRY-UHFFFAOYSA-N -1 3 357.435 4.403 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)cc1OC ZINC000007109355 1120917129 /nfs/dbraw/zinc/91/71/29/1120917129.db2.gz MCFDODAFCUMWTH-CQSZACIVSA-N -1 3 363.479 4.408 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Br)c(Cl)c1 ZINC000236452093 1120965780 /nfs/dbraw/zinc/96/57/80/1120965780.db2.gz ITJBPHGOJSKCRG-CQDKDKBSSA-N -1 3 372.690 4.320 20 0 FIADHM CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1OC(F)F ZINC000053808071 1120977029 /nfs/dbraw/zinc/97/70/29/1120977029.db2.gz AIEJBOWRTYNMRI-OAHLLOKOSA-N -1 3 372.371 4.011 20 0 FIADHM CCCOc1ccc(C(F)(F)F)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000153654283 1121007513 /nfs/dbraw/zinc/00/75/13/1121007513.db2.gz HWSOCUYFDMKYBP-AWEZNQCLSA-N -1 3 362.348 4.074 20 0 FIADHM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000153654283 1121007516 /nfs/dbraw/zinc/00/75/16/1121007516.db2.gz HWSOCUYFDMKYBP-AWEZNQCLSA-N -1 3 362.348 4.074 20 0 FIADHM O=c1[n-]c(CN(Cc2ccc(F)cc2)C2CC2)nc2c3ccccc3oc21 ZINC000028726565 1121023818 /nfs/dbraw/zinc/02/38/18/1121023818.db2.gz CVIWVFNSVXETBA-UHFFFAOYSA-N -1 3 363.392 4.385 20 0 FIADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c([O-])c1 ZINC000030694247 1121067391 /nfs/dbraw/zinc/06/73/91/1121067391.db2.gz VDFVKSABKMHEDO-LBPRGKRZSA-N -1 3 368.458 4.324 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(Br)cn2)no1 ZINC000322411886 1121079546 /nfs/dbraw/zinc/07/95/46/1121079546.db2.gz WHBHNDVDPFIHEZ-UHFFFAOYSA-N -1 3 368.190 4.420 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1OC ZINC000032083563 1121100275 /nfs/dbraw/zinc/10/02/75/1121100275.db2.gz LEEOSNJSFFKSPA-UHFFFAOYSA-N -1 3 363.479 4.093 20 0 FIADHM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472324385 1121215999 /nfs/dbraw/zinc/21/59/99/1121215999.db2.gz HXMIOYRZZFIUPR-CYBMUJFWSA-N -1 3 351.377 4.076 20 0 FIADHM O=C(c1cc(F)cc(Nc2ccc([O-])c(F)c2F)c1)N1CCCCC1 ZINC001212213048 1121264256 /nfs/dbraw/zinc/26/42/56/1121264256.db2.gz HAUKXWYKVVDVMV-UHFFFAOYSA-N -1 3 350.340 4.179 20 0 FIADHM CCC(CC)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccs1 ZINC000057255315 1121361729 /nfs/dbraw/zinc/36/17/29/1121361729.db2.gz PHHQCNVABSRGJR-LJQANCHMSA-N -1 3 354.475 4.497 20 0 FIADHM COc1ccc(CO[N-]C(=O)Cc2cccc3ccccc32)cc1Cl ZINC000763353912 1121412184 /nfs/dbraw/zinc/41/21/84/1121412184.db2.gz FQNRYNWWEXXAJJ-UHFFFAOYSA-N -1 3 355.821 4.292 20 0 FIADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000061211359 1121510828 /nfs/dbraw/zinc/51/08/28/1121510828.db2.gz JVDOZBJCYKSPIL-LJQANCHMSA-N -1 3 352.821 4.063 20 0 FIADHM COc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000063803192 1121587989 /nfs/dbraw/zinc/58/79/89/1121587989.db2.gz DNYANQUXTXNRPG-UHFFFAOYSA-N -1 3 373.792 4.479 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1C ZINC000063849226 1121590993 /nfs/dbraw/zinc/59/09/93/1121590993.db2.gz AYHXGBLJAQJVLO-UHFFFAOYSA-N -1 3 363.479 4.038 20 0 FIADHM CC[C@H](Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1)c1ccccc1 ZINC000064369290 1121607206 /nfs/dbraw/zinc/60/72/06/1121607206.db2.gz HXMXHQXIJNTMKD-AWEZNQCLSA-N -1 3 369.446 4.069 20 0 FIADHM O=C([N-][C@H](c1ccccc1)c1cccnc1)C(F)(F)c1ccccc1F ZINC000765772214 1121617035 /nfs/dbraw/zinc/61/70/35/1121617035.db2.gz QMGIAVQUCJGCSY-GOSISDBHSA-N -1 3 356.347 4.218 20 0 FIADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1c[n-]c2ccccc2c1=O ZINC000064090004 1121739019 /nfs/dbraw/zinc/73/90/19/1121739019.db2.gz GWVIYNFZLWUKIT-UHFFFAOYSA-N -1 3 361.426 4.268 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000067730427 1121791809 /nfs/dbraw/zinc/79/18/09/1121791809.db2.gz VHVIWFGNLQRIBL-NRFANRHFSA-N -1 3 358.441 4.210 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2c(CC)cccc2CC)n1 ZINC000125656719 1121801948 /nfs/dbraw/zinc/80/19/48/1121801948.db2.gz YUNWMGMYXNXLIG-CYBMUJFWSA-N -1 3 373.522 4.130 20 0 FIADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC000069667144 1121876283 /nfs/dbraw/zinc/87/62/83/1121876283.db2.gz WPSZGJWORAOAON-UHFFFAOYSA-N -1 3 367.430 4.035 20 0 FIADHM COc1ccc(-c2cc3[n-]c(CN4C[C@H](C)[C@H](C)C4)nc(=O)c3s2)cc1 ZINC000072873288 1121908212 /nfs/dbraw/zinc/90/82/12/1121908212.db2.gz QLCZMXXTUNBTNO-BETUJISGSA-N -1 3 369.490 4.160 20 0 FIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C ZINC000624672062 1122093349 /nfs/dbraw/zinc/09/33/49/1122093349.db2.gz YSTSWVVTIYICJL-CQSZACIVSA-N -1 3 366.461 4.133 20 0 FIADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000128013764 1122179128 /nfs/dbraw/zinc/17/91/28/1122179128.db2.gz FGIMYJGYUDHLSY-NVXWUHKLSA-N -1 3 351.462 4.303 20 0 FIADHM CCOc1cc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)cc(Cl)c1[O-] ZINC000054682538 1122190308 /nfs/dbraw/zinc/19/03/08/1122190308.db2.gz YURAOPPQSPXQJU-MRXNPFEDSA-N -1 3 367.232 4.294 20 0 FIADHM CC(=O)c1csc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)c1 ZINC000106634328 1122231659 /nfs/dbraw/zinc/23/16/59/1122231659.db2.gz UUXAUENEFPEHHI-UHFFFAOYSA-N -1 3 357.460 4.338 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ncc(-c2ccccc2)o1 ZINC000765824865 1122255422 /nfs/dbraw/zinc/25/54/22/1122255422.db2.gz GPHWGVDHZTVJMM-LBPRGKRZSA-N -1 3 360.335 4.450 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(-c2ccccc2Cl)on1 ZINC000497574576 1122293117 /nfs/dbraw/zinc/29/31/17/1122293117.db2.gz JPVZFKFFDPMVSP-UHFFFAOYSA-N -1 3 364.792 4.059 20 0 FIADHM O=C(COc1ccccc1OCc1ccccc1)Nc1cccc([O-])c1F ZINC000128642629 1122364728 /nfs/dbraw/zinc/36/47/28/1122364728.db2.gz ACUQUHJWLHPTHL-UHFFFAOYSA-N -1 3 367.376 4.128 20 0 FIADHM Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128729355 1122389916 /nfs/dbraw/zinc/38/99/16/1122389916.db2.gz ZEICLAJJPOEYSN-UHFFFAOYSA-N -1 3 371.437 4.065 20 0 FIADHM O=C(Nc1ccc(C(=O)Nc2cccc([O-])c2F)cc1)c1cccs1 ZINC000128731671 1122390827 /nfs/dbraw/zinc/39/08/27/1122390827.db2.gz XPIKHFNQNUXLTC-UHFFFAOYSA-N -1 3 356.378 4.097 20 0 FIADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000917730101 1122419782 /nfs/dbraw/zinc/41/97/82/1122419782.db2.gz XFALMFANSFPPTR-UHFFFAOYSA-N -1 3 362.470 4.171 20 0 FIADHM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1F ZINC000917747309 1122426006 /nfs/dbraw/zinc/42/60/06/1122426006.db2.gz UCJNRDHXHJWZDZ-UHFFFAOYSA-N -1 3 356.850 4.125 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)c1 ZINC000917747317 1122426145 /nfs/dbraw/zinc/42/61/45/1122426145.db2.gz ULLQQADQPKMEEN-UHFFFAOYSA-N -1 3 350.459 4.088 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ccsc3)nc(=O)c2c1C ZINC000917952048 1122494610 /nfs/dbraw/zinc/49/46/10/1122494610.db2.gz VIAXMAWKPUCKFJ-LWTINBJPSA-N -1 3 360.460 4.393 20 0 FIADHM CCCOc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1OCCC ZINC000129619806 1122650585 /nfs/dbraw/zinc/65/05/85/1122650585.db2.gz BOJNOHMEXZREPK-UHFFFAOYSA-N -1 3 361.413 4.290 20 0 FIADHM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000498283127 1122680922 /nfs/dbraw/zinc/68/09/22/1122680922.db2.gz PEGHGVGFQKQUAS-MGPLVRAMSA-N -1 3 354.233 4.205 20 0 FIADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1noc2c1CCCCC2 ZINC000129998941 1122721887 /nfs/dbraw/zinc/72/18/87/1122721887.db2.gz CMETZHOUCBNPPS-UHFFFAOYSA-N -1 3 368.462 4.103 20 0 FIADHM CCN(C(=O)COC(=O)c1cc2ccsc2[n-]1)[C@@H](C)c1ccc(F)cc1 ZINC000918939243 1122841084 /nfs/dbraw/zinc/84/10/84/1122841084.db2.gz BFMKOEJCWAVMIZ-LBPRGKRZSA-N -1 3 374.437 4.135 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3ncc(-c4ccc(F)cc4)o3)n[n-]2)o1 ZINC000919327152 1122952098 /nfs/dbraw/zinc/95/20/98/1122952098.db2.gz YVPFRYLBJMJXRD-UHFFFAOYSA-N -1 3 367.336 4.129 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3ncc(-c4ccc(F)cc4)o3)[n-]n2)o1 ZINC000919327152 1122952102 /nfs/dbraw/zinc/95/21/02/1122952102.db2.gz YVPFRYLBJMJXRD-UHFFFAOYSA-N -1 3 367.336 4.129 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3cc(-c4ccc(F)cc4)no3)n[n-]2)o1 ZINC000919329247 1122953398 /nfs/dbraw/zinc/95/33/98/1122953398.db2.gz MGRKVFMRZMQWMT-UHFFFAOYSA-N -1 3 367.336 4.129 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3cc(-c4ccc(F)cc4)no3)[n-]n2)o1 ZINC000919329247 1122953399 /nfs/dbraw/zinc/95/33/99/1122953399.db2.gz MGRKVFMRZMQWMT-UHFFFAOYSA-N -1 3 367.336 4.129 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c2ccccc12 ZINC000072027119 1122968477 /nfs/dbraw/zinc/96/84/77/1122968477.db2.gz XWWRQDHWPROWRO-UHFFFAOYSA-N -1 3 363.385 4.318 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c(C)s1 ZINC000131484860 1123089721 /nfs/dbraw/zinc/08/97/21/1123089721.db2.gz RBSHFBQITZUFKD-UHFFFAOYSA-N -1 3 364.536 4.070 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cccc(OCc3cccs3)c2)c1[O-] ZINC000556892952 1123169220 /nfs/dbraw/zinc/16/92/20/1123169220.db2.gz ZDKBIAJZFSRRJJ-UHFFFAOYSA-N -1 3 367.426 4.488 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(Cl)c3F)c2)n1 ZINC000132167039 1123225285 /nfs/dbraw/zinc/22/52/85/1123225285.db2.gz SFYCLTRMHOLGKD-UHFFFAOYSA-N -1 3 371.799 4.044 20 0 FIADHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1 ZINC000919959467 1123285676 /nfs/dbraw/zinc/28/56/76/1123285676.db2.gz UPJXLCJTXIWIMB-UHFFFAOYSA-N -1 3 371.458 4.182 20 0 FIADHM CC(=O)Nc1ccc(F)c([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000499286677 1123408717 /nfs/dbraw/zinc/40/87/17/1123408717.db2.gz BSZLUYFGQJODBC-UHFFFAOYSA-N -1 3 373.771 4.345 20 0 FIADHM Cc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC000134159958 1123599134 /nfs/dbraw/zinc/59/91/34/1123599134.db2.gz HVENFQBFJBLKPD-UHFFFAOYSA-N -1 3 361.323 4.157 20 0 FIADHM C[C@@H]1[C@H](c2ccccc2)CCN1Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000175269131 1123797658 /nfs/dbraw/zinc/79/76/58/1123797658.db2.gz NWNJSJRCSUMNPY-RHSMWYFYSA-N -1 3 370.547 4.428 20 0 FIADHM O=C([N-]c1cc(Cl)ccc1F)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000137065131 1123960212 /nfs/dbraw/zinc/96/02/12/1123960212.db2.gz OOJGKXBSYRCYDK-UHFFFAOYSA-N -1 3 358.756 4.321 20 0 FIADHM Cc1ccc(CC(=O)[N-]OCc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000180075167 1124214267 /nfs/dbraw/zinc/21/42/67/1124214267.db2.gz YMAYRFSEKBYFDQ-UHFFFAOYSA-N -1 3 370.449 4.133 20 0 FIADHM COc1ccc(Cl)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000084671767 1124595171 /nfs/dbraw/zinc/59/51/71/1124595171.db2.gz ADTLMEMNJUQMKQ-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM O=C(CCc1nc2ccccc2n1-c1ccccc1)[N-]OCc1ccccc1 ZINC000069272128 1124709899 /nfs/dbraw/zinc/70/98/99/1124709899.db2.gz DTHWNMSIMBSKDN-UHFFFAOYSA-N -1 3 371.440 4.206 20 0 FIADHM Cc1cccc2c(CC(=O)Nc3cc(Br)ccc3[O-])c[nH]c21 ZINC000085590696 1124732669 /nfs/dbraw/zinc/73/26/69/1124732669.db2.gz HNRLBURRJIXJLD-UHFFFAOYSA-N -1 3 359.223 4.126 20 0 FIADHM CCC(CC)c1nnc([N-]C(=O)c2cnc(-c3ccncc3)s2)s1 ZINC000172708954 1124834276 /nfs/dbraw/zinc/83/42/76/1124834276.db2.gz XUNDFSHTYPNUMG-UHFFFAOYSA-N -1 3 359.480 4.213 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1OCC ZINC000007050913 1124858471 /nfs/dbraw/zinc/85/84/71/1124858471.db2.gz QRMNYOXZHSGIMJ-UHFFFAOYSA-N -1 3 363.479 4.408 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2occc2-c2ccccc2)c([O-])c1 ZINC000089543790 1124914464 /nfs/dbraw/zinc/91/44/64/1124914464.db2.gz YNMKZLRBSDERHE-UHFFFAOYSA-N -1 3 351.358 4.081 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCCc4sccc43)c[n-]c12 ZINC000672262551 1124935103 /nfs/dbraw/zinc/93/51/03/1124935103.db2.gz FFMKRNXJHXKDLV-UHFFFAOYSA-N -1 3 356.422 4.020 20 0 FIADHM Cc1ccc(-c2nnc([N-]C(=O)c3scnc3C3CC3)s2)c(C)c1 ZINC000089781768 1124940864 /nfs/dbraw/zinc/94/08/64/1124940864.db2.gz YWQDMKMNQNIKRQ-UHFFFAOYSA-N -1 3 356.476 4.408 20 0 FIADHM O=C([N-]c1ccncc1F)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000181826449 1125150433 /nfs/dbraw/zinc/15/04/33/1125150433.db2.gz PJZIHXLZMYWKQM-UHFFFAOYSA-N -1 3 354.983 4.482 20 0 FIADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1c[n-]c2ccccc2c1=O ZINC000108829560 209293032 /nfs/dbraw/zinc/29/30/32/209293032.db2.gz MUUCSRCPRYDDRA-UHFFFAOYSA-N -1 3 365.389 4.043 20 0 FIADHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cnc2ccccc2c1[O-] ZINC000108829560 209293034 /nfs/dbraw/zinc/29/30/34/209293034.db2.gz MUUCSRCPRYDDRA-UHFFFAOYSA-N -1 3 365.389 4.043 20 0 FIADHM O=S(=O)([N-]C(c1ccccc1)c1ccccc1)c1cc(F)cc(F)c1 ZINC000010492568 207302160 /nfs/dbraw/zinc/30/21/60/207302160.db2.gz IOWZIJNGESKBQG-UHFFFAOYSA-N -1 3 359.397 4.033 20 0 FIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000032531856 208029867 /nfs/dbraw/zinc/02/98/67/208029867.db2.gz DRSDZNIFFUVRHO-UHFFFAOYSA-N -1 3 360.479 4.034 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1c(Cl)cccc1Cl ZINC000072026595 208794892 /nfs/dbraw/zinc/79/48/92/208794892.db2.gz HZAWOXUQCGOVGP-CQSZACIVSA-N -1 3 360.237 4.098 20 0 FIADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])C(=O)c1ccccc1 ZINC000602092703 567932599 /nfs/dbraw/zinc/93/25/99/567932599.db2.gz GEDSZVCDIJMEQJ-LLVKDONJSA-N -1 3 362.223 4.002 20 0 FIADHM Cc1cccc(C(=O)Cc2nc(=O)c3c([n-]2)sc2c3CCCS2)c1C ZINC000069578839 568096560 /nfs/dbraw/zinc/09/65/60/568096560.db2.gz UEKBSCCUYLDSTH-UHFFFAOYSA-N -1 3 370.499 4.065 20 0 FIADHM CCCCN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1CC1 ZINC000026450556 568181167 /nfs/dbraw/zinc/18/11/67/568181167.db2.gz IHOXCYFUZQEDFQ-UHFFFAOYSA-N -1 3 353.491 4.416 20 0 FIADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]2CCCC[C@H]12 ZINC000604052926 568206866 /nfs/dbraw/zinc/20/68/66/568206866.db2.gz YIVPCVVDUPOOPJ-FMKPAKJESA-N -1 3 351.450 4.482 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000303438499 568278121 /nfs/dbraw/zinc/27/81/21/568278121.db2.gz BKWGVRGILVYREZ-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c(C)s1 ZINC000303449464 568279272 /nfs/dbraw/zinc/27/92/72/568279272.db2.gz DQJFBWHCKHGTRT-UHFFFAOYSA-N -1 3 364.261 4.067 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC(CC)CC)nc(=O)c2c1C ZINC000604566589 568317362 /nfs/dbraw/zinc/31/73/62/568317362.db2.gz VDRJBFQLMFOJHB-JTQLQIEISA-N -1 3 368.524 4.453 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cc1 ZINC000604737697 568359041 /nfs/dbraw/zinc/35/90/41/568359041.db2.gz HVYGDEWHIUAARM-UHFFFAOYSA-N -1 3 361.463 4.208 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1[O-] ZINC000604901755 568385029 /nfs/dbraw/zinc/38/50/29/568385029.db2.gz GVYWXCHMQZKPFU-INIZCTEOSA-N -1 3 361.825 4.164 20 0 FIADHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cc2cc(F)ccc2o1 ZINC000605078412 568555730 /nfs/dbraw/zinc/55/57/30/568555730.db2.gz GJVMMQJXRRZTKF-UHFFFAOYSA-N -1 3 353.378 4.267 20 0 FIADHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000919729198 1123104242 /nfs/dbraw/zinc/10/42/42/1123104242.db2.gz DKMFLNYLAJBUQR-ZETCQYMHSA-N -1 3 356.321 4.464 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2sc3cc(C)ccc3c2Cl)[n-]1 ZINC000619446256 1125592076 /nfs/dbraw/zinc/59/20/76/1125592076.db2.gz BVABOEQXAUHSLE-UHFFFAOYSA-N -1 3 363.826 4.015 20 0 FIADHM CCOC(=O)c1nc(NC(=O)c2sc3cc(C)ccc3c2Cl)c[n-]1 ZINC000619446256 1125592080 /nfs/dbraw/zinc/59/20/80/1125592080.db2.gz BVABOEQXAUHSLE-UHFFFAOYSA-N -1 3 363.826 4.015 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2sc3cccc(C)c3c2Cl)[n-]1 ZINC000619448517 1125597220 /nfs/dbraw/zinc/59/72/20/1125597220.db2.gz USMJHQVBMDLXLO-UHFFFAOYSA-N -1 3 363.826 4.015 20 0 FIADHM CCOC(=O)c1nc(NC(=O)c2sc3cccc(C)c3c2Cl)c[n-]1 ZINC000619448517 1125597224 /nfs/dbraw/zinc/59/72/24/1125597224.db2.gz USMJHQVBMDLXLO-UHFFFAOYSA-N -1 3 363.826 4.015 20 0 FIADHM CCc1ccc([C@H](CC)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182730237 1125608183 /nfs/dbraw/zinc/60/81/83/1125608183.db2.gz VXAWVNGZDLFALF-KRWDZBQOSA-N -1 3 362.495 4.192 20 0 FIADHM COc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)cc1F ZINC000163130421 1125727951 /nfs/dbraw/zinc/72/79/51/1125727951.db2.gz NUXXTOADCYOPRV-UHFFFAOYSA-N -1 3 353.382 4.040 20 0 FIADHM CCC(C)(C)C1CCC2(C[C@H]2C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC001625775399 1079525585 /nfs/dbraw/zinc/52/55/85/1079525585.db2.gz KDYUEWVFMKTFKT-JKGQDXBKSA-N -1 3 372.435 4.072 20 0 FIADHM CCCN(C[C@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000579720356 1079575687 /nfs/dbraw/zinc/57/56/87/1079575687.db2.gz OAJNBNOZQPPBJW-CZUORRHYSA-N -1 3 360.281 4.400 20 0 FIADHM CC[C@@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1OC ZINC000683170253 1079794845 /nfs/dbraw/zinc/79/48/45/1079794845.db2.gz GDYSKGVKQDVEQD-FOIQADDNSA-N -1 3 357.450 4.096 20 0 FIADHM CSc1cc(Br)ccc1CNCc1cccc(C(=O)[O-])c1 ZINC000683170626 1079796503 /nfs/dbraw/zinc/79/65/03/1079796503.db2.gz PGUVRUMYZADOFH-UHFFFAOYSA-N -1 3 366.280 4.159 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccccc3)s2)cc1 ZINC000683172031 1079801181 /nfs/dbraw/zinc/80/11/81/1079801181.db2.gz ULRXINHDOPZWHD-SFHVURJKSA-N -1 3 368.458 4.124 20 0 FIADHM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000683174359 1079811919 /nfs/dbraw/zinc/81/19/19/1079811919.db2.gz NJGWITGJPKOQAY-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM CCOc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1OCC(C)C ZINC000683176651 1079821004 /nfs/dbraw/zinc/82/10/04/1079821004.db2.gz MWEQNTNNEAUQBV-UHFFFAOYSA-N -1 3 357.450 4.108 20 0 FIADHM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646890763 1079999086 /nfs/dbraw/zinc/99/90/86/1079999086.db2.gz GOUZSFSEMGKHCT-INIZCTEOSA-N -1 3 352.356 4.117 20 0 FIADHM CC(C)Cc1nc(C(=O)[N-]c2nc(-c3ccsc3)ns2)cs1 ZINC000109109496 1080046437 /nfs/dbraw/zinc/04/64/37/1080046437.db2.gz MNIBEAYESMRKSN-UHFFFAOYSA-N -1 3 350.494 4.174 20 0 FIADHM O=c1cc(CN2CCC[C@H]2c2cccc(Br)c2)nc(C2CC2)[n-]1 ZINC001167077111 1080051459 /nfs/dbraw/zinc/05/14/59/1080051459.db2.gz JNHUKVDBZYQGOG-INIZCTEOSA-N -1 3 374.282 4.159 20 0 FIADHM Cc1oc(CN(C)CCCc2cc(-c3ccccc3)no2)cc1C(=O)[O-] ZINC000579842997 1080062752 /nfs/dbraw/zinc/06/27/52/1080062752.db2.gz UKTXURNPSKRWAG-UHFFFAOYSA-N -1 3 354.406 4.006 20 0 FIADHM COCc1c(C(=O)[N-]c2nnc(C(C)C)s2)sc2cccc(F)c21 ZINC000026572302 1080110381 /nfs/dbraw/zinc/11/03/81/1080110381.db2.gz SUKUJOMMNBJLKL-UHFFFAOYSA-N -1 3 365.455 4.414 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000160264193 1080237826 /nfs/dbraw/zinc/23/78/26/1080237826.db2.gz IPOHNFSSTRMYAF-KRWDZBQOSA-N -1 3 371.368 4.214 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000160264193 1080237834 /nfs/dbraw/zinc/23/78/34/1080237834.db2.gz IPOHNFSSTRMYAF-KRWDZBQOSA-N -1 3 371.368 4.214 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3cc(Cl)cs3)cc2)n1 ZINC000134628649 1080321336 /nfs/dbraw/zinc/32/13/36/1080321336.db2.gz PWNRPSQSBJHZJG-UHFFFAOYSA-N -1 3 373.865 4.032 20 0 FIADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCSC2(CCCCC2)C1 ZINC000646899397 1080442179 /nfs/dbraw/zinc/44/21/79/1080442179.db2.gz ABUBYEKXQIZFMP-UHFFFAOYSA-N -1 3 359.413 4.303 20 0 FIADHM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3ncccc3[O-])c2)C1 ZINC000471240639 1080517261 /nfs/dbraw/zinc/51/72/61/1080517261.db2.gz AFPSSYRIVAAQAI-MAUKXSAKSA-N -1 3 369.465 4.204 20 0 FIADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000471246707 1080576032 /nfs/dbraw/zinc/57/60/32/1080576032.db2.gz WDUMWGQXWVRMFG-AWEZNQCLSA-N -1 3 372.440 4.021 20 0 FIADHM CC(C)(C)c1nsc([N-]C(=O)c2cc(C(F)(F)F)cnc2Cl)n1 ZINC000275235159 1080627012 /nfs/dbraw/zinc/62/70/12/1080627012.db2.gz FIERCKIMVBFDFS-UHFFFAOYSA-N -1 3 364.780 4.155 20 0 FIADHM Cn1ccnc1Sc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000683373198 1080775143 /nfs/dbraw/zinc/77/51/43/1080775143.db2.gz QOTXZSHBZMBZSE-UHFFFAOYSA-N -1 3 359.838 4.183 20 0 FIADHM Cc1ccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)nc1 ZINC000430407558 1080922097 /nfs/dbraw/zinc/92/20/97/1080922097.db2.gz OUNFPSOIQJLPOS-UHFFFAOYSA-N -1 3 371.396 4.276 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(Br)cs2)c1 ZINC000109814293 1080933014 /nfs/dbraw/zinc/93/30/14/1080933014.db2.gz OBBPSNHSNMTJMM-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM O=c1[n-]nc(SCc2ccc(-c3cccs3)cc2)n1C[C@H]1CCCO1 ZINC000683435549 1080963868 /nfs/dbraw/zinc/96/38/68/1080963868.db2.gz JVVVEWMQEBBQMG-OAHLLOKOSA-N -1 3 373.503 4.184 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)sc1C ZINC000683535946 1081054321 /nfs/dbraw/zinc/05/43/21/1081054321.db2.gz URYHFGXUHJARLR-UHFFFAOYSA-N -1 3 362.505 4.156 20 0 FIADHM Cn1nc(Br)c2cccc(Nc3cccc(Cl)c3[O-])c21 ZINC001210223501 1081200423 /nfs/dbraw/zinc/20/04/23/1081200423.db2.gz XTGMJQQPZRMXJP-UHFFFAOYSA-N -1 3 352.619 4.438 20 0 FIADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000020496032 1081201623 /nfs/dbraw/zinc/20/16/23/1081201623.db2.gz UXEAVCAGGLZZKQ-UHFFFAOYSA-N -1 3 369.428 4.027 20 0 FIADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000020496032 1081201625 /nfs/dbraw/zinc/20/16/25/1081201625.db2.gz UXEAVCAGGLZZKQ-UHFFFAOYSA-N -1 3 369.428 4.027 20 0 FIADHM Cc1ccccc1COc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000160311340 1081304884 /nfs/dbraw/zinc/30/48/84/1081304884.db2.gz DIKFKLZMYWSBAW-LJQANCHMSA-N -1 3 356.422 4.154 20 0 FIADHM Cc1ccccc1COc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000160311340 1081304889 /nfs/dbraw/zinc/30/48/89/1081304889.db2.gz DIKFKLZMYWSBAW-LJQANCHMSA-N -1 3 356.422 4.154 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)c([O-])c1 ZINC001648901667 1081359410 /nfs/dbraw/zinc/35/94/10/1081359410.db2.gz SDNFCAFHHWRPTO-QGZVFWFLSA-N -1 3 369.509 4.487 20 0 FIADHM O=c1cc(CN(Cc2ccccc2)C2CC2)c2cc(Cl)c([O-])cc2o1 ZINC000891140663 1081498761 /nfs/dbraw/zinc/49/87/61/1081498761.db2.gz YBANZJWJLCCHEK-UHFFFAOYSA-N -1 3 355.821 4.317 20 0 FIADHM C[C@H](NCc1csc(-c2cccs2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099596 1081550219 /nfs/dbraw/zinc/55/02/19/1081550219.db2.gz YJKIXKGSCGDGCH-WCFLWFBJSA-N -1 3 350.509 4.097 20 0 FIADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc(F)c(F)cc1Cl ZINC000255341315 1081822643 /nfs/dbraw/zinc/82/26/43/1081822643.db2.gz YAGQNMFHFPAXAN-ARJAWSKDSA-N -1 3 367.764 4.485 20 0 FIADHM COc1cc(CN(C)C(=O)c2cc([O-])ccc2Cl)ccc1SC ZINC000558509360 1081897413 /nfs/dbraw/zinc/89/74/13/1081897413.db2.gz FRARUKBHHQWBEM-UHFFFAOYSA-N -1 3 351.855 4.048 20 0 FIADHM Cc1c([O-])ccc2c(CSc3nnc(-c4cccs4)o3)cc(=O)oc12 ZINC000022279240 1081945830 /nfs/dbraw/zinc/94/58/30/1081945830.db2.gz HSYZWQCFMDBNLS-UHFFFAOYSA-N -1 3 372.427 4.211 20 0 FIADHM NC(=O)c1ccc(Nc2cc(F)cc(F)c2OCc2ccccc2)cc1[O-] ZINC001211514474 1082566611 /nfs/dbraw/zinc/56/66/11/1082566611.db2.gz LMTBRUIAMVVXCM-UHFFFAOYSA-N -1 3 370.355 4.092 20 0 FIADHM COCc1csc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000656566131 1082581719 /nfs/dbraw/zinc/58/17/19/1082581719.db2.gz DZQKQYLTLSBBNT-OAHLLOKOSA-N -1 3 373.396 4.219 20 0 FIADHM CCc1cccc2cc(CN[C@@H](CC(=O)[O-])c3ccc(OC)cc3)oc21 ZINC000656565775 1082582824 /nfs/dbraw/zinc/58/28/24/1082582824.db2.gz TZXQJLBZRSTMEG-IBGZPJMESA-N -1 3 353.418 4.309 20 0 FIADHM CO[C@H](CS(=O)(=O)[N-]c1cc(SC)ccc1Cl)C1CCCC1 ZINC000656633539 1082648355 /nfs/dbraw/zinc/64/83/55/1082648355.db2.gz IZFASSNMOSJPKG-OAHLLOKOSA-N -1 3 363.932 4.009 20 0 FIADHM Cc1cc2c(s1)N(c1ccccc1-c1nnn[n-]1)c1ccccc1NC2=N ZINC001167469727 1082658542 /nfs/dbraw/zinc/65/85/42/1082658542.db2.gz WAAFFXMOBOHBFA-UHFFFAOYSA-N -1 3 373.445 4.057 20 0 FIADHM Cc1cc2c(s1)N(c1ccccc1-c1nn[n-]n1)c1ccccc1NC2=N ZINC001167469727 1082658547 /nfs/dbraw/zinc/65/85/47/1082658547.db2.gz WAAFFXMOBOHBFA-UHFFFAOYSA-N -1 3 373.445 4.057 20 0 FIADHM Cc1c([O-])ccc2c(CN3CCc4cccc(F)c4[C@H]3C)cc(=O)oc12 ZINC001167473032 1082694560 /nfs/dbraw/zinc/69/45/60/1082694560.db2.gz FDLLODLAEPVBFF-CYBMUJFWSA-N -1 3 353.393 4.065 20 0 FIADHM CC(C)[C@@H](NC(=O)NCc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000471823000 1083063757 /nfs/dbraw/zinc/06/37/57/1083063757.db2.gz CECISLTWQPAODI-MRXNPFEDSA-N -1 3 367.371 4.003 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)CC3CCCCC3)cc2)n1 ZINC000510501382 1083092898 /nfs/dbraw/zinc/09/28/98/1083092898.db2.gz NOOZTVJAJILYOK-CQSZACIVSA-N -1 3 353.466 4.290 20 0 FIADHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1cc2cc(Cl)ccc2s1 ZINC000510506477 1083123123 /nfs/dbraw/zinc/12/31/23/1083123123.db2.gz QSORHYBTBFAPQA-UHFFFAOYSA-N -1 3 369.817 4.176 20 0 FIADHM CCc1cccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c1[O-] ZINC000548378492 1083128257 /nfs/dbraw/zinc/12/82/57/1083128257.db2.gz UBFXTQOYQMREFH-FZKQIMNGSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1cccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c1[O-] ZINC000548378491 1083128480 /nfs/dbraw/zinc/12/84/80/1083128480.db2.gz UBFXTQOYQMREFH-ACJLOTCBSA-N -1 3 359.853 4.210 20 0 FIADHM Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2[O-])c(C)n1CC(C)C ZINC000065043020 1083247565 /nfs/dbraw/zinc/24/75/65/1083247565.db2.gz GPXGCQYHBNRBBV-ZDLGFXPLSA-N -1 3 351.450 4.321 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c1 ZINC000612132481 1083424234 /nfs/dbraw/zinc/42/42/34/1083424234.db2.gz PRCSKHHWXZEOOF-WBVHZDCISA-N -1 3 361.507 4.258 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c1 ZINC000612132475 1083424628 /nfs/dbraw/zinc/42/46/28/1083424628.db2.gz PRCSKHHWXZEOOF-DOTOQJQBSA-N -1 3 361.507 4.258 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c([O-])c1 ZINC000023499769 1083466963 /nfs/dbraw/zinc/46/69/63/1083466963.db2.gz HSUAFCZLGMZZID-UHFFFAOYSA-N -1 3 352.459 4.330 20 0 FIADHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C)c2cc(Cl)ccc2F)cc1 ZINC001267464788 1083476617 /nfs/dbraw/zinc/47/66/17/1083476617.db2.gz SWOZHTAXSPCSKH-SNVBAGLBSA-N -1 3 357.759 4.457 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=CC3CCCCC3)c2)n1 ZINC000255759046 1083485969 /nfs/dbraw/zinc/48/59/69/1083485969.db2.gz IIPVDBLBHUTUCI-QXMHVHEDSA-N -1 3 351.450 4.487 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](c3ccccc3)c3cccnc3)n[n-]2)o1 ZINC000728414370 1083779949 /nfs/dbraw/zinc/77/99/49/1083779949.db2.gz PXWMKOLBDISPNN-FQEVSTJZSA-N -1 3 359.385 4.320 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](c3ccccc3)c3cccnc3)[n-]n2)o1 ZINC000728414370 1083779960 /nfs/dbraw/zinc/77/99/60/1083779960.db2.gz PXWMKOLBDISPNN-FQEVSTJZSA-N -1 3 359.385 4.320 20 0 FIADHM CCn1c(COC(=O)c2cc(Cl)c(Cl)[n-]2)nc2c1cccc2F ZINC000728621937 1083956875 /nfs/dbraw/zinc/95/68/75/1083956875.db2.gz PMEJDAQJTMODSW-UHFFFAOYSA-N -1 3 356.184 4.187 20 0 FIADHM CC(C)O[C@@]1(CSc2nnc([N-]c3ccccc3F)s2)CCOC1 ZINC000657227535 1083993399 /nfs/dbraw/zinc/99/33/99/1083993399.db2.gz FFJIQJREESRWTH-INIZCTEOSA-N -1 3 369.487 4.097 20 0 FIADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)s1 ZINC000511368272 1084001906 /nfs/dbraw/zinc/00/19/06/1084001906.db2.gz XHOYEHMZKMMZMG-UHFFFAOYSA-N -1 3 355.447 4.057 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCC[C@H](C)CC(=O)[O-] ZINC000277226965 1084040219 /nfs/dbraw/zinc/04/02/19/1084040219.db2.gz IGFLSGPUAJYFKL-NSHDSACASA-N -1 3 370.280 4.078 20 0 FIADHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000235821606 1084048378 /nfs/dbraw/zinc/04/83/78/1084048378.db2.gz AVHZSKDGYCGRLH-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cc([O-])ccc1Cl ZINC000431794980 1084566745 /nfs/dbraw/zinc/56/67/45/1084566745.db2.gz CSUZWVMTZZOGGY-IBGZPJMESA-N -1 3 359.853 4.260 20 0 FIADHM CC(C)C[C@H](C)Oc1cc(CNCc2c(F)ccc([O-])c2F)ccn1 ZINC000511072957 1084599458 /nfs/dbraw/zinc/59/94/58/1084599458.db2.gz HOIBTRQOSAGNLV-ZDUSSCGKSA-N -1 3 350.409 4.169 20 0 FIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)C2CCCCC2)s1 ZINC000462300162 1084599922 /nfs/dbraw/zinc/59/99/22/1084599922.db2.gz ICYMKVLCLNVOBP-SNVBAGLBSA-N -1 3 366.346 4.066 20 0 FIADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCCC[C@H](C)C(=O)[O-] ZINC000277507403 1084740684 /nfs/dbraw/zinc/74/06/84/1084740684.db2.gz XZSLEEMFXVNIAC-AWEZNQCLSA-N -1 3 363.889 4.041 20 0 FIADHM Cc1sc(C(=O)[O-])cc1CN1CCC(OC2CCC(C)CC2)CC1 ZINC000582306598 1084852138 /nfs/dbraw/zinc/85/21/38/1084852138.db2.gz VQYXGVUURVPRGC-UHFFFAOYSA-N -1 3 351.512 4.314 20 0 FIADHM CC[C@H]1CN(C)CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000684825390 1084887098 /nfs/dbraw/zinc/88/70/98/1084887098.db2.gz OLNRKVWNIRFLQX-KRWDZBQOSA-N -1 3 372.896 4.269 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000582381984 1084922217 /nfs/dbraw/zinc/92/22/17/1084922217.db2.gz NUHDPFJJHDWTOR-UHFFFAOYSA-N -1 3 370.430 4.073 20 0 FIADHM O=C([N-][C@H](c1ccccc1)[C@@H]1CCCO1)C(F)(F)c1cc(F)cc(F)c1 ZINC001125596586 1084971076 /nfs/dbraw/zinc/97/10/76/1084971076.db2.gz HQRLCQBFEOWHDK-DLBZAZTESA-N -1 3 367.342 4.093 20 0 FIADHM O=C([O-])[C@@]1(NCc2ccc(Cl)c(Cl)c2)CCc2c1cccc2F ZINC000559981968 1084974738 /nfs/dbraw/zinc/97/47/38/1084974738.db2.gz WUOLDCLFJXMSFW-QGZVFWFLSA-N -1 3 354.208 4.148 20 0 FIADHM O=S(=O)(Cc1ccc(OCc2ccc(F)cc2)cc1)c1cccc([O-])c1 ZINC000195059540 1085134582 /nfs/dbraw/zinc/13/45/82/1085134582.db2.gz VUFJIXIMLGSUQT-UHFFFAOYSA-N -1 3 372.417 4.084 20 0 FIADHM [O-]c1ccccc1-c1nnc(CN2CCCC[C@@H]2c2ccc(F)cc2F)o1 ZINC001167771772 1085184288 /nfs/dbraw/zinc/18/42/88/1085184288.db2.gz AKGRJIBJEIHIOY-QGZVFWFLSA-N -1 3 371.387 4.448 20 0 FIADHM O=C(Cc1c(F)cccc1Cl)Nc1ccc(Br)cc1[O-] ZINC000642323978 1085204324 /nfs/dbraw/zinc/20/43/24/1085204324.db2.gz JSUXASLJELNLCI-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc2c(c1)OCCO2 ZINC000548746274 1085286769 /nfs/dbraw/zinc/28/67/69/1085286769.db2.gz PVDUDMCNTVSAKV-SFHVURJKSA-N -1 3 363.413 4.198 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c1Cl ZINC000511879006 1085288717 /nfs/dbraw/zinc/28/87/17/1085288717.db2.gz MAJSONWZBCIWPW-CQSZACIVSA-N -1 3 374.264 4.407 20 0 FIADHM O=c1nc(CN2CCC[C@@H]2C2CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000662729679 1085446358 /nfs/dbraw/zinc/44/63/58/1085446358.db2.gz ODPHQZGGSDSTPO-MRXNPFEDSA-N -1 3 369.465 4.165 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c([O-])c1 ZINC000075161279 1085514298 /nfs/dbraw/zinc/51/42/98/1085514298.db2.gz XXPMLEXCPHPTFB-SFHVURJKSA-N -1 3 353.462 4.195 20 0 FIADHM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011809731 1085536440 /nfs/dbraw/zinc/53/64/40/1085536440.db2.gz AERNJXIOVVCUED-MRVPVSSYSA-N -1 3 373.261 4.227 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccccc4)[C@H](C)C3)nc2)n1 ZINC000078410702 1085749277 /nfs/dbraw/zinc/74/92/77/1085749277.db2.gz IZXQRPPUCJDDTD-UZLBHIALSA-N -1 3 374.488 4.024 20 0 FIADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000326954629 1085796080 /nfs/dbraw/zinc/79/60/80/1085796080.db2.gz ZJLRWFJDWFHXPG-CQSZACIVSA-N -1 3 362.857 4.318 20 0 FIADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1c[n-]c2ccccc2c1=O ZINC001125639248 1085973259 /nfs/dbraw/zinc/97/32/59/1085973259.db2.gz XYTHDONFRLHIAE-UHFFFAOYSA-N -1 3 366.848 4.381 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cc(Cl)ccc1Cl ZINC000511953859 1086051435 /nfs/dbraw/zinc/05/14/35/1086051435.db2.gz HVVACAKOCACHJK-CQSZACIVSA-N -1 3 360.237 4.098 20 0 FIADHM Cc1c2ccccc2nc(CN2CC[C@@H](C(F)(F)F)C2(C)C)c1C(=O)[O-] ZINC000652444540 1086065417 /nfs/dbraw/zinc/06/54/17/1086065417.db2.gz BDNHXUBNMXYSLJ-OAHLLOKOSA-N -1 3 366.383 4.404 20 0 FIADHM O=C([O-])[C@@H]1CN(CCOc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC000652470229 1086090895 /nfs/dbraw/zinc/09/08/95/1086090895.db2.gz RAJBVPCSSRZZEL-QGZVFWFLSA-N -1 3 366.244 4.056 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(SC2CCCC2)cc1 ZINC000278057528 1086123659 /nfs/dbraw/zinc/12/36/59/1086123659.db2.gz IRHXNJHVNBFQMB-ZDUSSCGKSA-N -1 3 358.385 4.099 20 0 FIADHM CC[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000652504937 1086130412 /nfs/dbraw/zinc/13/04/12/1086130412.db2.gz UJKASBVLXJFAIS-WBVHZDCISA-N -1 3 360.281 4.258 20 0 FIADHM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1)C1CC1 ZINC000243192491 1086154444 /nfs/dbraw/zinc/15/44/44/1086154444.db2.gz KAMVDJQSVCEBMH-UHFFFAOYSA-N -1 3 372.490 4.126 20 0 FIADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC[C@@H]1c1ccsc1 ZINC000583089558 1086173082 /nfs/dbraw/zinc/17/30/82/1086173082.db2.gz IKKLQNCOANQOGE-OAHLLOKOSA-N -1 3 354.431 4.438 20 0 FIADHM O=C([O-])C[C@H]1CCCCN1Cc1oc2ccccc2c1Br ZINC000662213693 1086339950 /nfs/dbraw/zinc/33/99/50/1086339950.db2.gz FVMHRGHUSCVYBQ-LLVKDONJSA-N -1 3 352.228 4.025 20 0 FIADHM COc1c(Cl)cc(Cl)cc1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663261579 1086342455 /nfs/dbraw/zinc/34/24/55/1086342455.db2.gz LSQUTTIYAMSVMT-VIFPVBQESA-N -1 3 374.186 4.135 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000426990459 1086346138 /nfs/dbraw/zinc/34/61/38/1086346138.db2.gz IOMLSPBIPZPEOY-QGZVFWFLSA-N -1 3 367.470 4.428 20 0 FIADHM Cc1cc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)c(OC(F)F)cc1C ZINC000663262957 1086347366 /nfs/dbraw/zinc/34/73/66/1086347366.db2.gz VXRFOUYZJICDFP-LBPRGKRZSA-N -1 3 369.330 4.038 20 0 FIADHM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)ccc2O1 ZINC000583344108 1086593729 /nfs/dbraw/zinc/59/37/29/1086593729.db2.gz YFDFLAWGEUCVQY-UHFFFAOYSA-N -1 3 353.390 4.139 20 0 FIADHM O=C([N-]Cc1ccc2c(c1)CCO2)C(F)(F)c1cc(Cl)ccc1Cl ZINC001125661057 1086687999 /nfs/dbraw/zinc/68/79/99/1086687999.db2.gz LYQWZHBFASMNME-UHFFFAOYSA-N -1 3 372.198 4.337 20 0 FIADHM Cc1cccc2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)oc21 ZINC000147089848 1086713346 /nfs/dbraw/zinc/71/33/46/1086713346.db2.gz RXTFBLZCKRPRQF-ZDUSSCGKSA-N -1 3 352.777 4.356 20 0 FIADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccccc1Oc1ccccc1 ZINC000509732278 1086876015 /nfs/dbraw/zinc/87/60/15/1086876015.db2.gz RMRBFPNQAADQMM-CYBMUJFWSA-N -1 3 372.446 4.123 20 0 FIADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000509732280 1086877306 /nfs/dbraw/zinc/87/73/06/1086877306.db2.gz RMRBFPNQAADQMM-ZDUSSCGKSA-N -1 3 372.446 4.123 20 0 FIADHM Cc1cccc(NC(=S)N[N-]C(=O)c2cc(Cl)ccc2Cl)c1C ZINC000006632377 1086905697 /nfs/dbraw/zinc/90/56/97/1086905697.db2.gz YTYWCVHOXAMXGX-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM CSc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151589550 1087161520 /nfs/dbraw/zinc/16/15/20/1087161520.db2.gz XTCGLFGNINXVIH-UHFFFAOYSA-N -1 3 367.268 4.198 20 0 FIADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Cl)s1 ZINC000151650368 1087190464 /nfs/dbraw/zinc/19/04/64/1087190464.db2.gz CGEOAYWFVUEGAJ-MRVPVSSYSA-N -1 3 374.687 4.290 20 0 FIADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(-c2ccncc2)cc1 ZINC000080702255 1087272930 /nfs/dbraw/zinc/27/29/30/1087272930.db2.gz QQGJDPLZKGUWJH-AWEZNQCLSA-N -1 3 365.408 4.154 20 0 FIADHM C[C@H](c1ccccn1)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094063052 1087462837 /nfs/dbraw/zinc/46/28/37/1087462837.db2.gz UYGLOMKTOUUYOB-QGZVFWFLSA-N -1 3 360.457 4.406 20 0 FIADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC001125740779 1087575568 /nfs/dbraw/zinc/57/55/68/1087575568.db2.gz QPAUHPZJXYXVKL-VIFPVBQESA-N -1 3 360.813 4.083 20 0 FIADHM N#C/C(=C\c1cc([O-])ccc1Br)c1cnc2ccccc2n1 ZINC000191359708 1087766887 /nfs/dbraw/zinc/76/68/87/1087766887.db2.gz YQYONRTVXSALRO-KPKJPENVSA-N -1 3 352.191 4.162 20 0 FIADHM COc1ccc(-c2nc(CN3CCCC[C@@H]3CCC(=O)[O-])cs2)cc1 ZINC000424251797 1087872187 /nfs/dbraw/zinc/87/21/87/1087872187.db2.gz CUIGWGBBOAFXAA-MRXNPFEDSA-N -1 3 360.479 4.038 20 0 FIADHM CCOc1ccc(-c2nc(CN3CCCC[C@@H]3CCC(=O)[O-])cs2)cc1 ZINC000424261003 1087884321 /nfs/dbraw/zinc/88/43/21/1087884321.db2.gz ONTHXEGDZAFZFV-QGZVFWFLSA-N -1 3 374.506 4.428 20 0 FIADHM CCc1c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cnn1C(CC)CC ZINC000414379440 1088057293 /nfs/dbraw/zinc/05/72/93/1088057293.db2.gz GDKCQONGAMBUKE-QFBILLFUSA-N -1 3 361.511 4.104 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c(C)c1 ZINC000031776686 1088267400 /nfs/dbraw/zinc/26/74/00/1088267400.db2.gz SMPUYQKULWKVCK-UHFFFAOYSA-N -1 3 367.474 4.178 20 0 FIADHM O=C(CCc1ccc(F)cc1F)Nc1cc(Br)ccc1[O-] ZINC000505370266 1088382938 /nfs/dbraw/zinc/38/29/38/1088382938.db2.gz KXGRCJNZQLIIOB-UHFFFAOYSA-N -1 3 356.166 4.004 20 0 FIADHM CC[C@@](C)(NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1nc(C)cs1 ZINC000623018947 1088490834 /nfs/dbraw/zinc/49/08/34/1088490834.db2.gz ASEFDPRCPAYKAF-OAHLLOKOSA-N -1 3 358.385 4.231 20 0 FIADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623021318 1088716563 /nfs/dbraw/zinc/71/65/63/1088716563.db2.gz MPLMJXJFFSSTTI-UHFFFAOYSA-N -1 3 352.356 4.346 20 0 FIADHM COc1ccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)cc1Cl ZINC001211647398 1088765399 /nfs/dbraw/zinc/76/53/99/1088765399.db2.gz NOGMVPVUBVIZDZ-UHFFFAOYSA-N -1 3 363.200 4.477 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000659796845 1088876830 /nfs/dbraw/zinc/87/68/30/1088876830.db2.gz CUNCQCGVILXWSN-JKSUJKDBSA-N -1 3 368.235 4.433 20 0 FIADHM COc1ccc(C(Oc2[n-]c(=S)ncc2C)c2ccc(OC)cc2)cc1 ZINC001225741813 1088877025 /nfs/dbraw/zinc/87/70/25/1088877025.db2.gz CYZDYHAERRDHHC-UHFFFAOYSA-N -1 3 368.458 4.259 20 0 FIADHM O=C([O-])c1cccc(CN2CCC3(CCc4ccccc4O3)CC2)c1Cl ZINC000659800882 1088885867 /nfs/dbraw/zinc/88/58/67/1088885867.db2.gz CKFDIHQMHXAPCI-UHFFFAOYSA-N -1 3 371.864 4.398 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000188776859 1088984825 /nfs/dbraw/zinc/98/48/25/1088984825.db2.gz DADXRELHHHQNMP-UHFFFAOYSA-N -1 3 374.441 4.015 20 0 FIADHM Cc1ccc([O-])c(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)n1 ZINC000430101274 1088990738 /nfs/dbraw/zinc/99/07/38/1088990738.db2.gz WROFFNYESXFHCB-ACJLOTCBSA-N -1 3 366.383 4.076 20 0 FIADHM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)c2c(O)cccc21 ZINC000623023478 1089309936 /nfs/dbraw/zinc/30/99/36/1089309936.db2.gz JYHGQMPIOYGNBA-SNVBAGLBSA-N -1 3 351.324 4.271 20 0 FIADHM Cc1sc(CNC(=O)CCCc2ccc([O-])c(F)c2)nc1C(C)C ZINC000469268181 1089417086 /nfs/dbraw/zinc/41/70/86/1089417086.db2.gz NBUYESRZXZGDMQ-UHFFFAOYSA-N -1 3 350.459 4.059 20 0 FIADHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431844972 1089499526 /nfs/dbraw/zinc/49/95/26/1089499526.db2.gz NGQYTUJILSGHDT-HNAYVOBHSA-N -1 3 359.853 4.252 20 0 FIADHM O=C(Cc1cc(F)ccc1Br)Nc1c([O-])cccc1Cl ZINC000514830783 1089506110 /nfs/dbraw/zinc/50/61/10/1089506110.db2.gz BYLPJJFGVLPVQD-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)c3c(c2)OCCCO3)CC)n1 ZINC000435336235 1089541921 /nfs/dbraw/zinc/54/19/21/1089541921.db2.gz NFUHDZWOWOXSIJ-ZROIWOOFSA-N -1 3 374.868 4.488 20 0 FIADHM Cc1ccc(SC2(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)CCCC2)cc1 ZINC000616825347 1089654924 /nfs/dbraw/zinc/65/49/24/1089654924.db2.gz WQGYQXRJDQJMGJ-QGZVFWFLSA-N -1 3 371.506 4.035 20 0 FIADHM CC(C)(C)c1ccc(OCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000514995996 1089700587 /nfs/dbraw/zinc/70/05/87/1089700587.db2.gz PNORCTJRFNJQLI-UHFFFAOYSA-N -1 3 368.437 4.160 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@H](c2cccnc2)C1 ZINC000565310362 1089791927 /nfs/dbraw/zinc/79/19/27/1089791927.db2.gz VJXMEVRHDJAGIZ-LRDDRELGSA-N -1 3 351.233 4.004 20 0 FIADHM Cc1sc(C(C)(C)NCc2ncccc2[O-])nc1-c1ccccc1F ZINC000515290746 1089950658 /nfs/dbraw/zinc/95/06/58/1089950658.db2.gz ISQLDLICJVCWLC-UHFFFAOYSA-N -1 3 357.454 4.383 20 0 FIADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1ccc(Br)cc1 ZINC000431896495 1090486929 /nfs/dbraw/zinc/48/69/29/1090486929.db2.gz QATPPHOJUTWDCP-UHFFFAOYSA-N -1 3 354.631 4.475 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000431913637 1090615134 /nfs/dbraw/zinc/61/51/34/1090615134.db2.gz VZMUEDJJUNGEMD-UHFFFAOYSA-N -1 3 353.325 4.115 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nccn1-c1ccccc1 ZINC000584773100 1090872219 /nfs/dbraw/zinc/87/22/19/1090872219.db2.gz VKARAJMVRQBULP-OAHLLOKOSA-N -1 3 357.413 4.222 20 0 FIADHM CCCc1csc(CN[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])n1 ZINC000417567604 1090929723 /nfs/dbraw/zinc/92/97/23/1090929723.db2.gz SPCBGOBGSDCSAS-CQSZACIVSA-N -1 3 373.305 4.188 20 0 FIADHM C[S@@](=O)c1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000417577598 1090930125 /nfs/dbraw/zinc/93/01/25/1090930125.db2.gz WWNRWUOZTBAZNR-AFMDSPMNSA-N -1 3 373.518 4.027 20 0 FIADHM CC(C)=CCSC[C@@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000417604010 1090936609 /nfs/dbraw/zinc/93/66/09/1090936609.db2.gz ARBWUKNZDUZZSG-CQSZACIVSA-N -1 3 353.871 4.328 20 0 FIADHM Cc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)sc1Br ZINC000417622348 1090941966 /nfs/dbraw/zinc/94/19/66/1090941966.db2.gz IIIIBRRHOKVQSL-KGLIPLIRSA-N -1 3 366.280 4.222 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)s2)o1 ZINC000417615659 1090944354 /nfs/dbraw/zinc/94/43/54/1090944354.db2.gz ACEOCCCWQURNEH-HZPDHXFCSA-N -1 3 354.431 4.114 20 0 FIADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000417629383 1090944837 /nfs/dbraw/zinc/94/48/37/1090944837.db2.gz XBYIFFTXNCLTKI-TZMCWYRMSA-N -1 3 351.324 4.084 20 0 FIADHM O=C([O-])[C@@H]1C[C@H](NCc2ccc(OC(F)F)c(Cl)c2)c2ccccc21 ZINC000417630033 1090944845 /nfs/dbraw/zinc/94/48/45/1090944845.db2.gz QTOPQDLAMGWSDP-HIFRSBDPSA-N -1 3 367.779 4.344 20 0 FIADHM CCc1ccc(-c2ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)o2)cc1 ZINC000417627826 1090948846 /nfs/dbraw/zinc/94/88/46/1090948846.db2.gz ONCQIRIHDGSGSL-AWEZNQCLSA-N -1 3 355.356 4.252 20 0 FIADHM Cc1cc(CNCc2ccc(OCC(F)(F)F)c(F)c2)ccc1C(=O)[O-] ZINC000417665409 1090957877 /nfs/dbraw/zinc/95/78/77/1090957877.db2.gz CPBWKYGADTYKJT-UHFFFAOYSA-N -1 3 371.330 4.063 20 0 FIADHM O=C(Cc1ccc2ccccc2c1)N[N-]C(=O)c1cccc(Cl)c1Cl ZINC000053604990 1091235114 /nfs/dbraw/zinc/23/51/14/1091235114.db2.gz KPLNIOFYDPMQGV-UHFFFAOYSA-N -1 3 373.239 4.150 20 0 FIADHM COc1cc(NC(=O)c2c(C)cccc2[O-])c(Cl)cc1Br ZINC001167758610 1091282873 /nfs/dbraw/zinc/28/28/73/1091282873.db2.gz WRYIVRDABMLGAO-UHFFFAOYSA-N -1 3 370.630 4.377 20 0 FIADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1sccc1Cl ZINC000511821223 1091748793 /nfs/dbraw/zinc/74/87/93/1091748793.db2.gz CPZSBKICEWDEJG-UHFFFAOYSA-N -1 3 353.831 4.235 20 0 FIADHM COC(=O)c1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc(Cl)c1F ZINC000473232264 1091820070 /nfs/dbraw/zinc/82/00/70/1091820070.db2.gz XJHGMOJOGSCNOM-UHFFFAOYSA-N -1 3 373.767 4.377 20 0 FIADHM COC(=O)c1cnc(SCCCCOc2cccc(C(F)(F)F)c2)[n-]1 ZINC000432668879 1092043522 /nfs/dbraw/zinc/04/35/22/1092043522.db2.gz LEDFANLTMIKYJZ-UHFFFAOYSA-N -1 3 374.384 4.166 20 0 FIADHM C[C@H](c1ccc(CSc2nc3nncc-3c(O)[n-]2)cc1)C(F)(F)F ZINC000418813753 1092243799 /nfs/dbraw/zinc/24/37/99/1092243799.db2.gz DMDZHVSSJMIEKL-MRVPVSSYSA-N -1 3 354.357 4.017 20 0 FIADHM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093997 1092290220 /nfs/dbraw/zinc/29/02/20/1092290220.db2.gz HUWPVEAPOSJLKF-CZUORRHYSA-N -1 3 354.431 4.032 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1Cl ZINC000432766023 1092290941 /nfs/dbraw/zinc/29/09/41/1092290941.db2.gz ASLWUQHMEZPOIW-GFCCVEGCSA-N -1 3 369.870 4.165 20 0 FIADHM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1c[n-]c2ccccc2c1=O ZINC000051419568 1092404816 /nfs/dbraw/zinc/40/48/16/1092404816.db2.gz JIAJUKHWOBSZLK-UHFFFAOYSA-N -1 3 373.239 4.254 20 0 FIADHM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000500758368 1092517553 /nfs/dbraw/zinc/51/75/53/1092517553.db2.gz KOHQZPHSNMWNMY-ZWKOTPCHSA-N -1 3 359.853 4.159 20 0 FIADHM O=S(=O)([N-]Cc1c(Cl)cccc1Cl)c1ccc(Cl)s1 ZINC000521772014 1092909118 /nfs/dbraw/zinc/90/91/18/1092909118.db2.gz LWSRNZLVYZHQGX-UHFFFAOYSA-N -1 3 356.683 4.187 20 0 FIADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc3ncccc3o2)s1 ZINC001271107833 1093014203 /nfs/dbraw/zinc/01/42/03/1093014203.db2.gz ASYJXUJKNGODSV-UHFFFAOYSA-N -1 3 354.366 4.046 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c(Cl)c1 ZINC000191229644 1093123590 /nfs/dbraw/zinc/12/35/90/1093123590.db2.gz GTWZEYWGOLRLNZ-UHFFFAOYSA-N -1 3 370.257 4.232 20 0 FIADHM [O-]c1ccc(F)c(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2)c1F ZINC000512683578 1093136197 /nfs/dbraw/zinc/13/61/97/1093136197.db2.gz URVPKLZHNLDDOB-NSHDSACASA-N -1 3 372.337 4.058 20 0 FIADHM O=c1[n-]c(CN[C@H](c2ccccc2)C(F)F)nc2c3ccccc3oc21 ZINC000433059217 1093177111 /nfs/dbraw/zinc/17/71/11/1093177111.db2.gz SIHGTYANLBZORZ-OAHLLOKOSA-N -1 3 355.344 4.178 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3ccccc3)nc(=O)c2c1C ZINC000010646793 1093193542 /nfs/dbraw/zinc/19/35/42/1093193542.db2.gz HMGZHYKSRSYLBE-LLVKDONJSA-N -1 3 374.487 4.323 20 0 FIADHM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc([O-])ccc1Cl ZINC000512769881 1093313353 /nfs/dbraw/zinc/31/33/53/1093313353.db2.gz BQZVNBKDSJTMJK-UHFFFAOYSA-N -1 3 363.694 4.378 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c(C)c1 ZINC000512940693 1093578556 /nfs/dbraw/zinc/57/85/56/1093578556.db2.gz PQBMIBYZVHOCAC-UHFFFAOYSA-N -1 3 358.507 4.076 20 0 FIADHM CCOc1cc(CNc2cccc([S@@](C)(=O)=NC)c2)cc(Cl)c1[O-] ZINC000895732756 1093686554 /nfs/dbraw/zinc/68/65/54/1093686554.db2.gz ANRGOJLQFMQAJE-XMMPIXPASA-N -1 3 368.886 4.143 20 0 FIADHM Cc1nc(C)c([C@H](C)N(C)C(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000469048088 1093710667 /nfs/dbraw/zinc/71/06/67/1093710667.db2.gz RFKQTUYRVZNZIT-LBPRGKRZSA-N -1 3 350.459 4.147 20 0 FIADHM CC(C)C[C@H]1CCCCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000895873719 1093746740 /nfs/dbraw/zinc/74/67/40/1093746740.db2.gz VRXORPHTHHDFNU-CYBMUJFWSA-N -1 3 362.420 4.237 20 0 FIADHM CN(C)Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1Br ZINC000513100033 1093846048 /nfs/dbraw/zinc/84/60/48/1093846048.db2.gz FPYOOGDYCIGFKM-UHFFFAOYSA-N -1 3 371.225 4.107 20 0 FIADHM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)CO2 ZINC000474512869 1093852129 /nfs/dbraw/zinc/85/21/29/1093852129.db2.gz CJMPMJIFPVEIKX-ZDUSSCGKSA-N -1 3 351.324 4.143 20 0 FIADHM CCc1cccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)c1[O-] ZINC001143555777 1093893258 /nfs/dbraw/zinc/89/32/58/1093893258.db2.gz MTCQSOWPZKLUQL-NRFANRHFSA-N -1 3 367.489 4.369 20 0 FIADHM Cc1ccc(-c2noc([C@@H](C)NCc3c(F)ccc([O-])c3F)n2)cc1F ZINC000513168087 1093978264 /nfs/dbraw/zinc/97/82/64/1093978264.db2.gz RLSAUDMXKJQFMI-SNVBAGLBSA-N -1 3 363.339 4.019 20 0 FIADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccnc1 ZINC000433744504 1094073945 /nfs/dbraw/zinc/07/39/45/1094073945.db2.gz KNZGJDIMQTVZPS-CYBMUJFWSA-N -1 3 373.305 4.107 20 0 FIADHM CN(CCC(F)(F)F)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000513678240 1094269617 /nfs/dbraw/zinc/26/96/17/1094269617.db2.gz KDGGSQCDKRIKOL-UHFFFAOYSA-N -1 3 357.357 4.041 20 0 FIADHM O=c1cc(CSCc2ccc(Oc3ccccc3)nn2)nc(C2CC2)[n-]1 ZINC000419441428 1094437311 /nfs/dbraw/zinc/43/73/11/1094437311.db2.gz TZGAXAHLIKLLFM-UHFFFAOYSA-N -1 3 366.446 4.075 20 0 FIADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1C1CC1 ZINC000563897029 1094487499 /nfs/dbraw/zinc/48/74/99/1094487499.db2.gz KLWGTOPMFJLCOH-GFCCVEGCSA-N -1 3 367.902 4.327 20 0 FIADHM C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000329010220 1094711182 /nfs/dbraw/zinc/71/11/82/1094711182.db2.gz OJJZNXZZVDIGSN-KNKQGSTJSA-N -1 3 353.462 4.091 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c(C)c1 ZINC000501789320 1094925271 /nfs/dbraw/zinc/92/52/71/1094925271.db2.gz BCSRTDVZLXBPOV-UHFFFAOYSA-N -1 3 363.479 4.120 20 0 FIADHM O=S(=O)([N-][C@H]1CSc2ccccc21)c1cccc(Cl)c1Cl ZINC000522751719 1095638329 /nfs/dbraw/zinc/63/83/29/1095638329.db2.gz BTFJDEFAMOHFCJ-NSHDSACASA-N -1 3 360.287 4.119 20 0 FIADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cccc(Cl)c1Cl ZINC000522751718 1095638805 /nfs/dbraw/zinc/63/88/05/1095638805.db2.gz BTFJDEFAMOHFCJ-LLVKDONJSA-N -1 3 360.287 4.119 20 0 FIADHM CC(C)Oc1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)s1 ZINC000502816318 1095868024 /nfs/dbraw/zinc/86/80/24/1095868024.db2.gz BXPGLQBQCFQCBX-UHFFFAOYSA-N -1 3 374.447 4.013 20 0 FIADHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000103057711 1095944613 /nfs/dbraw/zinc/94/46/13/1095944613.db2.gz AMXUIWQUDZHAJN-UHFFFAOYSA-N -1 3 353.724 4.299 20 0 FIADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000503096892 1096072002 /nfs/dbraw/zinc/07/20/02/1096072002.db2.gz JVDOZBJCYKSPIL-IBGZPJMESA-N -1 3 352.821 4.063 20 0 FIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000273506384 1096268547 /nfs/dbraw/zinc/26/85/47/1096268547.db2.gz SZLFHKBOWDBMRB-UHFFFAOYSA-N -1 3 372.475 4.257 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCCCC3CCCC3)cc2)cc(=O)[n-]1 ZINC000503263441 1096335734 /nfs/dbraw/zinc/33/57/34/1096335734.db2.gz NJJIIJPAZJXJNY-UHFFFAOYSA-N -1 3 354.454 4.250 20 0 FIADHM CC(C)c1cnc(-c2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2)o1 ZINC000503653332 1096517194 /nfs/dbraw/zinc/51/71/94/1096517194.db2.gz PNGFDISOUGKRIR-UHFFFAOYSA-N -1 3 365.368 4.128 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](c3ccccc3)C3CC3)cc2)cc(=O)[n-]1 ZINC000504136150 1096685435 /nfs/dbraw/zinc/68/54/35/1096685435.db2.gz MYOBPIIMWSTSTP-NRFANRHFSA-N -1 3 374.444 4.430 20 0 FIADHM COCc1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1 ZINC000504466818 1096781195 /nfs/dbraw/zinc/78/11/95/1096781195.db2.gz FNSJUUWFHKCXKH-UHFFFAOYSA-N -1 3 363.186 4.050 20 0 FIADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000515591936 1098758788 /nfs/dbraw/zinc/75/87/88/1098758788.db2.gz PQCFVTCYMUTXIS-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000533189147 1098858224 /nfs/dbraw/zinc/85/82/24/1098858224.db2.gz WTLJGPPNEJGCPX-UHFFFAOYSA-N -1 3 350.802 4.171 20 0 FIADHM Cc1cccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1[O-] ZINC000436482565 1099043234 /nfs/dbraw/zinc/04/32/34/1099043234.db2.gz AVCDMYSVKNWGSJ-OAHLLOKOSA-N -1 3 350.418 4.248 20 0 FIADHM COc1ccc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c([O-])c1 ZINC000436492460 1099054090 /nfs/dbraw/zinc/05/40/90/1099054090.db2.gz ROZCMAMUJJJZDC-LBPRGKRZSA-N -1 3 363.816 4.041 20 0 FIADHM Cc1noc(C)c1C[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436535946 1099090173 /nfs/dbraw/zinc/09/01/73/1099090173.db2.gz MBDVTEMVUNQJNQ-ZDUSSCGKSA-N -1 3 366.417 4.150 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c([O-])c1 ZINC000436550739 1099097291 /nfs/dbraw/zinc/09/72/91/1099097291.db2.gz TVGXFIWGRVBTOC-OAHLLOKOSA-N -1 3 366.461 4.133 20 0 FIADHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436552152 1099098010 /nfs/dbraw/zinc/09/80/10/1099098010.db2.gz BUYKJRPTEZZNCG-UHFFFAOYSA-N -1 3 358.825 4.135 20 0 FIADHM O=C(Nc1nnc(C(F)F)s1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436553918 1099099388 /nfs/dbraw/zinc/09/93/88/1099099388.db2.gz INGFVTUKCOLMLE-UHFFFAOYSA-N -1 3 363.345 4.226 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c([O-])c1C ZINC000436541792 1099106817 /nfs/dbraw/zinc/10/68/17/1099106817.db2.gz YFVBQYAQZIPLIO-UHFFFAOYSA-N -1 3 357.460 4.264 20 0 FIADHM COc1cc(CN(C(=O)c2ccc(C(C)C)cc2[O-])C2CC2)ccc1O ZINC000436593242 1099125791 /nfs/dbraw/zinc/12/57/91/1099125791.db2.gz CYARTLKEAGUMPE-UHFFFAOYSA-N -1 3 355.434 4.035 20 0 FIADHM C[S@@](=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436590379 1099136608 /nfs/dbraw/zinc/13/66/08/1099136608.db2.gz MQDZZCTUIMBIGX-AREMUKBSSA-N -1 3 367.426 4.174 20 0 FIADHM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436604410 1099140885 /nfs/dbraw/zinc/14/08/85/1099140885.db2.gz CKXZBUKKAJZGEP-XLIONFOSSA-N -1 3 367.489 4.139 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1[O-] ZINC000436612922 1099145577 /nfs/dbraw/zinc/14/55/77/1099145577.db2.gz ZZRKIYSMZODYKT-MRXNPFEDSA-N -1 3 357.837 4.096 20 0 FIADHM Cc1nc(C)c(CCNC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000436612120 1099148128 /nfs/dbraw/zinc/14/81/28/1099148128.db2.gz PIADDLCWAIOHEP-UHFFFAOYSA-N -1 3 366.486 4.029 20 0 FIADHM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436614193 1099149560 /nfs/dbraw/zinc/14/95/60/1099149560.db2.gz ZQIDOGMYECIXBO-SJORKVTESA-N -1 3 369.461 4.340 20 0 FIADHM COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2c([O-])cccc2O)cc1 ZINC000436649438 1099171844 /nfs/dbraw/zinc/17/18/44/1099171844.db2.gz SIVJKDBEDFMOEO-CQSZACIVSA-N -1 3 363.413 4.264 20 0 FIADHM Cc1ccc(C(=O)NCCC(=O)Nc2ccccc2-c2ccccc2)c([O-])c1 ZINC000436639502 1099181718 /nfs/dbraw/zinc/18/17/18/1099181718.db2.gz PSKAIGQJRQVXMU-UHFFFAOYSA-N -1 3 374.440 4.126 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnn(Cc2ccccc2Cl)c1 ZINC000533618541 1099215804 /nfs/dbraw/zinc/21/58/04/1099215804.db2.gz RHDZBZQSLWTPCZ-UHFFFAOYSA-N -1 3 362.216 4.196 20 0 FIADHM CC1(C)Cc2ccc(C(=O)N3CC4(CCC4)c4c3cccc4F)c([O-])c2O1 ZINC000436683890 1099217651 /nfs/dbraw/zinc/21/76/51/1099217651.db2.gz WBPORXNQADIFLQ-UHFFFAOYSA-N -1 3 367.420 4.327 20 0 FIADHM CC1CCN([C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)c2ccccc2)CC1 ZINC000436686873 1099219887 /nfs/dbraw/zinc/21/98/87/1099219887.db2.gz GRKJPXLBTBHPNF-IBGZPJMESA-N -1 3 372.896 4.249 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1[O-] ZINC000436710008 1099227821 /nfs/dbraw/zinc/22/78/21/1099227821.db2.gz QKPWAEYNUBCXMG-UHFFFAOYSA-N -1 3 373.412 4.051 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1[O-] ZINC000436718018 1099250011 /nfs/dbraw/zinc/25/00/11/1099250011.db2.gz VPHIHUREBJDGTA-UHFFFAOYSA-N -1 3 350.374 4.149 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000533654075 1099259842 /nfs/dbraw/zinc/25/98/42/1099259842.db2.gz OMCUAQBUBKDFRO-NRFANRHFSA-N -1 3 374.440 4.064 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c([O-])c1 ZINC000436739529 1099259844 /nfs/dbraw/zinc/25/98/44/1099259844.db2.gz OMTOJJVCJSJTMS-UHFFFAOYSA-N -1 3 352.409 4.341 20 0 FIADHM COc1ccc(C(=O)N(Cc2ccco2)Cc2cccc(C)c2)c([O-])c1 ZINC000436754082 1099288167 /nfs/dbraw/zinc/28/81/67/1099288167.db2.gz GXVLZHBEMQBNJC-UHFFFAOYSA-N -1 3 351.402 4.145 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000436783735 1099314680 /nfs/dbraw/zinc/31/46/80/1099314680.db2.gz NEGNLHANWDETKD-SECBINFHSA-N -1 3 367.232 4.148 20 0 FIADHM CC(C)c1ccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c([O-])c1 ZINC000436792358 1099325504 /nfs/dbraw/zinc/32/55/04/1099325504.db2.gz NCIUZFNVCAHRKW-MRXNPFEDSA-N -1 3 359.491 4.399 20 0 FIADHM CC(C)c1noc(-c2ccccc2C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000436814506 1099340955 /nfs/dbraw/zinc/34/09/55/1099340955.db2.gz RPSHASMPMGOGSL-UHFFFAOYSA-N -1 3 357.797 4.471 20 0 FIADHM CN(CCc1ccccc1O)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436829958 1099341044 /nfs/dbraw/zinc/34/10/44/1099341044.db2.gz CCWIYVIINBWTHC-UHFFFAOYSA-N -1 3 361.441 4.003 20 0 FIADHM COc1ccc(C(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000436830570 1099342728 /nfs/dbraw/zinc/34/27/28/1099342728.db2.gz DAXZMXYLZIHTSM-UHFFFAOYSA-N -1 3 359.853 4.248 20 0 FIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1-c1c(F)cccc1F ZINC000436832804 1099343386 /nfs/dbraw/zinc/34/33/86/1099343386.db2.gz ISAHDXWEQKAYFL-UHFFFAOYSA-N -1 3 363.751 4.070 20 0 FIADHM CCOC(=O)c1c(Nc2ccc([O-])c(F)c2F)sc2c1CCCC2=O ZINC001212000187 1099343495 /nfs/dbraw/zinc/34/34/95/1099343495.db2.gz RLJAZOHPJFIFMQ-UHFFFAOYSA-N -1 3 367.373 4.171 20 0 FIADHM CC(C)[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCO1 ZINC000436820731 1099349461 /nfs/dbraw/zinc/34/94/61/1099349461.db2.gz MQWALRMPPQTAAP-JOCHJYFZSA-N -1 3 367.489 4.065 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000436827248 1099351903 /nfs/dbraw/zinc/35/19/03/1099351903.db2.gz SSAXVYMWDBKBIW-AWEZNQCLSA-N -1 3 367.470 4.407 20 0 FIADHM CCc1ccc(-c2nc(-c3ccc(C)cc3OCCCOC)no2)c([O-])c1 ZINC000436857005 1099356864 /nfs/dbraw/zinc/35/68/64/1099356864.db2.gz BPOGPTXCUKTEED-UHFFFAOYSA-N -1 3 368.433 4.395 20 0 FIADHM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001212018708 1099378235 /nfs/dbraw/zinc/37/82/35/1099378235.db2.gz XBQWSIPSLGNJEZ-NEPJUHHUSA-N -1 3 372.943 4.444 20 0 FIADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(OC)c([O-])c(OC)c2)o1 ZINC000436867633 1099378557 /nfs/dbraw/zinc/37/85/57/1099378557.db2.gz DPTQRFNXYKAKOH-XJKSGUPXSA-N -1 3 373.449 4.178 20 0 FIADHM CC(C)CNC(=O)c1ccc(Cl)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212014071 1099378567 /nfs/dbraw/zinc/37/85/67/1099378567.db2.gz XXHASLWFINHEGV-UHFFFAOYSA-N -1 3 354.784 4.453 20 0 FIADHM CCOC(=O)c1cc(Nc2ccc([O-])c(F)c2F)ccc1Br ZINC001212016387 1099383146 /nfs/dbraw/zinc/38/31/46/1099383146.db2.gz NOQVYJPTWVYFSI-UHFFFAOYSA-N -1 3 372.165 4.353 20 0 FIADHM CC(C)(NC(=O)c1ccccc1)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436886222 1099401821 /nfs/dbraw/zinc/40/18/21/1099401821.db2.gz RGGAHCGHFMSXTL-UHFFFAOYSA-N -1 3 373.412 4.261 20 0 FIADHM COc1ccc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cn1 ZINC000436891452 1099409527 /nfs/dbraw/zinc/40/95/27/1099409527.db2.gz ISCCFCRNWSGPKR-UHFFFAOYSA-N -1 3 359.385 4.104 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(C(F)(F)F)c(F)c3)no2)c1 ZINC000436907769 1099415901 /nfs/dbraw/zinc/41/59/01/1099415901.db2.gz YQPPRPHRQKTXTG-UHFFFAOYSA-N -1 3 354.259 4.276 20 0 FIADHM CC(C)c1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c([O-])c1 ZINC000436897254 1099421644 /nfs/dbraw/zinc/42/16/44/1099421644.db2.gz RKAXCNWSZNDTTB-UHFFFAOYSA-N -1 3 371.824 4.400 20 0 FIADHM COc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000614882501 1099425646 /nfs/dbraw/zinc/42/56/46/1099425646.db2.gz ZYPIVMGGEGFNDR-UHFFFAOYSA-N -1 3 355.415 4.288 20 0 FIADHM C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436947954 1099458323 /nfs/dbraw/zinc/45/83/23/1099458323.db2.gz MWHXOFGZMNZUHO-AWEZNQCLSA-N -1 3 373.412 4.129 20 0 FIADHM CCCCOc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000436982444 1099488343 /nfs/dbraw/zinc/48/83/43/1099488343.db2.gz XJGZXJQNJMRMNV-HRAATJIYSA-N -1 3 369.461 4.173 20 0 FIADHM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1ccccc1[O-] ZINC000436992084 1099494747 /nfs/dbraw/zinc/49/47/47/1099494747.db2.gz UCSSRUNLPUHOAN-AWEZNQCLSA-N -1 3 362.267 4.248 20 0 FIADHM Cc1ccc(-c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)c([O-])c1 ZINC000436996865 1099501756 /nfs/dbraw/zinc/50/17/56/1099501756.db2.gz HIESUUAAGVRNKM-UHFFFAOYSA-N -1 3 358.781 4.232 20 0 FIADHM O=C(CCc1nc(C2CCCC2)no1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000161664254 1099522199 /nfs/dbraw/zinc/52/21/99/1099522199.db2.gz FMTTVOYFOAATSZ-UHFFFAOYSA-N -1 3 369.343 4.023 20 0 FIADHM O=C(CCc1cc(F)ccc1F)Nc1ccc(Br)cc1[O-] ZINC000516594890 1099646236 /nfs/dbraw/zinc/64/62/36/1099646236.db2.gz DILOZYZIQNFQAB-UHFFFAOYSA-N -1 3 356.166 4.004 20 0 FIADHM CC(C)COC[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1ccco1 ZINC000437204788 1099703192 /nfs/dbraw/zinc/70/31/92/1099703192.db2.gz ZOAZWWBCDIUBHF-SFHVURJKSA-N -1 3 373.474 4.125 20 0 FIADHM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000263152020 1099766797 /nfs/dbraw/zinc/76/67/97/1099766797.db2.gz PNZFQCKBUDFXGI-KRWDZBQOSA-N -1 3 366.461 4.016 20 0 FIADHM O=C([O-])C1CCC(NCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000263374674 1099785002 /nfs/dbraw/zinc/78/50/02/1099785002.db2.gz AETGJIUGMGZOGB-UHFFFAOYSA-N -1 3 356.447 4.289 20 0 FIADHM COCC[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000263396342 1099785929 /nfs/dbraw/zinc/78/59/29/1099785929.db2.gz GTEOGCGTGYGZLT-KRWDZBQOSA-N -1 3 367.367 4.271 20 0 FIADHM CC1(C)CN(c2ccc(Cl)cc2)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263391032 1099786097 /nfs/dbraw/zinc/78/60/97/1099786097.db2.gz FDSMPKKLLCUICZ-UHFFFAOYSA-N -1 3 358.869 4.139 20 0 FIADHM O=C(NCc1ccnc(Oc2ccccc2F)c1)c1cc([O-])ccc1Cl ZINC000508734817 1099969735 /nfs/dbraw/zinc/96/97/35/1099969735.db2.gz QCRYPGODHXKUOO-UHFFFAOYSA-N -1 3 372.783 4.302 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(C2CC2)nn1-c1ccccc1 ZINC000517090271 1100066487 /nfs/dbraw/zinc/06/64/87/1100066487.db2.gz JCLQKMMTDQHXMG-UHFFFAOYSA-N -1 3 353.809 4.361 20 0 FIADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2ccccc2)cs1 ZINC000459415537 1100141254 /nfs/dbraw/zinc/14/12/54/1100141254.db2.gz ZTKMARCHCDQHJH-LBPRGKRZSA-N -1 3 352.463 4.034 20 0 FIADHM CCc1cccc(C(=O)N(C)Cc2ccc(Br)s2)c1[O-] ZINC000536698584 1100201639 /nfs/dbraw/zinc/20/16/39/1100201639.db2.gz SQBLXEVLFLYELE-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)c(Cl)cc1Cl ZINC000459482451 1100218072 /nfs/dbraw/zinc/21/80/72/1100218072.db2.gz XNBFBJZHUMJJEN-MRVPVSSYSA-N -1 3 356.228 4.356 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000469375246 1100425657 /nfs/dbraw/zinc/42/56/57/1100425657.db2.gz MKBNZRBSVBJYSH-WBMJQRKESA-N -1 3 365.807 4.319 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000517611197 1100526847 /nfs/dbraw/zinc/52/68/47/1100526847.db2.gz CJWLZZHYSXDRTJ-HNNXBMFYSA-N -1 3 355.463 4.187 20 0 FIADHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000518049750 1100877954 /nfs/dbraw/zinc/87/79/54/1100877954.db2.gz OFJHBVSGWXMQQB-UHFFFAOYSA-N -1 3 362.357 4.369 20 0 FIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000438782909 1100915268 /nfs/dbraw/zinc/91/52/68/1100915268.db2.gz CWNQSADGRQZOAE-UHFFFAOYSA-N -1 3 355.818 4.119 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCc4ccccc43)cc2)cc(=O)[n-]1 ZINC000518447601 1101207813 /nfs/dbraw/zinc/20/78/13/1101207813.db2.gz LJTVWNOKSBCXRM-QGZVFWFLSA-N -1 3 374.444 4.009 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(C2CCCC2)cc1 ZINC000648431149 1101320114 /nfs/dbraw/zinc/32/01/14/1101320114.db2.gz JPSXIGJREKRSNM-UHFFFAOYSA-N -1 3 371.790 4.431 20 0 FIADHM Cc1onc(-c2ccccc2)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537120628 1101464718 /nfs/dbraw/zinc/46/47/18/1101464718.db2.gz ZPQSILIGKHRUHY-UHFFFAOYSA-N -1 3 358.401 4.023 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000537107684 1101473535 /nfs/dbraw/zinc/47/35/35/1101473535.db2.gz LLBGXNQITHSSIB-LJQANCHMSA-N -1 3 367.880 4.472 20 0 FIADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1cc(Br)ccc1[O-] ZINC000537183242 1101536918 /nfs/dbraw/zinc/53/69/18/1101536918.db2.gz VZWQAXRNMPSNPE-UHFFFAOYSA-N -1 3 359.223 4.207 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1C ZINC000518791603 1101573893 /nfs/dbraw/zinc/57/38/93/1101573893.db2.gz KFGANZANYCABMR-UHFFFAOYSA-N -1 3 363.479 4.038 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C(C)C)[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000518910157 1101713241 /nfs/dbraw/zinc/71/32/41/1101713241.db2.gz HDKPWWSGIXXLMM-PXNSSMCTSA-N -1 3 368.481 4.302 20 0 FIADHM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024895375 1101822583 /nfs/dbraw/zinc/82/25/83/1101822583.db2.gz ZPOOQPRBGRGUMR-SDNWHVSQSA-N -1 3 372.490 4.008 20 0 FIADHM C[C@@H]1COCC[C@@H]1c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000519070828 1101906736 /nfs/dbraw/zinc/90/67/36/1101906736.db2.gz YPPNQSCTHPNYPL-PBHICJAKSA-N -1 3 350.418 4.173 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c(C)c1 ZINC000475816053 1101940586 /nfs/dbraw/zinc/94/05/86/1101940586.db2.gz LWFSDBLNRXBADH-UHFFFAOYSA-N -1 3 368.458 4.175 20 0 FIADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cnc(C2CC2)s1 ZINC000519142530 1101952295 /nfs/dbraw/zinc/95/22/95/1101952295.db2.gz VRZXBPFJHQGYHT-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000263398785 1102111555 /nfs/dbraw/zinc/11/15/55/1102111555.db2.gz HJTZMVLHCPUUPJ-CQSZACIVSA-N -1 3 366.280 4.227 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1F ZINC000440308071 1102186036 /nfs/dbraw/zinc/18/60/36/1102186036.db2.gz GFOYTUNGKILYRW-UHFFFAOYSA-N -1 3 361.360 4.430 20 0 FIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000475838963 1102196559 /nfs/dbraw/zinc/19/65/59/1102196559.db2.gz YLLRAONEIMCKHP-UHFFFAOYSA-N -1 3 357.884 4.412 20 0 FIADHM Cc1cccc(C[C@@H](CNCc2csc(-c3cccs3)n2)C(=O)[O-])c1 ZINC000426649327 1102247217 /nfs/dbraw/zinc/24/72/17/1102247217.db2.gz XHSPOVKCSQTFGI-HNNXBMFYSA-N -1 3 372.515 4.213 20 0 FIADHM Cc1cccc(C[C@@H](CNCc2ncc(-c3ccccc3)s2)C(=O)[O-])c1 ZINC000426654883 1102256375 /nfs/dbraw/zinc/25/63/75/1102256375.db2.gz AWXFLJTZSRTIQO-SFHVURJKSA-N -1 3 366.486 4.152 20 0 FIADHM CCOc1ccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)cc1F ZINC000666586740 1102310399 /nfs/dbraw/zinc/31/03/99/1102310399.db2.gz WILNOVQLCHILDI-UHFFFAOYSA-N -1 3 357.425 4.302 20 0 FIADHM O=C([O-])c1ccccc1C1CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000666585661 1102313296 /nfs/dbraw/zinc/31/32/96/1102313296.db2.gz FTUAJYHINOQBDN-UHFFFAOYSA-N -1 3 368.458 4.481 20 0 FIADHM COc1ccc(C(C)(C)C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000532449420 1102347538 /nfs/dbraw/zinc/34/75/38/1102347538.db2.gz OEIILPQJTIQPGC-UHFFFAOYSA-N -1 3 364.239 4.080 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1F ZINC000614825589 1102368515 /nfs/dbraw/zinc/36/85/15/1102368515.db2.gz NXTRZZZIYJSVMC-UHFFFAOYSA-N -1 3 367.442 4.060 20 0 FIADHM Cc1occc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000618759136 1102374917 /nfs/dbraw/zinc/37/49/17/1102374917.db2.gz VJUWDKVEFQSJMG-UHFFFAOYSA-N -1 3 354.642 4.027 20 0 FIADHM O=C(Cc1ccc(F)c(Br)c1)Nc1cc(Cl)ccc1[O-] ZINC000111210909 1102477362 /nfs/dbraw/zinc/47/73/62/1102477362.db2.gz WJMDMIGOHQHWJI-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM Cc1cccc(C[C@H](CNCc2csc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000426659418 1102504698 /nfs/dbraw/zinc/50/46/98/1102504698.db2.gz FOJGICCDAOFUNM-GOSISDBHSA-N -1 3 366.486 4.152 20 0 FIADHM Cc1csc(-c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)n1 ZINC000101530092 1102527190 /nfs/dbraw/zinc/52/71/90/1102527190.db2.gz RKDGRHJKMOGHQN-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cs1 ZINC000111363486 1102530506 /nfs/dbraw/zinc/53/05/06/1102530506.db2.gz LAYJFHUQFNCIKS-MRVPVSSYSA-N -1 3 365.307 4.052 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2)n1 ZINC000122990490 1102719642 /nfs/dbraw/zinc/71/96/42/1102719642.db2.gz TZEKKPVCYSTNAE-CGTJXYLNSA-N -1 3 365.477 4.290 20 0 FIADHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1F ZINC000532659264 1102755833 /nfs/dbraw/zinc/75/58/33/1102755833.db2.gz GUIWVHNNRDRUSL-UHFFFAOYSA-N -1 3 352.203 4.210 20 0 FIADHM CCOc1cc(CN2CCO[C@H](c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000459309065 1102773594 /nfs/dbraw/zinc/77/35/94/1102773594.db2.gz SDOHPELNRRLXLT-SFHVURJKSA-N -1 3 365.832 4.157 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Sc3ncccn3)cc2C)c1 ZINC000550221447 1102774137 /nfs/dbraw/zinc/77/41/37/1102774137.db2.gz OJILLPJNNMSFLR-UHFFFAOYSA-N -1 3 351.431 4.203 20 0 FIADHM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000426670851 1102782081 /nfs/dbraw/zinc/78/20/81/1102782081.db2.gz IENYKIONSRTJKM-FQEVSTJZSA-N -1 3 357.450 4.098 20 0 FIADHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc([O-])ccc1Cl ZINC000551014681 1102789503 /nfs/dbraw/zinc/78/95/03/1102789503.db2.gz XGELXXLPAZYQBR-SNVBAGLBSA-N -1 3 357.759 4.425 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1[O-] ZINC000537668873 1102795859 /nfs/dbraw/zinc/79/58/59/1102795859.db2.gz CFIZZOUAGLDGCW-CQSZACIVSA-N -1 3 368.408 4.255 20 0 FIADHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@@H](c2ccsc2)O1 ZINC000459341216 1102855311 /nfs/dbraw/zinc/85/53/11/1102855311.db2.gz NSHVQHAPKVHVKZ-ABAIWWIYSA-N -1 3 368.296 4.178 20 0 FIADHM CCOc1cc(CN2CCO[C@@H](c3ccsc3)C2)cc(Cl)c1[O-] ZINC000459341804 1102864947 /nfs/dbraw/zinc/86/49/47/1102864947.db2.gz OLIBETZKOXWPIV-MRXNPFEDSA-N -1 3 353.871 4.079 20 0 FIADHM CCOc1cc(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(Cl)c1[O-] ZINC000459351005 1102886408 /nfs/dbraw/zinc/88/64/08/1102886408.db2.gz ZGLDPAZMKNGSDC-SJKOYZFVSA-N -1 3 367.898 4.468 20 0 FIADHM Cc1cc(CNCc2ccccc2CC(=O)[O-])ccc1Oc1cccnc1 ZINC000426681903 1102916716 /nfs/dbraw/zinc/91/67/16/1102916716.db2.gz ZVVPAKPIZGNAPH-UHFFFAOYSA-N -1 3 362.429 4.099 20 0 FIADHM CC[C@@H](C)CN(C)c1ccc(F)cc1CNCc1ccccc1CC(=O)[O-] ZINC000426680559 1102925474 /nfs/dbraw/zinc/92/54/74/1102925474.db2.gz OTTQKYPRKQQZLS-MRXNPFEDSA-N -1 3 372.484 4.225 20 0 FIADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC(C)C ZINC000426727091 1102938750 /nfs/dbraw/zinc/93/87/50/1102938750.db2.gz MNOPOENFKYUNSW-GOSISDBHSA-N -1 3 363.841 4.051 20 0 FIADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1OCC ZINC000426720727 1102939466 /nfs/dbraw/zinc/93/94/66/1102939466.db2.gz ORXRUZKSJZEMRE-HXUWFJFHSA-N -1 3 357.450 4.016 20 0 FIADHM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426723710 1102942216 /nfs/dbraw/zinc/94/22/16/1102942216.db2.gz NDWDINISEKIYFZ-QGZVFWFLSA-N -1 3 351.805 4.182 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Br)c(F)c1)c1cccc(Cl)c1 ZINC000426727168 1102943424 /nfs/dbraw/zinc/94/34/24/1102943424.db2.gz NEDZQWHYAOJXIN-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426729921 1102949606 /nfs/dbraw/zinc/94/96/06/1102949606.db2.gz HYAJBZCHQZZQKS-KRWDZBQOSA-N -1 3 351.805 4.182 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(F)c(Cl)c2)cc1 ZINC000426734641 1102953747 /nfs/dbraw/zinc/95/37/47/1102953747.db2.gz QPTRFKNXYQPHME-QGZVFWFLSA-N -1 3 351.805 4.183 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000426738543 1102956726 /nfs/dbraw/zinc/95/67/26/1102956726.db2.gz XBFUVVAUDPFPQW-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])C1CCC(C(F)(F)F)CC1 ZINC000519582792 1102959175 /nfs/dbraw/zinc/95/91/75/1102959175.db2.gz ZOBWRILIPJKEEV-UHFFFAOYSA-N -1 3 366.177 4.462 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cccc(Cl)c1 ZINC000426743476 1102960407 /nfs/dbraw/zinc/96/04/07/1102960407.db2.gz NUQWSCIPSURUSX-AWEZNQCLSA-N -1 3 359.731 4.154 20 0 FIADHM CCOc1cc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)ccc1OC ZINC000614838849 1102960663 /nfs/dbraw/zinc/96/06/63/1102960663.db2.gz QEIKRPMYSCVZDW-AWEZNQCLSA-N -1 3 363.479 4.408 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 ZINC000614842797 1102966186 /nfs/dbraw/zinc/96/61/86/1102966186.db2.gz SXDQOROBDWSRMA-HNNXBMFYSA-N -1 3 373.478 4.132 20 0 FIADHM Cc1ccc2[nH]c(CN[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cc2c1C ZINC000426756483 1102972238 /nfs/dbraw/zinc/97/22/38/1102972238.db2.gz KIZFAJVNMXZGDP-GOSISDBHSA-N -1 3 360.816 4.493 20 0 FIADHM Cc1cc(C)cc([C@H](NCc2csc(Br)c2)C(=O)[O-])c1 ZINC000426760248 1102974078 /nfs/dbraw/zinc/97/40/78/1102974078.db2.gz ZHVQUQILZMNYFD-AWEZNQCLSA-N -1 3 354.269 4.043 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)c(Br)c1)c1ccsc1 ZINC000426781982 1102983588 /nfs/dbraw/zinc/98/35/88/1102983588.db2.gz CTZYPLXGQXCCQH-GFCCVEGCSA-N -1 3 360.660 4.080 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)c(Cl)c2)c1 ZINC000426783841 1102983908 /nfs/dbraw/zinc/98/39/08/1102983908.db2.gz KNOZCPREPZEMGV-MRXNPFEDSA-N -1 3 354.233 4.308 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000426793380 1102995062 /nfs/dbraw/zinc/99/50/62/1102995062.db2.gz NCHVXYHRQJEYGO-CQSZACIVSA-N -1 3 354.631 4.018 20 0 FIADHM COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000426809822 1103004719 /nfs/dbraw/zinc/00/47/19/1103004719.db2.gz WQSCNDNLLXCEHY-FQEVSTJZSA-N -1 3 357.450 4.133 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1Cl ZINC000614863638 1103011053 /nfs/dbraw/zinc/01/10/53/1103011053.db2.gz OJAJYJNOSBICAJ-UHFFFAOYSA-N -1 3 369.870 4.247 20 0 FIADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1OC ZINC000426818760 1103013279 /nfs/dbraw/zinc/01/32/79/1103013279.db2.gz SQIPNJMMWAHIDL-GOSISDBHSA-N -1 3 357.450 4.133 20 0 FIADHM O=C([O-])C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)c1cccc(Cl)c1 ZINC000426818259 1103013535 /nfs/dbraw/zinc/01/35/35/1103013535.db2.gz RJSBNGDSEMMGBB-QGZVFWFLSA-N -1 3 355.825 4.036 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)c(Br)c1)c1cccs1 ZINC000426822084 1103016061 /nfs/dbraw/zinc/01/60/61/1103016061.db2.gz ZPGCTCCUSUZRED-GFCCVEGCSA-N -1 3 360.660 4.080 20 0 FIADHM CC(C)=CCC[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000454286827 1103024029 /nfs/dbraw/zinc/02/40/29/1103024029.db2.gz LTASRNPIJNTDLR-CQSZACIVSA-N -1 3 354.454 4.414 20 0 FIADHM COc1ccc([C@H](NCc2cccc(OC3CCCC3)c2)C(=O)[O-])cc1F ZINC000426828062 1103027196 /nfs/dbraw/zinc/02/71/96/1103027196.db2.gz XWLKPKGWUQGCBW-FQEVSTJZSA-N -1 3 373.424 4.071 20 0 FIADHM CSc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC000426834751 1103044048 /nfs/dbraw/zinc/04/40/48/1103044048.db2.gz OZWXBXBMBMFNHC-CYBMUJFWSA-N -1 3 372.309 4.148 20 0 FIADHM Brc1cccc(-c2nc(-c3noc(-c4ccsc4)n3)n[n-]2)c1 ZINC000551435445 1103217392 /nfs/dbraw/zinc/21/73/92/1103217392.db2.gz HMJUYTNAQDCFNB-UHFFFAOYSA-N -1 3 374.223 4.013 20 0 FIADHM O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1ccc(Cl)cc1[O-] ZINC000532836846 1103261326 /nfs/dbraw/zinc/26/13/26/1103261326.db2.gz FPCVUKAJYHRPQK-UHFFFAOYSA-N -1 3 368.820 4.201 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccnc(-c4ccccc4)c3)c[n-]c12 ZINC000532860963 1103284167 /nfs/dbraw/zinc/28/41/67/1103284167.db2.gz IYLPYIRQLXCVGM-UHFFFAOYSA-N -1 3 373.387 4.290 20 0 FIADHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000550286064 1103369884 /nfs/dbraw/zinc/36/98/84/1103369884.db2.gz CGPVBAWRDDTSFG-UHFFFAOYSA-N -1 3 362.882 4.160 20 0 FIADHM CN(Cc1c(F)ccc([O-])c1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507522910 1103467412 /nfs/dbraw/zinc/46/74/12/1103467412.db2.gz ABXPBVDORZGTEC-WBVHZDCISA-N -1 3 374.214 4.067 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CCCCC3(C)C)cc2)n1 ZINC000507722476 1103639696 /nfs/dbraw/zinc/63/96/96/1103639696.db2.gz CJGBYHYOEPOTGX-INIZCTEOSA-N -1 3 353.466 4.290 20 0 FIADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1c(Cl)cccc1Cl ZINC000025657277 1103675925 /nfs/dbraw/zinc/67/59/25/1103675925.db2.gz ZVQILCYHDPXHMU-UHFFFAOYSA-N -1 3 373.286 4.082 20 0 FIADHM CC[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCS1 ZINC000440649239 1103854488 /nfs/dbraw/zinc/85/44/88/1103854488.db2.gz LFJFLLFMMIASAU-SFHVURJKSA-N -1 3 355.503 4.145 20 0 FIADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1cccc(Cl)c1Cl ZINC000519889613 1103925801 /nfs/dbraw/zinc/92/58/01/1103925801.db2.gz AMYVILWNIVTUOR-UHFFFAOYSA-N -1 3 368.644 4.264 20 0 FIADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000533939786 1103966528 /nfs/dbraw/zinc/96/65/28/1103966528.db2.gz VVDSERBXEUUJHK-UHFFFAOYSA-N -1 3 365.405 4.425 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000441015480 1104076535 /nfs/dbraw/zinc/07/65/35/1104076535.db2.gz YWXJPNHUYAPCJI-PWSUYJOCSA-N -1 3 357.278 4.431 20 0 FIADHM [O-]C(=Cc1cccc2ccccc12)Nc1nc(-c2ccsc2)ns1 ZINC000520222493 1104188286 /nfs/dbraw/zinc/18/82/86/1104188286.db2.gz LZTRRGJZTZQNEM-UHFFFAOYSA-N -1 3 351.456 4.023 20 0 FIADHM COc1ccc2occ(C(=O)[N-]c3c(F)cc(C(C)=O)c(F)c3F)c2c1 ZINC000441273693 1104247977 /nfs/dbraw/zinc/24/79/77/1104247977.db2.gz ALNUHLJTHPNNTE-UHFFFAOYSA-N -1 3 363.291 4.314 20 0 FIADHM O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1c(Cl)cccc1Cl ZINC000520388430 1104317673 /nfs/dbraw/zinc/31/76/73/1104317673.db2.gz UXLSFGJABXXSDB-LBPRGKRZSA-N -1 3 356.274 4.002 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)sc1Cl ZINC000473901908 1104348093 /nfs/dbraw/zinc/34/80/93/1104348093.db2.gz JELGHLSRFLGWSX-LLVKDONJSA-N -1 3 359.925 4.225 20 0 FIADHM CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[O-] ZINC000120063418 1104361643 /nfs/dbraw/zinc/36/16/43/1104361643.db2.gz QHUQSEAMXAJNPV-UHFFFAOYSA-N -1 3 371.824 4.146 20 0 FIADHM CCN(C(=O)c1ccccc1[O-])[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000112821721 1104410865 /nfs/dbraw/zinc/41/08/65/1104410865.db2.gz FOZSHAHKVSOXAD-OAQYLSRUSA-N -1 3 364.420 4.486 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccsc1Cl ZINC000189382675 1104805674 /nfs/dbraw/zinc/80/56/74/1104805674.db2.gz KERCKDXSJDZKQM-UHFFFAOYSA-N -1 3 361.648 4.191 20 0 FIADHM CCCn1cc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC000417568254 1104984194 /nfs/dbraw/zinc/98/41/94/1104984194.db2.gz KDSFMQXUNGQYJR-INIZCTEOSA-N -1 3 370.280 4.296 20 0 FIADHM CC(C)(C)CC[C@@H](NCc1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000417640087 1105043034 /nfs/dbraw/zinc/04/30/34/1105043034.db2.gz VXTZEKUBWQHEFX-GFCCVEGCSA-N -1 3 351.340 4.093 20 0 FIADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000614621704 1105048753 /nfs/dbraw/zinc/04/87/53/1105048753.db2.gz CPGRUPLDDCIXEZ-KOLCDFICSA-N -1 3 360.262 4.188 20 0 FIADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000032098423 1105152571 /nfs/dbraw/zinc/15/25/71/1105152571.db2.gz RNMVDDWUQDOAPX-UHFFFAOYSA-N -1 3 359.369 4.339 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2(C)CCC2)cc1 ZINC000427693541 1105242673 /nfs/dbraw/zinc/24/26/73/1105242673.db2.gz AESCRFRTRRTUHD-UHFFFAOYSA-N -1 3 372.490 4.233 20 0 FIADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cncc(Cl)c3Cl)cc2s1 ZINC000427772406 1105272223 /nfs/dbraw/zinc/27/22/23/1105272223.db2.gz DRPZGJQCKVPPTI-UHFFFAOYSA-N -1 3 374.274 4.107 20 0 FIADHM O=C([O-])C[C@H]1CCCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000532880871 1106888742 /nfs/dbraw/zinc/88/87/42/1106888742.db2.gz BRUOGILMKRRFRP-CQSZACIVSA-N -1 3 361.388 4.444 20 0 FIADHM O=C([N-]CC1(Br)CC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001625942991 1106893897 /nfs/dbraw/zinc/89/38/97/1106893897.db2.gz XQTPLJKVMQZXEF-UHFFFAOYSA-N -1 3 373.024 4.129 20 0 FIADHM CCc1ccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c([O-])c1 ZINC000530325386 1106968537 /nfs/dbraw/zinc/96/85/37/1106968537.db2.gz SJIJBLUVDUDAGF-UHFFFAOYSA-N -1 3 365.473 4.307 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3c(F)cccc3OC)nc2)n1 ZINC000301476870 1107043358 /nfs/dbraw/zinc/04/33/58/1107043358.db2.gz WTIJFNFADLGJNG-GFCCVEGCSA-N -1 3 368.412 4.127 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccccc3C)nc2)n1 ZINC000301497335 1107048922 /nfs/dbraw/zinc/04/89/22/1107048922.db2.gz BSEFGMVIROYFBT-LJQANCHMSA-N -1 3 360.461 4.457 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3Cc4ccccc4C[C@@H]3CC)nc2)n1 ZINC000302197736 1107334395 /nfs/dbraw/zinc/33/43/95/1107334395.db2.gz FQYKAAAXXQHELT-IBGZPJMESA-N -1 3 360.461 4.148 20 0 FIADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000530885581 1107392923 /nfs/dbraw/zinc/39/29/23/1107392923.db2.gz LFRISYSSFNHHNU-AWEZNQCLSA-N -1 3 368.202 4.090 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCOc4c(C)cccc43)nc2)n1 ZINC000302691740 1107409621 /nfs/dbraw/zinc/40/96/21/1107409621.db2.gz RVHCUFIIDNECRC-QGZVFWFLSA-N -1 3 362.433 4.051 20 0 FIADHM Cn1cc(NC(=O)CCCc2ccc([O-])c(F)c2)c(C2CCCCC2)n1 ZINC000452269442 1107593572 /nfs/dbraw/zinc/59/35/72/1107593572.db2.gz CUYWZRHVRGSGCF-UHFFFAOYSA-N -1 3 359.445 4.274 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Br)s1 ZINC000023300027 1107786253 /nfs/dbraw/zinc/78/62/53/1107786253.db2.gz QYTUKDSHMIUOGV-UHFFFAOYSA-N -1 3 366.265 4.281 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000452581660 1107808968 /nfs/dbraw/zinc/80/89/68/1107808968.db2.gz CILIZUXDAXUJLT-SFHVURJKSA-N -1 3 351.780 4.134 20 0 FIADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000531492905 1107928473 /nfs/dbraw/zinc/92/84/73/1107928473.db2.gz XWXCDQAMWFPXSD-NSHDSACASA-N -1 3 364.239 4.296 20 0 FIADHM Cc1ccc2cccc(C(=O)Nc3cc(Br)ccc3[O-])c2n1 ZINC000531492707 1107928531 /nfs/dbraw/zinc/92/85/31/1107928531.db2.gz OFKISLDCKSDEIL-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM CCO[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C ZINC000452821544 1107960738 /nfs/dbraw/zinc/96/07/38/1107960738.db2.gz IVQVWMFLFVWIEG-QRWLVFNGSA-N -1 3 355.434 4.072 20 0 FIADHM Cc1cc(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)ccc1F ZINC000444742776 1108144183 /nfs/dbraw/zinc/14/41/83/1108144183.db2.gz XIARMRLMNCRLSM-UHFFFAOYSA-N -1 3 351.381 4.161 20 0 FIADHM CCSc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000531762711 1108149686 /nfs/dbraw/zinc/14/96/86/1108149686.db2.gz ZMRNZGIGETUSRV-UHFFFAOYSA-N -1 3 366.280 4.197 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(OCc2cccs2)c1 ZINC000523424397 1108210969 /nfs/dbraw/zinc/21/09/69/1108210969.db2.gz XQEGNLGEKURSLG-UHFFFAOYSA-N -1 3 357.406 4.102 20 0 FIADHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000523461532 1108237317 /nfs/dbraw/zinc/23/73/17/1108237317.db2.gz RMWHHCLJNCIPJQ-OAHLLOKOSA-N -1 3 374.456 4.139 20 0 FIADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1cccc(Cl)c1F ZINC000426754284 1108502848 /nfs/dbraw/zinc/50/28/48/1108502848.db2.gz PDCSYAUPBGBPCE-CQSZACIVSA-N -1 3 360.187 4.057 20 0 FIADHM CN(Cc1cccc(O)c1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000523781329 1108531571 /nfs/dbraw/zinc/53/15/71/1108531571.db2.gz BJIIPQGUCRVFCM-UHFFFAOYSA-N -1 3 361.441 4.155 20 0 FIADHM [O-]c1cncc(/C=C/c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)c1 ZINC000445229601 1108539262 /nfs/dbraw/zinc/53/92/62/1108539262.db2.gz CAQNPPDLMGKEQL-DAFODLJHSA-N -1 3 352.781 4.066 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1cccc(C(F)(F)F)c1 ZINC000016100684 1108677720 /nfs/dbraw/zinc/67/77/20/1108677720.db2.gz SJNLHUIOGIDWIA-UHFFFAOYSA-N -1 3 353.724 4.299 20 0 FIADHM [O-]c1ccc(-c2noc([C@H]3CCCN3Cc3ccccc3)n2)c(Cl)c1 ZINC000445449050 1108751155 /nfs/dbraw/zinc/75/11/55/1108751155.db2.gz NHIOSTFKFZORJA-QGZVFWFLSA-N -1 3 355.825 4.433 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(OC(F)F)cn2)no1 ZINC000445522004 1108842447 /nfs/dbraw/zinc/84/24/47/1108842447.db2.gz UHEPWLFLZKXTDU-UHFFFAOYSA-N -1 3 355.300 4.259 20 0 FIADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000508540097 1108960251 /nfs/dbraw/zinc/96/02/51/1108960251.db2.gz AMCNYOUFCWFJNK-UHFFFAOYSA-N -1 3 367.453 4.441 20 0 FIADHM O=C(NC1(c2ccc(Cl)cc2)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000524452869 1109029222 /nfs/dbraw/zinc/02/92/22/1109029222.db2.gz XEFUSBSESYIBNK-UHFFFAOYSA-N -1 3 366.848 4.381 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)c(C)c1 ZINC000524548950 1109064935 /nfs/dbraw/zinc/06/49/35/1109064935.db2.gz DIEXGQWRKYMEAK-UHFFFAOYSA-N -1 3 367.474 4.178 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc2ncccc2c1 ZINC000525017094 1109233160 /nfs/dbraw/zinc/23/31/60/1109233160.db2.gz FNGACIUGWRGAKD-UHFFFAOYSA-N -1 3 370.327 4.194 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)CCCC(C)C)cc2)cc(=O)[n-]1 ZINC000525266474 1109325158 /nfs/dbraw/zinc/32/51/58/1109325158.db2.gz SFWZIGGHOIVSFN-CQSZACIVSA-N -1 3 356.470 4.494 20 0 FIADHM C[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H](C)S1 ZINC000525773187 1109513535 /nfs/dbraw/zinc/51/35/35/1109513535.db2.gz SBWMASBZAJUGKP-HOTGVXAUSA-N -1 3 355.503 4.143 20 0 FIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(C3CCC3)c1)c2=O ZINC000428484892 1109541216 /nfs/dbraw/zinc/54/12/16/1109541216.db2.gz RHYJEVBZRFJDDE-UHFFFAOYSA-N -1 3 366.392 4.196 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2cc3ccc(F)cc3nc2C)[nH][n-]1 ZINC000527365334 1109750368 /nfs/dbraw/zinc/75/03/68/1109750368.db2.gz MJUOVWVYKUDISN-UHFFFAOYSA-N -1 3 360.392 4.055 20 0 FIADHM O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000527364567 1109750480 /nfs/dbraw/zinc/75/04/80/1109750480.db2.gz UHUYDHCJHYUEMH-QGZVFWFLSA-N -1 3 370.334 4.145 20 0 FIADHM COc1ccc(C(C)(C)NCc2cccc([O-])c2Br)cc1F ZINC000527780166 1109822470 /nfs/dbraw/zinc/82/24/70/1109822470.db2.gz DJLOYJCAACTUIJ-UHFFFAOYSA-N -1 3 368.246 4.327 20 0 FIADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450248671 1110270850 /nfs/dbraw/zinc/27/08/50/1110270850.db2.gz YEKOFTHPUBUANH-GFCCVEGCSA-N -1 3 350.459 4.182 20 0 FIADHM COc1cccc(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)c1[O-] ZINC000389914170 1110287668 /nfs/dbraw/zinc/28/76/68/1110287668.db2.gz CKTXNGWDCJMUSE-UHFFFAOYSA-N -1 3 351.189 4.348 20 0 FIADHM O=c1[n-]c(Sc2ccc(F)c(Cl)c2)nc2c1cnn2-c1ccccc1 ZINC000461461835 1111225052 /nfs/dbraw/zinc/22/50/52/1111225052.db2.gz WSQRSDVQCIMLMN-UHFFFAOYSA-N -1 3 372.812 4.465 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccsc2)c2ccc(Cl)cc2)o1 ZINC000539106894 1111425316 /nfs/dbraw/zinc/42/53/16/1111425316.db2.gz GSPPPXOLETVCOB-MRXNPFEDSA-N -1 3 367.879 4.371 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@]3(c4ccccc4)CC3(C)C)cc2)n1 ZINC000667199368 1111434654 /nfs/dbraw/zinc/43/46/54/1111434654.db2.gz KIGAPRKXZCNLFL-HSZRJFAPSA-N -1 3 373.456 4.052 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462049579 1111476820 /nfs/dbraw/zinc/47/68/20/1111476820.db2.gz YIYBGCXJGAAYFR-INIZCTEOSA-N -1 3 366.248 4.045 20 0 FIADHM O=C([N-]c1nc(-c2ccc(F)cc2)cs1)c1cc(-c2ccccn2)no1 ZINC000462107632 1111495810 /nfs/dbraw/zinc/49/58/10/1111495810.db2.gz XPXVMFLBWAJEJI-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM CCOC(=O)c1cc([N-]C(=O)c2cc(-c3cccs3)on2)c(F)cc1C ZINC000552692284 1111782791 /nfs/dbraw/zinc/78/27/91/1111782791.db2.gz OEYRDGHVGRBDAN-UHFFFAOYSA-N -1 3 374.393 4.280 20 0 FIADHM CC(=O)Nc1cc(C(=O)Nc2c([O-])cccc2Cl)cc(C(F)(F)F)c1 ZINC000552783262 1111811739 /nfs/dbraw/zinc/81/17/39/1111811739.db2.gz KXPJNYHPJQBDBB-UHFFFAOYSA-N -1 3 372.730 4.275 20 0 FIADHM Cc1ccccc1-n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C(C)C ZINC000478857483 1111900945 /nfs/dbraw/zinc/90/09/45/1111900945.db2.gz OFGXAVKIIYKXOM-UHFFFAOYSA-N -1 3 353.397 4.401 20 0 FIADHM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1 ZINC000553575578 1112013250 /nfs/dbraw/zinc/01/32/50/1112013250.db2.gz MUFVDVJJRGVVBD-UHFFFAOYSA-N -1 3 355.809 4.083 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000554416688 1112338156 /nfs/dbraw/zinc/33/81/56/1112338156.db2.gz GVFPFEILRHXPRI-OFAQMXQXSA-N -1 3 366.490 4.308 20 0 FIADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554524946 1112389524 /nfs/dbraw/zinc/38/95/24/1112389524.db2.gz YKLBRDVRQDXVJK-UONOGXRCSA-N -1 3 356.857 4.066 20 0 FIADHM O=c1[n-]c(CN2CCOc3c(Cl)cccc32)nc2c3ccccc3oc21 ZINC000567416702 1112442575 /nfs/dbraw/zinc/44/25/75/1112442575.db2.gz ZJDQPZSNVUOYOO-UHFFFAOYSA-N -1 3 367.792 4.134 20 0 FIADHM CC(C)(C)c1cnc(CCC(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000554836997 1112523366 /nfs/dbraw/zinc/52/33/66/1112523366.db2.gz HIIHQNIAADOWSN-UHFFFAOYSA-N -1 3 367.243 4.012 20 0 FIADHM C[C@H]1CCCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000481565308 1112979170 /nfs/dbraw/zinc/97/91/70/1112979170.db2.gz HTUCQRUPDFOBRD-ZDUSSCGKSA-N -1 3 371.481 4.413 20 0 FIADHM Cc1ccccc1O[C@H]1CCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142657131 1113099278 /nfs/dbraw/zinc/09/92/78/1113099278.db2.gz PMWDVAZYNZVICP-KRWDZBQOSA-N -1 3 359.853 4.390 20 0 FIADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000481851138 1113104828 /nfs/dbraw/zinc/10/48/28/1113104828.db2.gz ISCQJVAGVHAYDT-UHFFFAOYSA-N -1 3 364.348 4.494 20 0 FIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000481865291 1113111431 /nfs/dbraw/zinc/11/14/31/1113111431.db2.gz IQDRZIBNWJXGAZ-UHFFFAOYSA-N -1 3 374.506 4.187 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1Cl ZINC000481891213 1113126588 /nfs/dbraw/zinc/12/65/88/1113126588.db2.gz POGFJVUERLOYEA-UHFFFAOYSA-N -1 3 358.246 4.038 20 0 FIADHM Cc1cccc(F)c1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907230726 1113525568 /nfs/dbraw/zinc/52/55/68/1113525568.db2.gz XQFSJPVMYPDMSH-UHFFFAOYSA-N -1 3 351.403 4.190 20 0 FIADHM CC[C@@H]1CCCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486638901 1113609192 /nfs/dbraw/zinc/60/91/92/1113609192.db2.gz INZZTXWKKXFCNW-CYBMUJFWSA-N -1 3 355.276 4.019 20 0 FIADHM Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000488674065 1113973917 /nfs/dbraw/zinc/97/39/17/1113973917.db2.gz IGAAOZNEWCAQPK-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000150915786 1114169607 /nfs/dbraw/zinc/16/96/07/1114169607.db2.gz QTFPGBSFIIXYSX-OAHLLOKOSA-N -1 3 361.873 4.184 20 0 FIADHM COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000490550746 1114299408 /nfs/dbraw/zinc/29/94/08/1114299408.db2.gz ZNHZNCLDQGVNMP-QZTJIDSGSA-N -1 3 369.461 4.126 20 0 FIADHM O=C(OCc1csc(-c2cccs2)n1)c1cc(-c2ccco2)[n-]n1 ZINC000913299151 1114322199 /nfs/dbraw/zinc/32/21/99/1114322199.db2.gz GHIWJKWGZPDYBF-UHFFFAOYSA-N -1 3 357.416 4.212 20 0 FIADHM O=C(OCc1csc(-c2cccs2)n1)c1cc(-c2ccco2)n[n-]1 ZINC000913299151 1114322202 /nfs/dbraw/zinc/32/22/02/1114322202.db2.gz GHIWJKWGZPDYBF-UHFFFAOYSA-N -1 3 357.416 4.212 20 0 FIADHM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1cccc(F)c1Cl ZINC000571034527 1114425089 /nfs/dbraw/zinc/42/50/89/1114425089.db2.gz WTFSYUKGFRUKIS-UHFFFAOYSA-N -1 3 352.189 4.214 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=C(C)c3ccccc3)c2)n1 ZINC000055408058 1114471508 /nfs/dbraw/zinc/47/15/08/1114471508.db2.gz GMUCHDDSKGAZJZ-NTCAYCPXSA-N -1 3 359.429 4.041 20 0 FIADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2csc(C3CCCCC3)n2)C1 ZINC000572127434 1114611162 /nfs/dbraw/zinc/61/11/62/1114611162.db2.gz DNDDUWNZWXZHOC-NRFANRHFSA-N -1 3 370.518 4.419 20 0 FIADHM O=C([O-])[C@@H](c1ccsc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000572127454 1114611236 /nfs/dbraw/zinc/61/12/36/1114611236.db2.gz FFNJIWHGJUGSKV-MRXNPFEDSA-N -1 3 363.866 4.122 20 0 FIADHM CSc1nc(NC(=O)c2cccc(OCc3cccc(Cl)c3)c2)n[n-]1 ZINC000589691415 1114827985 /nfs/dbraw/zinc/82/79/85/1114827985.db2.gz KGFOZYHHLXAVJV-UHFFFAOYSA-N -1 3 374.853 4.011 20 0 FIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(-c2ccccc2)nn1 ZINC000591252409 1115039553 /nfs/dbraw/zinc/03/95/53/1115039553.db2.gz FFLCDVDMJBQSPK-UHFFFAOYSA-N -1 3 358.854 4.285 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnnc(-c2ccccc2)c1 ZINC000573172082 1115061604 /nfs/dbraw/zinc/06/16/04/1115061604.db2.gz IKCCONJBHSVXLJ-UHFFFAOYSA-N -1 3 359.307 4.120 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1cc(F)ccc1Cl ZINC000591392727 1115076946 /nfs/dbraw/zinc/07/69/46/1115076946.db2.gz XDTINPSWCHADLJ-KRWDZBQOSA-N -1 3 353.846 4.299 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@H]4CCC[C@@H]43)cc2)cc(=O)[n-]1 ZINC000574013833 1115230814 /nfs/dbraw/zinc/23/08/14/1115230814.db2.gz SSFUJMNDCIRAJP-WMZOPIPTSA-N -1 3 366.465 4.200 20 0 FIADHM C[C@@H](CSCCNCc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000592461520 1115234903 /nfs/dbraw/zinc/23/49/03/1115234903.db2.gz JXLJHUJFZNFTQA-ZDUSSCGKSA-N -1 3 371.930 4.205 20 0 FIADHM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000058495077 1115237839 /nfs/dbraw/zinc/23/78/39/1115237839.db2.gz UXXGBEZQABAMCY-MDZDMXLPSA-N -1 3 364.854 4.019 20 0 FIADHM O=C([N-]c1nc2n(n1)CCCC2)c1sc2cc(Cl)ccc2c1Cl ZINC000574134177 1115292165 /nfs/dbraw/zinc/29/21/65/1115292165.db2.gz RVECTWUVPAPCDM-UHFFFAOYSA-N -1 3 367.261 4.388 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCC4)[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000574699622 1115439762 /nfs/dbraw/zinc/43/97/62/1115439762.db2.gz WBWJYIRDCFZVIK-IBGZPJMESA-N -1 3 366.465 4.200 20 0 FIADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1csc(-c2ccoc2)n1 ZINC000594861768 1115486667 /nfs/dbraw/zinc/48/66/67/1115486667.db2.gz ZDWYVDKTGMYFFJ-UHFFFAOYSA-N -1 3 370.821 4.121 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@@H](C)c2ccccc2F)[nH][n-]1 ZINC000596315053 1115583697 /nfs/dbraw/zinc/58/36/97/1115583697.db2.gz AZYCJKFBHHWZHT-NSHDSACASA-N -1 3 373.815 4.042 20 0 FIADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1ccc(Br)cc1[O-] ZINC000601467309 1115642301 /nfs/dbraw/zinc/64/23/01/1115642301.db2.gz ROHUUAXXWDQYLA-LBPRGKRZSA-N -1 3 360.251 4.288 20 0 FIADHM C[C@@H]1COCC[C@H]1c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000669609287 1115660749 /nfs/dbraw/zinc/66/07/49/1115660749.db2.gz LKUWNQMEIBNWHO-RHSMWYFYSA-N -1 3 366.417 4.161 20 0 FIADHM Cc1cccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)c1[O-] ZINC000598212457 1115712347 /nfs/dbraw/zinc/71/23/47/1115712347.db2.gz UMWOJRUKXFGKMY-INIZCTEOSA-N -1 3 367.445 4.176 20 0 FIADHM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2F)c1 ZINC000605496257 1115904502 /nfs/dbraw/zinc/90/45/02/1115904502.db2.gz QWQGMFSQJIQPGW-UHFFFAOYSA-N -1 3 373.453 4.046 20 0 FIADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000230406351 1115926930 /nfs/dbraw/zinc/92/69/30/1115926930.db2.gz BMYRHIPAFXBGAF-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1cccc(C(F)(F)F)c1 ZINC000606365049 1115938770 /nfs/dbraw/zinc/93/87/70/1115938770.db2.gz ISXKHLXHOQCFFZ-JTQLQIEISA-N -1 3 364.327 4.216 20 0 FIADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000606419023 1115941881 /nfs/dbraw/zinc/94/18/81/1115941881.db2.gz JGGVNCWGPGHXIH-KSFYIVLOSA-N -1 3 360.457 4.450 20 0 FIADHM O=C(CSc1cc(Cl)ccc1Cl)NCc1ccc([O-])c(F)c1 ZINC000606537346 1115953839 /nfs/dbraw/zinc/95/38/39/1115953839.db2.gz FMFZLYTZIVHPNU-UHFFFAOYSA-N -1 3 360.237 4.247 20 0 FIADHM O=C(COc1ccc(Oc2ccccc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000606536913 1115953888 /nfs/dbraw/zinc/95/38/88/1115953888.db2.gz ZTRZOSJWOJBTRG-UHFFFAOYSA-N -1 3 367.376 4.019 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000606536637 1115953895 /nfs/dbraw/zinc/95/38/95/1115953895.db2.gz JGKIYSSVCUHCKA-UHFFFAOYSA-N -1 3 353.180 4.249 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc(-c2ccccc2Cl)s1 ZINC000606536759 1115953930 /nfs/dbraw/zinc/95/39/30/1115953930.db2.gz BUYROKMQUBYXOO-UHFFFAOYSA-N -1 3 362.813 4.238 20 0 FIADHM CC(C)CN(CCc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606714649 1115965492 /nfs/dbraw/zinc/96/54/92/1115965492.db2.gz SZBJQLKVKRSMIV-UHFFFAOYSA-N -1 3 362.420 4.081 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)Cc2c[nH]c3ccc(Cl)cc23)[nH][n-]1 ZINC000606931189 1115985488 /nfs/dbraw/zinc/98/54/88/1115985488.db2.gz MQCDNQPPWVPCDE-UHFFFAOYSA-N -1 3 364.836 4.123 20 0 FIADHM Cc1nn(C)c2ncc(NC(=O)c3cc(Oc4ccccc4)ccc3[O-])cc12 ZINC000607052913 1115992128 /nfs/dbraw/zinc/99/21/28/1115992128.db2.gz PRGZTNHRHVMBQI-UHFFFAOYSA-N -1 3 374.400 4.027 20 0 FIADHM O=C(CCc1ccc(Cl)s1)Nc1cc(Br)ccc1[O-] ZINC000533965733 1116056354 /nfs/dbraw/zinc/05/63/54/1116056354.db2.gz RJBZQJVCECVKNG-UHFFFAOYSA-N -1 3 360.660 4.441 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c(C)c1 ZINC000607882194 1116072975 /nfs/dbraw/zinc/07/29/75/1116072975.db2.gz ZXCGPVGPXMJLFA-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM O=C([N-]c1ncc(-c2ccccc2)s1)c1noc(-c2cccc(F)c2)n1 ZINC000608002742 1116077903 /nfs/dbraw/zinc/07/79/03/1116077903.db2.gz WUHMYQFCZLSHIE-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@@]3(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000608283060 1116096341 /nfs/dbraw/zinc/09/63/41/1116096341.db2.gz AOKWBGOFPMFXNT-UGKGYDQZSA-N -1 3 374.444 4.009 20 0 FIADHM O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(Cl)cc1[O-] ZINC000533972478 1116097611 /nfs/dbraw/zinc/09/76/11/1116097611.db2.gz FSUVHKCOVXFWRT-UHFFFAOYSA-N -1 3 362.760 4.190 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(C)c1 ZINC000608343124 1116100553 /nfs/dbraw/zinc/10/05/53/1116100553.db2.gz QAWPAENQLMRNAK-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM O=C(OCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc([O-])cc1 ZINC000063895533 1116122485 /nfs/dbraw/zinc/12/24/85/1116122485.db2.gz XADYKIFLQGNKTK-UHFFFAOYSA-N -1 3 365.172 4.106 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2cccc(C)c2)c1 ZINC000534359253 1116190700 /nfs/dbraw/zinc/19/07/00/1116190700.db2.gz LBBUOMXJJQTDTG-HXUWFJFHSA-N -1 3 366.461 4.417 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC3(CC2)OCCc2ccccc23)c([O-])c1 ZINC000457148404 1116249726 /nfs/dbraw/zinc/24/97/26/1116249726.db2.gz ZSSRNIWDIAVNSS-UHFFFAOYSA-N -1 3 365.473 4.220 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CC(C(C)(C)C)C3)c2)n1 ZINC000457445483 1116276739 /nfs/dbraw/zinc/27/67/39/1116276739.db2.gz CCQSYBPWJOESSZ-UHFFFAOYSA-N -1 3 353.466 4.422 20 0 FIADHM COc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3[O-])c(C)[nH]2)c1 ZINC000535204739 1116281005 /nfs/dbraw/zinc/28/10/05/1116281005.db2.gz FDIKUBIFJSTMIX-UHFFFAOYSA-N -1 3 357.797 4.005 20 0 FIADHM CC(C)(C)n1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1C(F)(F)F ZINC000535432236 1116306348 /nfs/dbraw/zinc/30/63/48/1116306348.db2.gz NSIMQUFKYHYAJO-UHFFFAOYSA-N -1 3 361.751 4.268 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2cnc(-c3ccncc3)s2)c1F ZINC000535485300 1116312539 /nfs/dbraw/zinc/31/25/39/1116312539.db2.gz MFBUAIVWUIEPPM-UHFFFAOYSA-N -1 3 361.373 4.134 20 0 FIADHM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000540209291 1117945116 /nfs/dbraw/zinc/94/51/16/1117945116.db2.gz KFRSPDSODPNAOS-UHFFFAOYSA-N -1 3 372.446 4.238 20 0 FIADHM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1c(F)cccc1F ZINC000463171433 1118004273 /nfs/dbraw/zinc/00/42/73/1118004273.db2.gz NCZKZFQDWFNSEM-UHFFFAOYSA-N -1 3 369.158 4.309 20 0 FIADHM CCC[C@H](NCc1nc(CC)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000540360755 1118013899 /nfs/dbraw/zinc/01/38/99/1118013899.db2.gz AOAVDFWUIWBARC-HNNXBMFYSA-N -1 3 353.388 4.394 20 0 FIADHM Cc1cc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)ccc1Br ZINC000463216298 1118020151 /nfs/dbraw/zinc/02/01/51/1118020151.db2.gz UHIKLUSUXVUJIV-UHFFFAOYSA-N -1 3 351.150 4.352 20 0 FIADHM CS[C@@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)(C)C ZINC000541263193 1118444697 /nfs/dbraw/zinc/44/46/97/1118444697.db2.gz YOPKSHCJYUMKJU-INIZCTEOSA-N -1 3 374.510 4.057 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[C@@H](C)[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000541787106 1118646110 /nfs/dbraw/zinc/64/61/10/1118646110.db2.gz HPEJVCLGZKGOFB-PBFPGSCMSA-N -1 3 354.454 4.104 20 0 FIADHM CCc1c([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)cnn1CCC(C)C ZINC000491599091 1118967616 /nfs/dbraw/zinc/96/76/16/1118967616.db2.gz NURCIOUICSXPPK-MRXNPFEDSA-N -1 3 363.527 4.037 20 0 FIADHM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913806211 1119009178 /nfs/dbraw/zinc/00/91/78/1119009178.db2.gz KDCRODUPZLEDSO-MRXNPFEDSA-N -1 3 371.868 4.121 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2cnc(-c3ccc(OC)cc3)s2)s1 ZINC000173732124 1119066461 /nfs/dbraw/zinc/06/64/61/1119066461.db2.gz DQVRZSCTGNWTJO-UHFFFAOYSA-N -1 3 374.491 4.265 20 0 FIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(Cc2cccs2)nn1 ZINC000173836676 1119074977 /nfs/dbraw/zinc/07/49/77/1119074977.db2.gz JHBSTJQFILHSLG-UHFFFAOYSA-N -1 3 364.883 4.016 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c(C)c1 ZINC000177017678 1119308040 /nfs/dbraw/zinc/30/80/40/1119308040.db2.gz MVUKKVBECHBPLE-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM C[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1(F)F ZINC000494235836 1119801521 /nfs/dbraw/zinc/80/15/21/1119801521.db2.gz ZFSWUZXXRPMFRK-SNVBAGLBSA-N -1 3 365.405 4.134 20 0 FIADHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(F)cc(F)c2Br)on1 ZINC000189065639 1119829174 /nfs/dbraw/zinc/82/91/74/1119829174.db2.gz NIDUUGIEUBHMDX-ZETCQYMHSA-N -1 3 359.170 4.481 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1cccc(Cl)c1Cl ZINC000195638923 1120200277 /nfs/dbraw/zinc/20/02/77/1120200277.db2.gz RSKPYSQVRJOGMJ-CYBMUJFWSA-N -1 3 360.237 4.098 20 0 FIADHM CCCOc1ccc(-c2nc(C(=O)[N-]c3nnc(C)s3)cs2)cc1 ZINC000194710179 1120296646 /nfs/dbraw/zinc/29/66/46/1120296646.db2.gz KAJCRMNVZUOXFE-UHFFFAOYSA-N -1 3 360.464 4.011 20 0 FIADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C1 ZINC000542516532 1120336203 /nfs/dbraw/zinc/33/62/03/1120336203.db2.gz NAFDBFPBQDBCEN-INIZCTEOSA-N -1 3 358.507 4.300 20 0 FIADHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccccc1OCC(F)F ZINC000761908538 1120574445 /nfs/dbraw/zinc/57/44/45/1120574445.db2.gz OAXXCZHHYYSERT-MDZDMXLPSA-N -1 3 373.808 4.397 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc4ccsc4[nH]3)nc(=O)c2c1C ZINC000914892415 1120629845 /nfs/dbraw/zinc/62/98/45/1120629845.db2.gz ZRKFJMBFYXTNOE-MRVPVSSYSA-N -1 3 373.459 4.475 20 0 FIADHM CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1OC(F)F ZINC000053482462 1120654157 /nfs/dbraw/zinc/65/41/57/1120654157.db2.gz QJZMXHHHJYGLJS-CQSZACIVSA-N -1 3 372.371 4.011 20 0 FIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)cc1Cl ZINC000303260439 1120742856 /nfs/dbraw/zinc/74/28/56/1120742856.db2.gz HPTFJGYUMZQAFP-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3cccc(N4CCOC4=O)c3)no2)c([O-])c1 ZINC000762198567 1120778571 /nfs/dbraw/zinc/77/85/71/1120778571.db2.gz XFQBEWXSUYFUSL-UHFFFAOYSA-N -1 3 365.389 4.189 20 0 FIADHM O=C1OCCN1c1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000762197259 1120784489 /nfs/dbraw/zinc/78/44/89/1120784489.db2.gz MDETWXBIRJIYIZ-UHFFFAOYSA-N -1 3 373.368 4.219 20 0 FIADHM Cc1nc(C)c(Cc2nc(-c3ccc(SC(C)(C)C)cc3)no2)c(=O)[n-]1 ZINC000762351009 1120881069 /nfs/dbraw/zinc/88/10/69/1120881069.db2.gz HRQJXTYXHSXTNW-UHFFFAOYSA-N -1 3 370.478 4.330 20 0 FIADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)c1C1CC1 ZINC000762476101 1120914404 /nfs/dbraw/zinc/91/44/04/1120914404.db2.gz NBJNPRVGEGYYJG-AYJWMTRPSA-N -1 3 359.495 4.453 20 0 FIADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)c1C1CC1 ZINC000762476103 1120914569 /nfs/dbraw/zinc/91/45/69/1120914569.db2.gz NBJNPRVGEGYYJG-RUMSDORHSA-N -1 3 359.495 4.453 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2)cc1 ZINC000032631078 1121112319 /nfs/dbraw/zinc/11/23/19/1121112319.db2.gz YSZXNZCDXIFBDK-HNNXBMFYSA-N -1 3 363.479 4.026 20 0 FIADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1noc(-c2ccccc2)n1 ZINC000784659645 1121162954 /nfs/dbraw/zinc/16/29/54/1121162954.db2.gz UDCRHJJWUJMLKW-QMMMGPOBSA-N -1 3 352.177 4.290 20 0 FIADHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)n(-c2ccc(F)cc2)n1 ZINC000471943826 1121176164 /nfs/dbraw/zinc/17/61/64/1121176164.db2.gz OQVWNDITLSNQIS-UHFFFAOYSA-N -1 3 361.376 4.431 20 0 FIADHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1F ZINC000044029222 1121214831 /nfs/dbraw/zinc/21/48/31/1121214831.db2.gz JATTYTIOZQNZFH-GFCCVEGCSA-N -1 3 366.421 4.101 20 0 FIADHM Cc1csc(Sc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cc2)n1 ZINC000763266253 1121310910 /nfs/dbraw/zinc/31/09/10/1121310910.db2.gz PQBRQAAOEVXGQN-CQSZACIVSA-N -1 3 365.480 4.182 20 0 FIADHM Cc1csc(Sc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cc2)n1 ZINC000763266253 1121310918 /nfs/dbraw/zinc/31/09/18/1121310918.db2.gz PQBRQAAOEVXGQN-CQSZACIVSA-N -1 3 365.480 4.182 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)N[C@@H]3CCCC[C@H]3C)c2)n1 ZINC000916021850 1121380691 /nfs/dbraw/zinc/38/06/91/1121380691.db2.gz HNWPFODVPPQECX-CXAGYDPISA-N -1 3 370.522 4.277 20 0 FIADHM Cc1ccc([C@@H]2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2(C)C)cc1 ZINC000916043015 1121390297 /nfs/dbraw/zinc/39/02/97/1121390297.db2.gz RGGWQFAGLMNASM-SFHVURJKSA-N -1 3 360.457 4.245 20 0 FIADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1nc2ccccc2n1C(F)F ZINC000916044568 1121391321 /nfs/dbraw/zinc/39/13/21/1121391321.db2.gz INWBFNZWSRNVNP-LLVKDONJSA-N -1 3 365.330 4.401 20 0 FIADHM O=[S@](Cc1nc(-c2c(F)cccc2F)cs1)c1ccc([O-])cc1 ZINC000123415221 1121512159 /nfs/dbraw/zinc/51/21/59/1121512159.db2.gz OIDVHTWLGKRJQK-QHCPKHFHSA-N -1 3 351.399 4.102 20 0 FIADHM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000916567071 1121551981 /nfs/dbraw/zinc/55/19/81/1121551981.db2.gz ZYRVWPASMHAWNZ-UHFFFAOYSA-N -1 3 357.475 4.419 20 0 FIADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1C ZINC000063181291 1121665157 /nfs/dbraw/zinc/66/51/57/1121665157.db2.gz PZNOOSQJKAOJPB-UHFFFAOYSA-N -1 3 374.506 4.460 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc4ccccc4c3)nc2)n1 ZINC000068692649 1121840559 /nfs/dbraw/zinc/84/05/59/1121840559.db2.gz CDZCECAQZPVMND-UHFFFAOYSA-N -1 3 356.429 4.160 20 0 FIADHM CCc1oc2ccccc2c1CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000069900230 1121883297 /nfs/dbraw/zinc/88/32/97/1121883297.db2.gz BABHEWPVCPKPNT-UHFFFAOYSA-N -1 3 360.413 4.109 20 0 FIADHM O=C(Oc1cccc(I)c1)c1cc2ccsc2[n-]1 ZINC000916856234 1121891913 /nfs/dbraw/zinc/89/19/13/1121891913.db2.gz PZMFGLJNDYUAEW-UHFFFAOYSA-N -1 3 369.183 4.053 20 0 FIADHM CC[C@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC[C@@H]1c1ccccc1 ZINC000126678277 1121976008 /nfs/dbraw/zinc/97/60/08/1121976008.db2.gz GKNCSMBXNSMRHP-YJBOKZPZSA-N -1 3 369.461 4.065 20 0 FIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC000624428467 1121984270 /nfs/dbraw/zinc/98/42/70/1121984270.db2.gz LKYVWRHLYKVEIF-UHFFFAOYSA-N -1 3 366.461 4.133 20 0 FIADHM Cn1c(C(=O)Nc2cccc([O-])c2F)cc2cc(C(F)(F)F)ccc21 ZINC000128356444 1122257370 /nfs/dbraw/zinc/25/73/70/1122257370.db2.gz DBHDSSOVDHQYPK-UHFFFAOYSA-N -1 3 352.287 4.294 20 0 FIADHM COc1cc(C(=O)N[C@H]2CCCc3ccc(C(C)C)cc32)cc(OC)c1[O-] ZINC000497587326 1122298715 /nfs/dbraw/zinc/29/87/15/1122298715.db2.gz MSRBEMSMPDLLDG-SFHVURJKSA-N -1 3 369.461 4.340 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c(C)c1O ZINC000917744739 1122424304 /nfs/dbraw/zinc/42/43/04/1122424304.db2.gz WLKJHDZNHPFLPH-UHFFFAOYSA-N -1 3 361.463 4.131 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000128823109 1122424415 /nfs/dbraw/zinc/42/44/15/1122424415.db2.gz SNCGAWIABNAOIG-VXGBXAGGSA-N -1 3 350.187 4.036 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)c(C)c1 ZINC000917746767 1122425791 /nfs/dbraw/zinc/42/57/91/1122425791.db2.gz MTDKILZDGSPBPU-UHFFFAOYSA-N -1 3 350.459 4.088 20 0 FIADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC000129145823 1122545830 /nfs/dbraw/zinc/54/58/30/1122545830.db2.gz KLMYDHDJDADQBK-NSHDSACASA-N -1 3 366.230 4.104 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)o1 ZINC000556191771 1122723841 /nfs/dbraw/zinc/72/38/41/1122723841.db2.gz PEMKUISTUHHKKM-UHFFFAOYSA-N -1 3 356.451 4.323 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1F ZINC000071795406 1122931932 /nfs/dbraw/zinc/93/19/32/1122931932.db2.gz JSFHNRAXRUZKCH-MRXNPFEDSA-N -1 3 357.809 4.048 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2F)c(Br)c1 ZINC000130931524 1122954464 /nfs/dbraw/zinc/95/44/64/1122954464.db2.gz QVHRCAQXWZGODV-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000919708174 1123103491 /nfs/dbraw/zinc/10/34/91/1123103491.db2.gz DQQYUEDZOMPIJM-UHFFFAOYSA-N -1 3 374.362 4.209 20 0 FIADHM Cc1ccc(-c2ccsc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000072728894 1123135725 /nfs/dbraw/zinc/13/57/25/1123135725.db2.gz AYSGUXXGCKCEBK-UHFFFAOYSA-N -1 3 361.430 4.156 20 0 FIADHM Cc1ccc(-c2ccsc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000072728894 1123135728 /nfs/dbraw/zinc/13/57/28/1123135728.db2.gz AYSGUXXGCKCEBK-UHFFFAOYSA-N -1 3 361.430 4.156 20 0 FIADHM CCc1nc2ccccc2n1C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000556867742 1123142131 /nfs/dbraw/zinc/14/21/31/1123142131.db2.gz WNAICQVNZSZMJS-UHFFFAOYSA-N -1 3 371.431 4.420 20 0 FIADHM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556891592 1123177121 /nfs/dbraw/zinc/17/71/21/1123177121.db2.gz DWNRECYGYPKBCB-HNNXBMFYSA-N -1 3 353.418 4.052 20 0 FIADHM COc1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc(OC)c1[O-] ZINC000131898101 1123198458 /nfs/dbraw/zinc/19/84/58/1123198458.db2.gz NGUYCBHREHZTJW-UHFFFAOYSA-N -1 3 366.295 4.145 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cscc1Br ZINC000556935604 1123248508 /nfs/dbraw/zinc/24/85/08/1123248508.db2.gz JAIMPVGUSJBCRG-UHFFFAOYSA-N -1 3 366.158 4.487 20 0 FIADHM O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000132792043 1123361285 /nfs/dbraw/zinc/36/12/85/1123361285.db2.gz SNGUQSINGMFITE-UHFFFAOYSA-N -1 3 369.408 4.471 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)CC3CCCC3)c2)n1 ZINC000074483009 1123367701 /nfs/dbraw/zinc/36/77/01/1123367701.db2.gz KGZCGKZYOPXGJB-AWEZNQCLSA-N -1 3 353.466 4.154 20 0 FIADHM CC/C=C(\C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000920343396 1123442222 /nfs/dbraw/zinc/44/22/22/1123442222.db2.gz WYJXJXCTACUNOV-FRKPEAEDSA-N -1 3 372.490 4.399 20 0 FIADHM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134167509 1123599223 /nfs/dbraw/zinc/59/92/23/1123599223.db2.gz RHSHITSZFBIZSI-UHFFFAOYSA-N -1 3 373.277 4.291 20 0 FIADHM C[C@@H](SCc1ccon1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000077411497 1123675939 /nfs/dbraw/zinc/67/59/39/1123675939.db2.gz FFGJMJCAGYFOGD-SECBINFHSA-N -1 3 359.432 4.227 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(NC(=O)c2ccc(C)cc2[O-])n[nH]1 ZINC000078771969 1123809383 /nfs/dbraw/zinc/80/93/83/1123809383.db2.gz RREBXJYTBXCEDG-UHFFFAOYSA-N -1 3 357.797 4.005 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000080147914 1123954153 /nfs/dbraw/zinc/95/41/53/1123954153.db2.gz ATGIOMRMHQTVSX-LJQANCHMSA-N -1 3 354.425 4.283 20 0 FIADHM O=S(=O)([N-]Cc1csc2ccccc12)c1cccc(Cl)c1F ZINC000615245525 1123961361 /nfs/dbraw/zinc/96/13/61/1123961361.db2.gz BNUQKWMNRYRCOM-UHFFFAOYSA-N -1 3 355.843 4.172 20 0 FIADHM CN(CCC1CCOCC1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000137718312 1123981958 /nfs/dbraw/zinc/98/19/58/1123981958.db2.gz LBMRTKGDXUFHBK-UHFFFAOYSA-N -1 3 367.489 4.066 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000616285198 1124278328 /nfs/dbraw/zinc/27/83/28/1124278328.db2.gz PAKAGOJFYHNPJN-LJQANCHMSA-N -1 3 369.486 4.108 20 0 FIADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616327808 1124288826 /nfs/dbraw/zinc/28/88/26/1124288826.db2.gz CCJUZKXBQZEXEE-UTKZUKDTSA-N -1 3 360.457 4.327 20 0 FIADHM CCC(CC)n1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000181099710 1124540805 /nfs/dbraw/zinc/54/08/05/1124540805.db2.gz TZPXDMTVSOGPKZ-MRXNPFEDSA-N -1 3 372.856 4.167 20 0 FIADHM COc1cc(Br)c(N[C@@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000186495156 1124723607 /nfs/dbraw/zinc/72/36/07/1124723607.db2.gz SPOWKLYUOJUXLG-VIFPVBQESA-N -1 3 370.218 4.484 20 0 FIADHM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000620877590 1124814885 /nfs/dbraw/zinc/81/48/85/1124814885.db2.gz YSVLQCVRKKTVLU-UHFFFAOYSA-N -1 3 374.506 4.059 20 0 FIADHM Cc1cc2ccccc2[nH]c1=N[N-]C(=O)c1c(F)cccc1Br ZINC000181316777 1124855552 /nfs/dbraw/zinc/85/55/52/1124855552.db2.gz MSXBBPGVACJYDK-UHFFFAOYSA-N -1 3 374.213 4.202 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(Cl)c(Br)c1 ZINC000250902772 1124964597 /nfs/dbraw/zinc/96/45/97/1124964597.db2.gz TXMFXGFWVQMSIZ-GLQYFDAESA-N -1 3 372.690 4.320 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)cc(C)cc3C)c2)n1 ZINC000090226062 1124990547 /nfs/dbraw/zinc/99/05/47/1124990547.db2.gz HYZDBKIJLVQMBF-UHFFFAOYSA-N -1 3 361.445 4.177 20 0 FIADHM Cc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3)s2)o1 ZINC000181516125 1124994854 /nfs/dbraw/zinc/99/48/54/1124994854.db2.gz YSTSJCFLVBCUHX-CQSZACIVSA-N -1 3 350.399 4.278 20 0 FIADHM C[C@H]1CC(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@H](C)C1 ZINC001212450210 1125065191 /nfs/dbraw/zinc/06/51/91/1125065191.db2.gz LNRRRJDJAVIWIL-ZIAGYGMSSA-N -1 3 364.536 4.161 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc2ncccc2o1 ZINC001128206951 1125073506 /nfs/dbraw/zinc/07/35/06/1125073506.db2.gz REJZWUJZPMNCIF-UHFFFAOYSA-N -1 3 370.821 4.176 20 0 FIADHM O=C([N-]C1(Cc2cccc(F)c2)CCC1)C(F)(F)c1cc(F)cc(F)c1 ZINC001128296453 1125223607 /nfs/dbraw/zinc/22/36/07/1125223607.db2.gz QEYDLLZTMWQEPT-UHFFFAOYSA-N -1 3 369.333 4.477 20 0 FIADHM Cn1nc(Nc2cc(F)cc(F)c2[O-])c2ccc(Br)cc21 ZINC001212478073 1125282818 /nfs/dbraw/zinc/28/28/18/1125282818.db2.gz STYXJANLDKTGEB-UHFFFAOYSA-N -1 3 354.154 4.063 20 0 FIADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000005570029 207106861 /nfs/dbraw/zinc/10/68/61/207106861.db2.gz ODOAWEXVNFRSES-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000005867431 207120567 /nfs/dbraw/zinc/12/05/67/207120567.db2.gz MLAMYFZXZUDVBL-UHFFFAOYSA-N -1 3 354.475 4.487 20 0 FIADHM C[C@@H]1C[C@H](C)CN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)C1 ZINC000007503609 207197001 /nfs/dbraw/zinc/19/70/01/207197001.db2.gz QWLSCQCYWQGTJK-OKILXGFUSA-N -1 3 353.491 4.130 20 0 FIADHM CSC1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000602923559 568017819 /nfs/dbraw/zinc/01/78/19/568017819.db2.gz RFHWJSALBWYLHL-UHFFFAOYSA-N -1 3 371.531 4.391 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000008108683 568054744 /nfs/dbraw/zinc/05/47/44/568054744.db2.gz QJLVBKMXAYYZPY-UHFFFAOYSA-N -1 3 359.447 4.091 20 0 FIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1Cl ZINC000303298351 568265267 /nfs/dbraw/zinc/26/52/67/568265267.db2.gz PMDVVPWPDYOUGA-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000303415949 568271147 /nfs/dbraw/zinc/27/11/47/568271147.db2.gz BHHSSDQXHLUSPK-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM COC(=O)c1cc([N-]C(=O)c2cc3cc(Cl)ccc3o2)c(F)cc1F ZINC000031028955 568321729 /nfs/dbraw/zinc/32/17/29/568321729.db2.gz NNLLQTQIMYKCST-UHFFFAOYSA-N -1 3 365.719 4.403 20 0 FIADHM Cc1nc([C@H]2CCOC2)sc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000637082137 568349899 /nfs/dbraw/zinc/34/98/99/568349899.db2.gz SBDHGMRNXIHHGN-QMMMGPOBSA-N -1 3 358.797 4.139 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)Cc2cccc(Br)c2)c1[O-] ZINC000604901994 568385125 /nfs/dbraw/zinc/38/51/25/568385125.db2.gz QGWUEQPZYBBETO-UHFFFAOYSA-N -1 3 354.631 4.298 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1[O-] ZINC000604902187 568385127 /nfs/dbraw/zinc/38/51/27/568385127.db2.gz STJXVUQWTJAYCD-UHFFFAOYSA-N -1 3 357.837 4.444 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(C)c1C ZINC000604972068 568464648 /nfs/dbraw/zinc/46/46/48/568464648.db2.gz SIJFUZJRUVAADY-UHFFFAOYSA-N -1 3 373.478 4.043 20 0 FIADHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1cccc(Cl)c1 ZINC000182729517 1125607765 /nfs/dbraw/zinc/60/77/65/1125607765.db2.gz LTWLVEWDCOTOMG-OAHLLOKOSA-N -1 3 368.886 4.283 20 0 FIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(Cc2ccc(C)cc2)n1 ZINC000152902438 1125678764 /nfs/dbraw/zinc/67/87/64/1125678764.db2.gz HRLKVTXPWFLQAN-UHFFFAOYSA-N -1 3 353.447 4.468 20 0 FIADHM Clc1cc(-c2nc(-c3ccc(Br)cc3Cl)no2)[n-]n1 ZINC001213500704 1079592679 /nfs/dbraw/zinc/59/26/79/1079592679.db2.gz PEDBUHCRROOMOE-UHFFFAOYSA-N -1 3 359.998 4.196 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2cc(Br)c(F)cc2C)cc1[O-] ZINC001139891331 1079630437 /nfs/dbraw/zinc/63/04/37/1079630437.db2.gz DCZSYGXXKNQFAU-UHFFFAOYSA-N -1 3 366.186 4.057 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000683171232 1079803574 /nfs/dbraw/zinc/80/35/74/1079803574.db2.gz HITVBHGGKGRPIP-MRXNPFEDSA-N -1 3 371.330 4.159 20 0 FIADHM COc1ccc(Oc2ccc(CNCc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000683176114 1079817750 /nfs/dbraw/zinc/81/77/50/1079817750.db2.gz HILUEUUCJJZKSF-UHFFFAOYSA-N -1 3 363.413 4.476 20 0 FIADHM C[C@@H](CCO)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000610207458 1079945669 /nfs/dbraw/zinc/94/56/69/1079945669.db2.gz PKCLBEOWRZTFIZ-UWVGGRQHSA-N -1 3 350.465 4.222 20 0 FIADHM C[C@H](CCO)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000610207457 1079945892 /nfs/dbraw/zinc/94/58/92/1079945892.db2.gz PKCLBEOWRZTFIZ-NXEZZACHSA-N -1 3 350.465 4.222 20 0 FIADHM CCOC[C@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622692862 1079983251 /nfs/dbraw/zinc/98/32/51/1079983251.db2.gz PFJFSUHCMMKSDG-LJQANCHMSA-N -1 3 353.462 4.014 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(OCc2ccccn2)cc1 ZINC000153631647 1080692562 /nfs/dbraw/zinc/69/25/62/1080692562.db2.gz ABAHLEQRIYOREA-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000067139167 1080740401 /nfs/dbraw/zinc/74/04/01/1080740401.db2.gz OSRWRSLRGREVDT-JTQLQIEISA-N -1 3 364.854 4.123 20 0 FIADHM COc1cccc([C@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])N(C)C)c1 ZINC000022769147 1080744880 /nfs/dbraw/zinc/74/48/80/1080744880.db2.gz ZNUYVCXZUHWXIP-GVLJNOETSA-N -1 3 367.276 4.429 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)sc1C ZINC000683546350 1081066398 /nfs/dbraw/zinc/06/63/98/1081066398.db2.gz HWQAQUZIZKQVGN-UHFFFAOYSA-N -1 3 350.856 4.184 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cc(C)ccc3OC)nc2)n1 ZINC000413394209 1081232641 /nfs/dbraw/zinc/23/26/41/1081232641.db2.gz ASDDJHRKPNPRIY-AWEZNQCLSA-N -1 3 364.449 4.297 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2OC)c([O-])c1 ZINC001648840495 1081282838 /nfs/dbraw/zinc/28/28/38/1081282838.db2.gz WROYEEPNVWIQPK-OAHLLOKOSA-N -1 3 357.450 4.379 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000471499543 1081497454 /nfs/dbraw/zinc/49/74/54/1081497454.db2.gz LQIIZEUUXRUWIB-LJQANCHMSA-N -1 3 367.836 4.029 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]3c3cccc(Cl)c3)nc2)n1 ZINC000580150286 1081718706 /nfs/dbraw/zinc/71/87/06/1081718706.db2.gz TUIRBBSSBFGNLJ-DLBZAZTESA-N -1 3 366.852 4.428 20 0 FIADHM O=C(C/C=C\c1ccccc1F)NCc1ccc([O-])c(Br)c1 ZINC000255305527 1081799263 /nfs/dbraw/zinc/79/92/63/1081799263.db2.gz TVEJMXAEWUKKES-HYXAFXHYSA-N -1 3 364.214 4.014 20 0 FIADHM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc2N1 ZINC000071081805 1081878080 /nfs/dbraw/zinc/87/80/80/1081878080.db2.gz BDJSPOGWDCGOET-UHFFFAOYSA-N -1 3 370.474 4.030 20 0 FIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000548089589 1081916956 /nfs/dbraw/zinc/91/69/56/1081916956.db2.gz UBHNTOQWFLAVED-UHFFFAOYSA-N -1 3 372.425 4.154 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc3c(ccc(C)c3C)[nH]2)c1 ZINC000426766411 1081961144 /nfs/dbraw/zinc/96/11/44/1081961144.db2.gz DGZSRWMKLORTLC-HXUWFJFHSA-N -1 3 352.434 4.099 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)c1 ZINC000122891057 1082019199 /nfs/dbraw/zinc/01/91/99/1082019199.db2.gz OEWWMAWHKZUVHB-FQEVSTJZSA-N -1 3 366.461 4.335 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COC[C@H]4CCCO4)nc(=O)c23)cc1 ZINC000656491048 1082478973 /nfs/dbraw/zinc/47/89/73/1082478973.db2.gz PNDHBOUODARAJA-CQSZACIVSA-N -1 3 356.447 4.068 20 0 FIADHM Cc1c(-c2ccccc2)sc2[n-]c(COC[C@@H]3CCCO3)nc(=O)c12 ZINC000656491838 1082480641 /nfs/dbraw/zinc/48/06/41/1082480641.db2.gz RAJLJBYRTHKMJG-AWEZNQCLSA-N -1 3 356.447 4.068 20 0 FIADHM CCn1cc(CN[C@H](c2cc(Cl)cc(Cl)c2)C(C)(C)C(=O)[O-])cn1 ZINC000656569611 1082595174 /nfs/dbraw/zinc/59/51/74/1082595174.db2.gz DBZDYMJNVGONHC-OAHLLOKOSA-N -1 3 370.280 4.152 20 0 FIADHM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc([O-])c2ccccc2c1 ZINC000684288693 1082629096 /nfs/dbraw/zinc/62/90/96/1082629096.db2.gz WPADRZWQTSJBJY-UHFFFAOYSA-N -1 3 352.459 4.153 20 0 FIADHM CC(C)C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nc2ccccc2[nH]1 ZINC000581576812 1082675009 /nfs/dbraw/zinc/67/50/09/1082675009.db2.gz YEKLBUBXKINSMM-KRWDZBQOSA-N -1 3 357.841 4.439 20 0 FIADHM O=C(NCc1ccccc1-c1ccc(Cl)cc1)NCc1ncccc1[O-] ZINC000471809393 1083023651 /nfs/dbraw/zinc/02/36/51/1083023651.db2.gz KYPBFOODELCWKR-UHFFFAOYSA-N -1 3 367.836 4.107 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000430860836 1083210884 /nfs/dbraw/zinc/21/08/84/1083210884.db2.gz DBAMDGGXTGQVSM-PKOBYXMFSA-N -1 3 350.393 4.040 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000092263207 1083368738 /nfs/dbraw/zinc/36/87/38/1083368738.db2.gz XRRJSYXTBKSMOY-LBPRGKRZSA-N -1 3 367.389 4.168 20 0 FIADHM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccc(F)cc1C(F)(F)F ZINC000177170256 1083708359 /nfs/dbraw/zinc/70/83/59/1083708359.db2.gz KDNMLKRIPYCHDZ-BQYQJAHWSA-N -1 3 363.307 4.396 20 0 FIADHM CC(C)(C)c1noc(CSc2nnc([N-]c3ccccc3F)s2)n1 ZINC000024044437 1083820306 /nfs/dbraw/zinc/82/03/06/1083820306.db2.gz QONCYYUJRRIFLL-UHFFFAOYSA-N -1 3 365.459 4.394 20 0 FIADHM O=c1nc(CSCc2nccs2)[n-]c2scc(-c3ccco3)c21 ZINC000161615120 1084180826 /nfs/dbraw/zinc/18/08/26/1084180826.db2.gz NJZMBJMRHDAXAB-UHFFFAOYSA-N -1 3 361.473 4.135 20 0 FIADHM COc1ccc([C@H](NCc2cc([O-])cc(F)c2)c2ccccc2OC)cc1 ZINC000472076500 1084246974 /nfs/dbraw/zinc/24/69/74/1084246974.db2.gz CUZYENLHNHBDMJ-QFIPXVFZSA-N -1 3 367.420 4.428 20 0 FIADHM [O-]c1cccc(CNC2(c3ccccc3F)CCC2)c1Br ZINC000647237159 1084356269 /nfs/dbraw/zinc/35/62/69/1084356269.db2.gz FVLYPGQCWBTYKA-UHFFFAOYSA-N -1 3 350.231 4.463 20 0 FIADHM O=C([O-])[C@H]1CCCCCC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000277387625 1084368841 /nfs/dbraw/zinc/36/88/41/1084368841.db2.gz RFGXWCYWWWZTFB-ROUUACIJSA-N -1 3 374.506 4.235 20 0 FIADHM C[C@H](Oc1ccccc1)c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000582092385 1084602964 /nfs/dbraw/zinc/60/29/64/1084602964.db2.gz OWAZKVCKHVECKB-JTQLQIEISA-N -1 3 361.760 4.254 20 0 FIADHM CC(C)(C)Oc1c(F)cc([N-]C(=O)c2ncoc2C(F)(F)F)cc1F ZINC000613406076 1084696813 /nfs/dbraw/zinc/69/68/13/1084696813.db2.gz CTFUMSQYDJUXDG-UHFFFAOYSA-N -1 3 364.270 4.401 20 0 FIADHM Cc1cnccc1[N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000174005118 1084719274 /nfs/dbraw/zinc/71/92/74/1084719274.db2.gz LXIWWOVZDXVIGF-UHFFFAOYSA-N -1 3 361.492 4.098 20 0 FIADHM [O-]c1cccc(CN[C@H](c2nccs2)C(F)(F)F)c1Br ZINC000628373287 1084730254 /nfs/dbraw/zinc/73/02/54/1084730254.db2.gz UOXLSWRHVQLFDJ-SNVBAGLBSA-N -1 3 367.190 4.004 20 0 FIADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(Cl)c2ccccc21 ZINC000472197821 1084780955 /nfs/dbraw/zinc/78/09/55/1084780955.db2.gz ZUBJLZMTVUMGKA-GFCCVEGCSA-N -1 3 355.825 4.154 20 0 FIADHM C[C@@H](SCC(=O)Nc1c([O-])cccc1Cl)c1nc2ccccc2[nH]1 ZINC000582329980 1084876190 /nfs/dbraw/zinc/87/61/90/1084876190.db2.gz UYUIZZDBGAZTPZ-SNVBAGLBSA-N -1 3 361.854 4.355 20 0 FIADHM COc1ccc(-c2nc(C(=O)[N-]c3c(F)cc(F)cc3F)cs2)cc1 ZINC000175302265 1084923104 /nfs/dbraw/zinc/92/31/04/1084923104.db2.gz GFHOWFUUHCXXRQ-UHFFFAOYSA-N -1 3 364.348 4.488 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1OC(C)C ZINC000511121123 1084994108 /nfs/dbraw/zinc/99/41/08/1084994108.db2.gz MQDCPBFVYLGNOR-UHFFFAOYSA-N -1 3 363.479 4.370 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000582490864 1085066388 /nfs/dbraw/zinc/06/63/88/1085066388.db2.gz QEDPWVBTSHBWTB-INIZCTEOSA-N -1 3 357.498 4.403 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1cccc(C(F)F)c1 ZINC000780376464 1085200045 /nfs/dbraw/zinc/20/00/45/1085200045.db2.gz AQQSBJIOOXZLJV-UHFFFAOYSA-N -1 3 370.396 4.164 20 0 FIADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(OC[C@H]2CCCO2)c1 ZINC000277760636 1085293004 /nfs/dbraw/zinc/29/30/04/1085293004.db2.gz SDUUGDWLVRAJSP-CQSZACIVSA-N -1 3 361.825 4.164 20 0 FIADHM CCc1cccc(C(=O)N2CCC(F)(c3cccc(OC)c3)CC2)c1[O-] ZINC000684989109 1085421218 /nfs/dbraw/zinc/42/12/18/1085421218.db2.gz FINRVPMGJOTANG-UHFFFAOYSA-N -1 3 357.425 4.064 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c([O-])c1 ZINC000075161280 1085514097 /nfs/dbraw/zinc/51/40/97/1085514097.db2.gz XXPMLEXCPHPTFB-GOSISDBHSA-N -1 3 353.462 4.195 20 0 FIADHM COc1ccc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c([O-])c1 ZINC000077281263 1085600375 /nfs/dbraw/zinc/60/03/75/1085600375.db2.gz VPGFJUXCQXASEN-UHFFFAOYSA-N -1 3 365.433 4.021 20 0 FIADHM CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000582850872 1085833915 /nfs/dbraw/zinc/83/39/15/1085833915.db2.gz DTYDWDONVOEZNO-KGLIPLIRSA-N -1 3 372.328 4.253 20 0 FIADHM Cc1cc([C@@H](C)N2CCC(OCCc3ccccc3)CC2)oc1C(=O)[O-] ZINC000652398765 1085994232 /nfs/dbraw/zinc/99/42/32/1085994232.db2.gz ZXKRIOKUCDYIJP-MRXNPFEDSA-N -1 3 357.450 4.071 20 0 FIADHM C[C@H](CN(C)Cc1c(Br)cccc1C(=O)[O-])c1ccccc1 ZINC000652409072 1086010109 /nfs/dbraw/zinc/01/01/09/1086010109.db2.gz CDYFUKHAMDDUQT-CYBMUJFWSA-N -1 3 362.267 4.383 20 0 FIADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000652512854 1086142831 /nfs/dbraw/zinc/14/28/31/1086142831.db2.gz QKWPRWAYZQYWKS-UFYCRDLUSA-N -1 3 355.409 4.019 20 0 FIADHM [O-]c1c(F)cc(Nc2cc(-c3cccc(Br)n3)no2)cc1F ZINC001213377195 1086171894 /nfs/dbraw/zinc/17/18/94/1086171894.db2.gz BWRWXMFOJYFHFG-UHFFFAOYSA-N -1 3 368.137 4.227 20 0 FIADHM Cc1ccc(-c2nc(CNCCc3cccc(C(=O)[O-])c3)cs2)cc1 ZINC000426697450 1086187384 /nfs/dbraw/zinc/18/73/84/1086187384.db2.gz TVVQPAPOBBHJPB-UHFFFAOYSA-N -1 3 352.459 4.149 20 0 FIADHM COc1cc(Cl)c(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)cc1Cl ZINC000663260974 1086344491 /nfs/dbraw/zinc/34/44/91/1086344491.db2.gz FVMISXJBEMOUCF-SECBINFHSA-N -1 3 374.186 4.135 20 0 FIADHM CCN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCC(C(=O)[O-])CC1 ZINC000569623428 1086388985 /nfs/dbraw/zinc/38/89/85/1086388985.db2.gz QTPHCNGOKMETPC-UHFFFAOYSA-N -1 3 362.857 4.460 20 0 FIADHM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188357688 1086658007 /nfs/dbraw/zinc/65/80/07/1086658007.db2.gz YJTGGBJXGYQCIH-UHFFFAOYSA-N -1 3 361.423 4.147 20 0 FIADHM [O-]c1ccc(F)c(CNCc2csc(CCc3ccccc3)n2)c1F ZINC000512127728 1086796639 /nfs/dbraw/zinc/79/66/39/1086796639.db2.gz BZDCXIXMCJFZFX-UHFFFAOYSA-N -1 3 360.429 4.202 20 0 FIADHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)cc1 ZINC000525670200 1086990711 /nfs/dbraw/zinc/99/07/11/1086990711.db2.gz DNQGWUNJYPVARZ-UHFFFAOYSA-N -1 3 374.506 4.059 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000583865063 1086999274 /nfs/dbraw/zinc/99/92/74/1086999274.db2.gz YVEOUPJESPHGBC-GOSISDBHSA-N -1 3 354.454 4.056 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccccc1)C1CCCCC1 ZINC000583881136 1087010363 /nfs/dbraw/zinc/01/03/63/1087010363.db2.gz SMKHMRAYSLGZHG-UHFFFAOYSA-N -1 3 351.450 4.035 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c1Cl ZINC000536156197 1087020633 /nfs/dbraw/zinc/02/06/33/1087020633.db2.gz WQFJUXRMISCQCE-HNNXBMFYSA-N -1 3 371.289 4.126 20 0 FIADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000545187448 1087121960 /nfs/dbraw/zinc/12/19/60/1087121960.db2.gz CLWPDLDEMNJIQJ-UHFFFAOYSA-N -1 3 369.433 4.256 20 0 FIADHM C[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1cccc(F)c1 ZINC000151594883 1087167441 /nfs/dbraw/zinc/16/74/41/1087167441.db2.gz YNOZUGRSSUMVDQ-LLVKDONJSA-N -1 3 366.230 4.104 20 0 FIADHM Cc1cc2c(ncnc2NCc2ccc([O-])c(Br)c2)s1 ZINC000090113145 1087408936 /nfs/dbraw/zinc/40/89/36/1087408936.db2.gz HSRQWJQMQDLAJE-UHFFFAOYSA-N -1 3 350.241 4.080 20 0 FIADHM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000093970980 1087459844 /nfs/dbraw/zinc/45/98/44/1087459844.db2.gz QSNDMZLZHZKPDG-UHFFFAOYSA-N -1 3 368.433 4.015 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000472347418 1087661235 /nfs/dbraw/zinc/66/12/35/1087661235.db2.gz YDOOHVGOKPBCEW-CQSZACIVSA-N -1 3 363.435 4.006 20 0 FIADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc2ccccc21 ZINC000176580357 1088004923 /nfs/dbraw/zinc/00/49/23/1088004923.db2.gz QZIDYFJOMVPASU-UHFFFAOYSA-N -1 3 370.449 4.380 20 0 FIADHM O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cc(F)cc2n[n-]nc21 ZINC000505135177 1088173638 /nfs/dbraw/zinc/17/36/38/1088173638.db2.gz RUFLLHUMKLFXPS-UHFFFAOYSA-N -1 3 374.803 4.182 20 0 FIADHM CCSc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000505312400 1088345898 /nfs/dbraw/zinc/34/58/98/1088345898.db2.gz QIDOOWHFZDQCMO-UHFFFAOYSA-N -1 3 351.493 4.225 20 0 FIADHM Cc1nc2cc(Br)cc([N-]C(=O)c3cc(C(C)C)no3)c2o1 ZINC001269745826 1088360050 /nfs/dbraw/zinc/36/00/50/1088360050.db2.gz SHTHJXJZVATAKF-UHFFFAOYSA-N -1 3 364.199 4.262 20 0 FIADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000623018759 1088485152 /nfs/dbraw/zinc/48/51/52/1088485152.db2.gz UZCGIMHXPHWPPC-AWEZNQCLSA-N -1 3 362.351 4.040 20 0 FIADHM Cc1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000031376371 1088486240 /nfs/dbraw/zinc/48/62/40/1088486240.db2.gz HRFYSNHDOSELEG-UWVGGRQHSA-N -1 3 369.305 4.340 20 0 FIADHM O=C(Cc1ccsc1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589166913 1088558501 /nfs/dbraw/zinc/55/85/01/1088558501.db2.gz LKCOZTUOLJAPRD-UHFFFAOYSA-N -1 3 352.246 4.048 20 0 FIADHM CCn1nc(C)c(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1C ZINC000179622836 1088756931 /nfs/dbraw/zinc/75/69/31/1088756931.db2.gz GRLTWPZVGNJXFT-UHFFFAOYSA-N -1 3 351.406 4.270 20 0 FIADHM COc1cc(Cl)ccc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647460 1088764285 /nfs/dbraw/zinc/76/42/85/1088764285.db2.gz QLZIICGFNAALHQ-UHFFFAOYSA-N -1 3 363.200 4.477 20 0 FIADHM O=C([N-]NC(=O)c1cccc(Cl)c1)c1sccc1-c1ccccc1 ZINC000017246907 1088772083 /nfs/dbraw/zinc/77/20/83/1088772083.db2.gz LKNPIHREFDCETK-UHFFFAOYSA-N -1 3 356.834 4.143 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000514143484 1088816857 /nfs/dbraw/zinc/81/68/57/1088816857.db2.gz GRPJOYCSJLGACI-UHFFFAOYSA-N -1 3 351.855 4.028 20 0 FIADHM CN(CC1(c2ccccc2)CC1)[C@H](C(=O)[O-])c1ccccc1Br ZINC000659787442 1088858712 /nfs/dbraw/zinc/85/87/12/1088858712.db2.gz KPMCJNLTAMTONC-KRWDZBQOSA-N -1 3 374.278 4.238 20 0 FIADHM O=C([O-])[C@]12CN(Cc3ccc(Cl)cc3Br)C[C@H]1CCCC2 ZINC000659799851 1088883461 /nfs/dbraw/zinc/88/34/61/1088883461.db2.gz OFLJBYFMOKQKLS-MLGOLLRUSA-N -1 3 372.690 4.179 20 0 FIADHM O=C([N-]c1c2nsnc2ccc1Cl)c1ncc(Cl)cc1Cl ZINC001126430400 1089155178 /nfs/dbraw/zinc/15/51/78/1089155178.db2.gz LRDKLGYNGNLBJM-UHFFFAOYSA-N -1 3 359.625 4.299 20 0 FIADHM O=C(Nc1ccccc1OCc1cscn1)c1cc([O-])ccc1Cl ZINC000549974392 1089209735 /nfs/dbraw/zinc/20/97/35/1089209735.db2.gz LWBOPXZICQTUAR-UHFFFAOYSA-N -1 3 360.822 4.333 20 0 FIADHM CN(CCCOc1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000514608533 1089262937 /nfs/dbraw/zinc/26/29/37/1089262937.db2.gz UZWYEJRNTRFURW-QGZVFWFLSA-N -1 3 351.805 4.006 20 0 FIADHM Cc1cc(=NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)[n-]o1 ZINC000514836719 1089529264 /nfs/dbraw/zinc/52/92/64/1089529264.db2.gz WALQTJODSFQFQC-UHFFFAOYSA-N -1 3 372.837 4.019 20 0 FIADHM Cc1cccc(CSCC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000515078250 1089757682 /nfs/dbraw/zinc/75/76/82/1089757682.db2.gz FHVWTXSMDYJIBB-UHFFFAOYSA-N -1 3 366.280 4.335 20 0 FIADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)c([O-])c1 ZINC000515096283 1089778075 /nfs/dbraw/zinc/77/80/75/1089778075.db2.gz ZOLJGBMZTQGYPU-MRXNPFEDSA-N -1 3 362.429 4.166 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ncoc1-c1ccccc1 ZINC000085590909 1089797392 /nfs/dbraw/zinc/79/73/92/1089797392.db2.gz CVSXRFIFYMNPKS-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM Cc1cc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)ns1 ZINC000435663277 1089825299 /nfs/dbraw/zinc/82/52/99/1089825299.db2.gz IFQYJDMRUVRYIO-UHFFFAOYSA-N -1 3 352.371 4.274 20 0 FIADHM O=C([N-]c1cc(Br)c(F)cc1F)c1c(F)ccc(F)c1F ZINC000188149741 1090187023 /nfs/dbraw/zinc/18/70/23/1090187023.db2.gz UZCZUEMIUWEALO-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM COc1cccc(SC)c1[N-]C(=O)c1sc([C@@H]2CCCO2)nc1C ZINC000416125103 1090205795 /nfs/dbraw/zinc/20/57/95/1090205795.db2.gz VKZXYFSUNRIYJN-LBPRGKRZSA-N -1 3 364.492 4.286 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c(C)c1C ZINC000522694637 1090258747 /nfs/dbraw/zinc/25/87/47/1090258747.db2.gz SAOOVBKZPVSYEK-UHFFFAOYSA-N -1 3 363.479 4.038 20 0 FIADHM CCN(Cc1ccccc1Cl)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000042157236 1090406894 /nfs/dbraw/zinc/40/68/94/1090406894.db2.gz GFCPXTMQYYBVJM-UHFFFAOYSA-N -1 3 367.836 4.345 20 0 FIADHM CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CC(F)(F)F ZINC000660200213 1090847666 /nfs/dbraw/zinc/84/76/66/1090847666.db2.gz QFUUMGBBTHHXNS-UHFFFAOYSA-N -1 3 369.352 4.024 20 0 FIADHM CCOc1ccc(N(CC)C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000584796805 1090902948 /nfs/dbraw/zinc/90/29/48/1090902948.db2.gz MXEWDLPAXFSBDT-UHFFFAOYSA-N -1 3 368.408 4.041 20 0 FIADHM CCc1oc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)cc1C ZINC000162421765 1090908901 /nfs/dbraw/zinc/90/89/01/1090908901.db2.gz OTVYXTXIQWRHPB-INIZCTEOSA-N -1 3 352.434 4.236 20 0 FIADHM CC(C)(C)c1cnc(CNC[C@@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000417542351 1090918290 /nfs/dbraw/zinc/91/82/90/1090918290.db2.gz DQUKRHGGNWBMFE-CYBMUJFWSA-N -1 3 366.914 4.127 20 0 FIADHM COc1cccc(Cl)c1CNC[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000417549666 1090922262 /nfs/dbraw/zinc/92/22/62/1090922262.db2.gz UJOGYZGKPXIRNU-ZDUSSCGKSA-N -1 3 368.260 4.035 20 0 FIADHM Cc1sccc1CN[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000417556678 1090924568 /nfs/dbraw/zinc/92/45/68/1090924568.db2.gz PLSZYLVMIIGYLW-AWEZNQCLSA-N -1 3 354.269 4.125 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnc(-c3ccco3)s2)cc1 ZINC000417572896 1090927107 /nfs/dbraw/zinc/92/71/07/1090927107.db2.gz GYQCKZGNKHADAG-INIZCTEOSA-N -1 3 372.446 4.107 20 0 FIADHM CCCCOc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000417618506 1090940972 /nfs/dbraw/zinc/94/09/72/1090940972.db2.gz JSNBGGMBWWUNBO-OALUTQOASA-N -1 3 369.461 4.277 20 0 FIADHM O=C([O-])[C@@H]1C[C@H](NCc2ccccc2OCC(F)(F)F)c2ccccc21 ZINC000417621261 1090942095 /nfs/dbraw/zinc/94/20/95/1090942095.db2.gz HDESWMIKKOBURY-CVEARBPZSA-N -1 3 365.351 4.031 20 0 FIADHM CCCc1csc(CN[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])n1 ZINC000417623758 1090942770 /nfs/dbraw/zinc/94/27/70/1090942770.db2.gz PRFJKYLZFLSXHL-AWEZNQCLSA-N -1 3 373.305 4.188 20 0 FIADHM C[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H](C)C(=O)[O-] ZINC000417613779 1090943229 /nfs/dbraw/zinc/94/32/29/1090943229.db2.gz QSVPTWYSHJBQPQ-UWVGGRQHSA-N -1 3 358.385 4.028 20 0 FIADHM COc1cccc(C[C@H](CNCc2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000417649992 1090950084 /nfs/dbraw/zinc/95/00/84/1090950084.db2.gz MMSUZCWASWKFJG-CYBMUJFWSA-N -1 3 368.260 4.035 20 0 FIADHM COc1cc(C)c(Br)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000500157172 1091072667 /nfs/dbraw/zinc/07/26/67/1091072667.db2.gz ZCKUQZMYPPUMIQ-UHFFFAOYSA-N -1 3 370.630 4.377 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ncccc3C)nc(=O)c2c1C ZINC000759801155 1091131315 /nfs/dbraw/zinc/13/13/15/1091131315.db2.gz UZRUEYDSWRWFSS-KRZKBDHCSA-N -1 3 369.446 4.035 20 0 FIADHM O=C([N-]c1cc(F)c(Br)cc1F)c1nc(Cl)ccc1F ZINC000759911008 1091497235 /nfs/dbraw/zinc/49/72/35/1091497235.db2.gz MFXKNIHFMKJFGB-UHFFFAOYSA-N -1 3 365.536 4.167 20 0 FIADHM CCO[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000626227850 1091689681 /nfs/dbraw/zinc/68/96/81/1091689681.db2.gz KDCGBMKJHXIILU-GOSISDBHSA-N -1 3 368.458 4.423 20 0 FIADHM CO[C@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCCC1 ZINC001167876197 1091921015 /nfs/dbraw/zinc/92/10/15/1091921015.db2.gz HPLYFGJUINLUOF-JOCHJYFZSA-N -1 3 367.489 4.112 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CCCC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000512235583 1091945011 /nfs/dbraw/zinc/94/50/11/1091945011.db2.gz YAJKWSKVQZCSJN-GOEBONIOSA-N -1 3 368.481 4.496 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)[nH][n-]1 ZINC000512342974 1092086634 /nfs/dbraw/zinc/08/66/34/1092086634.db2.gz NKGHCIPELKPKFO-STQMWFEESA-N -1 3 351.372 4.114 20 0 FIADHM O=c1ccnc(C(=Cc2cccc(OC(F)(F)F)c2)Cc2ccccc2)[n-]1 ZINC000432692873 1092108859 /nfs/dbraw/zinc/10/88/59/1092108859.db2.gz GJPUXMIEMWVNEU-VBKFSLOCSA-N -1 3 372.346 4.452 20 0 FIADHM Cc1ccc(-c2nc(C(=O)[N-]c3nc4ccc(Cl)cn4n3)cs2)cc1 ZINC000508301923 1092228025 /nfs/dbraw/zinc/22/80/25/1092228025.db2.gz RSNBSJYCYAJTKO-UHFFFAOYSA-N -1 3 369.837 4.067 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cnc(-c4ccco4)s3)[nH][n-]2)c1 ZINC000508336825 1092254193 /nfs/dbraw/zinc/25/41/93/1092254193.db2.gz BIGJNASGBSJDPS-UHFFFAOYSA-N -1 3 364.430 4.084 20 0 FIADHM O=C([N-]c1nc2c(ccc(F)c2F)s1)c1c(F)c(F)cc(F)c1F ZINC000500626809 1092302310 /nfs/dbraw/zinc/30/23/10/1092302310.db2.gz ZYEKXXGWYFOJJL-UHFFFAOYSA-N -1 3 362.254 4.383 20 0 FIADHM COc1ccccc1C(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000521208300 1092571271 /nfs/dbraw/zinc/57/12/71/1092571271.db2.gz LOMIXZVSWJNPSV-UHFFFAOYSA-N -1 3 364.239 4.080 20 0 FIADHM O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000521270850 1092613290 /nfs/dbraw/zinc/61/32/90/1092613290.db2.gz VXQXFPUNEAFRKT-GOEBONIOSA-N -1 3 371.868 4.169 20 0 FIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000521285682 1092617395 /nfs/dbraw/zinc/61/73/95/1092617395.db2.gz IFMFVAQACNAILY-UHFFFAOYSA-N -1 3 365.437 4.195 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(OCC(F)F)cn2)no1 ZINC000442675851 1092716855 /nfs/dbraw/zinc/71/68/55/1092716855.db2.gz GBIHQXPSOGGIQM-UHFFFAOYSA-N -1 3 369.327 4.301 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1OCC ZINC000007927917 1092814543 /nfs/dbraw/zinc/81/45/43/1092814543.db2.gz JTIXDZFLWXXVHQ-UHFFFAOYSA-N -1 3 373.833 4.077 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1cc(Cl)ccc1Cl ZINC000521668808 1092854744 /nfs/dbraw/zinc/85/47/44/1092854744.db2.gz YDKVPIOQVFUCQJ-CQSZACIVSA-N -1 3 360.237 4.098 20 0 FIADHM O=C(Cc1nc(=O)c2c3ccccc3sc2[n-]1)Nc1ccc(Cl)cc1 ZINC000614114882 1092947763 /nfs/dbraw/zinc/94/77/63/1092947763.db2.gz DDZDLVSQZHWRFP-UHFFFAOYSA-N -1 3 369.833 4.385 20 0 FIADHM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000332900953 1092954623 /nfs/dbraw/zinc/95/46/23/1092954623.db2.gz NZDCRRQWRVKELM-WMLDXEAASA-N -1 3 354.454 4.248 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc(-c3ccsc3)s2)[nH][n-]1 ZINC000522135881 1093112017 /nfs/dbraw/zinc/11/20/17/1093112017.db2.gz UVNUOLLDWWJNPK-UHFFFAOYSA-N -1 3 366.471 4.244 20 0 FIADHM Cc1nc(C)c(-c2csc(NC(=O)c3cc([O-])ccc3Cl)n2)s1 ZINC000550490827 1093180116 /nfs/dbraw/zinc/18/01/16/1093180116.db2.gz GIJRMHQQJVJXGS-UHFFFAOYSA-N -1 3 365.867 4.495 20 0 FIADHM O=C([O-])CCC1CCN(Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000665343703 1093215530 /nfs/dbraw/zinc/21/55/30/1093215530.db2.gz QXBMIZSJXRQIQO-UHFFFAOYSA-N -1 3 350.890 4.017 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4sccc4s3)cc2)n1 ZINC000522259353 1093249011 /nfs/dbraw/zinc/24/90/11/1093249011.db2.gz GVQZAGJMMTZYQW-UHFFFAOYSA-N -1 3 367.455 4.274 20 0 FIADHM CCCCOc1cccc(F)c1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001211794778 1093336782 /nfs/dbraw/zinc/33/67/82/1093336782.db2.gz HXCOLZWTXZKUMK-UHFFFAOYSA-N -1 3 372.849 4.041 20 0 FIADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1cc2cc(Cl)ccc2s1 ZINC000429910027 1093488916 /nfs/dbraw/zinc/48/89/16/1093488916.db2.gz MLTUDVKYWVVJNO-VIFPVBQESA-N -1 3 365.854 4.268 20 0 FIADHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000509852940 1093537095 /nfs/dbraw/zinc/53/70/95/1093537095.db2.gz LHQQNNJXFHQIMN-AWEZNQCLSA-N -1 3 362.433 4.349 20 0 FIADHM CCOc1cc(CNc2ccc(F)c(NC(C)=O)c2)cc(Cl)c1[O-] ZINC000512960487 1093606501 /nfs/dbraw/zinc/60/65/01/1093606501.db2.gz LOYVQZMDUYPVEJ-UHFFFAOYSA-N -1 3 352.793 4.154 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)c4ccccc43)cc2)cc(=O)[n-]1 ZINC000509860204 1093615790 /nfs/dbraw/zinc/61/57/90/1093615790.db2.gz POZODTAFTISJSD-ZDUSSCGKSA-N -1 3 360.417 4.313 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H](C)c3cccs3)cc2)cc(=O)[n-]1 ZINC000509859871 1093616290 /nfs/dbraw/zinc/61/62/90/1093616290.db2.gz LFRBTYRGGNHYBI-LBPRGKRZSA-N -1 3 368.462 4.444 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000452747800 1093643810 /nfs/dbraw/zinc/64/38/10/1093643810.db2.gz ITIXZRXSSXXPQE-IUCAKERBSA-N -1 3 366.177 4.380 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(Cc2ccc(F)cc2)CC1 ZINC000469808803 1093665880 /nfs/dbraw/zinc/66/58/80/1093665880.db2.gz RLKZEUXWGNSHJT-UHFFFAOYSA-N -1 3 359.416 4.132 20 0 FIADHM CCc1ccc(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)c([O-])c1 ZINC000191672251 1093717692 /nfs/dbraw/zinc/71/76/92/1093717692.db2.gz WLIBSMJTDUSMGR-VWLOTQADSA-N -1 3 359.491 4.254 20 0 FIADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCCCC[C@@H]1c1ccco1 ZINC000895871495 1093746124 /nfs/dbraw/zinc/74/61/24/1093746124.db2.gz XSNQWRPDUDIJQN-QGZVFWFLSA-N -1 3 372.371 4.157 20 0 FIADHM CCc1ccc(C(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)c([O-])c1 ZINC001143554951 1093747858 /nfs/dbraw/zinc/74/78/58/1093747858.db2.gz IGJRMDLOJOVVBE-NRFANRHFSA-N -1 3 367.489 4.369 20 0 FIADHM O=c1[n-]c(CN2CCC[C@H]2c2ccsc2)nc2c3ccccc3oc21 ZINC000052803523 1093956883 /nfs/dbraw/zinc/95/68/83/1093956883.db2.gz YCJNUBIWAWETDO-AWEZNQCLSA-N -1 3 351.431 4.068 20 0 FIADHM COC(=O)c1c(C)[n-]c(=O)nc1SCC1CCC(C(C)(C)C)CC1 ZINC000513614519 1094236462 /nfs/dbraw/zinc/23/64/62/1094236462.db2.gz HVDIHVVLCDWSJX-UHFFFAOYSA-N -1 3 352.500 4.222 20 0 FIADHM COc1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc(OC)c1[O-] ZINC000513660601 1094259640 /nfs/dbraw/zinc/25/96/40/1094259640.db2.gz MVPBIUOBUJOWPN-UHFFFAOYSA-N -1 3 369.461 4.338 20 0 FIADHM CCCc1nnc([N-]C(=O)c2sc(-c3cccs3)nc2C)s1 ZINC000017367863 1094716183 /nfs/dbraw/zinc/71/61/83/1094716183.db2.gz UCTVSKFIKSKKAR-UHFFFAOYSA-N -1 3 350.494 4.236 20 0 FIADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000192469905 1095084269 /nfs/dbraw/zinc/08/42/69/1095084269.db2.gz UFDFNUKLPGDCOX-LLVKDONJSA-N -1 3 353.340 4.340 20 0 FIADHM CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752622 1095311872 /nfs/dbraw/zinc/31/18/72/1095311872.db2.gz KYOLLNXWLOYSND-VIFPVBQESA-N -1 3 355.221 4.068 20 0 FIADHM Cc1nc([C@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)cs1 ZINC000330162319 1095398973 /nfs/dbraw/zinc/39/89/73/1095398973.db2.gz SHJOXUQPIVKNEC-CQSZACIVSA-N -1 3 366.446 4.184 20 0 FIADHM [O-]c1cccc(CN2CCC[C@H](CC(F)(F)F)C2)c1Br ZINC000421367931 1095569076 /nfs/dbraw/zinc/56/90/76/1095569076.db2.gz WZKUVUDEGQVTAA-SNVBAGLBSA-N -1 3 352.194 4.319 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)s1 ZINC000443985268 1095579065 /nfs/dbraw/zinc/57/90/65/1095579065.db2.gz JXFBDTANQYIVEN-ZDUSSCGKSA-N -1 3 363.426 4.337 20 0 FIADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1c[n-]c2ccccc2c1=O ZINC000522713215 1095596881 /nfs/dbraw/zinc/59/68/81/1095596881.db2.gz WJGXPCAQUWZWBF-ZHACJKMWSA-N -1 3 373.437 4.407 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000502646258 1095668320 /nfs/dbraw/zinc/66/83/20/1095668320.db2.gz GOHQRTFLZSZGOT-MNOVXSKESA-N -1 3 363.204 4.114 20 0 FIADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000502648895 1095684780 /nfs/dbraw/zinc/68/47/80/1095684780.db2.gz OINPXLFPCRKTQT-VIFPVBQESA-N -1 3 365.220 4.189 20 0 FIADHM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000522975864 1095933790 /nfs/dbraw/zinc/93/37/90/1095933790.db2.gz SPBWNUDMVDBMDK-AWEZNQCLSA-N -1 3 362.832 4.035 20 0 FIADHM O=C([O-])C[C@H](NCc1cccc(C2CC2)c1)c1cnn(-c2ccccc2)c1 ZINC000421817607 1095952087 /nfs/dbraw/zinc/95/20/87/1095952087.db2.gz VVOGETCPHCPSGW-NRFANRHFSA-N -1 3 361.445 4.055 20 0 FIADHM Cc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)c2ccccc2)cc1 ZINC000503040818 1096032383 /nfs/dbraw/zinc/03/23/83/1096032383.db2.gz CDHHNBYUMBIARG-HSZRJFAPSA-N -1 3 368.436 4.356 20 0 FIADHM CCc1sc(NC(=O)c2cc(F)cc3n[n-]nc32)nc1-c1ccccc1 ZINC000503180614 1096113380 /nfs/dbraw/zinc/11/33/80/1096113380.db2.gz PZFNQWLIARRYHC-UHFFFAOYSA-N -1 3 367.409 4.035 20 0 FIADHM O=C(Nc1c(F)cccc1Oc1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000503317658 1096355341 /nfs/dbraw/zinc/35/53/41/1096355341.db2.gz ZYMNNYQIUONIFB-UHFFFAOYSA-N -1 3 366.327 4.281 20 0 FIADHM O=C([O-])CCCCNCc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000414676798 1096425277 /nfs/dbraw/zinc/42/52/77/1096425277.db2.gz HQRBLRLJLRANQI-UHFFFAOYSA-N -1 3 359.278 4.461 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC(C4CCC4)CC3)cc2)cc(=O)[n-]1 ZINC000664333034 1096540371 /nfs/dbraw/zinc/54/03/71/1096540371.db2.gz JAWYZALDLRXIMY-UHFFFAOYSA-N -1 3 366.465 4.202 20 0 FIADHM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000504150420 1096688346 /nfs/dbraw/zinc/68/83/46/1096688346.db2.gz IORWWKRFBZLTBU-DIFFPNOSSA-N -1 3 366.244 4.301 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000515503387 1098657839 /nfs/dbraw/zinc/65/78/39/1098657839.db2.gz RUXOFLAKAYYCMX-IUCAKERBSA-N -1 3 366.177 4.462 20 0 FIADHM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)Nc1ncccc1[O-] ZINC000436091719 1098736207 /nfs/dbraw/zinc/73/62/07/1098736207.db2.gz PCKJNYZRVLPCQO-UHFFFAOYSA-N -1 3 364.188 4.310 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c(C)c1 ZINC000515699765 1098844812 /nfs/dbraw/zinc/84/48/12/1098844812.db2.gz YTCKRQZXUHIICH-UHFFFAOYSA-N -1 3 363.479 4.210 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cc3ccccc3s2)c1 ZINC000436489362 1099065067 /nfs/dbraw/zinc/06/50/67/1099065067.db2.gz VQCGZBIWRUZWMB-NSHDSACASA-N -1 3 354.431 4.056 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cc3ccccc3s2)c1 ZINC000436489358 1099065697 /nfs/dbraw/zinc/06/56/97/1099065697.db2.gz VQCGZBIWRUZWMB-LLVKDONJSA-N -1 3 354.431 4.056 20 0 FIADHM COc1cccc(-c2nc(-c3cc(Br)ccc3F)no2)c1[O-] ZINC000436533006 1099089068 /nfs/dbraw/zinc/08/90/68/1099089068.db2.gz LEMGCFMFOMAOAQ-UHFFFAOYSA-N -1 3 365.158 4.019 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC=C(c2ccncc2)C1 ZINC000436532224 1099089457 /nfs/dbraw/zinc/08/94/57/1099089457.db2.gz GPIKAMRXVRTIBY-UHFFFAOYSA-N -1 3 370.452 4.308 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c([O-])c1 ZINC000436571043 1099121918 /nfs/dbraw/zinc/12/19/18/1099121918.db2.gz BRNQHRLAUVXCOX-UHFFFAOYSA-N -1 3 352.365 4.066 20 0 FIADHM CN(Cc1ccc(O)cc1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436580451 1099130917 /nfs/dbraw/zinc/13/09/17/1099130917.db2.gz WWJLLHWHCDDYTK-UHFFFAOYSA-N -1 3 361.441 4.155 20 0 FIADHM COC[C@@H](C)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436603122 1099138654 /nfs/dbraw/zinc/13/86/54/1099138654.db2.gz GYSWKIPTMNZOOT-LBPRGKRZSA-N -1 3 356.447 4.280 20 0 FIADHM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436604412 1099140027 /nfs/dbraw/zinc/14/00/27/1099140027.db2.gz CKXZBUKKAJZGEP-YLJYHZDGSA-N -1 3 367.489 4.139 20 0 FIADHM Cc1sc(NC(=O)c2cccc(C)c2[O-])nc1-c1c[nH]c2ncccc12 ZINC000436628508 1099155394 /nfs/dbraw/zinc/15/53/94/1099155394.db2.gz ZJMBTYGMQSCOOE-UHFFFAOYSA-N -1 3 364.430 4.261 20 0 FIADHM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436627298 1099155780 /nfs/dbraw/zinc/15/57/80/1099155780.db2.gz SBEZNPRUWSQNPU-SECBINFHSA-N -1 3 352.217 4.164 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1[O-] ZINC000436657958 1099181304 /nfs/dbraw/zinc/18/13/04/1099181304.db2.gz KDLCBRKFQRRYQO-FQEVSTJZSA-N -1 3 362.429 4.444 20 0 FIADHM CC(C)c1ccc(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)c([O-])c1 ZINC000436681769 1099214426 /nfs/dbraw/zinc/21/44/26/1099214426.db2.gz SEHCCVKIJIMMOU-INIZCTEOSA-N -1 3 368.477 4.161 20 0 FIADHM CC(C)c1ccc(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)c([O-])c1 ZINC000436681772 1099214547 /nfs/dbraw/zinc/21/45/47/1099214547.db2.gz SEHCCVKIJIMMOU-MRXNPFEDSA-N -1 3 368.477 4.161 20 0 FIADHM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618396 1099215669 /nfs/dbraw/zinc/21/56/69/1099215669.db2.gz HSFKNKCGZGQJII-KRWDZBQOSA-N -1 3 374.868 4.137 20 0 FIADHM O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(O)cc1[O-] ZINC000436685150 1099217946 /nfs/dbraw/zinc/21/79/46/1099217946.db2.gz AMVLPFDNXHSLAK-LJQANCHMSA-N -1 3 372.424 4.141 20 0 FIADHM CC1CCN([C@H](CNC(=O)c2ccc([O-])c(Cl)c2)c2ccccc2)CC1 ZINC000436686875 1099219443 /nfs/dbraw/zinc/21/94/43/1099219443.db2.gz GRKJPXLBTBHPNF-LJQANCHMSA-N -1 3 372.896 4.249 20 0 FIADHM CCOc1ccc2[nH]c(SCc3noc(-c4ccccc4[O-])n3)nc2c1 ZINC000436702301 1099236941 /nfs/dbraw/zinc/23/69/41/1099236941.db2.gz CMXAEJRVDCUFKQ-UHFFFAOYSA-N -1 3 368.418 4.010 20 0 FIADHM CO[C@@](C)(C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000436705832 1099238722 /nfs/dbraw/zinc/23/87/22/1099238722.db2.gz OLEDSMNQHKNDKU-HXUWFJFHSA-N -1 3 368.458 4.423 20 0 FIADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436706770 1099239829 /nfs/dbraw/zinc/23/98/29/1099239829.db2.gz DCTGCGLIOMMZBE-SJKOYZFVSA-N -1 3 365.351 4.013 20 0 FIADHM CC[C@H](C)N[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccco1 ZINC000436712536 1099245452 /nfs/dbraw/zinc/24/54/52/1099245452.db2.gz GJPUCVKNZUXBLC-GXFFZTMASA-N -1 3 371.264 4.151 20 0 FIADHM CCOc1cc(-c2nc3cc(Cl)cnc3[nH]2)cc(Br)c1[O-] ZINC000436734223 1099256881 /nfs/dbraw/zinc/25/68/81/1099256881.db2.gz ANAUTPWTZVPNDR-UHFFFAOYSA-N -1 3 368.618 4.145 20 0 FIADHM CCOc1cc(-c2nc3ccc(F)cc3n2C)cc(Br)c1[O-] ZINC000436743601 1099264089 /nfs/dbraw/zinc/26/40/89/1099264089.db2.gz XUYLFDUHGKIVIO-UHFFFAOYSA-N -1 3 365.202 4.246 20 0 FIADHM CC(C)c1ccc(C(=O)N(C[C@@H](C)c2ccccc2)[C@@H](C)CO)c([O-])c1 ZINC000436734993 1099271744 /nfs/dbraw/zinc/27/17/44/1099271744.db2.gz FXWAWSOOUVQCPI-SJORKVTESA-N -1 3 355.478 4.142 20 0 FIADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c(Br)c1 ZINC000533675991 1099299358 /nfs/dbraw/zinc/29/93/58/1099299358.db2.gz QGHGVUVYFBINKG-UHFFFAOYSA-N -1 3 370.250 4.130 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3cnc(C4CCCC4)nc3N)no2)c([O-])c1 ZINC000436784680 1099317151 /nfs/dbraw/zinc/31/71/51/1099317151.db2.gz XYKMBTPGUXSHPS-UHFFFAOYSA-N -1 3 365.437 4.093 20 0 FIADHM C[C@]12CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C[C@H]1C2(F)F ZINC000436786989 1099318459 /nfs/dbraw/zinc/31/84/59/1099318459.db2.gz LRJAQXFOBFXHKQ-CTNGQTDRSA-N -1 3 371.427 4.295 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)c1 ZINC000436786508 1099319688 /nfs/dbraw/zinc/31/96/88/1099319688.db2.gz JIXVFSWYDIWZQR-VFNWGFHPSA-N -1 3 366.461 4.272 20 0 FIADHM CCc1ccc(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c([O-])c1 ZINC000436815491 1099328310 /nfs/dbraw/zinc/32/83/10/1099328310.db2.gz WLZGPDBUSHCLML-UHFFFAOYSA-N -1 3 350.422 4.115 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c([O-])c1 ZINC000436819013 1099330372 /nfs/dbraw/zinc/33/03/72/1099330372.db2.gz LYLPMWRWLDUAMT-LJQANCHMSA-N -1 3 359.853 4.383 20 0 FIADHM Cc1c(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cccc1-c1ncco1 ZINC000436826420 1099354249 /nfs/dbraw/zinc/35/42/49/1099354249.db2.gz PENVYQSNXBWIQG-UHFFFAOYSA-N -1 3 364.401 4.321 20 0 FIADHM CCOC(=O)c1noc(Nc2ccc([O-])c(F)c2F)c1-c1ccccc1 ZINC001212005191 1099370380 /nfs/dbraw/zinc/37/03/80/1099370380.db2.gz BBYCGBRLYNOBDE-UHFFFAOYSA-N -1 3 360.316 4.246 20 0 FIADHM Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1I ZINC001212010885 1099375378 /nfs/dbraw/zinc/37/53/78/1099375378.db2.gz FEXSKWWJYKTRND-UHFFFAOYSA-N -1 3 361.129 4.327 20 0 FIADHM CC(=O)Nc1nc(-c2cccc(Nc3ccc([O-])c(F)c3F)c2)cs1 ZINC001212013800 1099377689 /nfs/dbraw/zinc/37/76/89/1099377689.db2.gz KQOVZDMILNYJCZ-UHFFFAOYSA-N -1 3 361.373 4.496 20 0 FIADHM O=S(=O)([N-]CC[C@@H]1CCc2ccccc21)c1cccc(Cl)c1Cl ZINC001212021011 1099379713 /nfs/dbraw/zinc/37/97/13/1099379713.db2.gz HKIASGBPJRVOHK-ZDUSSCGKSA-N -1 3 370.301 4.392 20 0 FIADHM CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000436875816 1099387718 /nfs/dbraw/zinc/38/77/18/1099387718.db2.gz ZFZLWSAQJOODDW-KRWDZBQOSA-N -1 3 365.433 4.276 20 0 FIADHM CC(C)Oc1ccc(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000436880087 1099396216 /nfs/dbraw/zinc/39/62/16/1099396216.db2.gz ILMPOFMLVYYVBI-UHFFFAOYSA-N -1 3 355.434 4.170 20 0 FIADHM CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CCCCC1 ZINC001212046080 1099397650 /nfs/dbraw/zinc/39/76/50/1099397650.db2.gz STBNGFKVJJZSQM-UHFFFAOYSA-N -1 3 370.824 4.003 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)c([O-])c1 ZINC000436931038 1099428615 /nfs/dbraw/zinc/42/86/15/1099428615.db2.gz YRVXHIICZYVNAK-UHFFFAOYSA-N -1 3 350.422 4.228 20 0 FIADHM Cc1ccc(-c2nc(Cc3ccc(Br)c(F)c3)no2)c([O-])c1 ZINC000436951094 1099449029 /nfs/dbraw/zinc/44/90/29/1099449029.db2.gz RCLMQDZNUJQDPV-UHFFFAOYSA-N -1 3 363.186 4.243 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cc(OCC(F)F)ccn2)no1 ZINC000436962147 1099460969 /nfs/dbraw/zinc/46/09/69/1099460969.db2.gz WKYDDZOYMFVCFI-UHFFFAOYSA-N -1 3 369.327 4.301 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000436981678 1099488215 /nfs/dbraw/zinc/48/82/15/1099488215.db2.gz CZCPLIFVMCYIRF-DYESRHJHSA-N -1 3 369.461 4.221 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC000436981682 1099488305 /nfs/dbraw/zinc/48/83/05/1099488305.db2.gz CZCPLIFVMCYIRF-UTKZUKDTSA-N -1 3 369.461 4.221 20 0 FIADHM CCCCOc1ccc(C(=O)N(C)[C@@H]2CC[C@H](SCC)C2)c([O-])c1 ZINC000436986382 1099505377 /nfs/dbraw/zinc/50/53/77/1099505377.db2.gz JLCIECDLVRATHZ-ZBFHGGJFSA-N -1 3 351.512 4.317 20 0 FIADHM Cc1cc(Br)c(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1Cl ZINC000263487111 1099795650 /nfs/dbraw/zinc/79/56/50/1099795650.db2.gz HOWGDMHPHRVIGM-BLLLJJGKSA-N -1 3 372.690 4.098 20 0 FIADHM CC[C@@](C)(NCc1cccc([O-])c1Br)c1nc(C)cs1 ZINC000459415322 1100141419 /nfs/dbraw/zinc/14/14/19/1100141419.db2.gz RGBDSFWAZDQCFP-OAHLLOKOSA-N -1 3 355.301 4.335 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3Cc4ccccc4C[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000437743490 1100144526 /nfs/dbraw/zinc/14/45/26/1100144526.db2.gz HXMZSBFHXGNIME-AWEZNQCLSA-N -1 3 374.444 4.136 20 0 FIADHM CCOc1cc(CNc2ccc3oc(COC)nc3c2)cc(Cl)c1[O-] ZINC000459427867 1100161303 /nfs/dbraw/zinc/16/13/03/1100161303.db2.gz OPAQPQIZPASECA-UHFFFAOYSA-N -1 3 362.813 4.344 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1[O-] ZINC000536730711 1100238897 /nfs/dbraw/zinc/23/88/97/1100238897.db2.gz CPIDDONTTIPGNS-QGZVFWFLSA-N -1 3 369.852 4.462 20 0 FIADHM C[C@@H](NCc1cccc([O-])c1Br)[C@H]1OCCc2sccc21 ZINC000459555737 1100301624 /nfs/dbraw/zinc/30/16/24/1100301624.db2.gz IIHLBOZAHJEGJU-QLJPJBMISA-N -1 3 368.296 4.008 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437907747 1100306571 /nfs/dbraw/zinc/30/65/71/1100306571.db2.gz HBUGVPZCYNESJJ-SWLSCSKDSA-N -1 3 369.223 4.193 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCCCc1c[nH]c2ccc(F)cc12 ZINC000506224336 1100644249 /nfs/dbraw/zinc/64/42/49/1100644249.db2.gz PQNREJADLNRVRN-UHFFFAOYSA-N -1 3 372.415 4.223 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cnc2c(F)cccc2c1 ZINC000517825275 1100696249 /nfs/dbraw/zinc/69/62/49/1100696249.db2.gz ZTYXPJAIMGYZIE-UHFFFAOYSA-N -1 3 361.170 4.094 20 0 FIADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000517871193 1100733639 /nfs/dbraw/zinc/73/36/39/1100733639.db2.gz YXAOQOTXXUSQNH-MRXNPFEDSA-N -1 3 368.886 4.155 20 0 FIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000438811309 1100933342 /nfs/dbraw/zinc/93/33/42/1100933342.db2.gz LCEQFXFKSFMTPM-UHFFFAOYSA-N -1 3 355.818 4.119 20 0 FIADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000438947589 1101040287 /nfs/dbraw/zinc/04/02/87/1101040287.db2.gz NBIAZVIOHDXZDI-UHFFFAOYSA-N -1 3 358.554 4.104 20 0 FIADHM CC[C@@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc(C(F)(F)F)c1 ZINC000438942708 1101047591 /nfs/dbraw/zinc/04/75/91/1101047591.db2.gz RHHLXCJUOVCZQM-OAHLLOKOSA-N -1 3 374.366 4.045 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c(C)c1C ZINC000537196584 1101531218 /nfs/dbraw/zinc/53/12/18/1101531218.db2.gz ZIZDOYQRMRRABL-UHFFFAOYSA-N -1 3 351.493 4.143 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@H]1c1ccccc1 ZINC000518769313 1101546551 /nfs/dbraw/zinc/54/65/51/1101546551.db2.gz MTIPREACRMJNSE-JKSUJKDBSA-N -1 3 350.245 4.294 20 0 FIADHM O=C([O-])c1ccccc1OCCN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000183921774 1101642674 /nfs/dbraw/zinc/64/26/74/1101642674.db2.gz GZZRRBGOLBLQGK-FQEVSTJZSA-N -1 3 364.445 4.472 20 0 FIADHM CCOc1ccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000518910279 1101712652 /nfs/dbraw/zinc/71/26/52/1101712652.db2.gz HUZBHPXDMHFUJC-UHFFFAOYSA-N -1 3 364.405 4.200 20 0 FIADHM CCOc1cccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000518911200 1101714619 /nfs/dbraw/zinc/71/46/19/1101714619.db2.gz XUMIEBWMVOGIKE-UHFFFAOYSA-N -1 3 364.405 4.200 20 0 FIADHM Cc1ccc(C(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c([O-])c1 ZINC001625984456 1101868145 /nfs/dbraw/zinc/86/81/45/1101868145.db2.gz DGEVWSHCBZKLRM-UHFFFAOYSA-N -1 3 359.425 4.233 20 0 FIADHM O=C(COc1ccc(F)cc1Cl)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476132918 1101958482 /nfs/dbraw/zinc/95/84/82/1101958482.db2.gz CZNIOQBZOMTQGN-UHFFFAOYSA-N -1 3 363.694 4.221 20 0 FIADHM CSc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000006976916 1101999685 /nfs/dbraw/zinc/99/96/85/1101999685.db2.gz YTWHIGDBTSMEDE-SNVBAGLBSA-N -1 3 374.487 4.241 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000476184441 1102023023 /nfs/dbraw/zinc/02/30/23/1102023023.db2.gz YVAYCNFVEFHPNJ-UHFFFAOYSA-N -1 3 366.270 4.056 20 0 FIADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263316957 1102067761 /nfs/dbraw/zinc/06/77/61/1102067761.db2.gz IWFDONOHWKPQCM-STQMWFEESA-N -1 3 356.447 4.241 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCc2c(O)cccc21 ZINC000476311488 1102104062 /nfs/dbraw/zinc/10/40/62/1102104062.db2.gz QHEGVVMGAGDIMR-CYBMUJFWSA-N -1 3 351.324 4.175 20 0 FIADHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000263460067 1102165764 /nfs/dbraw/zinc/16/57/64/1102165764.db2.gz IOFCAPQWRQTIKD-GFCCVEGCSA-N -1 3 353.340 4.177 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1C ZINC000440289758 1102172552 /nfs/dbraw/zinc/17/25/52/1102172552.db2.gz HELDGFJKSRNWEG-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM Cc1ccccc1C[C@H](CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000426634992 1102206329 /nfs/dbraw/zinc/20/63/29/1102206329.db2.gz SHGQSKLOSXSSIT-GOSISDBHSA-N -1 3 366.486 4.152 20 0 FIADHM C[C@@H]1CC[C@](CNCc2csc(-c3cccs3)n2)(CC(=O)[O-])C1 ZINC000426638936 1102222573 /nfs/dbraw/zinc/22/25/73/1102222573.db2.gz TWPUUOOVWCHHEO-SJKOYZFVSA-N -1 3 350.509 4.242 20 0 FIADHM CCc1noc(C)c1[N-]C(=O)c1occc1CN1c2ccccc2C[C@H]1C ZINC000120946410 1102285739 /nfs/dbraw/zinc/28/57/39/1102285739.db2.gz UOXUBVKLQBIPTK-CYBMUJFWSA-N -1 3 365.433 4.342 20 0 FIADHM COc1ccccc1/C=C\CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666585936 1102313070 /nfs/dbraw/zinc/31/30/70/1102313070.db2.gz KJOVJOKIKSRLTO-VURMDHGXSA-N -1 3 351.446 4.286 20 0 FIADHM O=C([O-])c1ccccc1C1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000666586126 1102313179 /nfs/dbraw/zinc/31/31/79/1102313179.db2.gz LUWPOKFIFOHMND-UHFFFAOYSA-N -1 3 361.445 4.155 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccc(CSc2ccccc2)cc1 ZINC000473626635 1102334743 /nfs/dbraw/zinc/33/47/43/1102334743.db2.gz CAMGKWDEPJNSRC-UHFFFAOYSA-N -1 3 350.443 4.010 20 0 FIADHM CC(C)Sc1ccccc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000122237923 1102548927 /nfs/dbraw/zinc/54/89/27/1102548927.db2.gz LKGHHWBEWGFNHN-UHFFFAOYSA-N -1 3 356.476 4.353 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)C2CCCCC2)c1 ZINC000122403328 1102572552 /nfs/dbraw/zinc/57/25/52/1102572552.db2.gz KGXSOYVVKPMHPY-UHFFFAOYSA-N -1 3 366.461 4.326 20 0 FIADHM CC1(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]1c1ccncc1 ZINC000664831712 1102579199 /nfs/dbraw/zinc/57/91/99/1102579199.db2.gz SVDNARGUJHXSOK-LJQANCHMSA-N -1 3 360.417 4.060 20 0 FIADHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1nnc(C(C)C)s1 ZINC000550160341 1102622541 /nfs/dbraw/zinc/62/25/41/1102622541.db2.gz NOVXDWVXBYKTFG-UHFFFAOYSA-N -1 3 367.496 4.023 20 0 FIADHM CC(C)C[C@@H](C(=O)OCc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC000783790705 1102650332 /nfs/dbraw/zinc/65/03/32/1102650332.db2.gz ZOMODYYPKOVZCW-QGZVFWFLSA-N -1 3 366.417 4.315 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2cnc(-c3ccsc3)s2)s1 ZINC000112228342 1102821343 /nfs/dbraw/zinc/82/13/43/1102821343.db2.gz SFVRDWXLBZRFMF-UHFFFAOYSA-N -1 3 350.494 4.174 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nc(-c2ccc(SC)cc2)ns1 ZINC000440472146 1102853068 /nfs/dbraw/zinc/85/30/68/1102853068.db2.gz JTCWSUMSZBXENF-UHFFFAOYSA-N -1 3 363.489 4.249 20 0 FIADHM Cc1nc(C)c([C@@H](C)N(C)Cc2cccc([O-])c2Br)s1 ZINC000459340499 1102863736 /nfs/dbraw/zinc/86/37/36/1102863736.db2.gz VKHHXRRZSGTOOT-SNVBAGLBSA-N -1 3 355.301 4.421 20 0 FIADHM CC(C)(C)c1nc(CNCCC[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000426675075 1102895341 /nfs/dbraw/zinc/89/53/41/1102895341.db2.gz PAWRDHCSEOZNFJ-INIZCTEOSA-N -1 3 360.523 4.254 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)c(F)c2)cc1 ZINC000473846692 1102900223 /nfs/dbraw/zinc/90/02/23/1102900223.db2.gz JTHGTCRAMRVQRE-LJQANCHMSA-N -1 3 365.408 4.050 20 0 FIADHM CC(C)(C)c1nc(CNC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cs1 ZINC000426700567 1102930514 /nfs/dbraw/zinc/93/05/14/1102930514.db2.gz SACOSGVZGSMXHP-CYBMUJFWSA-N -1 3 366.914 4.127 20 0 FIADHM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426729922 1102949446 /nfs/dbraw/zinc/94/94/46/1102949446.db2.gz HYAJBZCHQZZQKS-QGZVFWFLSA-N -1 3 351.805 4.182 20 0 FIADHM CC1([C@H](NCc2csc(COc3ccccc3)n2)C(=O)[O-])CCCCC1 ZINC000426737165 1102954620 /nfs/dbraw/zinc/95/46/20/1102954620.db2.gz MLMPQNAAQQCATB-GOSISDBHSA-N -1 3 374.506 4.235 20 0 FIADHM Cc1cccc([C@H](NCc2ccc(F)c(Br)c2)C(=O)[O-])c1C ZINC000426728178 1102962895 /nfs/dbraw/zinc/96/28/95/1102962895.db2.gz UCBHVNQJDLXFNG-INIZCTEOSA-N -1 3 366.230 4.121 20 0 FIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)ccc1Oc1cccnc1 ZINC000426764993 1102963886 /nfs/dbraw/zinc/96/38/86/1102963886.db2.gz ZQJYADIDWSMDSS-HXUWFJFHSA-N -1 3 366.392 4.237 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000426760604 1102974454 /nfs/dbraw/zinc/97/44/54/1102974454.db2.gz SPQIUKOGDXEJTP-KUHUBIRLSA-N -1 3 369.852 4.077 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(OC3CCCC3)c2)c1 ZINC000426762709 1102976437 /nfs/dbraw/zinc/97/64/37/1102976437.db2.gz MQLHENAHKWRYQV-OAQYLSRUSA-N -1 3 369.461 4.322 20 0 FIADHM COc1ccc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC000426771135 1102977532 /nfs/dbraw/zinc/97/75/32/1102977532.db2.gz ZBMQMGNNZPFDFQ-HNNXBMFYSA-N -1 3 369.248 4.093 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@H](CC(=O)[O-])c3ccccc3C)s2)o1 ZINC000426772494 1102978911 /nfs/dbraw/zinc/97/89/11/1102978911.db2.gz KENGWPJQSOGYKA-MRXNPFEDSA-N -1 3 356.447 4.326 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(Cl)c(Cl)c2)c1 ZINC000426783840 1102983495 /nfs/dbraw/zinc/98/34/95/1102983495.db2.gz KNOZCPREPZEMGV-INIZCTEOSA-N -1 3 354.233 4.308 20 0 FIADHM COc1ccc([C@@H](NCc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1F ZINC000426801266 1102997895 /nfs/dbraw/zinc/99/78/95/1102997895.db2.gz TVWFZKSQORQSBP-OAQYLSRUSA-N -1 3 365.404 4.417 20 0 FIADHM CSc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426799729 1102998271 /nfs/dbraw/zinc/99/82/71/1102998271.db2.gz LURURMAXAFNGQE-OAHLLOKOSA-N -1 3 366.280 4.087 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(Br)c1)c1ccc(F)cc1 ZINC000426811200 1103005958 /nfs/dbraw/zinc/00/59/58/1103005958.db2.gz LTCDUVYNHZVJGT-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C ZINC000614863683 1103011364 /nfs/dbraw/zinc/01/13/64/1103011364.db2.gz XKEMGZRBZCLPRM-UHFFFAOYSA-N -1 3 363.479 4.208 20 0 FIADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1Cl ZINC000426821937 1103017555 /nfs/dbraw/zinc/01/75/55/1103017555.db2.gz YFFWWFPGNJVWPU-HNNXBMFYSA-N -1 3 354.233 4.308 20 0 FIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1Cl ZINC000426825063 1103023001 /nfs/dbraw/zinc/02/30/01/1103023001.db2.gz KQDPPSMKJNLRHG-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM CSc1cc(Br)ccc1CN[C@H](C(=O)[O-])c1ccsc1 ZINC000426834756 1103044240 /nfs/dbraw/zinc/04/42/40/1103044240.db2.gz OZWXBXBMBMFNHC-ZDUSSCGKSA-N -1 3 372.309 4.148 20 0 FIADHM CCCc1nnc([N-]C(=O)c2csc(Cc3ccc(C)cc3)n2)s1 ZINC000507037558 1103056685 /nfs/dbraw/zinc/05/66/85/1103056685.db2.gz IYBMMIRFJAPFNB-UHFFFAOYSA-N -1 3 358.492 4.099 20 0 FIADHM CCOc1cc(CNc2cccc(-c3nccn3C)c2)cc(Cl)c1[O-] ZINC000551334058 1103092126 /nfs/dbraw/zinc/09/21/26/1103092126.db2.gz MCBANBZOVJWRLV-UHFFFAOYSA-N -1 3 357.841 4.457 20 0 FIADHM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000532881224 1103303352 /nfs/dbraw/zinc/30/33/52/1103303352.db2.gz LRPSYLHMENLWTI-OAHLLOKOSA-N -1 3 374.868 4.001 20 0 FIADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1ncccc1Cl ZINC000551544479 1103321017 /nfs/dbraw/zinc/32/10/17/1103321017.db2.gz IJGNHERNHXUCAU-UHFFFAOYSA-N -1 3 365.245 4.083 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2ncc(-c3cccc(Cl)c3)o2)n1 ZINC000477360977 1103404250 /nfs/dbraw/zinc/40/42/50/1103404250.db2.gz GVZLAVYSZVGTNO-UHFFFAOYSA-N -1 3 361.854 4.486 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c(C)c1C ZINC000427300134 1103423260 /nfs/dbraw/zinc/42/32/60/1103423260.db2.gz BUQBSIULAJIHED-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM CC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc2ccccc21 ZINC000894856626 1103621544 /nfs/dbraw/zinc/62/15/44/1103621544.db2.gz ZVDZQEWDQAIGOB-HXUWFJFHSA-N -1 3 363.461 4.152 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CCCCC3(C)C)cc2)n1 ZINC000507722478 1103640114 /nfs/dbraw/zinc/64/01/14/1103640114.db2.gz CJGBYHYOEPOTGX-MRXNPFEDSA-N -1 3 353.466 4.290 20 0 FIADHM CCCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005308420 1103744231 /nfs/dbraw/zinc/74/42/31/1103744231.db2.gz XLENRRXBIMHNQE-UHFFFAOYSA-N -1 3 360.479 4.315 20 0 FIADHM Cc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)oc2c1C(=O)CCC2 ZINC000440995087 1104064751 /nfs/dbraw/zinc/06/47/51/1104064751.db2.gz ZTFFEDOFKSTPFP-UHFFFAOYSA-N -1 3 353.296 4.084 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(c2ccccc2)CCOCC1 ZINC000440996492 1104066228 /nfs/dbraw/zinc/06/62/28/1104066228.db2.gz CGCIZSNPOVFJLB-UHFFFAOYSA-N -1 3 365.351 4.098 20 0 FIADHM CCOc1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1Cl ZINC000440998623 1104067548 /nfs/dbraw/zinc/06/75/48/1104067548.db2.gz BUNKTERMRJMKPD-UHFFFAOYSA-N -1 3 360.719 4.110 20 0 FIADHM CCOC(=O)c1sc2ncnc([N-]c3nc(C4CC4)cs3)c2c1C ZINC000045913812 1104775392 /nfs/dbraw/zinc/77/53/92/1104775392.db2.gz LCELAOAOELQFPD-UHFFFAOYSA-N -1 3 360.464 4.254 20 0 FIADHM CCOc1ccccc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000520467059 1104802806 /nfs/dbraw/zinc/80/28/06/1104802806.db2.gz WOWBPRWLXPLWBI-UHFFFAOYSA-N -1 3 364.405 4.200 20 0 FIADHM O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)NCc1csc(C2CC2)n1 ZINC000417628401 1105027974 /nfs/dbraw/zinc/02/79/74/1105027974.db2.gz WFPYSALGZQUHBP-AWEZNQCLSA-N -1 3 371.289 4.113 20 0 FIADHM CC[C@@H](CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000417643785 1105044468 /nfs/dbraw/zinc/04/44/68/1105044468.db2.gz BKALHAZVCZNPQJ-NSHDSACASA-N -1 3 372.412 4.419 20 0 FIADHM CC(C)Oc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000520687713 1105114059 /nfs/dbraw/zinc/11/40/59/1105114059.db2.gz RCWYGNFGSWHYJQ-UHFFFAOYSA-N -1 3 350.212 4.194 20 0 FIADHM CCC(CC)c1cc(C[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)on1 ZINC001126525879 1105223531 /nfs/dbraw/zinc/22/35/31/1105223531.db2.gz FHFCRLRWCIKUHF-UHFFFAOYSA-N -1 3 371.815 4.343 20 0 FIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(C(C)(C)C)cc1)c2=O ZINC000507845386 1105239653 /nfs/dbraw/zinc/23/96/53/1105239653.db2.gz ABOOXZKWRVHYHM-UHFFFAOYSA-N -1 3 368.408 4.226 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(Br)cc1Cl)c1ccsc1 ZINC000507932800 1105275763 /nfs/dbraw/zinc/27/57/63/1105275763.db2.gz FULVFQMHBFEQGY-UHFFFAOYSA-N -1 3 370.652 4.104 20 0 FIADHM CC[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000427947222 1105323408 /nfs/dbraw/zinc/32/34/08/1105323408.db2.gz RKSROKCYPMJQAG-AWEZNQCLSA-N -1 3 355.331 4.360 20 0 FIADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc(C2CC2)cc1 ZINC000450976800 1106837018 /nfs/dbraw/zinc/83/70/18/1106837018.db2.gz ZRGLYPRHTYJEDI-UHFFFAOYSA-N -1 3 360.454 4.104 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2sc(N3CCCC3)nc2s1 ZINC000530289489 1106945277 /nfs/dbraw/zinc/94/52/77/1106945277.db2.gz DMNNCTIQKAWSIM-UHFFFAOYSA-N -1 3 363.439 4.055 20 0 FIADHM Cc1nc(-c2ccc(N[C@@H](C)c3ccc(F)cc3F)nc2)[n-]c(=O)c1C ZINC000301363783 1107004213 /nfs/dbraw/zinc/00/42/13/1107004213.db2.gz PHYVQPHOQKLIKU-LBPRGKRZSA-N -1 3 356.376 4.312 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3cccc(C)c3)nc2)n1 ZINC000301543431 1107065693 /nfs/dbraw/zinc/06/56/93/1107065693.db2.gz SPKQSBSCNIYQBV-LJQANCHMSA-N -1 3 360.461 4.457 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccccc4)[C@H]3C)nc2)n1 ZINC000301584332 1107076982 /nfs/dbraw/zinc/07/69/82/1107076982.db2.gz QQHSJDZGTFXYBV-BEFAXECRSA-N -1 3 360.461 4.189 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(Cl)c(F)c3)nc2)n1 ZINC000301895137 1107202336 /nfs/dbraw/zinc/20/23/36/1107202336.db2.gz TWWLBHPLRPUWBN-UHFFFAOYSA-N -1 3 372.831 4.236 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000451674089 1107241383 /nfs/dbraw/zinc/24/13/83/1107241383.db2.gz XPAYMKKDQZNBHH-FQEVSTJZSA-N -1 3 363.379 4.162 20 0 FIADHM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000451677632 1107243281 /nfs/dbraw/zinc/24/32/81/1107243281.db2.gz VEMBQUYRXWTUIM-KSSFIOAISA-N -1 3 357.425 4.082 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(C)c1 ZINC000530714239 1107262240 /nfs/dbraw/zinc/26/22/40/1107262240.db2.gz QXHORGKPBLNSIB-UHFFFAOYSA-N -1 3 372.446 4.131 20 0 FIADHM O=C(Cc1coc2cc(F)ccc12)Nc1cc(Br)ccc1[O-] ZINC000530777677 1107313789 /nfs/dbraw/zinc/31/37/89/1107313789.db2.gz KQXSIWMPZVNXNV-UHFFFAOYSA-N -1 3 364.170 4.221 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(-c2ccccn2)ccc1Cl ZINC000122219626 1107343572 /nfs/dbraw/zinc/34/35/72/1107343572.db2.gz XMQFQTBGHKCBHD-UHFFFAOYSA-N -1 3 365.780 4.032 20 0 FIADHM Cc1ccc(-n2ncc(C(=O)Nc3cc(F)ccc3[O-])c2C(C)C)cc1 ZINC000530897070 1107388861 /nfs/dbraw/zinc/38/88/61/1107388861.db2.gz YPNDYLKZHSVFFK-UHFFFAOYSA-N -1 3 353.397 4.401 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCc4c(O)cccc43)nc2)n1 ZINC000302693857 1107410019 /nfs/dbraw/zinc/41/00/19/1107410019.db2.gz FYISPFNWWRDNET-QGZVFWFLSA-N -1 3 362.433 4.002 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OC2CCC2)cc1 ZINC000531015249 1107465066 /nfs/dbraw/zinc/46/50/66/1107465066.db2.gz MXPQWYPRYRDEDX-UHFFFAOYSA-N -1 3 362.223 4.338 20 0 FIADHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccccc3)s2)c(F)cc1F ZINC000049638094 1107572378 /nfs/dbraw/zinc/57/23/78/1107572378.db2.gz QPURRYJUTYKIPR-UHFFFAOYSA-N -1 3 374.368 4.127 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(-c2ccccc2)no1 ZINC000531155392 1107613409 /nfs/dbraw/zinc/61/34/09/1107613409.db2.gz DGUDFPZOJDBSQH-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000303862111 1107778768 /nfs/dbraw/zinc/77/87/68/1107778768.db2.gz WRIRSQVFTGAOEU-HNNXBMFYSA-N -1 3 365.404 4.282 20 0 FIADHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000475587544 1107813262 /nfs/dbraw/zinc/81/32/62/1107813262.db2.gz GGCONEOZYQYFJV-CQSZACIVSA-N -1 3 361.360 4.106 20 0 FIADHM O=C(CCn1ccc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000531393972 1107820969 /nfs/dbraw/zinc/82/09/69/1107820969.db2.gz PRNODZXQGHODOB-UHFFFAOYSA-N -1 3 359.223 4.138 20 0 FIADHM CCC(CC)n1nccc1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452748096 1107929833 /nfs/dbraw/zinc/92/98/33/1107929833.db2.gz JQZYQNTVBTXLIK-UHFFFAOYSA-N -1 3 366.259 4.273 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c1Cl ZINC000523297182 1108050913 /nfs/dbraw/zinc/05/09/13/1108050913.db2.gz DQIWKHFBJXJFMY-UHFFFAOYSA-N -1 3 356.274 4.269 20 0 FIADHM Cc1cc2cc[nH]c2cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000444968868 1108326619 /nfs/dbraw/zinc/32/66/19/1108326619.db2.gz QWDJVWIRFXTNOB-UHFFFAOYSA-N -1 3 374.238 4.266 20 0 FIADHM [O-]c1ccc(-c2noc(-c3ccc(Cn4ccnc4)cc3)n2)c(Cl)c1 ZINC000445444935 1108770885 /nfs/dbraw/zinc/77/08/85/1108770885.db2.gz HVRWJIWJRWXWRN-UHFFFAOYSA-N -1 3 352.781 4.007 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c[nH]c4ccccc43)nc(=O)c2c1C ZINC000005137494 1108790571 /nfs/dbraw/zinc/79/05/71/1108790571.db2.gz MMCQTHQXZPNGMJ-SNVBAGLBSA-N -1 3 367.430 4.001 20 0 FIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000016122679 1108826739 /nfs/dbraw/zinc/82/67/39/1108826739.db2.gz UNDTXUXFWKCJNS-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Oc1ccccc1 ZINC000524453006 1109029373 /nfs/dbraw/zinc/02/93/73/1109029373.db2.gz GWUWMGAHGBHLAV-UHFFFAOYSA-N -1 3 374.289 4.129 20 0 FIADHM O=C([N-]c1ccccc1SCC(F)(F)F)c1onc2c1CCCC2 ZINC000665923333 1109154877 /nfs/dbraw/zinc/15/48/77/1109154877.db2.gz JGSOOXNDBCFRQV-UHFFFAOYSA-N -1 3 356.369 4.460 20 0 FIADHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000525010493 1109237225 /nfs/dbraw/zinc/23/72/25/1109237225.db2.gz UXQCYPXJSJMURK-CQSZACIVSA-N -1 3 356.447 4.213 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000525063506 1109246021 /nfs/dbraw/zinc/24/60/21/1109246021.db2.gz XWBSMHFNHNLXLI-CMPLNLGQSA-N -1 3 368.177 4.175 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(COCc3ccccc3)cc2)c1 ZINC000525256060 1109321654 /nfs/dbraw/zinc/32/16/54/1109321654.db2.gz XTKSYKQQECCSKP-UHFFFAOYSA-N -1 3 363.413 4.370 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(C)c1 ZINC000525523890 1109412277 /nfs/dbraw/zinc/41/22/77/1109412277.db2.gz XRYTUXAMUYIRNP-UHFFFAOYSA-N -1 3 356.447 4.133 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000525577501 1109430271 /nfs/dbraw/zinc/43/02/71/1109430271.db2.gz LQJNIWLPTRVUQY-WDEREUQCSA-N -1 3 368.177 4.175 20 0 FIADHM O=C([N-]c1nc2c(s1)CCCCCC2)c1cc(-c2ccccn2)no1 ZINC000525691287 1109485303 /nfs/dbraw/zinc/48/53/03/1109485303.db2.gz QAIGBSOFDMWLLJ-UHFFFAOYSA-N -1 3 354.435 4.104 20 0 FIADHM C[C@@](O)(C1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1)C(F)(F)F ZINC001142118278 1109521869 /nfs/dbraw/zinc/52/18/69/1109521869.db2.gz FEISWBJPAYNTLS-CQSZACIVSA-N -1 3 372.214 4.224 20 0 FIADHM C[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CO1 ZINC000525882829 1109543747 /nfs/dbraw/zinc/54/37/47/1109543747.db2.gz UGJBBTLFUXYGEG-NEPJUHHUSA-N -1 3 354.431 4.032 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(F)(c2ccccc2)CC1 ZINC000447606676 1109600956 /nfs/dbraw/zinc/60/09/56/1109600956.db2.gz FMMKTFBXEFKUCO-UHFFFAOYSA-N -1 3 359.416 4.341 20 0 FIADHM O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1cccc2n[n-]nc21 ZINC000526114770 1109625104 /nfs/dbraw/zinc/62/51/04/1109625104.db2.gz BGCYZFBRAYFOLT-UHFFFAOYSA-N -1 3 373.347 4.158 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(F)c1 ZINC000447795526 1109642747 /nfs/dbraw/zinc/64/27/47/1109642747.db2.gz OTRLVNYPFGAYHC-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cc(Br)ccc2Cl)n1 ZINC000447884444 1109666989 /nfs/dbraw/zinc/66/69/89/1109666989.db2.gz XQTUHXPMLPYGAW-JTQLQIEISA-N -1 3 370.678 4.100 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3scnc3C(C)C)c2)n1 ZINC000448724344 1109873079 /nfs/dbraw/zinc/87/30/79/1109873079.db2.gz KVAMAAVRUOBWFW-UHFFFAOYSA-N -1 3 368.462 4.244 20 0 FIADHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000448753011 1109893193 /nfs/dbraw/zinc/89/31/93/1109893193.db2.gz UKUDQJSGDNDPGO-UHFFFAOYSA-N -1 3 366.436 4.270 20 0 FIADHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000448965081 1109945590 /nfs/dbraw/zinc/94/55/90/1109945590.db2.gz BBHJQWWMAQANOQ-UHFFFAOYSA-N -1 3 358.413 4.006 20 0 FIADHM O=C(c1cc([O-])cc(Br)c1)N1CCC(c2ccsc2)CC1 ZINC000529067052 1110191067 /nfs/dbraw/zinc/19/10/67/1110191067.db2.gz GYBWRIQAWMRACS-UHFFFAOYSA-N -1 3 366.280 4.236 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000449911688 1110203313 /nfs/dbraw/zinc/20/33/13/1110203313.db2.gz CEZRTFYNFFTJIA-INIZCTEOSA-N -1 3 365.857 4.044 20 0 FIADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000450248672 1110270772 /nfs/dbraw/zinc/27/07/72/1110270772.db2.gz YEKOFTHPUBUANH-LBPRGKRZSA-N -1 3 350.459 4.182 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000450675199 1110332039 /nfs/dbraw/zinc/33/20/39/1110332039.db2.gz BCTXYDROYPWRNR-UHFFFAOYSA-N -1 3 361.363 4.058 20 0 FIADHM CCc1ccc(C2=CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)cc1 ZINC000539012385 1111392455 /nfs/dbraw/zinc/39/24/55/1111392455.db2.gz ARRIPYZTFGBGLF-UHFFFAOYSA-N -1 3 354.425 4.093 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000539103241 1111435283 /nfs/dbraw/zinc/43/52/83/1111435283.db2.gz AJTHRINCEAVIAM-OLZOCXBDSA-N -1 3 350.187 4.036 20 0 FIADHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1 ZINC000539195558 1111468000 /nfs/dbraw/zinc/46/80/00/1111468000.db2.gz UKJHQLMNJBPNGY-UHFFFAOYSA-N -1 3 363.479 4.059 20 0 FIADHM Cc1cc2sc([N-]C(=O)c3cc(-c4ccccn4)no3)nc2c(C)c1 ZINC000462102558 1111493994 /nfs/dbraw/zinc/49/39/94/1111493994.db2.gz CPHKHUGMSNFDPK-UHFFFAOYSA-N -1 3 350.403 4.215 20 0 FIADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(C)c2Cl)on1 ZINC000539385376 1111546719 /nfs/dbraw/zinc/54/67/19/1111546719.db2.gz LRRKXGDZZXVHHM-UHFFFAOYSA-N -1 3 356.875 4.019 20 0 FIADHM O=C(Nc1ccccc1)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000552131396 1111587873 /nfs/dbraw/zinc/58/78/73/1111587873.db2.gz GDGMVGUCRJQQQH-UHFFFAOYSA-N -1 3 350.349 4.036 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)on2)c1[O-] ZINC000552286974 1111649951 /nfs/dbraw/zinc/64/99/51/1111649951.db2.gz BJSDZDVUCFHTDN-UHFFFAOYSA-N -1 3 356.765 4.156 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccc(-c3ccsc3)nc2C)c1[O-] ZINC000552287307 1111650837 /nfs/dbraw/zinc/65/08/37/1111650837.db2.gz OGVYSWWJQNDMPX-UHFFFAOYSA-N -1 3 352.415 4.279 20 0 FIADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1C ZINC000480074537 1112263131 /nfs/dbraw/zinc/26/31/31/1112263131.db2.gz BYRNYTKAMMWVMX-UHFFFAOYSA-N -1 3 359.278 4.423 20 0 FIADHM CC(C)(C)c1cc2c(nc(-c3cn(Cc4ccccc4)nn3)[n-]c2=O)s1 ZINC000554400397 1112332687 /nfs/dbraw/zinc/33/26/87/1112332687.db2.gz MMTIIDZTDVWUTB-UHFFFAOYSA-N -1 3 365.462 4.001 20 0 FIADHM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554416265 1112337470 /nfs/dbraw/zinc/33/74/70/1112337470.db2.gz ICQOPYDHULVJKZ-SFHVURJKSA-N -1 3 356.857 4.271 20 0 FIADHM Cc1nc(-c2ccc(N3CCC[C@H](C(F)(F)F)[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000480301039 1112377176 /nfs/dbraw/zinc/37/71/76/1112377176.db2.gz MRJJDUUAUYWEGZ-JSGCOSHPSA-N -1 3 366.387 4.028 20 0 FIADHM Cc1nc(-c2ccc(N3CCC[C@H](C(F)(F)F)[C@H]3C)nc2)[n-]c(=O)c1C ZINC000480301040 1112377337 /nfs/dbraw/zinc/37/73/37/1112377337.db2.gz MRJJDUUAUYWEGZ-OCCSQVGLSA-N -1 3 366.387 4.028 20 0 FIADHM CCc1ccc(-c2nc(CC(=O)NCc3ccc([O-])c(F)c3)cs2)cc1 ZINC000156210666 1112452707 /nfs/dbraw/zinc/45/27/07/1112452707.db2.gz LFSTYBTXAYVHJH-UHFFFAOYSA-N -1 3 370.449 4.076 20 0 FIADHM [O-]c1cccnc1CNc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000480584101 1112483701 /nfs/dbraw/zinc/48/37/01/1112483701.db2.gz RMRCMTQIIODEHA-UHFFFAOYSA-N -1 3 352.463 4.160 20 0 FIADHM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC000554846883 1112527764 /nfs/dbraw/zinc/52/77/64/1112527764.db2.gz LAXMNAYGNLZSEL-GOSISDBHSA-N -1 3 351.377 4.110 20 0 FIADHM O=C(N[C@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(O)cc1[O-] ZINC001142613641 1112586630 /nfs/dbraw/zinc/58/66/30/1112586630.db2.gz YAAYVALMFCTAEJ-LJQANCHMSA-N -1 3 369.367 4.090 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N(CCc1ccccc1)Cc1ccncc1 ZINC000555673826 1112961969 /nfs/dbraw/zinc/96/19/69/1112961969.db2.gz XKLCDBKNLLSZFG-UHFFFAOYSA-N -1 3 366.848 4.326 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1 ZINC000481591155 1112990535 /nfs/dbraw/zinc/99/05/35/1112990535.db2.gz FOHOHHHUOYRFMI-UHFFFAOYSA-N -1 3 372.446 4.240 20 0 FIADHM CCCC1(CCC)CCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899919679 1113067022 /nfs/dbraw/zinc/06/70/22/1113067022.db2.gz URTDGTQEJVKHKO-UHFFFAOYSA-N -1 3 362.420 4.381 20 0 FIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000481981871 1113146956 /nfs/dbraw/zinc/14/69/56/1113146956.db2.gz DLCJHMOLDYZBSS-UHFFFAOYSA-N -1 3 354.859 4.105 20 0 FIADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486430193 1113566687 /nfs/dbraw/zinc/56/66/87/1113566687.db2.gz OVOKIYSUVNSNRP-OSAQELSMSA-N -1 3 367.287 4.017 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N(C2CCC2)C2CCC2)s1 ZINC000908362780 1113636224 /nfs/dbraw/zinc/63/62/24/1113636224.db2.gz CSGZNKNPGKDGIP-UHFFFAOYSA-N -1 3 351.472 4.037 20 0 FIADHM CN(CCCCC(=O)Nc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000908412817 1113642599 /nfs/dbraw/zinc/64/25/99/1113642599.db2.gz HKLWWEAHTWLQOM-UHFFFAOYSA-N -1 3 356.850 4.021 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000486785758 1113649410 /nfs/dbraw/zinc/64/94/10/1113649410.db2.gz DNWWUAIXFYAHDJ-NLWGTHIKSA-N -1 3 368.452 4.399 20 0 FIADHM O=C([O-])c1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)cc1Cl ZINC000908689655 1113682186 /nfs/dbraw/zinc/68/21/86/1113682186.db2.gz ZJDZIPPCHPLZMR-UHFFFAOYSA-N -1 3 372.852 4.276 20 0 FIADHM Cc1csc(C(=O)[N-]c2nnc(-c3ccco3)s2)c1Br ZINC000488375913 1113918139 /nfs/dbraw/zinc/91/81/39/1113918139.db2.gz RVCVQHBTSQCGQW-UHFFFAOYSA-N -1 3 370.253 4.183 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000488598588 1113961647 /nfs/dbraw/zinc/96/16/47/1113961647.db2.gz HZCMMQPVAROYPE-UHFFFAOYSA-N -1 3 367.342 4.288 20 0 FIADHM Cc1cccc2cc(C(=O)NCc3ccc([O-])c(Br)c3)oc21 ZINC000488661656 1113972214 /nfs/dbraw/zinc/97/22/14/1113972214.db2.gz SIRKABZYAIYQEO-UHFFFAOYSA-N -1 3 360.207 4.139 20 0 FIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000044259688 1114120607 /nfs/dbraw/zinc/12/06/07/1114120607.db2.gz DWTNBWYCLBXWMD-UHFFFAOYSA-N -1 3 360.479 4.052 20 0 FIADHM COc1cc(C(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000490187906 1114226436 /nfs/dbraw/zinc/22/64/36/1114226436.db2.gz PQLGKAZIFLHFLZ-YWZLYKJASA-N -1 3 369.461 4.331 20 0 FIADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(-c2ccccc2)cc1 ZINC000913299907 1114321991 /nfs/dbraw/zinc/32/19/91/1114321991.db2.gz UTZGXBDNHGLPSY-UHFFFAOYSA-N -1 3 372.380 4.376 20 0 FIADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000913299907 1114321997 /nfs/dbraw/zinc/32/19/97/1114321997.db2.gz UTZGXBDNHGLPSY-UHFFFAOYSA-N -1 3 372.380 4.376 20 0 FIADHM O=C(OCCCc1nc(-c2cccs2)no1)c1cc(Cl)c(Cl)[n-]1 ZINC000913287254 1114323239 /nfs/dbraw/zinc/32/32/39/1114323239.db2.gz YLAMZGDSSICHPI-UHFFFAOYSA-N -1 3 372.233 4.223 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C)c1C ZINC000571596209 1114488507 /nfs/dbraw/zinc/48/85/07/1114488507.db2.gz RBOFHHTYOCDZCT-UHFFFAOYSA-N -1 3 353.871 4.383 20 0 FIADHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cccc(F)c1F ZINC000588215341 1114556081 /nfs/dbraw/zinc/55/60/81/1114556081.db2.gz NJYOLNRSJHHBJQ-UHFFFAOYSA-N -1 3 369.443 4.422 20 0 FIADHM CC(=O)N(c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1)C1CC1 ZINC000572315353 1114628869 /nfs/dbraw/zinc/62/88/69/1114628869.db2.gz JNBXYACQVKDZTI-UHFFFAOYSA-N -1 3 360.413 4.313 20 0 FIADHM CCc1cc2c(CN[C@H](C)c3cc(F)ccc3OC)cc(=O)oc2cc1[O-] ZINC000056183921 1114644313 /nfs/dbraw/zinc/64/43/13/1114644313.db2.gz VSADHNHQHQRPPP-GFCCVEGCSA-N -1 3 371.408 4.060 20 0 FIADHM Cc1c([O-])ccc2c(CNc3ccc(N4CCCC4)c(F)c3)cc(=O)oc12 ZINC000056203167 1114659488 /nfs/dbraw/zinc/65/94/88/1114659488.db2.gz XGPQRPAJJZWINV-UHFFFAOYSA-N -1 3 368.408 4.158 20 0 FIADHM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000588832981 1114662487 /nfs/dbraw/zinc/66/24/87/1114662487.db2.gz AWXJRXAVQKXQFJ-OAHLLOKOSA-N -1 3 363.479 4.290 20 0 FIADHM Cc1cccc(C2(CNC(=O)c3cc(=O)c4ccccc4[n-]3)CCCC2)c1 ZINC000588883701 1114668286 /nfs/dbraw/zinc/66/82/86/1114668286.db2.gz ZTNDCTJCAGQUJO-UHFFFAOYSA-N -1 3 360.457 4.078 20 0 FIADHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000589888938 1114854428 /nfs/dbraw/zinc/85/44/28/1114854428.db2.gz QSHXVHWRMBLZRL-SECBINFHSA-N -1 3 365.307 4.106 20 0 FIADHM CCC(CC)[C@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1cccs1 ZINC000057267335 1114906352 /nfs/dbraw/zinc/90/63/52/1114906352.db2.gz UNTHUCFRNMMNFZ-INIZCTEOSA-N -1 3 363.458 4.009 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3cc4ccccc4o3)n2)cc1 ZINC000590683574 1114957867 /nfs/dbraw/zinc/95/78/67/1114957867.db2.gz ZKMVTDXKFPWKLP-UHFFFAOYSA-N -1 3 351.387 4.212 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000591683440 1115122595 /nfs/dbraw/zinc/12/25/95/1115122595.db2.gz HJWIGHGIIKOPFT-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM CC(C)Sc1cccc(Cl)c1CNCCSC[C@H](C)C(=O)[O-] ZINC000592460883 1115234388 /nfs/dbraw/zinc/23/43/88/1115234388.db2.gz BTNCTDLAOFBESN-LBPRGKRZSA-N -1 3 361.960 4.384 20 0 FIADHM Cc1ccc2c(c1)C(=N[N-]c1ncc(C(F)(F)F)cc1Cl)C(=O)N2 ZINC000058645786 1115283726 /nfs/dbraw/zinc/28/37/26/1115283726.db2.gz DAXOLHUUTCBBJN-UHFFFAOYSA-N -1 3 354.719 4.480 20 0 FIADHM CC(C)C[C@@H](CNCc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000574269761 1115317455 /nfs/dbraw/zinc/31/74/55/1115317455.db2.gz SPBVLKMVHZXNOS-ZDUSSCGKSA-N -1 3 352.887 4.300 20 0 FIADHM CCS[C@@H]1CC[C@@H](N(C)Cc2c(Br)cccc2C(=O)[O-])C1 ZINC000593739680 1115341429 /nfs/dbraw/zinc/34/14/29/1115341429.db2.gz GWFRKTVHACGASZ-VXGBXAGGSA-N -1 3 372.328 4.253 20 0 FIADHM CN(Cc1c(Cl)cccc1C(=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000574332244 1115347678 /nfs/dbraw/zinc/34/76/78/1115347678.db2.gz QQDSBCWZQBAYEX-MRXNPFEDSA-N -1 3 358.869 4.139 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cnc(C(C)(C)C)s3)s2)cc1 ZINC000594572424 1115467225 /nfs/dbraw/zinc/46/72/25/1115467225.db2.gz QNZUEQWLKRXCKL-UHFFFAOYSA-N -1 3 372.519 4.444 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(=O)OC)c(Cl)c2)CC)n1 ZINC000594694667 1115480300 /nfs/dbraw/zinc/48/03/00/1115480300.db2.gz AJIRSEOPAOCXDG-LCYFTJDESA-N -1 3 360.841 4.113 20 0 FIADHM Cc1c([O-])ccc2c(CNc3ccc4oc(C5CC5)nc4c3)cc(=O)oc12 ZINC000046819995 1115532084 /nfs/dbraw/zinc/53/20/84/1115532084.db2.gz WSLJQKQQTWLJGB-UHFFFAOYSA-N -1 3 362.385 4.438 20 0 FIADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000061035492 1115756628 /nfs/dbraw/zinc/75/66/28/1115756628.db2.gz YWVYBMFLRDVVJM-UHFFFAOYSA-N -1 3 364.898 4.377 20 0 FIADHM CCCCCCNC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000061289042 1115817855 /nfs/dbraw/zinc/81/78/55/1115817855.db2.gz LGVYZPNQQTVKQN-UHFFFAOYSA-N -1 3 368.503 4.209 20 0 FIADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C)cc3)nc(=O)c2c1C ZINC000229927239 1115872958 /nfs/dbraw/zinc/87/29/58/1115872958.db2.gz LVZOZBBCPQXOEF-XYOKQWHBSA-N -1 3 374.849 4.125 20 0 FIADHM O=C(CCc1ccnc2ccccc12)Nc1ccc(Br)cc1[O-] ZINC000605657047 1115914751 /nfs/dbraw/zinc/91/47/51/1115914751.db2.gz REUJBPXWMPRFNX-UHFFFAOYSA-N -1 3 371.234 4.274 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)c1 ZINC000606343099 1115934516 /nfs/dbraw/zinc/93/45/16/1115934516.db2.gz AULNBUHDPHXZJS-UHFFFAOYSA-N -1 3 373.396 4.354 20 0 FIADHM Cc1cccc2c1CCN2C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000606531230 1115953340 /nfs/dbraw/zinc/95/33/40/1115953340.db2.gz IVOWJIYUBPSUOW-UHFFFAOYSA-N -1 3 359.425 4.483 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2c(s1)-c1ccccc1OC2 ZINC000606537393 1115953904 /nfs/dbraw/zinc/95/39/04/1115953904.db2.gz NYWKLKAIWHAQJB-UHFFFAOYSA-N -1 3 355.390 4.082 20 0 FIADHM Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccc([O-])c(F)c2)c(C)c1 ZINC000606536652 1115954064 /nfs/dbraw/zinc/95/40/64/1115954064.db2.gz LLGFTUFEGKIFBN-UHFFFAOYSA-N -1 3 357.425 4.126 20 0 FIADHM [O-]c1c(F)cc(CN2CCCC3(CC(F)C3)CC2)cc1Br ZINC001232636326 1115955193 /nfs/dbraw/zinc/95/51/93/1115955193.db2.gz ZFIMHDCYUHGBEU-UHFFFAOYSA-N -1 3 360.242 4.398 20 0 FIADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606693230 1115962445 /nfs/dbraw/zinc/96/24/45/1115962445.db2.gz YLRBDOBJHPCTAQ-OAHLLOKOSA-N -1 3 350.821 4.005 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000606717915 1115965566 /nfs/dbraw/zinc/96/55/66/1115965566.db2.gz GODGXKZACNBYDA-UHFFFAOYSA-N -1 3 362.404 4.424 20 0 FIADHM CN(Cc1c(Cl)cccc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606719038 1115965598 /nfs/dbraw/zinc/96/55/98/1115965598.db2.gz DBLSEFWZPHFDGT-UHFFFAOYSA-N -1 3 357.212 4.180 20 0 FIADHM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606750494 1115967609 /nfs/dbraw/zinc/96/76/09/1115967609.db2.gz ZBRANEMHEPOCKM-UHFFFAOYSA-N -1 3 372.440 4.033 20 0 FIADHM O=S(=O)([N-]CC1(c2cccc(F)c2)CC1)c1c(Cl)cccc1Cl ZINC000606908878 1115981714 /nfs/dbraw/zinc/98/17/14/1115981714.db2.gz SWOYVUNWBOIGOX-UHFFFAOYSA-N -1 3 374.264 4.143 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000606916606 1115983008 /nfs/dbraw/zinc/98/30/08/1115983008.db2.gz NFXPCBAHXBHXMP-LAQFHYBYSA-N -1 3 354.454 4.104 20 0 FIADHM CCC[C@@]1(C)CCCN(Cn2c(Cc3cccs3)n[n-]c2=S)C1 ZINC000173535417 1116072787 /nfs/dbraw/zinc/07/27/87/1116072787.db2.gz JVDVFKMFJJZERC-KRWDZBQOSA-N -1 3 350.557 4.453 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCSc2ccccc21 ZINC000607888524 1116073390 /nfs/dbraw/zinc/07/33/90/1116073390.db2.gz FQFQANBJTJWQOB-LBPRGKRZSA-N -1 3 364.264 4.373 20 0 FIADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cccc(F)c1Cl ZINC000608359998 1116101912 /nfs/dbraw/zinc/10/19/12/1116101912.db2.gz ZZRZRMJVEDNCMC-UHFFFAOYSA-N -1 3 350.180 4.197 20 0 FIADHM CC(C)CCOc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000608613242 1116117694 /nfs/dbraw/zinc/11/76/94/1116117694.db2.gz VRIXCAXXVSEHPQ-UHFFFAOYSA-N -1 3 350.418 4.205 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cnc2ccccc2c1C(F)(F)F ZINC000534701806 1116227300 /nfs/dbraw/zinc/22/73/00/1116227300.db2.gz WSXLUCUBRAIUAJ-UHFFFAOYSA-N -1 3 350.271 4.351 20 0 FIADHM O=C(CSCc1ccc(Br)cc1)Nc1cccc([O-])c1F ZINC000534946570 1116255031 /nfs/dbraw/zinc/25/50/31/1116255031.db2.gz CURFQIZWMLRMPR-UHFFFAOYSA-N -1 3 370.243 4.166 20 0 FIADHM CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000535420420 1116304139 /nfs/dbraw/zinc/30/41/39/1116304139.db2.gz NBCCCRLXIJOECV-UHFFFAOYSA-N -1 3 365.886 4.416 20 0 FIADHM CSc1ccccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000539707101 1116367973 /nfs/dbraw/zinc/36/79/73/1116367973.db2.gz YITPTEGLAUDFQI-UHFFFAOYSA-N -1 3 352.253 4.058 20 0 FIADHM Cc1cc([C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc2Cl)ccc1F ZINC000462893181 1117842452 /nfs/dbraw/zinc/84/24/52/1117842452.db2.gz CFCSYOOVWGHQAI-KRWDZBQOSA-N -1 3 367.815 4.029 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(F)c(Cl)cc2Cl)o1 ZINC000540204437 1117933293 /nfs/dbraw/zinc/93/32/93/1117933293.db2.gz CRDPYLHIDTWCNP-QMMMGPOBSA-N -1 3 352.214 4.073 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000540213810 1117939913 /nfs/dbraw/zinc/93/99/13/1117939913.db2.gz YKWFFSWRJDITHD-RYUDHWBXSA-N -1 3 361.385 4.077 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000540213809 1117939970 /nfs/dbraw/zinc/93/99/70/1117939970.db2.gz YKWFFSWRJDITHD-NWDGAFQWSA-N -1 3 361.385 4.077 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)c(C)c1C ZINC000540295603 1117973731 /nfs/dbraw/zinc/97/37/31/1117973731.db2.gz JTRVXOPBGHNUMR-UHFFFAOYSA-N -1 3 351.493 4.143 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3sc(C4CCCCC4)nc3C)n[n-]2)o1 ZINC000540469687 1118084416 /nfs/dbraw/zinc/08/44/16/1118084416.db2.gz DSJHTPOYRWNFGN-UHFFFAOYSA-N -1 3 371.466 4.438 20 0 FIADHM Cc1ccc([O-])c(NC(=O)c2ccc(Oc3ccccc3Cl)nc2)n1 ZINC000541515123 1118536205 /nfs/dbraw/zinc/53/62/05/1118536205.db2.gz WCQLDPOKYYOQMW-UHFFFAOYSA-N -1 3 355.781 4.189 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1sccc1OC(F)F ZINC000541516778 1118545791 /nfs/dbraw/zinc/54/57/91/1118545791.db2.gz YSGNODXLDGFVRL-UHFFFAOYSA-N -1 3 370.768 4.040 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC[C@@H](C)CC)nc(=O)c2c1C ZINC000464795887 1118701066 /nfs/dbraw/zinc/70/10/66/1118701066.db2.gz SCYMZYLUIRDIOI-ONGXEEELSA-N -1 3 368.524 4.310 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c1F ZINC000541944948 1118710153 /nfs/dbraw/zinc/71/01/53/1118710153.db2.gz MPCPFPOSRGBROB-CYBMUJFWSA-N -1 3 361.360 4.106 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000465182841 1118871296 /nfs/dbraw/zinc/87/12/96/1118871296.db2.gz IIIXRTNGZAWASE-UHFFFAOYSA-N -1 3 360.404 4.325 20 0 FIADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n1 ZINC000542446840 1118933786 /nfs/dbraw/zinc/93/37/86/1118933786.db2.gz UQVHQCSZMLOPKA-UHFFFAOYSA-N -1 3 351.387 4.218 20 0 FIADHM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(C(C)(C)C)s3)s2)cc1 ZINC000173734180 1119066929 /nfs/dbraw/zinc/06/69/29/1119066929.db2.gz MEBRRJVBHCUGJF-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM Cc1nc(CCCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cs1 ZINC000152151977 1119131880 /nfs/dbraw/zinc/13/18/80/1119131880.db2.gz FDOGUSKXHCONMD-UHFFFAOYSA-N -1 3 358.385 4.041 20 0 FIADHM CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc([O-])cc(F)c1 ZINC000186169186 1119710881 /nfs/dbraw/zinc/71/08/81/1119710881.db2.gz YNOIYKULJQBMPN-UHFFFAOYSA-N -1 3 371.239 4.299 20 0 FIADHM Cc1nc(S(=O)(=O)[C@H](C)c2ncc(C(C)(C)C)o2)[n-]c1-c1ccccc1 ZINC000186841694 1119752146 /nfs/dbraw/zinc/75/21/46/1119752146.db2.gz OQAYNXAHVMWUPF-CYBMUJFWSA-N -1 3 373.478 4.206 20 0 FIADHM CC(C)Cc1nc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cs1 ZINC000152587582 1119853759 /nfs/dbraw/zinc/85/37/59/1119853759.db2.gz FOGCSYNAEZVHKU-AATRIKPKSA-N -1 3 360.464 4.209 20 0 FIADHM COCc1ccsc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000191845763 1119998382 /nfs/dbraw/zinc/99/83/82/1119998382.db2.gz XJBWHIXVJHCDQQ-UHFFFAOYSA-N -1 3 371.443 4.412 20 0 FIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000192716941 1120077390 /nfs/dbraw/zinc/07/73/90/1120077390.db2.gz NHGLSCLOEMGFMQ-UHFFFAOYSA-N -1 3 350.871 4.049 20 0 FIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ncccc1Br ZINC000193807055 1120197536 /nfs/dbraw/zinc/19/75/36/1120197536.db2.gz MBRBBJWEUYYPBB-UHFFFAOYSA-N -1 3 358.195 4.060 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)c(C)c1 ZINC000227870214 1120406608 /nfs/dbraw/zinc/40/66/08/1120406608.db2.gz YNZYLHYQRDBBBV-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000053457050 1120561462 /nfs/dbraw/zinc/56/14/62/1120561462.db2.gz MDZYEEZRSFRRSI-JOCHJYFZSA-N -1 3 372.399 4.187 20 0 FIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1cc(Cl)ccc1F ZINC000914890149 1120628804 /nfs/dbraw/zinc/62/88/04/1120628804.db2.gz CSAMYAQYWQMQGP-MRVPVSSYSA-N -1 3 366.801 4.206 20 0 FIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000914891887 1120629828 /nfs/dbraw/zinc/62/98/28/1120629828.db2.gz QWGRMLXTNKEHRP-STQMWFEESA-N -1 3 368.458 4.143 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000914892251 1120629953 /nfs/dbraw/zinc/62/99/53/1120629953.db2.gz WEFINZMVSIKRJJ-DYVFJYSZSA-N -1 3 370.474 4.288 20 0 FIADHM COc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1NC(=O)OC(C)(C)C ZINC000915079345 1120786105 /nfs/dbraw/zinc/78/61/05/1120786105.db2.gz WEXBTZXTPHJMTI-UHFFFAOYSA-N -1 3 372.421 4.309 20 0 FIADHM CCOc1ccc(C2=CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000495982178 1121030526 /nfs/dbraw/zinc/03/05/26/1121030526.db2.gz NDMSYRDXDBMIQM-UHFFFAOYSA-N -1 3 357.837 4.374 20 0 FIADHM CCO[C@@H](C)c1nc(CO[N-]C(=O)Cc2cccc3ccccc32)cs1 ZINC000153719940 1121053454 /nfs/dbraw/zinc/05/34/54/1121053454.db2.gz WDZDHHNFCPICDE-AWEZNQCLSA-N -1 3 370.474 4.184 20 0 FIADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(CC(C)C)s3)s2)o1 ZINC000041759494 1121142741 /nfs/dbraw/zinc/14/27/41/1121142741.db2.gz DUNXUBNZPMSTQT-UHFFFAOYSA-N -1 3 362.480 4.322 20 0 FIADHM COc1ccccc1OCc1ccc(C(=O)[N-]c2c(F)cccc2F)o1 ZINC000042199795 1121152096 /nfs/dbraw/zinc/15/20/96/1121152096.db2.gz LJDHQZNYWCMYEA-UHFFFAOYSA-N -1 3 359.328 4.398 20 0 FIADHM CCCCOc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(C)c1 ZINC000054140282 1121179624 /nfs/dbraw/zinc/17/96/24/1121179624.db2.gz WTHTXPSXGQNOEJ-UHFFFAOYSA-N -1 3 350.418 4.268 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1ccncc1)Cc1cccnc1 ZINC000472032257 1121180938 /nfs/dbraw/zinc/18/09/38/1121180938.db2.gz PHHWDNSAWKABJJ-UHFFFAOYSA-N -1 3 369.424 4.178 20 0 FIADHM O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1cc([O-])c2ccccc2c1 ZINC000472154797 1121184789 /nfs/dbraw/zinc/18/47/89/1121184789.db2.gz KNEYEWAICAZRDY-UHFFFAOYSA-N -1 3 364.792 4.236 20 0 FIADHM CCOc1cc([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)cc(Cl)c1[O-] ZINC000054440267 1121197768 /nfs/dbraw/zinc/19/77/68/1121197768.db2.gz REFHRXPLJPXRLM-INIZCTEOSA-N -1 3 367.232 4.294 20 0 FIADHM Cc1ccc(Oc2ccc(NC([O-])=NO[C@@H]3CCCCO3)cn2)cc1C ZINC000763264991 1121308992 /nfs/dbraw/zinc/30/89/92/1121308992.db2.gz BPRCWOWAZQKOHV-GOSISDBHSA-N -1 3 357.410 4.070 20 0 FIADHM Cc1ccc(Oc2ccc(NC(=O)[N-]O[C@@H]3CCCCO3)cn2)cc1C ZINC000763264991 1121309000 /nfs/dbraw/zinc/30/90/00/1121309000.db2.gz BPRCWOWAZQKOHV-GOSISDBHSA-N -1 3 357.410 4.070 20 0 FIADHM COc1ccccc1Oc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000763268922 1121310878 /nfs/dbraw/zinc/31/08/78/1121310878.db2.gz YRWFVSFNPLTPEV-GOSISDBHSA-N -1 3 358.394 4.067 20 0 FIADHM COc1ccccc1Oc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000763268922 1121310886 /nfs/dbraw/zinc/31/08/86/1121310886.db2.gz YRWFVSFNPLTPEV-GOSISDBHSA-N -1 3 358.394 4.067 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1 ZINC000032631242 1121317093 /nfs/dbraw/zinc/31/70/93/1121317093.db2.gz DXJIWANSMHFZSC-OAQYLSRUSA-N -1 3 362.454 4.451 20 0 FIADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)c([O-])c1 ZINC000059779379 1121451994 /nfs/dbraw/zinc/45/19/94/1121451994.db2.gz PPVUCSMDJPFMMU-INIZCTEOSA-N -1 3 362.429 4.166 20 0 FIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)c(F)cc1Br ZINC000123456646 1121573246 /nfs/dbraw/zinc/57/32/46/1121573246.db2.gz UTTBRENEQHVWQX-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM Cc1conc1[N-]C(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000123896261 1121643819 /nfs/dbraw/zinc/64/38/19/1121643819.db2.gz OZZMUCCQNZMBCM-UHFFFAOYSA-N -1 3 370.253 4.183 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(COc3ccccc3)CC2)c([O-])c1 ZINC000065675863 1121697123 /nfs/dbraw/zinc/69/71/23/1121697123.db2.gz CRANDQXKECUVIM-UHFFFAOYSA-N -1 3 353.462 4.447 20 0 FIADHM CC(C)(c1nnc([N-]C(=O)c2scnc2C2CC2)s1)c1ccccc1 ZINC000124599421 1121707494 /nfs/dbraw/zinc/70/74/94/1121707494.db2.gz UPBMAEFCUSCVIK-UHFFFAOYSA-N -1 3 370.503 4.450 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000064374590 1121760756 /nfs/dbraw/zinc/76/07/56/1121760756.db2.gz HOWZLRXZGRZVGB-UHFFFAOYSA-N -1 3 362.838 4.006 20 0 FIADHM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000125286868 1121764690 /nfs/dbraw/zinc/76/46/90/1121764690.db2.gz ILFCOYLYEGWCIY-UHFFFAOYSA-N -1 3 359.735 4.230 20 0 FIADHM Cc1noc(C)c1COc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145605 1121770001 /nfs/dbraw/zinc/77/00/01/1121770001.db2.gz UULZXBAOEMWMDC-UHFFFAOYSA-N -1 3 372.808 4.482 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1SCCc2ccccc21 ZINC000125340968 1121770521 /nfs/dbraw/zinc/77/05/21/1121770521.db2.gz DQJOLRZASAOMOH-HNNXBMFYSA-N -1 3 353.365 4.380 20 0 FIADHM Cc1sc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1-c1ccc(F)cc1 ZINC000125443733 1121780071 /nfs/dbraw/zinc/78/00/71/1121780071.db2.gz SAHDSODZZQNDPO-UHFFFAOYSA-N -1 3 370.331 4.252 20 0 FIADHM Cc1sc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1-c1ccc(F)cc1 ZINC000125443733 1121780079 /nfs/dbraw/zinc/78/00/79/1121780079.db2.gz SAHDSODZZQNDPO-UHFFFAOYSA-N -1 3 370.331 4.252 20 0 FIADHM C[C@@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H]1C ZINC000072869597 1121907690 /nfs/dbraw/zinc/90/76/90/1121907690.db2.gz PYISNRZHAYYNCW-VXGBXAGGSA-N -1 3 357.454 4.291 20 0 FIADHM O[C@H](CSc1nnc([N-]c2ccccc2F)s1)c1cccc(F)c1 ZINC000051183537 1122020173 /nfs/dbraw/zinc/02/01/73/1122020173.db2.gz XYCCHDKPNLBTCN-CQSZACIVSA-N -1 3 365.430 4.386 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)cc1C ZINC000066814591 1122099144 /nfs/dbraw/zinc/09/91/44/1122099144.db2.gz MZRVIARVJZPWJN-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc2ccccc2s1 ZINC000765811839 1122100290 /nfs/dbraw/zinc/10/02/90/1122100290.db2.gz JKNTXEXUEOAUNH-SNVBAGLBSA-N -1 3 350.365 4.405 20 0 FIADHM O=C([N-]c1cc2c(cc1Cl)CCC2=O)c1scnc1C(F)(F)F ZINC001128038402 1122144757 /nfs/dbraw/zinc/14/47/57/1122144757.db2.gz XRAGDKXSMUHXMM-UHFFFAOYSA-N -1 3 360.744 4.197 20 0 FIADHM Cc1ccc(-c2noc(Cc3nc(=O)c4c5ccccc5sc4[n-]3)n2)cc1 ZINC000917268442 1122255226 /nfs/dbraw/zinc/25/52/26/1122255226.db2.gz WVBMBAVQGAWSFT-UHFFFAOYSA-N -1 3 374.425 4.499 20 0 FIADHM O=C(Cc1cccc2ccccc21)[N-]OCc1nc(C(F)(F)F)cs1 ZINC000154348949 1122256886 /nfs/dbraw/zinc/25/68/86/1122256886.db2.gz NZPJDBZTEBKBES-UHFFFAOYSA-N -1 3 366.364 4.106 20 0 FIADHM COc1cccc2cc(C(=O)[N-]c3nc(Cc4ccccc4)ns3)oc21 ZINC000107197044 1122262813 /nfs/dbraw/zinc/26/28/13/1122262813.db2.gz XVFHNAJKARMIAX-UHFFFAOYSA-N -1 3 365.414 4.136 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)n[n-]2)o1 ZINC000497736023 1122379527 /nfs/dbraw/zinc/37/95/27/1122379527.db2.gz LHUFLTCHUUDCKZ-KRWDZBQOSA-N -1 3 366.421 4.012 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cc2ccccc2o1 ZINC000497746453 1122395104 /nfs/dbraw/zinc/39/51/04/1122395104.db2.gz SZNYZRWNXZWZBO-SNVBAGLBSA-N -1 3 353.802 4.265 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000497799667 1122417307 /nfs/dbraw/zinc/41/73/07/1122417307.db2.gz NDLIDAMJKGOPOK-YQVWRLOYSA-N -1 3 354.425 4.009 20 0 FIADHM CCOc1cc2c(cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1)O[C@H](C)C2 ZINC000917734408 1122421494 /nfs/dbraw/zinc/42/14/94/1122421494.db2.gz SDXIEXNTEAJRPY-BOLDSZDNSA-N -1 3 373.474 4.130 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC)cc2)cc1 ZINC000917751294 1122427591 /nfs/dbraw/zinc/42/75/91/1122427591.db2.gz WQGSJDLJQCCIQQ-ZDUSSCGKSA-N -1 3 362.451 4.179 20 0 FIADHM CC(C)c1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1ccc(F)cc1 ZINC000129071986 1122521956 /nfs/dbraw/zinc/52/19/56/1122521956.db2.gz GAYJQAMWMAZFEL-UHFFFAOYSA-N -1 3 357.360 4.232 20 0 FIADHM CCc1c[nH]c(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000129191048 1122553491 /nfs/dbraw/zinc/55/34/91/1122553491.db2.gz XNRJSZRDZWJDBW-SECBINFHSA-N -1 3 372.475 4.383 20 0 FIADHM CCc1ccc(-c2nc(CC(=O)Nc3cccc([O-])c3F)cs2)cc1 ZINC000129352845 1122573346 /nfs/dbraw/zinc/57/33/46/1122573346.db2.gz OZGRGAXPUPRALK-UHFFFAOYSA-N -1 3 356.422 4.398 20 0 FIADHM CCCN(CCC)C(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129738325 1122691170 /nfs/dbraw/zinc/69/11/70/1122691170.db2.gz SDJYDMSZVQWFBV-UHFFFAOYSA-N -1 3 358.413 4.046 20 0 FIADHM CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000556321609 1122802603 /nfs/dbraw/zinc/80/26/03/1122802603.db2.gz DDLNVWNSUQFXNL-QGZVFWFLSA-N -1 3 367.367 4.410 20 0 FIADHM CCOc1cccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000556321532 1122802635 /nfs/dbraw/zinc/80/26/35/1122802635.db2.gz AUAWJAJWCQKBBQ-QGZVFWFLSA-N -1 3 367.367 4.410 20 0 FIADHM COc1ccc(C[C@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)cc1 ZINC000556341006 1122822293 /nfs/dbraw/zinc/82/22/93/1122822293.db2.gz IEOZMOQQSKHXLT-OAHLLOKOSA-N -1 3 359.853 4.149 20 0 FIADHM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(C(F)(F)F)ccc1Cl ZINC000033657231 1122845876 /nfs/dbraw/zinc/84/58/76/1122845876.db2.gz BCNYEKGCAJWCAD-UHFFFAOYSA-N -1 3 369.723 4.004 20 0 FIADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)c1ccco1 ZINC000556370921 1122847581 /nfs/dbraw/zinc/84/75/81/1122847581.db2.gz DCGFSJMDIHDZOB-OAHLLOKOSA-N -1 3 371.886 4.113 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1csc(C2CC2)n1 ZINC000194832547 1122903390 /nfs/dbraw/zinc/90/33/90/1122903390.db2.gz JNMOVHFXWKGLSC-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000556473393 1122907147 /nfs/dbraw/zinc/90/71/47/1122907147.db2.gz GUVAOXJXWNTMPA-UHFFFAOYSA-N -1 3 370.758 4.075 20 0 FIADHM CC[C@@H](C)Sc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(C)c1 ZINC000130980985 1122960801 /nfs/dbraw/zinc/96/08/01/1122960801.db2.gz PFDIBIJTYYJLMW-CYBMUJFWSA-N -1 3 373.522 4.157 20 0 FIADHM Cc1ccsc1-c1nsc([N-]C(=O)c2csc(C(C)C)n2)n1 ZINC000131838022 1123191184 /nfs/dbraw/zinc/19/11/84/1123191184.db2.gz MPXVXROOZAZCFW-UHFFFAOYSA-N -1 3 350.494 4.407 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)cc(Cl)c3)c2)n1 ZINC000132168320 1123225062 /nfs/dbraw/zinc/22/50/62/1123225062.db2.gz LYABMAGOCAOFAA-UHFFFAOYSA-N -1 3 367.836 4.213 20 0 FIADHM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000074513579 1123371010 /nfs/dbraw/zinc/37/10/10/1123371010.db2.gz XIRFOMSRGPJIBA-INIZCTEOSA-N -1 3 353.466 4.290 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)c([O-])c1 ZINC000920817896 1123523921 /nfs/dbraw/zinc/52/39/21/1123523921.db2.gz RDRUZYYBSJBMAJ-INIZCTEOSA-N -1 3 374.278 4.310 20 0 FIADHM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134121978 1123594465 /nfs/dbraw/zinc/59/44/65/1123594465.db2.gz QUJGUVGPXUEKNI-UHFFFAOYSA-N -1 3 352.287 4.213 20 0 FIADHM O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134224154 1123609493 /nfs/dbraw/zinc/60/94/93/1123609493.db2.gz AYJKRUIBGAUJFT-UHFFFAOYSA-N -1 3 361.266 4.194 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CC=CC2)cc1 ZINC000077738312 1123712092 /nfs/dbraw/zinc/71/20/92/1123712092.db2.gz AYOKDPUKWXBIDS-UHFFFAOYSA-N -1 3 370.474 4.009 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000135576589 1123774563 /nfs/dbraw/zinc/77/45/63/1123774563.db2.gz ZITYJPZCKGIZRE-UHFFFAOYSA-N -1 3 359.369 4.046 20 0 FIADHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000609767370 1123826076 /nfs/dbraw/zinc/82/60/76/1123826076.db2.gz AQCAQUNCXALZLB-MNOVXSKESA-N -1 3 368.351 4.254 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000136558461 1123908796 /nfs/dbraw/zinc/90/87/96/1123908796.db2.gz ATCPICMTSINXGQ-UHFFFAOYSA-N -1 3 362.505 4.102 20 0 FIADHM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(C(C)C)s3)s2)cc1 ZINC000079691949 1123916297 /nfs/dbraw/zinc/91/62/97/1123916297.db2.gz GSQTWTJATWDVBB-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000615840961 1124134664 /nfs/dbraw/zinc/13/46/64/1124134664.db2.gz GHJSWLNTGWJQHJ-VHSXEESVSA-N -1 3 366.177 4.462 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000615840959 1124134674 /nfs/dbraw/zinc/13/46/74/1124134674.db2.gz GHJSWLNTGWJQHJ-UWVGGRQHSA-N -1 3 366.177 4.462 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C ZINC000615958746 1124185734 /nfs/dbraw/zinc/18/57/34/1124185734.db2.gz KHNSDUIWRDIUNS-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM CN(Cc1ncc(Cl)n1C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000180292548 1124284412 /nfs/dbraw/zinc/28/44/12/1124284412.db2.gz BBLLCFZDEVOMIG-UHFFFAOYSA-N -1 3 359.857 4.036 20 0 FIADHM COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)cc(OC)c1[O-] ZINC000616329165 1124288188 /nfs/dbraw/zinc/28/81/88/1124288188.db2.gz UNENZIKVGSHPIU-ZWKOTPCHSA-N -1 3 369.461 4.208 20 0 FIADHM C[C@H]1CCc2c(sc3nc(-c4ccc(OC(F)F)cc4)[n-]c(=O)c32)C1 ZINC000060478920 1124568721 /nfs/dbraw/zinc/56/87/21/1124568721.db2.gz WMWRFKYJFBVRAM-VIFPVBQESA-N -1 3 362.401 4.378 20 0 FIADHM CCCCCc1nnc([N-]C(=O)c2cnc(-c3ccncc3)s2)s1 ZINC000172708690 1124834153 /nfs/dbraw/zinc/83/41/53/1124834153.db2.gz JNEAOGUGGVHPIE-UHFFFAOYSA-N -1 3 359.480 4.042 20 0 FIADHM CCCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000007055760 1124860050 /nfs/dbraw/zinc/86/00/50/1124860050.db2.gz FUJQCGGQFROEFY-UHFFFAOYSA-N -1 3 360.479 4.179 20 0 FIADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000649449804 1124897556 /nfs/dbraw/zinc/89/75/56/1124897556.db2.gz UDRWRBXCTIBKHD-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1cn(C)c2ccccc12 ZINC000542935499 1124909305 /nfs/dbraw/zinc/90/93/05/1124909305.db2.gz OEBVWTLHCHGPQF-NSHDSACASA-N -1 3 373.250 4.389 20 0 FIADHM O=c1cc(Nc2cc(F)c(OC(F)F)c(F)c2)[n-]n1-c1ccccc1 ZINC001212447281 1124927583 /nfs/dbraw/zinc/92/75/83/1124927583.db2.gz XFELKPIJRNBFNH-UHFFFAOYSA-N -1 3 353.275 4.201 20 0 FIADHM Cc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)Nc3ccccc3)s2)o1 ZINC000181516140 1124994507 /nfs/dbraw/zinc/99/45/07/1124994507.db2.gz YSTSJCFLVBCUHX-AWEZNQCLSA-N -1 3 350.399 4.278 20 0 FIADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000465975653 1125119391 /nfs/dbraw/zinc/11/93/91/1125119391.db2.gz CERYBEWCLVTXAI-MJGOQNOKSA-N -1 3 356.441 4.317 20 0 FIADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000465975651 1125119454 /nfs/dbraw/zinc/11/94/54/1125119454.db2.gz CERYBEWCLVTXAI-HKUYNNGSSA-N -1 3 356.441 4.317 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2)oc1C ZINC000618826318 1125289358 /nfs/dbraw/zinc/28/93/58/1125289358.db2.gz MJWKMSNHNDNPNH-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM Cc1c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nnn1-c1ccc(C)cc1 ZINC000108289186 209284135 /nfs/dbraw/zinc/28/41/35/209284135.db2.gz WOMGOOFCPBBPFI-UHFFFAOYSA-N -1 3 364.449 4.140 20 0 FIADHM COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c([O-])c1 ZINC000017960020 220219971 /nfs/dbraw/zinc/21/99/71/220219971.db2.gz JULOBPWHZZKEBQ-UHFFFAOYSA-N -1 3 368.458 4.030 20 0 FIADHM Cc1ccc(-c2csc(NC(=O)c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000040176866 208241950 /nfs/dbraw/zinc/24/19/50/208241950.db2.gz MWPVHSJVKDXHNE-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM Cc1ccc(-c2csc(NC(=O)c3cnc4ccccc4c3[O-])n2)cc1 ZINC000040176866 208241954 /nfs/dbraw/zinc/24/19/54/208241954.db2.gz MWPVHSJVKDXHNE-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM O=C(Cc1ccc([O-])cc1Cl)NC[C@H](c1ccccc1)C(F)(F)F ZINC000188642591 568033259 /nfs/dbraw/zinc/03/32/59/568033259.db2.gz BZNRKSOBHFAAMX-CQSZACIVSA-N -1 3 357.759 4.050 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CSc4ccccc43)nc2)n1 ZINC000522759276 568056916 /nfs/dbraw/zinc/05/69/16/568056916.db2.gz STRFHUCDTMAUFC-HNNXBMFYSA-N -1 3 350.447 4.066 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(OC(F)(F)F)cc1 ZINC000016100705 568128521 /nfs/dbraw/zinc/12/85/21/568128521.db2.gz IJEQTWQXHBGOQZ-UHFFFAOYSA-N -1 3 369.723 4.179 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2oc3c(ccc4ccccc34)c2C)[n-]1 ZINC000617876540 568165542 /nfs/dbraw/zinc/16/55/42/568165542.db2.gz UFVUHSBUYVMOLZ-UHFFFAOYSA-N -1 3 363.373 4.047 20 0 FIADHM O=C(c1cc(Br)ccc1Cl)N1CCCc2cccc([O-])c21 ZINC000063063926 568181665 /nfs/dbraw/zinc/18/16/65/568181665.db2.gz QCYJPCLSBZHXSD-UHFFFAOYSA-N -1 3 366.642 4.401 20 0 FIADHM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000604266518 568237409 /nfs/dbraw/zinc/23/74/09/568237409.db2.gz JXKRBEVWPRCIJY-WMLDXEAASA-N -1 3 372.465 4.162 20 0 FIADHM CSCc1c2ccccc2oc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000031564609 568333568 /nfs/dbraw/zinc/33/35/68/568333568.db2.gz VIKVRVMHVWTWKS-UHFFFAOYSA-N -1 3 373.381 4.418 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)c(C)cc1Br ZINC000604858880 568378930 /nfs/dbraw/zinc/37/89/30/568378930.db2.gz RNLDVULAXMKFSN-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM COc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1Br ZINC000604901663 568384873 /nfs/dbraw/zinc/38/48/73/568384873.db2.gz SZQNDLHFWDKRMC-UHFFFAOYSA-N -1 3 370.630 4.377 20 0 FIADHM Cc1c(C(=O)Nc2cc(Cl)cc(C)c2[O-])cnn1-c1ccccc1F ZINC000604902064 568385078 /nfs/dbraw/zinc/38/50/78/568385078.db2.gz CBBABTDRIGJDDF-UHFFFAOYSA-N -1 3 359.788 4.240 20 0 FIADHM Cc1csc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1Cl ZINC000365340330 568533059 /nfs/dbraw/zinc/53/30/59/568533059.db2.gz ASJPBDODQSPZAX-UHFFFAOYSA-N -1 3 359.838 4.021 20 0 FIADHM CSCCCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000478888297 1111910354 /nfs/dbraw/zinc/91/03/54/1111910354.db2.gz MGZKFZJEMLEVIA-UHFFFAOYSA-N -1 3 356.340 4.113 20 0 FIADHM COc1ccc(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c([O-])c1 ZINC000619124733 1125474314 /nfs/dbraw/zinc/47/43/14/1125474314.db2.gz AWUKWLCJMKGQTB-UHFFFAOYSA-N -1 3 373.293 4.184 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000078551600 1125560557 /nfs/dbraw/zinc/56/05/57/1125560557.db2.gz ZUNRECGGTAJLOH-UHFFFAOYSA-N -1 3 367.449 4.361 20 0 FIADHM COc1ccc(N[C@@H]2C[C@H](C)c3c2cccc3C)cc1[N-]S(C)(=O)=O ZINC000182733947 1125615233 /nfs/dbraw/zinc/61/52/33/1125615233.db2.gz BEDDVKWUTNFFOT-XJKSGUPXSA-N -1 3 360.479 4.036 20 0 FIADHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1 ZINC000182783153 1125624581 /nfs/dbraw/zinc/62/45/81/1125624581.db2.gz GRKLKCOJLNYLCZ-DOMZBBRYSA-N -1 3 355.825 4.210 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1OC ZINC000152705564 1125633466 /nfs/dbraw/zinc/63/34/66/1125633466.db2.gz AUWUITSABCZWAQ-UHFFFAOYSA-N -1 3 363.479 4.245 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc3cc(C)c(C)cc3o2)cc1 ZINC000683172285 1079807396 /nfs/dbraw/zinc/80/73/96/1079807396.db2.gz WLVJWNRRQVMNQJ-LJQANCHMSA-N -1 3 353.418 4.364 20 0 FIADHM CC[C@@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC ZINC000683173072 1079808105 /nfs/dbraw/zinc/80/81/05/1079808105.db2.gz JKUUBFMUHNBNPJ-QVKFZJNVSA-N -1 3 371.477 4.405 20 0 FIADHM Cc1ccc([O-])c(CN2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000430221844 1080018186 /nfs/dbraw/zinc/01/81/86/1080018186.db2.gz UMQYIKYOTMTWQT-ACJLOTCBSA-N -1 3 366.383 4.076 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000274788865 1080043593 /nfs/dbraw/zinc/04/35/93/1080043593.db2.gz BPCWYXMDKADTBF-MRXNPFEDSA-N -1 3 363.801 4.107 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000274788865 1080043603 /nfs/dbraw/zinc/04/36/03/1080043603.db2.gz BPCWYXMDKADTBF-MRXNPFEDSA-N -1 3 363.801 4.107 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000510113980 1080064359 /nfs/dbraw/zinc/06/43/59/1080064359.db2.gz SHWCMSPVYDKRCF-UHFFFAOYSA-N -1 3 368.436 4.486 20 0 FIADHM C[C@@H]1CCN(C)c2ccccc2N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000471221807 1080380802 /nfs/dbraw/zinc/38/08/02/1080380802.db2.gz XVOMWVIYSVMZHH-CQSZACIVSA-N -1 3 374.444 4.317 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c(C)c1 ZINC000047454424 1080523726 /nfs/dbraw/zinc/52/37/26/1080523726.db2.gz YEZJJKFYWJJLIR-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)c1 ZINC000080953865 1080542700 /nfs/dbraw/zinc/54/27/00/1080542700.db2.gz ZAVQYHNXPZSOMW-UHFFFAOYSA-N -1 3 368.458 4.024 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1ccccc1Oc1cccc(F)c1 ZINC000471248648 1080576415 /nfs/dbraw/zinc/57/64/15/1080576415.db2.gz CRHZMQTYULURKO-UHFFFAOYSA-N -1 3 353.353 4.040 20 0 FIADHM COc1ccccc1-c1nc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000652499546 1080834327 /nfs/dbraw/zinc/83/43/27/1080834327.db2.gz AZPMSIQDVMOYPI-CQSZACIVSA-N -1 3 374.506 4.142 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3[C@H](C)[C@@H]3c3ccccc3)c2)n1 ZINC000430399987 1080892271 /nfs/dbraw/zinc/89/22/71/1080892271.db2.gz MNNPUWQQQSFZBJ-XMDBHEJHSA-N -1 3 373.456 4.400 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2csc(Cl)c2)[nH][n-]1 ZINC000471314483 1080950666 /nfs/dbraw/zinc/95/06/66/1080950666.db2.gz MUUVFFKIXBTMSV-UHFFFAOYSA-N -1 3 368.245 4.128 20 0 FIADHM Cc1ccc(CC(=O)[N-]OCc2ncc(-c3cccc(Cl)c3)o2)cc1 ZINC000177579711 1081229221 /nfs/dbraw/zinc/22/92/21/1081229221.db2.gz ATIGVEYIFIBFIF-UHFFFAOYSA-N -1 3 356.809 4.094 20 0 FIADHM Cc1ccc(CC(=O)[N-]OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000177578080 1081229475 /nfs/dbraw/zinc/22/94/75/1081229475.db2.gz ZUYFYPNQPMVJOZ-UHFFFAOYSA-N -1 3 374.440 4.038 20 0 FIADHM O=C(Cc1csc(Cc2ccccc2)n1)Nc1c([O-])cccc1Cl ZINC000579985410 1081372932 /nfs/dbraw/zinc/37/29/32/1081372932.db2.gz VONRHRBQQYSTSA-UHFFFAOYSA-N -1 3 358.850 4.274 20 0 FIADHM O=C([O-])c1cc(CN2CCC(Cc3ccc(F)c(F)c3)CC2)cs1 ZINC000580206170 1081749612 /nfs/dbraw/zinc/74/96/12/1081749612.db2.gz SOABSZBERDYQGG-UHFFFAOYSA-N -1 3 351.418 4.179 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc4ccccc4nc3C)[nH][n-]2)c1 ZINC000580372487 1081907522 /nfs/dbraw/zinc/90/75/22/1081907522.db2.gz HANJWIOXSAWMDZ-UHFFFAOYSA-N -1 3 356.429 4.224 20 0 FIADHM Cc1cc(C)cc(C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c1 ZINC000891291064 1081984451 /nfs/dbraw/zinc/98/44/51/1081984451.db2.gz HRDYTFXMALWTSM-UHFFFAOYSA-N -1 3 360.457 4.165 20 0 FIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780367232 1082078131 /nfs/dbraw/zinc/07/81/31/1082078131.db2.gz XJNJJGRLDDCNPW-UHFFFAOYSA-N -1 3 366.433 4.334 20 0 FIADHM O=C(CCc1cccc(Br)c1)Nc1c([O-])cccc1Cl ZINC000580678647 1082080549 /nfs/dbraw/zinc/08/05/49/1082080549.db2.gz NBQQYPXMNACLSL-UHFFFAOYSA-N -1 3 354.631 4.379 20 0 FIADHM O=C([O-])C[C@H]1CSCCN1[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000580777940 1082133259 /nfs/dbraw/zinc/13/32/59/1082133259.db2.gz AGKWWUOVXKWPFK-HKUYNNGSSA-N -1 3 361.894 4.322 20 0 FIADHM Cc1sc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)nc1C(C)C ZINC000684058824 1082147075 /nfs/dbraw/zinc/14/70/75/1082147075.db2.gz UBRRRCJDAAFDFC-UHFFFAOYSA-N -1 3 358.385 4.481 20 0 FIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(-c2ccccc2C)nn1 ZINC001125475057 1082148913 /nfs/dbraw/zinc/14/89/13/1082148913.db2.gz LEQXFUPGBLDRMZ-UHFFFAOYSA-N -1 3 358.854 4.203 20 0 FIADHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1ccc(C(F)(F)F)cc1C ZINC000785032167 1082291437 /nfs/dbraw/zinc/29/14/37/1082291437.db2.gz BFYQMMXXLFVNQW-UHFFFAOYSA-N -1 3 358.310 4.125 20 0 FIADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000064957768 1082324755 /nfs/dbraw/zinc/32/47/55/1082324755.db2.gz DKMFLNYLAJBUQR-SSDOTTSWSA-N -1 3 356.321 4.464 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000581255783 1082408497 /nfs/dbraw/zinc/40/84/97/1082408497.db2.gz IIQOABPKLBEESQ-YVEFUNNKSA-N -1 3 351.780 4.233 20 0 FIADHM O=C(OCc1ccccc1Oc1cccnc1)c1cc(-c2ccco2)[n-]n1 ZINC000728324038 1082415928 /nfs/dbraw/zinc/41/59/28/1082415928.db2.gz VYRPKQRZCHQDPI-UHFFFAOYSA-N -1 3 361.357 4.214 20 0 FIADHM O=C(OCc1ccccc1Oc1cccnc1)c1cc(-c2ccco2)n[n-]1 ZINC000728324038 1082415935 /nfs/dbraw/zinc/41/59/35/1082415935.db2.gz VYRPKQRZCHQDPI-UHFFFAOYSA-N -1 3 361.357 4.214 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COC[C@H]4CCCO4)nc(=O)c23)c(C)c1 ZINC000656491348 1082478107 /nfs/dbraw/zinc/47/81/07/1082478107.db2.gz MCBRZCBIOREKKK-CQSZACIVSA-N -1 3 370.474 4.376 20 0 FIADHM O=C(c1ccc([O-])cc1)C1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000124041650 1082564120 /nfs/dbraw/zinc/56/41/20/1082564120.db2.gz FBYCXOVNLHKFTR-UHFFFAOYSA-N -1 3 356.491 4.211 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2Br)[C@@H]2CCCC[C@H]12 ZINC000656765210 1082757902 /nfs/dbraw/zinc/75/79/02/1082757902.db2.gz MLXPBLLHBWZJQC-IIAWOOMASA-N -1 3 370.262 4.054 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@H]2CCCC[C@H]12 ZINC000656765193 1082757957 /nfs/dbraw/zinc/75/79/57/1082757957.db2.gz MKTMRKVTRUIYQL-OAGGEKHMSA-N -1 3 362.520 4.337 20 0 FIADHM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1Cl ZINC000326305578 1082835973 /nfs/dbraw/zinc/83/59/73/1082835973.db2.gz FXUQFSVITDGOTK-UHFFFAOYSA-N -1 3 362.794 4.202 20 0 FIADHM C[C@@H](C(=O)Nc1cccc(NCc2c([O-])cccc2Cl)c1)n1cccn1 ZINC000156379158 1082912624 /nfs/dbraw/zinc/91/26/24/1082912624.db2.gz OOFOXRMBHBCLQN-ZDUSSCGKSA-N -1 3 370.840 4.054 20 0 FIADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(Br)c(Cl)c1 ZINC000261595902 1082915123 /nfs/dbraw/zinc/91/51/23/1082915123.db2.gz ITJBPHGOJSKCRG-DFBGVHRSSA-N -1 3 372.690 4.320 20 0 FIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000016122671 1083358549 /nfs/dbraw/zinc/35/85/49/1083358549.db2.gz OJIWQEUYGTUWID-UHFFFAOYSA-N -1 3 350.871 4.049 20 0 FIADHM Cn1cc2c(n1)CCC[C@H]2[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843591552 1083367077 /nfs/dbraw/zinc/36/70/77/1083367077.db2.gz SXTNCWCEQOBUQO-GFCCVEGCSA-N -1 3 374.218 4.013 20 0 FIADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000191435396 1083372208 /nfs/dbraw/zinc/37/22/08/1083372208.db2.gz ZDFQEQGYFAOXDC-QVQLBTGDSA-N -1 3 355.862 4.115 20 0 FIADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2nnc(-c3ccccc3)s2)s1 ZINC000510927836 1083470215 /nfs/dbraw/zinc/47/02/15/1083470215.db2.gz IKQSRLRLPHWHBW-UHFFFAOYSA-N -1 3 367.402 4.429 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1[O-] ZINC000081938564 1083527499 /nfs/dbraw/zinc/52/74/99/1083527499.db2.gz LKUTWODRCHRFKY-OAHLLOKOSA-N -1 3 350.418 4.116 20 0 FIADHM CCc1nc(NC(=O)c2c[n-]c3ccccc3c2=O)sc1C(C)(C)C ZINC000458277052 1083799663 /nfs/dbraw/zinc/79/96/63/1083799663.db2.gz QEHXTLFCUBRBOQ-UHFFFAOYSA-N -1 3 355.463 4.097 20 0 FIADHM CC(C)(C)c1nsc([N-]C(=O)c2csc(Cc3ccccc3)n2)n1 ZINC000068072443 1084038174 /nfs/dbraw/zinc/03/81/74/1084038174.db2.gz QJXJKDPDPRHBOY-UHFFFAOYSA-N -1 3 358.492 4.135 20 0 FIADHM O=C(Nc1ccccc1)[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000472051047 1084186658 /nfs/dbraw/zinc/18/66/58/1084186658.db2.gz CYOMVOSKOUYUDG-HXUWFJFHSA-N -1 3 350.393 4.001 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)ccc3Cl)c2)n1 ZINC000431703849 1084201097 /nfs/dbraw/zinc/20/10/97/1084201097.db2.gz ITYUQXJMIXOIOV-UHFFFAOYSA-N -1 3 371.799 4.456 20 0 FIADHM Cc1nc(Cl)sc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000177660718 1084204293 /nfs/dbraw/zinc/20/42/93/1084204293.db2.gz GRRMNTGDXPFNLA-UHFFFAOYSA-N -1 3 364.883 4.108 20 0 FIADHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc([O-])ccc1Cl ZINC000431729226 1084312429 /nfs/dbraw/zinc/31/24/29/1084312429.db2.gz CDDQDXWNZGWJQE-UHFFFAOYSA-N -1 3 367.836 4.498 20 0 FIADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000472109482 1084357347 /nfs/dbraw/zinc/35/73/47/1084357347.db2.gz ZWVCITWVXKVROZ-CQSZACIVSA-N -1 3 365.408 4.154 20 0 FIADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000071956631 1084393385 /nfs/dbraw/zinc/39/33/85/1084393385.db2.gz XSOCXYNXKXMXIJ-GWCFXTLKSA-N -1 3 364.239 4.442 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000332693800 1084785698 /nfs/dbraw/zinc/78/56/98/1084785698.db2.gz FQMPSAWRNPTWTB-IIYDPXPESA-N -1 3 354.454 4.104 20 0 FIADHM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000375684364 1084817271 /nfs/dbraw/zinc/81/72/71/1084817271.db2.gz FPCGGYUIHUCKNC-UHFFFAOYSA-N -1 3 351.406 4.022 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c(C)c1 ZINC000511119897 1084980763 /nfs/dbraw/zinc/98/07/63/1084980763.db2.gz JANSMKAISPDWIJ-UHFFFAOYSA-N -1 3 367.470 4.395 20 0 FIADHM CN(Cc1cccc(C(=O)[O-])c1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC000582425526 1084993210 /nfs/dbraw/zinc/99/32/10/1084993210.db2.gz BBKPISKZGQITMD-KRWDZBQOSA-N -1 3 358.869 4.139 20 0 FIADHM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3C)c2)n1 ZINC000175970857 1085049419 /nfs/dbraw/zinc/04/94/19/1085049419.db2.gz LCIDWVOYXGLPNU-UHFFFAOYSA-N -1 3 371.462 4.025 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)sc2C)s1 ZINC000563377419 1085086552 /nfs/dbraw/zinc/08/65/52/1085086552.db2.gz OKJTXUGPJYGFMR-UHFFFAOYSA-N -1 3 372.475 4.114 20 0 FIADHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cc([O-])ccc1Cl ZINC000277745056 1085244765 /nfs/dbraw/zinc/24/47/65/1085244765.db2.gz RFFIOFJRVNZLSO-AWEZNQCLSA-N -1 3 361.825 4.246 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC3CCCCC3)c2)n1 ZINC000040122443 1085360752 /nfs/dbraw/zinc/36/07/52/1085360752.db2.gz CWERPTAKFAYGFE-UHFFFAOYSA-N -1 3 353.466 4.298 20 0 FIADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000125651587 1085360956 /nfs/dbraw/zinc/36/09/56/1085360956.db2.gz HTEVWWGQLTVNQB-UHFFFAOYSA-N -1 3 366.689 4.273 20 0 FIADHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000125682722 1085368472 /nfs/dbraw/zinc/36/84/72/1085368472.db2.gz PYNBGVPBIGMCOV-UHFFFAOYSA-N -1 3 364.261 4.067 20 0 FIADHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc([O-])ccc1Cl ZINC000277788699 1085389954 /nfs/dbraw/zinc/38/99/54/1085389954.db2.gz UVVCZWWOJSUHFS-UHFFFAOYSA-N -1 3 361.825 4.103 20 0 FIADHM COc1ccc(-c2nnc(SCc3ncccc3[O-])n2CC(C)C)cc1 ZINC000563437619 1085397364 /nfs/dbraw/zinc/39/73/64/1085397364.db2.gz ASEIUEFPSUHFNJ-UHFFFAOYSA-N -1 3 370.478 4.003 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000531253827 1085422601 /nfs/dbraw/zinc/42/26/01/1085422601.db2.gz JIDDXIGHDDLVNP-NWDGAFQWSA-N -1 3 368.177 4.175 20 0 FIADHM CO[C@@H](C)CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000184088790 1085461899 /nfs/dbraw/zinc/46/18/99/1085461899.db2.gz XGFMJSCHBBUQBJ-LBPRGKRZSA-N -1 3 356.447 4.423 20 0 FIADHM [O-]c1cc(F)cc(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000473127275 1085702447 /nfs/dbraw/zinc/70/24/47/1085702447.db2.gz ODBMITIAKFUFSB-KRWDZBQOSA-N -1 3 355.331 4.124 20 0 FIADHM COc1cccc(C(F)(F)C(=O)[N-]C2(c3ccc(F)cc3F)CCC2)c1 ZINC001267186873 1085737065 /nfs/dbraw/zinc/73/70/65/1085737065.db2.gz LJJHHWVXTNJEKY-UHFFFAOYSA-N -1 3 367.342 4.261 20 0 FIADHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2C(F)(F)F)c(=O)[n-]1 ZINC000582810123 1085747668 /nfs/dbraw/zinc/74/76/68/1085747668.db2.gz VYYSNAFDKOLENQ-UHFFFAOYSA-N -1 3 373.762 4.043 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(CC(C)C)s2)c(-c2ccccc2)s1 ZINC000040326571 1085808360 /nfs/dbraw/zinc/80/83/60/1085808360.db2.gz XETJPNOZYYVAJQ-UHFFFAOYSA-N -1 3 358.492 4.421 20 0 FIADHM COC(=O)c1c(Nc2cc(F)c([O-])c(F)c2)scc1C(F)(F)F ZINC001213375084 1085830301 /nfs/dbraw/zinc/83/03/01/1085830301.db2.gz OUDHRAYGVAPLAI-UHFFFAOYSA-N -1 3 353.268 4.281 20 0 FIADHM C[C@@H](CN(C)Cc1c(Br)cccc1C(=O)[O-])c1ccccc1 ZINC000652409073 1086010381 /nfs/dbraw/zinc/01/03/81/1086010381.db2.gz CDYFUKHAMDDUQT-ZDUSSCGKSA-N -1 3 362.267 4.383 20 0 FIADHM Cc1cc(C)c(CN2CCCC[C@H]2CC(=O)[O-])c(OCc2ccccc2)n1 ZINC000652463324 1086078272 /nfs/dbraw/zinc/07/82/72/1086078272.db2.gz ABPUTVLAGWJWMD-IBGZPJMESA-N -1 3 368.477 4.107 20 0 FIADHM Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1-c1ccncc1 ZINC000427411447 1086205331 /nfs/dbraw/zinc/20/53/31/1086205331.db2.gz FLIWDOQPIVXBBU-UHFFFAOYSA-N -1 3 360.339 4.184 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(C(C)C)c2)cc1OC ZINC000663260248 1086340846 /nfs/dbraw/zinc/34/08/46/1086340846.db2.gz QLMDDSBAPOOKLN-SFHVURJKSA-N -1 3 357.450 4.133 20 0 FIADHM O=C([O-])c1ccc(OCCN2CC3CC2(c2ccccc2)C3)c(Cl)c1 ZINC000663318622 1086405642 /nfs/dbraw/zinc/40/56/42/1086405642.db2.gz WPWKDWGRDDAJIY-UHFFFAOYSA-N -1 3 357.837 4.038 20 0 FIADHM CC(C)[C@@H](O)[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000657748955 1086539041 /nfs/dbraw/zinc/53/90/41/1086539041.db2.gz XNLCUFONVIZFDV-ZWKOTPCHSA-N -1 3 364.283 4.003 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@]12CCCOC2 ZINC001648941056 1086719505 /nfs/dbraw/zinc/71/95/05/1086719505.db2.gz JHYQXIYAEJIQJT-JOCHJYFZSA-N -1 3 367.445 4.360 20 0 FIADHM Cc1ccc(C)c(NC(=S)N[N-]C(=O)c2cc(Cl)ccc2Cl)c1 ZINC000006573117 1086846526 /nfs/dbraw/zinc/84/65/26/1086846526.db2.gz ITYMZWPZBAVONO-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM O=C([N-]c1csc(-c2ccccc2)n1)c1ncsc1Br ZINC000685177224 1086905290 /nfs/dbraw/zinc/90/52/90/1086905290.db2.gz DQNUIKOOIGDTBZ-UHFFFAOYSA-N -1 3 366.265 4.281 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC2(CCC(O)CC2)CC1 ZINC000583883963 1087014015 /nfs/dbraw/zinc/01/40/15/1087014015.db2.gz PJTNLNQENXYKMN-INIZCTEOSA-N -1 3 372.292 4.136 20 0 FIADHM COc1cc(C(=O)N[C@H](C)c2ccc(F)c3ccccc32)cc(OC)c1[O-] ZINC000584134497 1087187639 /nfs/dbraw/zinc/18/76/39/1087187639.db2.gz OMJWPFOVKMCEOS-GFCCVEGCSA-N -1 3 369.392 4.193 20 0 FIADHM CN(Cc1ccc(C(=O)[O-])cc1Br)[C@@H]1CCc2ccccc2C1 ZINC000584177918 1087206576 /nfs/dbraw/zinc/20/65/76/1087206576.db2.gz SENIOBXMPUZRBX-QGZVFWFLSA-N -1 3 374.278 4.137 20 0 FIADHM O=C(Nc1ccccc1)[C@@H]([N-]c1nc(C2CC2)ns1)c1ccccc1 ZINC000092621002 1087447010 /nfs/dbraw/zinc/44/70/10/1087447010.db2.gz QEGVAKSRIQWZNP-INIZCTEOSA-N -1 3 350.447 4.207 20 0 FIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@@](C)(C(F)(F)F)O1 ZINC000505730254 1087586457 /nfs/dbraw/zinc/58/64/57/1087586457.db2.gz VXDMLGBDIXVTNG-SFHVURJKSA-N -1 3 367.367 4.117 20 0 FIADHM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1csc2ccccc21 ZINC000431620698 1087676749 /nfs/dbraw/zinc/67/67/49/1087676749.db2.gz AXXSPMIOHGNCJZ-OAHLLOKOSA-N -1 3 353.415 4.186 20 0 FIADHM COc1ccc(-c2nc(CN3CCCC[C@H]3CCC(=O)[O-])cs2)cc1 ZINC000424251794 1087871497 /nfs/dbraw/zinc/87/14/97/1087871497.db2.gz CUIGWGBBOAFXAA-INIZCTEOSA-N -1 3 360.479 4.038 20 0 FIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000186895909 1088034137 /nfs/dbraw/zinc/03/41/37/1088034137.db2.gz OPASVNCDUXGQGK-UHFFFAOYSA-N -1 3 357.410 4.299 20 0 FIADHM CSc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)ccc1Cl ZINC000414393184 1088135925 /nfs/dbraw/zinc/13/59/25/1088135925.db2.gz FTSYAZMZKRVCKM-UHFFFAOYSA-N -1 3 374.915 4.289 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(Cl)c1 ZINC000505113721 1088145586 /nfs/dbraw/zinc/14/55/86/1088145586.db2.gz LJAREGZKZKKWPJ-UHFFFAOYSA-N -1 3 365.760 4.348 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000505311275 1088343834 /nfs/dbraw/zinc/34/38/34/1088343834.db2.gz KIJKMRJYGNNKHO-UHFFFAOYSA-N -1 3 372.471 4.397 20 0 FIADHM COc1cc(C(=O)N2CCCC[C@H]2c2cccc(C)c2C)cc(OC)c1[O-] ZINC000513958449 1088551379 /nfs/dbraw/zinc/55/13/79/1088551379.db2.gz QUSPDQYZZOEYNA-SFHVURJKSA-N -1 3 369.461 4.394 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)c([O-])c1 ZINC000647650841 1088603414 /nfs/dbraw/zinc/60/34/14/1088603414.db2.gz YHBYAYUMDGCLRJ-XCLNPWKQSA-N -1 3 359.510 4.307 20 0 FIADHM O=c1nc([C@H]2CCCO2)[n-]c2sc3c(c21)CC[C@@H](c1ccccc1)C3 ZINC000178983921 1088725116 /nfs/dbraw/zinc/72/51/16/1088725116.db2.gz MMNPVNPCNJNHJE-UKRRQHHQSA-N -1 3 352.459 4.109 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc3ncsc3c2)no1)c1ccccc1Cl ZINC001211646953 1088749276 /nfs/dbraw/zinc/74/92/76/1088749276.db2.gz FBSNLEIFQDGSGL-UHFFFAOYSA-N -1 3 355.806 4.425 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2nc3ccccc3s2)C[C@H]1c1ccc(Cl)cc1 ZINC000659797420 1088873233 /nfs/dbraw/zinc/87/32/33/1088873233.db2.gz SXNAQXYBZDTEEK-LSDHHAIUSA-N -1 3 372.877 4.250 20 0 FIADHM O=C([O-])c1ccc(CN2CC[C@@]3(C2)CCc2ccccc2O3)cc1Cl ZINC000659795840 1088878824 /nfs/dbraw/zinc/87/88/24/1088878824.db2.gz GQANPDVOTDUAIF-HXUWFJFHSA-N -1 3 357.837 4.008 20 0 FIADHM O=C([O-])c1ccc(CN2CCC3(CCc4ccccc4O3)CC2)cc1Cl ZINC000659802452 1088886282 /nfs/dbraw/zinc/88/62/82/1088886282.db2.gz WUZRRSGHRLSKHY-UHFFFAOYSA-N -1 3 371.864 4.398 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC2(CCc3ccccc3O2)CC1 ZINC000659801912 1088887007 /nfs/dbraw/zinc/88/70/07/1088887007.db2.gz MJUCKTJCQOHPIT-LJQANCHMSA-N -1 3 371.864 4.326 20 0 FIADHM O=C([O-])[C@H](c1ccc(Br)cc1F)N1CCC[C@@H](C2CCC2)C1 ZINC000659801914 1088888372 /nfs/dbraw/zinc/88/83/72/1088888372.db2.gz MMGOGXUPKLUQAH-WBMJQRKESA-N -1 3 370.262 4.226 20 0 FIADHM CCc1cccc2c(C3CCN(C(=O)c4ccc(O)cc4[O-])CC3)c[nH]c21 ZINC000182160313 1088898917 /nfs/dbraw/zinc/89/89/17/1088898917.db2.gz XVBSMGTYMRFSIC-UHFFFAOYSA-N -1 3 364.445 4.161 20 0 FIADHM O=C(/C=C/Sc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000178298496 1089019056 /nfs/dbraw/zinc/01/90/56/1089019056.db2.gz XXQNWGCFVQWOND-CMDGGOBGSA-N -1 3 364.264 4.077 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c1 ZINC000549144755 1089019591 /nfs/dbraw/zinc/01/95/91/1089019591.db2.gz HLLZXYJIIZLMCQ-UHFFFAOYSA-N -1 3 366.339 4.098 20 0 FIADHM O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1sccc1-c1ccccc1 ZINC000024304108 1089720956 /nfs/dbraw/zinc/72/09/56/1089720956.db2.gz ZATLTVPQUVFGLO-UHFFFAOYSA-N -1 3 370.861 4.072 20 0 FIADHM CCN(Cc1ccc(F)cc1Br)C1CCC(C(=O)[O-])CC1 ZINC000565251586 1089750950 /nfs/dbraw/zinc/75/09/50/1089750950.db2.gz XZYCRLHZMJLEMG-UHFFFAOYSA-N -1 3 358.251 4.054 20 0 FIADHM C[C@]1(CCc2ccccc2)CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000435566785 1089757262 /nfs/dbraw/zinc/75/72/62/1089757262.db2.gz BOFIIOOZJDTKRX-NRFANRHFSA-N -1 3 356.441 4.086 20 0 FIADHM CCOC(=O)c1ccc2c(c1)nc(-c1cc(Cl)c([O-])c(OC)c1)n2CC ZINC000515162434 1089819380 /nfs/dbraw/zinc/81/93/80/1089819380.db2.gz LOERXOQXSQDCGD-UHFFFAOYSA-N -1 3 374.824 4.268 20 0 FIADHM COc1ccc(-c2csc3[n-]c(-c4cccs4)nc(=O)c23)cc1OC ZINC000046703082 1089946011 /nfs/dbraw/zinc/94/60/11/1089946011.db2.gz YPTWKSOWVIIZEP-UHFFFAOYSA-N -1 3 370.455 4.397 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000378037119 1090030066 /nfs/dbraw/zinc/03/00/66/1090030066.db2.gz FJTYAGJULHAHDI-XMMPIXPASA-N -1 3 372.468 4.038 20 0 FIADHM Cc1cc(Br)c(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417556962 1090924321 /nfs/dbraw/zinc/92/43/21/1090924321.db2.gz AITCXSCCVNWCNT-NHYWBVRUSA-N -1 3 368.296 4.371 20 0 FIADHM O=C([O-])CC[C@@H](NCc1csc(Br)c1)c1ccccc1 ZINC000417603480 1090936322 /nfs/dbraw/zinc/93/63/22/1090936322.db2.gz RJLXDCIYVXEDNI-CYBMUJFWSA-N -1 3 354.269 4.206 20 0 FIADHM Cc1cc(F)ccc1-c1ccc(CNC[C@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000417622774 1090942149 /nfs/dbraw/zinc/94/21/49/1090942149.db2.gz ITRWLNTYRLBMKX-NSHDSACASA-N -1 3 359.319 4.137 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@H]3C[C@H](C(=O)[O-])c4ccccc43)s2)o1 ZINC000417615655 1090944505 /nfs/dbraw/zinc/94/45/05/1090944505.db2.gz ACEOCCCWQURNEH-HOTGVXAUSA-N -1 3 354.431 4.114 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)c2ccccc21 ZINC000417628270 1090944755 /nfs/dbraw/zinc/94/47/55/1090944755.db2.gz VXTFPDQZJUZFBT-CZUORRHYSA-N -1 3 353.315 4.247 20 0 FIADHM CCCOc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OCC ZINC000417623259 1090946916 /nfs/dbraw/zinc/94/69/16/1090946916.db2.gz PJUUECJZALIOKV-RBUKOAKNSA-N -1 3 369.461 4.277 20 0 FIADHM Cc1ccc(-c2nc(CNCC[C@H](CC(=O)[O-])C(F)(F)F)cs2)cc1 ZINC000417645946 1090948948 /nfs/dbraw/zinc/94/89/48/1090948948.db2.gz DPNORBXYLOGOJF-CYBMUJFWSA-N -1 3 372.412 4.251 20 0 FIADHM CCOc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)cc(Cl)c1OC ZINC000417674338 1090959690 /nfs/dbraw/zinc/95/96/90/1090959690.db2.gz ZBSBTDCGUJTTCK-UHFFFAOYSA-N -1 3 363.841 4.044 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2csc(CCc3ccccc3)n2)s1 ZINC000500183275 1091087647 /nfs/dbraw/zinc/08/76/47/1091087647.db2.gz DRIFUIOLDWNRPR-UHFFFAOYSA-N -1 3 372.519 4.231 20 0 FIADHM Cc1ccc(OC(F)F)c(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468761762 1091201343 /nfs/dbraw/zinc/20/13/43/1091201343.db2.gz AHVCNQSVJDTXFN-UHFFFAOYSA-N -1 3 367.367 4.080 20 0 FIADHM CCn1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000004945263 1091344793 /nfs/dbraw/zinc/34/47/93/1091344793.db2.gz UNALRFRPKWKAOA-UHFFFAOYSA-N -1 3 361.854 4.146 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1 ZINC000047417279 1091713620 /nfs/dbraw/zinc/71/36/20/1091713620.db2.gz OMECPOGPWNTDDS-UHFFFAOYSA-N -1 3 360.460 4.010 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCc3coc4ccccc34)cc2)cc(=O)[n-]1 ZINC000512224992 1091934180 /nfs/dbraw/zinc/93/41/80/1091934180.db2.gz KHRMULYAWMXDHZ-UHFFFAOYSA-N -1 3 374.400 4.226 20 0 FIADHM CC[C@H](Sc1ncc(C(=O)OC)[n-]1)c1ccc(Br)cc1 ZINC000432665722 1092040436 /nfs/dbraw/zinc/04/04/36/1092040436.db2.gz IJVJRWWGNBFYSF-LBPRGKRZSA-N -1 3 355.257 4.202 20 0 FIADHM COC(=O)c1cnc(SCc2ccc(Oc3ccccc3)c(F)c2)[n-]1 ZINC000432672240 1092060136 /nfs/dbraw/zinc/06/01/36/1092060136.db2.gz XOZRFFZFHMMOCZ-UHFFFAOYSA-N -1 3 358.394 4.420 20 0 FIADHM O=c1ccnc(C(=Cc2cccc(OC(F)F)c2)Cc2ccccc2)[n-]1 ZINC000432703577 1092157286 /nfs/dbraw/zinc/15/72/86/1092157286.db2.gz CRSKWHZEQIAQKU-FOWTUZBSSA-N -1 3 354.356 4.155 20 0 FIADHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1Cl ZINC000432707952 1092163710 /nfs/dbraw/zinc/16/37/10/1092163710.db2.gz FDOXFTHSSVJOGC-FOWTUZBSSA-N -1 3 352.821 4.215 20 0 FIADHM CCOc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1F ZINC000432707651 1092164039 /nfs/dbraw/zinc/16/40/39/1092164039.db2.gz NWPGGKDNTUXGDH-GHRIWEEISA-N -1 3 350.393 4.091 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3c4ccccc4C[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000521175707 1092551791 /nfs/dbraw/zinc/55/17/91/1092551791.db2.gz QBKFGXALBSSPSW-YEJXKQKISA-N -1 3 374.444 4.213 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000521199962 1092575938 /nfs/dbraw/zinc/57/59/38/1092575938.db2.gz UEEAANPXSUECNV-GOSISDBHSA-N -1 3 374.444 4.179 20 0 FIADHM CC1(C)CCc2ccccc2[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000442976575 1092883586 /nfs/dbraw/zinc/88/35/86/1092883586.db2.gz MHIDKDMJEMWYDU-HXUWFJFHSA-N -1 3 360.457 4.362 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1F ZINC000512657458 1093090918 /nfs/dbraw/zinc/09/09/18/1093090918.db2.gz CZGFEZKKSVDKFM-MRXNPFEDSA-N -1 3 357.759 4.036 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1Cl ZINC000191226412 1093121505 /nfs/dbraw/zinc/12/15/05/1093121505.db2.gz KGLMLWCORVIOPV-UHFFFAOYSA-N -1 3 370.257 4.232 20 0 FIADHM O=C(Nc1cc(F)ccc1C(=O)Nc1cc(Cl)ccc1[O-])c1ccoc1 ZINC000067139091 1093122499 /nfs/dbraw/zinc/12/24/99/1093122499.db2.gz WVJZOZCMCKMVOK-UHFFFAOYSA-N -1 3 374.755 4.282 20 0 FIADHM O=S(=O)([N-][C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC001211763614 1093257760 /nfs/dbraw/zinc/25/77/60/1093257760.db2.gz GQSVYZIRFJHGKR-UONOGXRCSA-N -1 3 355.912 4.406 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](Cc4ccccc4)[C@@H]3C)nc2)n1 ZINC000474179567 1093554025 /nfs/dbraw/zinc/55/40/25/1093554025.db2.gz BDRCTTKNOSGAJC-WMZOPIPTSA-N -1 3 374.488 4.264 20 0 FIADHM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1c([O-])cccc1Cl ZINC000571469969 1093831220 /nfs/dbraw/zinc/83/12/20/1093831220.db2.gz JPGXQEXABFDTLB-UHFFFAOYSA-N -1 3 373.815 4.168 20 0 FIADHM CCc1ccc(-c2noc([C@@H](C)NCc3c(F)ccc([O-])c3F)n2)cc1 ZINC000513165274 1093966640 /nfs/dbraw/zinc/96/66/40/1093966640.db2.gz HPAHOVLKKFBAGW-LLVKDONJSA-N -1 3 359.376 4.134 20 0 FIADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(-c2ccccc2Cl)o1 ZINC000647798911 1093971909 /nfs/dbraw/zinc/97/19/09/1093971909.db2.gz PKLVBRKFJIUQNY-UHFFFAOYSA-N -1 3 353.765 4.434 20 0 FIADHM C[C@@H]1CCCCN1C(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000513251819 1094037565 /nfs/dbraw/zinc/03/75/65/1094037565.db2.gz FBKKMGWAGAWHDF-CYBMUJFWSA-N -1 3 360.404 4.297 20 0 FIADHM Cc1nc(-c2ccc(N(C)Cc3cc(Cl)ccc3F)nc2)[n-]c(=O)c1C ZINC000433790240 1094102767 /nfs/dbraw/zinc/10/27/67/1094102767.db2.gz VAVAOWYUEHEHAG-UHFFFAOYSA-N -1 3 372.831 4.290 20 0 FIADHM Cc1ccc([O-])c(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)n1 ZINC000513447914 1094135448 /nfs/dbraw/zinc/13/54/48/1094135448.db2.gz QECWNWQXKLOILT-KRWDZBQOSA-N -1 3 371.239 4.115 20 0 FIADHM COc1cc(CNCc2c(F)ccc([O-])c2F)ccc1OCCC(C)C ZINC000509933607 1094192016 /nfs/dbraw/zinc/19/20/16/1094192016.db2.gz XUGCMTGPOXCULI-UHFFFAOYSA-N -1 3 365.420 4.394 20 0 FIADHM CCOc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])cc1F ZINC000474531936 1094303934 /nfs/dbraw/zinc/30/39/34/1094303934.db2.gz BEPNHCIPFXVQDB-UHFFFAOYSA-N -1 3 365.788 4.185 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCSC4(CCC4)C3)nc2)n1 ZINC000896254071 1094490179 /nfs/dbraw/zinc/49/01/79/1094490179.db2.gz NIJBBNGYKXWWFG-OAHLLOKOSA-N -1 3 356.495 4.037 20 0 FIADHM CC(C)c1cccc(NC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000419581302 1094512379 /nfs/dbraw/zinc/51/23/79/1094512379.db2.gz CNDDUSTUDQPBMW-UHFFFAOYSA-N -1 3 357.479 4.055 20 0 FIADHM O=c1cc(CSCCCc2nc(-c3cccs3)no2)nc(C2CC2)[n-]1 ZINC000419601451 1094530042 /nfs/dbraw/zinc/53/00/42/1094530042.db2.gz JNTPYBFQNFCHNF-UHFFFAOYSA-N -1 3 374.491 4.037 20 0 FIADHM COc1cccc(C(F)(F)C(=O)[N-][C@H](c2ccc(F)cc2F)C2CC2)c1 ZINC001126567409 1095101227 /nfs/dbraw/zinc/10/12/27/1095101227.db2.gz BYLSERQWRZKFKW-KRWDZBQOSA-N -1 3 367.342 4.333 20 0 FIADHM COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([O-])cc2F)cc1 ZINC000639401714 1095376053 /nfs/dbraw/zinc/37/60/53/1095376053.db2.gz PSDJTTBLIGODPP-HXUWFJFHSA-N -1 3 364.376 4.311 20 0 FIADHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl ZINC000421162100 1095392702 /nfs/dbraw/zinc/39/27/02/1095392702.db2.gz YRPNISBDLKOBSE-LLVKDONJSA-N -1 3 355.834 4.080 20 0 FIADHM C[C@@H](SC[C@H]1C[C@@H](O)C1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000421209694 1095431437 /nfs/dbraw/zinc/43/14/37/1095431437.db2.gz OUUJELUQLOTVBW-MXWKQRLJSA-N -1 3 362.476 4.222 20 0 FIADHM CCCCc1nc(NC(=O)[C@H](C)CC2CCCCC2)c(C(=O)OCC)[n-]1 ZINC001269123626 1095568255 /nfs/dbraw/zinc/56/82/55/1095568255.db2.gz FLZIKUZGROXQBW-CQSZACIVSA-N -1 3 363.502 4.474 20 0 FIADHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1c[n-]c2ccccc2c1=O ZINC000522713214 1095597296 /nfs/dbraw/zinc/59/72/96/1095597296.db2.gz WJGXPCAQUWZWBF-KHPPLWFESA-N -1 3 373.437 4.407 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccsc2Cl)ccc1Br ZINC000395645576 1095819220 /nfs/dbraw/zinc/81/92/20/1095819220.db2.gz HDVZCTRWVZUHHP-UHFFFAOYSA-N -1 3 366.689 4.273 20 0 FIADHM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000522975865 1095934284 /nfs/dbraw/zinc/93/42/84/1095934284.db2.gz SPBWNUDMVDBMDK-CQSZACIVSA-N -1 3 362.832 4.035 20 0 FIADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000894264994 1095978595 /nfs/dbraw/zinc/97/85/95/1095978595.db2.gz QIYJTUGHHDOJMO-MRXNPFEDSA-N -1 3 374.412 4.017 20 0 FIADHM CCc1ccc(-c2csc(NC(=O)c3cc(F)cc4n[n-]nc43)n2)s1 ZINC000503341494 1096366875 /nfs/dbraw/zinc/36/68/75/1096366875.db2.gz DFMOGGIUWPHLRY-UHFFFAOYSA-N -1 3 373.438 4.097 20 0 FIADHM CCC1(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CCC1 ZINC000434212523 1096613122 /nfs/dbraw/zinc/61/31/22/1096613122.db2.gz AVQSYXPTZHUAAT-UHFFFAOYSA-N -1 3 372.490 4.315 20 0 FIADHM CSc1nccn1-c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533159969 1098811864 /nfs/dbraw/zinc/81/18/64/1098811864.db2.gz HNOABYYAVOMBBY-UHFFFAOYSA-N -1 3 359.838 4.206 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C ZINC000515697481 1098859927 /nfs/dbraw/zinc/85/99/27/1098859927.db2.gz ROOFIOPECCEQKU-UHFFFAOYSA-N -1 3 363.479 4.290 20 0 FIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1-c1ccc(F)cc1F ZINC000436490623 1099065165 /nfs/dbraw/zinc/06/51/65/1099065165.db2.gz YEUSVJGPKFHNNZ-UHFFFAOYSA-N -1 3 363.751 4.070 20 0 FIADHM COc1ccc([O-])c(-c2nc(C3(c4ccccc4F)CCCC3)no2)c1 ZINC000436521896 1099077330 /nfs/dbraw/zinc/07/73/30/1099077330.db2.gz PPQSKTNWBMZWKW-UHFFFAOYSA-N -1 3 354.381 4.450 20 0 FIADHM CC(C)OC1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000533475589 1099087785 /nfs/dbraw/zinc/08/77/85/1099087785.db2.gz AAUGJULFHKEZJQ-UHFFFAOYSA-N -1 3 373.478 4.046 20 0 FIADHM CC(C)c1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)c([O-])c1 ZINC000436559884 1099113357 /nfs/dbraw/zinc/11/33/57/1099113357.db2.gz AIQWJIYAKAZCNP-UHFFFAOYSA-N -1 3 361.445 4.148 20 0 FIADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCc2cccc(F)c21 ZINC000436593034 1099125055 /nfs/dbraw/zinc/12/50/55/1099125055.db2.gz BTCQIUALKZCTFH-UHFFFAOYSA-N -1 3 363.388 4.313 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436590866 1099137202 /nfs/dbraw/zinc/13/72/02/1099137202.db2.gz OHAXKBQZYOIGOE-JLTOFOAXSA-N -1 3 357.425 4.257 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436590871 1099137430 /nfs/dbraw/zinc/13/74/30/1099137430.db2.gz OHAXKBQZYOIGOE-VLIAUNLRSA-N -1 3 357.425 4.257 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)c([O-])c1 ZINC000436605102 1099140534 /nfs/dbraw/zinc/14/05/34/1099140534.db2.gz KJKRMUVSDLIMPH-LPHOPBHVSA-N -1 3 373.880 4.017 20 0 FIADHM CC(C)c1ccc(C(=O)N(Cc2ccco2)Cc2cccnc2)c([O-])c1 ZINC000436604674 1099140606 /nfs/dbraw/zinc/14/06/06/1099140606.db2.gz JNHIQOBNXWHBSB-UHFFFAOYSA-N -1 3 350.418 4.346 20 0 FIADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436609466 1099143981 /nfs/dbraw/zinc/14/39/81/1099143981.db2.gz LQQSXPZHDLIZCI-NSHDSACASA-N -1 3 358.829 4.322 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3F)cs2)cc1[O-] ZINC000436612896 1099146452 /nfs/dbraw/zinc/14/64/52/1099146452.db2.gz ZRFXHAMQBBMRKK-UHFFFAOYSA-N -1 3 356.378 4.110 20 0 FIADHM C[C@@]12CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C[C@@H]1C2(F)F ZINC000436669932 1099198489 /nfs/dbraw/zinc/19/84/89/1099198489.db2.gz BWBVUTHIPCQHEL-AZUAARDMSA-N -1 3 357.400 4.100 20 0 FIADHM Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(Cl)cc3[O-])cc2)n1 ZINC000533618479 1099215689 /nfs/dbraw/zinc/21/56/89/1099215689.db2.gz NDIBQRXCRAJCFM-UHFFFAOYSA-N -1 3 355.825 4.029 20 0 FIADHM CO[C@](C)(C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000436705831 1099238383 /nfs/dbraw/zinc/23/83/83/1099238383.db2.gz OLEDSMNQHKNDKU-FQEVSTJZSA-N -1 3 368.458 4.423 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436711492 1099243998 /nfs/dbraw/zinc/24/39/98/1099243998.db2.gz IPCMHVBKWUGOFP-ZDUSSCGKSA-N -1 3 365.351 4.136 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC2(CCOCC2)CC1 ZINC000436718072 1099249346 /nfs/dbraw/zinc/24/93/46/1099249346.db2.gz DAWXXTCIPLZTEP-UHFFFAOYSA-N -1 3 365.473 4.016 20 0 FIADHM CC(=O)N(c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1)[C@H]1C[C@@H]1C ZINC000436738723 1099258622 /nfs/dbraw/zinc/25/86/22/1099258622.db2.gz MHSVDHUEDDKSEX-DJJJIMSYSA-N -1 3 352.434 4.023 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1[O-] ZINC000436738252 1099259696 /nfs/dbraw/zinc/25/96/96/1099259696.db2.gz SEHMEHWAJFUXGP-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM COc1ccc(C(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000436759260 1099275973 /nfs/dbraw/zinc/27/59/73/1099275973.db2.gz VPLMGJIWQJTKTF-LLVKDONJSA-N -1 3 353.340 4.253 20 0 FIADHM COc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436760555 1099277625 /nfs/dbraw/zinc/27/76/25/1099277625.db2.gz QKPZWLVENSDZCS-NSHDSACASA-N -1 3 353.340 4.253 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000436749520 1099282337 /nfs/dbraw/zinc/28/23/37/1099282337.db2.gz JZFRQLQKLNPWLY-MRXNPFEDSA-N -1 3 365.351 4.484 20 0 FIADHM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436755114 1099289318 /nfs/dbraw/zinc/28/93/18/1099289318.db2.gz MIAJXACZGPNJNZ-UHFFFAOYSA-N -1 3 372.424 4.120 20 0 FIADHM CCn1c2ccccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436777347 1099298440 /nfs/dbraw/zinc/29/84/40/1099298440.db2.gz MIYGUPSRNWGJBN-UHFFFAOYSA-N -1 3 352.419 4.104 20 0 FIADHM Cc1ccccc1-n1ccnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436779950 1099301444 /nfs/dbraw/zinc/30/14/44/1099301444.db2.gz YEAJHJYYGRFYGZ-UHFFFAOYSA-N -1 3 364.430 4.229 20 0 FIADHM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(O)cc1[O-] ZINC000436795605 1099326490 /nfs/dbraw/zinc/32/64/90/1099326490.db2.gz ZJPXRIJWPSIKOF-UHFFFAOYSA-N -1 3 354.233 4.455 20 0 FIADHM CCc1ccc(C(=O)N(C)Cc2cc(Br)cs2)c([O-])c1 ZINC000436820233 1099331503 /nfs/dbraw/zinc/33/15/03/1099331503.db2.gz QIGMMXXRLKDOGV-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM COCCc1ccccc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436837380 1099348021 /nfs/dbraw/zinc/34/80/21/1099348021.db2.gz GOAFURZKLNUDAH-UHFFFAOYSA-N -1 3 361.441 4.424 20 0 FIADHM CC(C)C(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436827917 1099354167 /nfs/dbraw/zinc/35/41/67/1099354167.db2.gz PAQNNWWHGWYHNL-UHFFFAOYSA-N -1 3 352.434 4.118 20 0 FIADHM CCc1ccc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)c([O-])c1 ZINC000436839580 1099358945 /nfs/dbraw/zinc/35/89/45/1099358945.db2.gz ODBQNOASZUUHPH-UHFFFAOYSA-N -1 3 370.359 4.340 20 0 FIADHM CSC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436854231 1099369876 /nfs/dbraw/zinc/36/98/76/1099369876.db2.gz SZSISNQTLIBLGJ-HNNXBMFYSA-N -1 3 357.475 4.400 20 0 FIADHM O=C(NCCc1ccccc1)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001212009040 1099375042 /nfs/dbraw/zinc/37/50/42/1099375042.db2.gz IENYXEOQWGTRHV-UHFFFAOYSA-N -1 3 368.383 4.387 20 0 FIADHM Cc1c(I)cccc1Nc1ccc([O-])c(F)c1F ZINC001212009933 1099375215 /nfs/dbraw/zinc/37/52/15/1099375215.db2.gz ZYBUQTZAAMSEOQ-UHFFFAOYSA-N -1 3 361.129 4.327 20 0 FIADHM COc1cc(C(=O)OC(C)(C)C)ccc1Nc1ccc([O-])c(F)c1F ZINC001212013972 1099378152 /nfs/dbraw/zinc/37/81/52/1099378152.db2.gz SKVCTRHGZMZDDL-UHFFFAOYSA-N -1 3 351.349 4.378 20 0 FIADHM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001212017999 1099385687 /nfs/dbraw/zinc/38/56/87/1099385687.db2.gz JGEJMFMWGLDQBE-NWDGAFQWSA-N -1 3 350.311 4.488 20 0 FIADHM CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436880141 1099396091 /nfs/dbraw/zinc/39/60/91/1099396091.db2.gz IZNKNRYNVYJPGY-KRWDZBQOSA-N -1 3 365.433 4.447 20 0 FIADHM [O-]c1ccccc1-c1nc(-c2ccc(COCC(F)(F)F)cc2)no1 ZINC000436885261 1099400967 /nfs/dbraw/zinc/40/09/67/1099400967.db2.gz GZFCUCWSHFTBRD-UHFFFAOYSA-N -1 3 350.296 4.188 20 0 FIADHM COc1cc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)ccn1 ZINC000436887325 1099401721 /nfs/dbraw/zinc/40/17/21/1099401721.db2.gz NVALCDGIJLJOQA-UHFFFAOYSA-N -1 3 359.385 4.104 20 0 FIADHM COc1cc(-c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)ccc1O ZINC000436886665 1099404649 /nfs/dbraw/zinc/40/46/49/1099404649.db2.gz HWZMLIDIEWSALP-UHFFFAOYSA-N -1 3 374.396 4.414 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCc2cccc(O)c21 ZINC000436950113 1099444441 /nfs/dbraw/zinc/44/44/41/1099444441.db2.gz MEWYLZNAAHNETC-UHFFFAOYSA-N -1 3 359.425 4.282 20 0 FIADHM Cc1cc(-c2noc(-c3ccc(Br)cc3[O-])n2)cc2nc[nH]c21 ZINC000436934826 1099447402 /nfs/dbraw/zinc/44/74/02/1099447402.db2.gz MUWLQJSAKSKKIT-UHFFFAOYSA-N -1 3 371.194 4.056 20 0 FIADHM [O-]c1ccccc1-c1nc(CCCc2ccccc2Br)no1 ZINC000436946326 1099456323 /nfs/dbraw/zinc/45/63/23/1099456323.db2.gz ALNKIDKSUDQMPQ-UHFFFAOYSA-N -1 3 359.223 4.380 20 0 FIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c(C)c1 ZINC000516411796 1099457244 /nfs/dbraw/zinc/45/72/44/1099457244.db2.gz FPZONCPYULSZFU-UHFFFAOYSA-N -1 3 363.479 4.373 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc4oc(N(C)C)nc4c3)no2)c([O-])c1 ZINC000436952835 1099469399 /nfs/dbraw/zinc/46/93/99/1099469399.db2.gz KJERFJNLDKTBCY-UHFFFAOYSA-N -1 3 364.405 4.440 20 0 FIADHM COCc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436982919 1099488327 /nfs/dbraw/zinc/48/83/27/1099488327.db2.gz VTRCFUFWCBKWHM-UHFFFAOYSA-N -1 3 363.413 4.370 20 0 FIADHM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436969508 1099489993 /nfs/dbraw/zinc/48/99/93/1099489993.db2.gz JBANAGBLWSADOD-UHFFFAOYSA-N -1 3 361.401 4.106 20 0 FIADHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436984398 1099491540 /nfs/dbraw/zinc/49/15/40/1099491540.db2.gz AWQMMLQSTNLSFI-GUYCJALGSA-N -1 3 363.379 4.396 20 0 FIADHM CC[C@](C)(OC)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436985263 1099502930 /nfs/dbraw/zinc/50/29/30/1099502930.db2.gz NZEHNIAKUJYQJF-IBGZPJMESA-N -1 3 356.447 4.423 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436986433 1099504823 /nfs/dbraw/zinc/50/48/23/1099504823.db2.gz JPGHUHDQGWCCPA-INIZCTEOSA-N -1 3 357.425 4.340 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(Br)c(C)c3)no2)c1[O-] ZINC000437005881 1099508922 /nfs/dbraw/zinc/50/89/22/1099508922.db2.gz XFPYGTFVDLPSFG-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000161885545 1099549361 /nfs/dbraw/zinc/54/93/61/1099549361.db2.gz DHDHZJFQQPZUBA-UHFFFAOYSA-N -1 3 368.220 4.045 20 0 FIADHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC001212088292 1099591808 /nfs/dbraw/zinc/59/18/08/1099591808.db2.gz LKMNGDGVCVUONE-VIFPVBQESA-N -1 3 357.825 4.462 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc(F)ccc1F ZINC000516626785 1099676130 /nfs/dbraw/zinc/67/61/30/1099676130.db2.gz FZRAMEBKTZFUMR-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM O=S(=O)([N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000437299508 1099784274 /nfs/dbraw/zinc/78/42/74/1099784274.db2.gz VECKBCQLNSWHRL-RKDXNWHRSA-N -1 3 361.838 4.049 20 0 FIADHM COc1ccccc1CN(Cc1cccs1)Cc1nc(C)ccc1[O-] ZINC000506098542 1100090642 /nfs/dbraw/zinc/09/06/42/1100090642.db2.gz HVZWTKIDHNQTAC-UHFFFAOYSA-N -1 3 354.475 4.368 20 0 FIADHM Cc1cnc([C@H](NCc2cccc([O-])c2Br)C2CC2)s1 ZINC000459408729 1100129907 /nfs/dbraw/zinc/12/99/07/1100129907.db2.gz AGEIBYXGNACUGG-CQSZACIVSA-N -1 3 353.285 4.161 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc(OCc2ccccc2)ccc1O ZINC000536713382 1100213771 /nfs/dbraw/zinc/21/37/71/1100213771.db2.gz AJOBZHBTYVXMNQ-UHFFFAOYSA-N -1 3 353.349 4.068 20 0 FIADHM CC(C)Cn1c(SCc2ncccc2[O-])nnc1-c1ccccc1F ZINC000517588368 1100514947 /nfs/dbraw/zinc/51/49/47/1100514947.db2.gz JXXCHJZGEVTGCR-UHFFFAOYSA-N -1 3 358.442 4.133 20 0 FIADHM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000517702233 1100614265 /nfs/dbraw/zinc/61/42/65/1100614265.db2.gz AUIGVAOCSOBDSA-OQPBUACISA-N -1 3 362.303 4.267 20 0 FIADHM CC(C)[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000438480744 1100683466 /nfs/dbraw/zinc/68/34/66/1100683466.db2.gz BFHUQIOOWCOXGW-AWEZNQCLSA-N -1 3 371.481 4.269 20 0 FIADHM CO[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000469405436 1100828467 /nfs/dbraw/zinc/82/84/67/1100828467.db2.gz HGIFZBKTFIYYPM-GOSISDBHSA-N -1 3 365.832 4.011 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(Br)s1 ZINC000473592981 1100840140 /nfs/dbraw/zinc/84/01/40/1100840140.db2.gz LMYCNASSSKRXIJ-UHFFFAOYSA-N -1 3 366.158 4.487 20 0 FIADHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000438718603 1100871327 /nfs/dbraw/zinc/87/13/27/1100871327.db2.gz AWUTWUXEEYIUGS-UHFFFAOYSA-N -1 3 363.479 4.059 20 0 FIADHM COc1ccc2c(c1)CCN2C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000439060915 1101112103 /nfs/dbraw/zinc/11/21/03/1101112103.db2.gz QUDBMHSAWBRTAF-UHFFFAOYSA-N -1 3 373.452 4.389 20 0 FIADHM C[C@H](Oc1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439093455 1101147733 /nfs/dbraw/zinc/14/77/33/1101147733.db2.gz GWAKEQLFULMYEH-VIFPVBQESA-N -1 3 370.630 4.214 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000648431350 1101325601 /nfs/dbraw/zinc/32/56/01/1101325601.db2.gz RNIWCFXCUYXQIG-GRYCIOLGSA-N -1 3 363.811 4.066 20 0 FIADHM CC[C@H](Cc1ccccc1C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431368 1101325736 /nfs/dbraw/zinc/32/57/36/1101325736.db2.gz SDJRCFZENQQUEL-GFCCVEGCSA-N -1 3 373.806 4.037 20 0 FIADHM CC[C@H](C)[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648433754 1101334002 /nfs/dbraw/zinc/33/40/02/1101334002.db2.gz NAIZPCVJPROQTI-FZMZJTMJSA-N -1 3 373.806 4.289 20 0 FIADHM CC(C)c1ccccc1N(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000426357010 1101365299 /nfs/dbraw/zinc/36/52/99/1101365299.db2.gz OKICRUQSAPZFBQ-UHFFFAOYSA-N -1 3 356.372 4.206 20 0 FIADHM CCCCCS[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000537046114 1101423401 /nfs/dbraw/zinc/42/34/01/1101423401.db2.gz ROYQRBHCTQAPTF-LLVKDONJSA-N -1 3 368.524 4.454 20 0 FIADHM CCc1c(NC(=O)c2cc([O-])ccc2Cl)cnn1-c1cccc(C)c1 ZINC000506645070 1101664601 /nfs/dbraw/zinc/66/46/01/1101664601.db2.gz GFQYIINSHFDBMH-UHFFFAOYSA-N -1 3 355.825 4.354 20 0 FIADHM Cc1oc2ccccc2c1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000185491207 1101701362 /nfs/dbraw/zinc/70/13/62/1101701362.db2.gz WKDDSTIADHFYFV-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C(C)C)[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000518910158 1101712947 /nfs/dbraw/zinc/71/29/47/1101712947.db2.gz HDKPWWSGIXXLMM-XLIONFOSSA-N -1 3 368.481 4.302 20 0 FIADHM C[C@@H]1COCC[C@H]1c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000519070829 1101907124 /nfs/dbraw/zinc/90/71/24/1101907124.db2.gz YPPNQSCTHPNYPL-RHSMWYFYSA-N -1 3 350.418 4.173 20 0 FIADHM O=C(c1cc2sccc2c([O-])c1)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC001625967438 1102039914 /nfs/dbraw/zinc/03/99/14/1102039914.db2.gz UXZGZBJAIPMTAG-MRXNPFEDSA-N -1 3 372.877 4.047 20 0 FIADHM Cc1ccccc1C[C@@H](CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000426634993 1102205835 /nfs/dbraw/zinc/20/58/35/1102205835.db2.gz SHGQSKLOSXSSIT-SFHVURJKSA-N -1 3 366.486 4.152 20 0 FIADHM C[C@@H]1CC[C@@](CNCc2csc(COc3ccccc3)n2)(CC(=O)[O-])C1 ZINC000426638430 1102223340 /nfs/dbraw/zinc/22/33/40/1102223340.db2.gz QOTSRGWMBIFJTN-QRWLVFNGSA-N -1 3 374.506 4.093 20 0 FIADHM C[C@@H](CCC(=O)[O-])CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000426648347 1102252679 /nfs/dbraw/zinc/25/26/79/1102252679.db2.gz RWXVQKGCTIHQBY-NSHDSACASA-N -1 3 372.412 4.419 20 0 FIADHM Fc1ccccc1[N-]c1nnc(SCc2nnsc2Cl)s1 ZINC000052424595 1102266844 /nfs/dbraw/zinc/26/68/44/1102266844.db2.gz KZKCSAXLNWUESG-UHFFFAOYSA-N -1 3 359.864 4.218 20 0 FIADHM Cc1cc(C(=O)NCc2ncccc2[O-])sc1-c1cccc(Cl)c1 ZINC000473634676 1102338788 /nfs/dbraw/zinc/33/87/88/1102338788.db2.gz XLDSSZYJNNVFEE-UHFFFAOYSA-N -1 3 358.850 4.408 20 0 FIADHM O=C(NCc1ncccc1[O-])[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000473629361 1102340174 /nfs/dbraw/zinc/34/01/74/1102340174.db2.gz IKWBDYDZUGRPHZ-LJQANCHMSA-N -1 3 368.433 4.076 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)c(C)c1 ZINC000110592053 1102395093 /nfs/dbraw/zinc/39/50/93/1102395093.db2.gz XKLXBFOEFSVEAI-UHFFFAOYSA-N -1 3 374.506 4.397 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000121963192 1102503125 /nfs/dbraw/zinc/50/31/25/1102503125.db2.gz FMYISHSQLWBPJP-NRFANRHFSA-N -1 3 374.440 4.481 20 0 FIADHM CCN(CCc1nccs1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000122237502 1102549508 /nfs/dbraw/zinc/54/95/08/1102549508.db2.gz AQVWIFFWDUAMIK-UHFFFAOYSA-N -1 3 368.458 4.346 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](c2ccccc2Cl)C(C)C)c1 ZINC000122511483 1102587371 /nfs/dbraw/zinc/58/73/71/1102587371.db2.gz KPDMHVAUILGOHI-IBGZPJMESA-N -1 3 374.868 4.473 20 0 FIADHM COc1ccc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c([O-])c1 ZINC000111632439 1102680434 /nfs/dbraw/zinc/68/04/34/1102680434.db2.gz CBWVYSGXWTXIIL-UHFFFAOYSA-N -1 3 368.408 4.041 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1C ZINC000101850820 1102739334 /nfs/dbraw/zinc/73/93/34/1102739334.db2.gz BPDOEXHZKITAPJ-UHFFFAOYSA-N -1 3 352.459 4.475 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1 ZINC000467406785 1102782923 /nfs/dbraw/zinc/78/29/23/1102782923.db2.gz QUBDUFKIFXVUIL-UHFFFAOYSA-N -1 3 371.462 4.030 20 0 FIADHM CCOc1ccc(Br)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000550249535 1102852590 /nfs/dbraw/zinc/85/25/90/1102852590.db2.gz SHZBPGOZLIUCBN-UHFFFAOYSA-N -1 3 370.630 4.459 20 0 FIADHM CC(C)(C)c1nc(CNCCC[C@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000426675076 1102895057 /nfs/dbraw/zinc/89/50/57/1102895057.db2.gz PAWRDHCSEOZNFJ-MRXNPFEDSA-N -1 3 360.523 4.254 20 0 FIADHM CCOC(=O)c1c(-c2ccc(C)cc2C)csc1[N-]C(=O)c1cocn1 ZINC000729649824 1102915053 /nfs/dbraw/zinc/91/50/53/1102915053.db2.gz FMPIDNCRAIKIED-UHFFFAOYSA-N -1 3 370.430 4.449 20 0 FIADHM Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000426684636 1102919586 /nfs/dbraw/zinc/91/95/86/1102919586.db2.gz AIRKZKYJWNRZBK-IBGZPJMESA-N -1 3 369.852 4.058 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c([O-])c1 ZINC000536623142 1102926094 /nfs/dbraw/zinc/92/60/94/1102926094.db2.gz CDSHHSYFUZPNLH-UHFFFAOYSA-N -1 3 357.337 4.015 20 0 FIADHM O=C([O-])Cc1ccccc1CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000426691463 1102935368 /nfs/dbraw/zinc/93/53/68/1102935368.db2.gz IHMCSUTYJCEUQR-UHFFFAOYSA-N -1 3 357.759 4.276 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000426721215 1102941257 /nfs/dbraw/zinc/94/12/57/1102941257.db2.gz APXBJJTYEDTGAU-SFHVURJKSA-N -1 3 363.816 4.183 20 0 FIADHM O=C([O-])[C@H](CSCCc1ccccc1)NCc1cc2ccccc2s1 ZINC000426724641 1102943187 /nfs/dbraw/zinc/94/31/87/1102943187.db2.gz URDWMJRWTRDFQZ-SFHVURJKSA-N -1 3 371.527 4.420 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Br)c(F)c1)c1ccccc1 ZINC000426745774 1102961569 /nfs/dbraw/zinc/96/15/69/1102961569.db2.gz VXYWGSQECIXITP-ZBEGNZNMSA-N -1 3 366.230 4.140 20 0 FIADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)sc1Br ZINC000426726822 1102961778 /nfs/dbraw/zinc/96/17/78/1102961778.db2.gz LNCHZERPIXNLHQ-LBPRGKRZSA-N -1 3 374.687 4.388 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000426727330 1102962513 /nfs/dbraw/zinc/96/25/13/1102962513.db2.gz OEZJWGXFSMLJEX-AWEZNQCLSA-N -1 3 361.722 4.413 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(Br)c1)c1ccc(Cl)c(F)c1 ZINC000426764918 1102964243 /nfs/dbraw/zinc/96/42/43/1102964243.db2.gz YXACXACPNWAMPJ-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])s2)o1 ZINC000426745237 1102964770 /nfs/dbraw/zinc/96/47/70/1102964770.db2.gz GBUYBDMMKWKPCP-DYVFJYSZSA-N -1 3 356.447 4.263 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000426754108 1102969573 /nfs/dbraw/zinc/96/95/73/1102969573.db2.gz NQBQDSKPPFIYPU-WBMJQRKESA-N -1 3 358.488 4.423 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 ZINC000426755033 1102970412 /nfs/dbraw/zinc/97/04/12/1102970412.db2.gz WCRUHLHYQVYHKL-MLGOLLRUSA-N -1 3 358.488 4.423 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)c1[O-] ZINC000261455661 1102976933 /nfs/dbraw/zinc/97/69/33/1102976933.db2.gz RDRPSVHUSSBOSZ-UHFFFAOYSA-N -1 3 352.390 4.432 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(F)cc(C(F)(F)F)c2)c1 ZINC000426782330 1102983483 /nfs/dbraw/zinc/98/34/83/1102983483.db2.gz GJUYTCIDSDGIPK-MRXNPFEDSA-N -1 3 371.330 4.159 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2)c1 ZINC000426781311 1102983606 /nfs/dbraw/zinc/98/36/06/1102983606.db2.gz BEQXYYPVOQLHGE-MRXNPFEDSA-N -1 3 353.340 4.020 20 0 FIADHM O=S(=O)([N-]c1ccsc1Cl)c1ccc(F)cc1Br ZINC000189732960 1102994952 /nfs/dbraw/zinc/99/49/52/1102994952.db2.gz CODFIPDVYVSPGX-UHFFFAOYSA-N -1 3 370.652 4.104 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000426793379 1102995097 /nfs/dbraw/zinc/99/50/97/1102995097.db2.gz NCHVXYHRQJEYGO-AWEZNQCLSA-N -1 3 354.631 4.018 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(Cl)s1)c1cccc(Br)c1 ZINC000426802477 1103000592 /nfs/dbraw/zinc/00/05/92/1103000592.db2.gz YQVNREPAOYJFLN-LBPRGKRZSA-N -1 3 374.687 4.470 20 0 FIADHM COc1ccc([C@@H](NCc2ccc(C(F)(F)F)cc2C)C(=O)[O-])cc1F ZINC000426831057 1103003653 /nfs/dbraw/zinc/00/36/53/1103003653.db2.gz CSIKROQXUNUWOK-MRXNPFEDSA-N -1 3 371.330 4.077 20 0 FIADHM CCc1ccc([C@@H](NCc2ccc(F)c(Br)c2)C(=O)[O-])cc1 ZINC000426805985 1103004583 /nfs/dbraw/zinc/00/45/83/1103004583.db2.gz HPJLLKYAJFSGMT-MRXNPFEDSA-N -1 3 366.230 4.066 20 0 FIADHM O=C([O-])[C@H](NCc1coc2ccccc12)c1ccc(Br)cc1 ZINC000426808649 1103005004 /nfs/dbraw/zinc/00/50/04/1103005004.db2.gz AOGKJELBADYJHU-MRXNPFEDSA-N -1 3 360.207 4.111 20 0 FIADHM COc1cc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000426809823 1103005549 /nfs/dbraw/zinc/00/55/49/1103005549.db2.gz WQSCNDNLLXCEHY-HXUWFJFHSA-N -1 3 357.450 4.133 20 0 FIADHM Cc1cc([C@@H](NCc2ccc(Br)cc2)C(=O)[O-])ccc1Cl ZINC000426808693 1103005667 /nfs/dbraw/zinc/00/56/67/1103005667.db2.gz NLYQGEVMNBBOBP-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1c(F)ccc(Br)c1F ZINC000426986583 1103144455 /nfs/dbraw/zinc/14/44/55/1103144455.db2.gz MDMOYIHLRJNCIX-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(-c2ccccc2)ccc1Cl ZINC000473857769 1103425198 /nfs/dbraw/zinc/42/51/98/1103425198.db2.gz OJCZXYRCTRJZOK-SFHVURJKSA-N -1 3 367.836 4.256 20 0 FIADHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427310549 1103437889 /nfs/dbraw/zinc/43/78/89/1103437889.db2.gz VBFMPZYLBHSKFG-UHFFFAOYSA-N -1 3 360.410 4.207 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(OC(F)F)cc2)Cc2ccccc2)[n-]1 ZINC000477406326 1103465389 /nfs/dbraw/zinc/46/53/89/1103465389.db2.gz NBNLOBBUPYUMDI-SSZFMOIBSA-N -1 3 354.356 4.155 20 0 FIADHM C[C@H]1CCc2c(sc3nc(-c4ccnc(OC(F)F)c4)[n-]c(=O)c32)C1 ZINC000507678546 1103605989 /nfs/dbraw/zinc/60/59/89/1103605989.db2.gz PURMZRHHKTUPDO-QMMMGPOBSA-N -1 3 363.389 4.185 20 0 FIADHM Cn1cc(-c2cc(F)ccc2NC(=O)CCCc2ccc([O-])c(F)c2)cn1 ZINC000477702016 1103801993 /nfs/dbraw/zinc/80/19/93/1103801993.db2.gz ZTNZECQJZGCBIT-UHFFFAOYSA-N -1 3 371.387 4.032 20 0 FIADHM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000440940575 1104044000 /nfs/dbraw/zinc/04/40/00/1104044000.db2.gz HJXBQFVDPBHWRF-QGZVFWFLSA-N -1 3 362.832 4.178 20 0 FIADHM Cn1ncc2c1CCC[C@@H]2[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843766316 1104359014 /nfs/dbraw/zinc/35/90/14/1104359014.db2.gz YOQJTAWVSAMYLX-LBPRGKRZSA-N -1 3 374.218 4.013 20 0 FIADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328659473 1104527595 /nfs/dbraw/zinc/52/75/95/1104527595.db2.gz SUZAPFZJJVVFPG-CYBMUJFWSA-N -1 3 367.428 4.037 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cnc(-c2ccco2)s1 ZINC000520467787 1104808772 /nfs/dbraw/zinc/80/87/72/1104808772.db2.gz JRYYFIRZYNLPQH-UHFFFAOYSA-N -1 3 365.208 4.124 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCc3cc4ccccc4o3)cc2)cc(=O)[n-]1 ZINC000520469808 1104815113 /nfs/dbraw/zinc/81/51/13/1104815113.db2.gz MKUBXTFTVBDLEN-UHFFFAOYSA-N -1 3 374.400 4.226 20 0 FIADHM CC(C)c1cnc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000417551162 1104961941 /nfs/dbraw/zinc/96/19/41/1104961941.db2.gz YOYBBSWHRAALRU-CYBMUJFWSA-N -1 3 352.887 4.268 20 0 FIADHM CC(C)(c1nnc([N-]C(=O)c2cnc(C3CC3)s2)s1)c1ccccc1 ZINC000520732439 1105176738 /nfs/dbraw/zinc/17/67/38/1105176738.db2.gz HMTACDRGLJFOJH-UHFFFAOYSA-N -1 3 370.503 4.450 20 0 FIADHM COc1ccc(C2(C(=O)NCc3ccc([O-])c(F)c3)CCCCC2)cc1 ZINC000427945274 1105323126 /nfs/dbraw/zinc/32/31/26/1105323126.db2.gz GQLJYYIYZILPCT-UHFFFAOYSA-N -1 3 357.425 4.058 20 0 FIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C2CCC2)cc1 ZINC000427981141 1105335944 /nfs/dbraw/zinc/33/59/44/1105335944.db2.gz DQCBVFRPNWRDOO-UHFFFAOYSA-N -1 3 362.433 4.071 20 0 FIADHM CCOc1cc(CNCc2ncccc2[O-])ccc1OCc1ccccc1 ZINC000475346283 1106745545 /nfs/dbraw/zinc/74/55/45/1106745545.db2.gz BXRAVAOESJVHSN-UHFFFAOYSA-N -1 3 364.445 4.055 20 0 FIADHM C[C@H](Oc1ccccc1[N-]S(=O)(=O)CCCCF)c1ccccc1 ZINC000451008318 1106887708 /nfs/dbraw/zinc/88/77/08/1106887708.db2.gz FOGMOHJNBHALKM-HNNXBMFYSA-N -1 3 351.443 4.318 20 0 FIADHM Cc1cc(Br)c(CN([C@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC000530164339 1106897458 /nfs/dbraw/zinc/89/74/58/1106897458.db2.gz DCEZRIBKSKWZBJ-SNVBAGLBSA-N -1 3 360.679 4.239 20 0 FIADHM CC(C)(C)c1ccc(OCCCN2CCc3occc3[C@@H]2C(=O)[O-])cc1 ZINC000530171652 1106902589 /nfs/dbraw/zinc/90/25/89/1106902589.db2.gz YTJMKGOPWPYLDG-LJQANCHMSA-N -1 3 357.450 4.030 20 0 FIADHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451210951 1106975029 /nfs/dbraw/zinc/97/50/29/1106975029.db2.gz HJPQAUZWWCOGQT-OAHLLOKOSA-N -1 3 355.331 4.192 20 0 FIADHM O=c1[n-]c(Sc2cccc(Cl)c2)nc2c1cnn2-c1ccccc1 ZINC000301423582 1107027012 /nfs/dbraw/zinc/02/70/12/1107027012.db2.gz SVPFCNWLFNTZFU-UHFFFAOYSA-N -1 3 354.822 4.326 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCO[C@H](c3ccccc3C)C2)c([O-])c1 ZINC000530458475 1107052894 /nfs/dbraw/zinc/05/28/94/1107052894.db2.gz MITZDFROZGIBMM-NRFANRHFSA-N -1 3 369.461 4.093 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3C3CCCCC3)nc2)n1 ZINC000301543375 1107065662 /nfs/dbraw/zinc/06/56/62/1107065662.db2.gz OOEQRFSEEWUQHE-SFHVURJKSA-N -1 3 352.482 4.356 20 0 FIADHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cc(Br)ccc1[O-] ZINC000530678329 1107249410 /nfs/dbraw/zinc/24/94/10/1107249410.db2.gz OPUAZPSJBGAGGQ-UHFFFAOYSA-N -1 3 374.156 4.355 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(OC(F)F)c1 ZINC000530678515 1107251933 /nfs/dbraw/zinc/25/19/33/1107251933.db2.gz ZAHIEQPISHVANW-UHFFFAOYSA-N -1 3 358.138 4.008 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4ccc(C)cc4)C3)nc2)n1 ZINC000302134075 1107311539 /nfs/dbraw/zinc/31/15/39/1107311539.db2.gz HLHWUUYMLYMMKM-GOSISDBHSA-N -1 3 360.461 4.109 20 0 FIADHM CSCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000530777182 1107314344 /nfs/dbraw/zinc/31/43/44/1107314344.db2.gz YWHGSSUWSFVTDW-UHFFFAOYSA-N -1 3 352.253 4.270 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1OCC1CC1 ZINC000531015375 1107464647 /nfs/dbraw/zinc/46/46/47/1107464647.db2.gz XHARNFFKESMSDB-UHFFFAOYSA-N -1 3 362.223 4.196 20 0 FIADHM Cc1o[n-]c(=NC(=O)c2oc3c(cc(Br)cc3C)c2C)c1C ZINC000452162204 1107504521 /nfs/dbraw/zinc/50/45/21/1107504521.db2.gz LJTPANDXHFGGGS-UHFFFAOYSA-N -1 3 363.211 4.091 20 0 FIADHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(Br)ccc1[O-] ZINC000531155267 1107612937 /nfs/dbraw/zinc/61/29/37/1107612937.db2.gz GLJHMAQPYWCRAP-UHFFFAOYSA-N -1 3 374.156 4.355 20 0 FIADHM CCc1cccc(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c1[O-] ZINC000531193671 1107626257 /nfs/dbraw/zinc/62/62/57/1107626257.db2.gz NSJNTGKTLSRYOZ-UHFFFAOYSA-N -1 3 354.450 4.500 20 0 FIADHM O=C(C/C=C\c1ccccc1F)Nc1ccc(Br)cc1[O-] ZINC000531176386 1107627693 /nfs/dbraw/zinc/62/76/93/1107627693.db2.gz FMSKXGFQQQEEOD-HYXAFXHYSA-N -1 3 350.187 4.336 20 0 FIADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000531492966 1107928584 /nfs/dbraw/zinc/92/85/84/1107928584.db2.gz XUIPXYBDRLVNPX-CQSZACIVSA-N -1 3 368.202 4.090 20 0 FIADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000444602580 1108012530 /nfs/dbraw/zinc/01/25/30/1108012530.db2.gz KPVKVMRWWXBIGK-KRWDZBQOSA-N -1 3 374.362 4.260 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2sccc2s1 ZINC000531762626 1108151210 /nfs/dbraw/zinc/15/12/10/1108151210.db2.gz FKJBTFXVLMIYMS-UHFFFAOYSA-N -1 3 368.277 4.361 20 0 FIADHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000531780616 1108170682 /nfs/dbraw/zinc/17/06/82/1108170682.db2.gz RUTSJLQBYMMBQP-UHFFFAOYSA-N -1 3 369.417 4.206 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCCC3(C)C)cc2)cc(=O)[n-]1 ZINC000531811545 1108194822 /nfs/dbraw/zinc/19/48/22/1108194822.db2.gz LURJCTSGKHGBGA-QGZVFWFLSA-N -1 3 354.454 4.248 20 0 FIADHM O=C(Cc1cccc2ccccc21)N[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000007764591 1108194995 /nfs/dbraw/zinc/19/49/95/1108194995.db2.gz CPSJLYDDTYLHSK-UHFFFAOYSA-N -1 3 373.239 4.150 20 0 FIADHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000523461531 1108236966 /nfs/dbraw/zinc/23/69/66/1108236966.db2.gz RMWHHCLJNCIPJQ-HNNXBMFYSA-N -1 3 374.456 4.139 20 0 FIADHM CS[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000523528720 1108290749 /nfs/dbraw/zinc/29/07/49/1108290749.db2.gz MPFUCHDFHFUTQA-AWEZNQCLSA-N -1 3 352.253 4.198 20 0 FIADHM CC[C@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000532019441 1108554701 /nfs/dbraw/zinc/55/47/01/1108554701.db2.gz VBOLNBOCOMEZET-OAHLLOKOSA-N -1 3 362.267 4.040 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(O)c4ccccc34)c[n-]c12 ZINC000532276477 1108743642 /nfs/dbraw/zinc/74/36/42/1108743642.db2.gz IYSDFNIKEWYJBV-UHFFFAOYSA-N -1 3 362.360 4.087 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(OC)c2Cl)CC)n1 ZINC000193618577 1108783862 /nfs/dbraw/zinc/78/38/62/1108783862.db2.gz PTPRBKRGAASYRN-ZRDIBKRKSA-N -1 3 362.857 4.344 20 0 FIADHM CCN(C(=O)Cc1noc(-c2cc3ccccc3cc2[O-])n1)c1ccccc1 ZINC000445686656 1108946649 /nfs/dbraw/zinc/94/66/49/1108946649.db2.gz IJULXCQXAHJGAM-UHFFFAOYSA-N -1 3 373.412 4.191 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)SCC=C(C)C)nc(=O)c2c1C ZINC000446112470 1109110761 /nfs/dbraw/zinc/11/07/61/1109110761.db2.gz PLAMCWWCMTUDDL-NSHDSACASA-N -1 3 366.508 4.230 20 0 FIADHM Cc1nc(C)c(CCC(=O)N(C)c2ccc(-c3ccccc3)cc2)c(=O)[n-]1 ZINC000524769046 1109147779 /nfs/dbraw/zinc/14/77/79/1109147779.db2.gz LVLITPPRKDQVLO-UHFFFAOYSA-N -1 3 361.445 4.062 20 0 FIADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000525289953 1109329259 /nfs/dbraw/zinc/32/92/59/1109329259.db2.gz JZFKRMWSSORXGG-LBPRGKRZSA-N -1 3 364.239 4.198 20 0 FIADHM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000525386451 1109360540 /nfs/dbraw/zinc/36/05/40/1109360540.db2.gz PDMVPOPXMVIIPV-OIBJUYFYSA-N -1 3 366.266 4.028 20 0 FIADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000525670043 1109479246 /nfs/dbraw/zinc/47/92/46/1109479246.db2.gz WLQCAYTVERHZPQ-UHFFFAOYSA-N -1 3 351.443 4.339 20 0 FIADHM CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000525753798 1109509442 /nfs/dbraw/zinc/50/94/42/1109509442.db2.gz XJZWJULMVGOXEA-UHFFFAOYSA-N -1 3 360.841 4.074 20 0 FIADHM O=C([N-]c1ccccc1SC[C@H]1CC1(Cl)Cl)c1cnsn1 ZINC000121737626 1109579937 /nfs/dbraw/zinc/57/99/37/1109579937.db2.gz TZZLYNHFZQAART-MRVPVSSYSA-N -1 3 360.291 4.076 20 0 FIADHM O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1cccc2n[n-]nc21 ZINC000526122382 1109629452 /nfs/dbraw/zinc/62/94/52/1109629452.db2.gz NMHWXTHNOWATBY-UHFFFAOYSA-N -1 3 356.813 4.185 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cccc(Cl)c1Cl ZINC000527038071 1109674586 /nfs/dbraw/zinc/67/45/86/1109674586.db2.gz JHKSQTTZOHBJNZ-UHFFFAOYSA-N -1 3 356.224 4.477 20 0 FIADHM O=C(N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)c1cccc2n[n-]nc21 ZINC000527362073 1109749807 /nfs/dbraw/zinc/74/98/07/1109749807.db2.gz MFOUJGVWJDIXBE-DZGCQCFKSA-N -1 3 374.366 4.043 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCC[C@@H](C)CC3)cc2)cc(=O)[n-]1 ZINC000527488368 1109766892 /nfs/dbraw/zinc/76/68/92/1109766892.db2.gz DXFJPCKOWCJZSZ-CJNGLKHVSA-N -1 3 354.454 4.248 20 0 FIADHM C[C@H]1CC[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)O1 ZINC000528228881 1109940485 /nfs/dbraw/zinc/94/04/85/1109940485.db2.gz DDONXEVJMHXEAC-SCLBCKFNSA-N -1 3 352.390 4.261 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC000528500506 1110007385 /nfs/dbraw/zinc/00/73/85/1110007385.db2.gz UUJXOYGCZJCQRH-GOSISDBHSA-N -1 3 374.437 4.095 20 0 FIADHM CC(C)CCn1nc(CNCc2c(F)ccc([O-])c2F)c2ccccc21 ZINC000449488727 1110090539 /nfs/dbraw/zinc/09/05/39/1110090539.db2.gz KOLRULLLFLYWCT-UHFFFAOYSA-N -1 3 359.420 4.356 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c(C)o1 ZINC000538453248 1111147415 /nfs/dbraw/zinc/14/74/15/1111147415.db2.gz DAWCLIVHNJVUOX-UHFFFAOYSA-N -1 3 353.749 4.369 20 0 FIADHM C[C@@H]1C[C@H]1[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000461435551 1111220916 /nfs/dbraw/zinc/22/09/16/1111220916.db2.gz YEDRHUOKUMJYRR-CBLJQSSYSA-N -1 3 366.848 4.309 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c1 ZINC000538744377 1111277829 /nfs/dbraw/zinc/27/78/29/1111277829.db2.gz IOOJXQSBXVOLPQ-DJJJIMSYSA-N -1 3 359.853 4.210 20 0 FIADHM Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000462207534 1111534758 /nfs/dbraw/zinc/53/47/58/1111534758.db2.gz FZOQMRJSJCKNKI-UHFFFAOYSA-N -1 3 370.274 4.447 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2Br)c1F ZINC000539400362 1111550630 /nfs/dbraw/zinc/55/06/30/1111550630.db2.gz KASQBWMVQIZZTO-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc([O-])ccc1Cl ZINC000552423031 1111707837 /nfs/dbraw/zinc/70/78/37/1111707837.db2.gz NQNIFWGRPISLMT-UHFFFAOYSA-N -1 3 365.685 4.273 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(-n4cccc4)c3)c[n-]c12 ZINC000553097052 1111906039 /nfs/dbraw/zinc/90/60/39/1111906039.db2.gz PZONTAKSJLVTKZ-UHFFFAOYSA-N -1 3 361.376 4.019 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1 ZINC000553911000 1112128633 /nfs/dbraw/zinc/12/86/33/1112128633.db2.gz AXBHOHSNUZFUEZ-UHFFFAOYSA-N -1 3 373.412 4.276 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898417746 1112230711 /nfs/dbraw/zinc/23/07/11/1112230711.db2.gz QDVZKYUKIYBDCV-HXUWFJFHSA-N -1 3 354.425 4.003 20 0 FIADHM CSc1ccc([O-])c(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000667647701 1112352589 /nfs/dbraw/zinc/35/25/89/1112352589.db2.gz CESASFVJHCQGOG-OXQOHEQNSA-N -1 3 371.502 4.354 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000554647124 1112433257 /nfs/dbraw/zinc/43/32/57/1112433257.db2.gz MLIMUMVMFPGWOQ-KRWDZBQOSA-N -1 3 368.452 4.260 20 0 FIADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480623814 1112514326 /nfs/dbraw/zinc/51/43/26/1112514326.db2.gz GVXGWAXKDBJAAR-MOPGFXCFSA-N -1 3 360.413 4.108 20 0 FIADHM [O-]c1ccc(CNc2nc(-c3cccs3)nc3ccccc32)cc1F ZINC000554864203 1112543951 /nfs/dbraw/zinc/54/39/51/1112543951.db2.gz QIYACPHSZDOKRN-UHFFFAOYSA-N -1 3 351.406 4.237 20 0 FIADHM CC(C)(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156543115 1112599166 /nfs/dbraw/zinc/59/91/66/1112599166.db2.gz KOMQMRNHOPUWCQ-UHFFFAOYSA-N -1 3 362.267 4.040 20 0 FIADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1cccc(Cl)c1Cl ZINC000480848865 1112635818 /nfs/dbraw/zinc/63/58/18/1112635818.db2.gz UHGHSSVPERKPBV-ZDUSSCGKSA-N -1 3 372.273 4.055 20 0 FIADHM O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cc(-c2ccccc2)ccc1Cl ZINC000555553127 1112921682 /nfs/dbraw/zinc/92/16/82/1112921682.db2.gz OSAVHMKHTNJSRX-UHFFFAOYSA-N -1 3 374.831 4.466 20 0 FIADHM C[C@@H]1CCCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000481565307 1112979284 /nfs/dbraw/zinc/97/92/84/1112979284.db2.gz HTUCQRUPDFOBRD-CYBMUJFWSA-N -1 3 371.481 4.413 20 0 FIADHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CC1)c1cc(F)ccc1Cl ZINC000482171084 1113191575 /nfs/dbraw/zinc/19/15/75/1113191575.db2.gz UCZBSFJVPWHLFU-UHFFFAOYSA-N -1 3 360.237 4.100 20 0 FIADHM Cc1oc(CN(C)CCCOc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000568064576 1113358927 /nfs/dbraw/zinc/35/89/27/1113358927.db2.gz IUAYKOUAWGWTTM-UHFFFAOYSA-N -1 3 371.355 4.206 20 0 FIADHM COc1cccc(C)c1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907769424 1113575695 /nfs/dbraw/zinc/57/56/95/1113575695.db2.gz UNXDPDFKIJACKI-UHFFFAOYSA-N -1 3 363.439 4.059 20 0 FIADHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000907779500 1113577970 /nfs/dbraw/zinc/57/79/70/1113577970.db2.gz YYVVJNXPDHJOBN-INIZCTEOSA-N -1 3 357.841 4.080 20 0 FIADHM CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000486625866 1113604825 /nfs/dbraw/zinc/60/48/25/1113604825.db2.gz KPHTZMMUHSVFSP-RYUDHWBXSA-N -1 3 369.303 4.263 20 0 FIADHM Cc1c([O-])ccc2c(CN[C@H](C)c3c(F)cccc3Cl)cc(=O)oc12 ZINC000175024877 1113901129 /nfs/dbraw/zinc/90/11/29/1113901129.db2.gz ZFJOCUNCRITJSN-LLVKDONJSA-N -1 3 361.800 4.450 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1csc2ccccc12 ZINC000488670873 1113970282 /nfs/dbraw/zinc/97/02/82/1113970282.db2.gz CGBPDXPYNRLZKP-UHFFFAOYSA-N -1 3 362.248 4.299 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]cc1-c1ccccc1 ZINC000488672679 1113970766 /nfs/dbraw/zinc/97/07/66/1113970766.db2.gz GCSGLPSQPJIIKE-UHFFFAOYSA-N -1 3 371.234 4.080 20 0 FIADHM CCc1ccc([C@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488659685 1113971926 /nfs/dbraw/zinc/97/19/26/1113971926.db2.gz QUPCHRNBZWCTPR-LBPRGKRZSA-N -1 3 362.267 4.137 20 0 FIADHM O=C(Cc1ccc2ccccc2c1)NCc1ccc([O-])c(Br)c1 ZINC000488659075 1113972165 /nfs/dbraw/zinc/97/21/65/1113972165.db2.gz PGRVYGBRBUALJF-UHFFFAOYSA-N -1 3 370.246 4.167 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2ccccc2s1 ZINC000488688306 1113973256 /nfs/dbraw/zinc/97/32/56/1113973256.db2.gz STAAWVXWVURPNI-UHFFFAOYSA-N -1 3 362.248 4.299 20 0 FIADHM CC(C)(C)n1ncc(C(=O)Nc2cc(F)ccc2[O-])c1-c1ccccc1 ZINC000488729919 1113985528 /nfs/dbraw/zinc/98/55/28/1113985528.db2.gz FCZPNXVLONZJLP-UHFFFAOYSA-N -1 3 353.397 4.402 20 0 FIADHM CSc1cc(O)ccc1[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC000489124442 1114052444 /nfs/dbraw/zinc/05/24/44/1114052444.db2.gz PXPHTKRXMYTUSM-UHFFFAOYSA-N -1 3 361.423 4.024 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000490100377 1114214876 /nfs/dbraw/zinc/21/48/76/1114214876.db2.gz YQHSQOMMJRETDJ-UHFFFAOYSA-N -1 3 374.805 4.150 20 0 FIADHM CC(C)CN(Cc1cccc(Cl)c1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912829321 1114220755 /nfs/dbraw/zinc/22/07/55/1114220755.db2.gz JMRUFRVTLNEWOE-UHFFFAOYSA-N -1 3 359.857 4.011 20 0 FIADHM COc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1Cl ZINC000490670491 1114315726 /nfs/dbraw/zinc/31/57/26/1114315726.db2.gz JQEVXLORLCGLDT-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)c(F)cc2Cl)c([O-])c1 ZINC000490789609 1114332625 /nfs/dbraw/zinc/33/26/25/1114332625.db2.gz FJFGBEVAAUWSEJ-UHFFFAOYSA-N -1 3 372.179 4.267 20 0 FIADHM Cc1cccc2sc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)c(Cl)c21 ZINC000586758052 1114388536 /nfs/dbraw/zinc/38/85/36/1114388536.db2.gz DCTVNAXGHUBCFZ-UHFFFAOYSA-N -1 3 368.849 4.322 20 0 FIADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cncc(F)c1 ZINC001299211122 1114503901 /nfs/dbraw/zinc/50/39/01/1114503901.db2.gz DFHSBZYZZKBFCS-CQSZACIVSA-N -1 3 350.393 4.008 20 0 FIADHM CCc1ccc(-c2nc(CN3[C@H](C)[C@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000571896569 1114544597 /nfs/dbraw/zinc/54/45/97/1114544597.db2.gz GQKSIVKRAWEPHH-PMUMKWKESA-N -1 3 358.507 4.446 20 0 FIADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])c1ccccc1F ZINC000588638595 1114589808 /nfs/dbraw/zinc/58/98/08/1114589808.db2.gz OLUALARBWJJYRH-SNVBAGLBSA-N -1 3 352.203 4.426 20 0 FIADHM Cc1sc(NC(=O)c2cccc3n[n-]nc32)nc1-c1cccc(Cl)c1 ZINC000572323248 1114629987 /nfs/dbraw/zinc/62/99/87/1114629987.db2.gz QIWNLRNOKRBYMO-UHFFFAOYSA-N -1 3 369.837 4.296 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4c3ccn4C)c2)n1 ZINC000588846210 1114657523 /nfs/dbraw/zinc/65/75/23/1114657523.db2.gz RWGIFLWVVCUAJY-UHFFFAOYSA-N -1 3 372.428 4.156 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c(C)s1 ZINC000590263283 1114917932 /nfs/dbraw/zinc/91/79/32/1114917932.db2.gz LKHGAACOZDUOLF-UHFFFAOYSA-N -1 3 353.362 4.324 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000590800004 1114976644 /nfs/dbraw/zinc/97/66/44/1114976644.db2.gz MSAJZKBLHMOLHR-QZTJIDSGSA-N -1 3 368.481 4.494 20 0 FIADHM Cc1sc2ncnc([N-]N=C3C(=O)Nc4c3c(Cl)ccc4C)c2c1C ZINC000057780075 1114997225 /nfs/dbraw/zinc/99/72/25/1114997225.db2.gz XGUZBFWJDCXNSH-UHFFFAOYSA-N -1 3 371.853 4.038 20 0 FIADHM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000591398485 1115077571 /nfs/dbraw/zinc/07/75/71/1115077571.db2.gz KRFLCILNICVERI-NSHDSACASA-N -1 3 362.303 4.329 20 0 FIADHM CCC[C@@]1(COC)CCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000573734623 1115179175 /nfs/dbraw/zinc/17/91/75/1115179175.db2.gz XMUKJXCBOWNVFH-FQEVSTJZSA-N -1 3 374.506 4.289 20 0 FIADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1csc(-c2ccccc2)n1 ZINC000593301661 1115314421 /nfs/dbraw/zinc/31/44/21/1115314421.db2.gz REAJMFUWPJVADW-UHFFFAOYSA-N -1 3 370.455 4.035 20 0 FIADHM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1c([O-])cccc1Cl ZINC000574322123 1115346702 /nfs/dbraw/zinc/34/67/02/1115346702.db2.gz KDTPXIDFFUYDFK-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM Cc1cc(C(=O)COC(=O)c2cc3ccsc3[n-]2)c(Cl)cc1F ZINC000761040145 1115355973 /nfs/dbraw/zinc/35/59/73/1115355973.db2.gz YYOCTULFLUKXMV-UHFFFAOYSA-N -1 3 351.786 4.370 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000605492604 1115904174 /nfs/dbraw/zinc/90/41/74/1115904174.db2.gz OXRXQLLYATZHTJ-GFCCVEGCSA-N -1 3 351.855 4.081 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1 ZINC000606343321 1115937694 /nfs/dbraw/zinc/93/76/94/1115937694.db2.gz QZBBBEQGJXQRIY-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc([O-])c(F)c1 ZINC000606537334 1115954045 /nfs/dbraw/zinc/95/40/45/1115954045.db2.gz CISGEGWYUGONSB-UHFFFAOYSA-N -1 3 357.356 4.179 20 0 FIADHM CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1Cl ZINC000606687970 1115964412 /nfs/dbraw/zinc/96/44/12/1115964412.db2.gz AZEMJDZBORLHQM-UHFFFAOYSA-N -1 3 368.811 4.101 20 0 FIADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000606871578 1115979200 /nfs/dbraw/zinc/97/92/00/1115979200.db2.gz IDVYCODAKXZGNA-LJQANCHMSA-N -1 3 364.445 4.441 20 0 FIADHM O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1cc(Cl)ccc1Cl ZINC000606909979 1115981880 /nfs/dbraw/zinc/98/18/80/1115981880.db2.gz HEKSTHPYKJFHDJ-UHFFFAOYSA-N -1 3 360.237 4.100 20 0 FIADHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(Sc2ccccc2)c1 ZINC000607103480 1115998521 /nfs/dbraw/zinc/99/85/21/1115998521.db2.gz CODJGIIFVIAJKS-MRXNPFEDSA-N -1 3 363.504 4.149 20 0 FIADHM CCC[C@]1(C)CCCN(Cn2c(Cc3cccs3)n[n-]c2=S)C1 ZINC000173535402 1116072873 /nfs/dbraw/zinc/07/28/73/1116072873.db2.gz JVDVFKMFJJZERC-QGZVFWFLSA-N -1 3 350.557 4.453 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cc(SC)ccc2Cl)c([O-])c1 ZINC000534093494 1116158165 /nfs/dbraw/zinc/15/81/65/1116158165.db2.gz QDXGNFSQZHOLIY-UHFFFAOYSA-N -1 3 365.838 4.197 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000456432733 1116188040 /nfs/dbraw/zinc/18/80/40/1116188040.db2.gz UQBVZCXSHUQLIA-AWEZNQCLSA-N -1 3 367.342 4.075 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccc(F)cc1F ZINC000456819778 1116220240 /nfs/dbraw/zinc/22/02/40/1116220240.db2.gz ADAUOVIOCDXRRD-SFHVURJKSA-N -1 3 363.379 4.496 20 0 FIADHM CN(C)[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1c(F)cccc1Cl ZINC000534704330 1116227380 /nfs/dbraw/zinc/22/73/80/1116227380.db2.gz GJRZTPZNFGBTEG-OAHLLOKOSA-N -1 3 357.212 4.080 20 0 FIADHM COc1cccc([C@H]2C[C@H](N(C)C(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000456929639 1116232755 /nfs/dbraw/zinc/23/27/55/1116232755.db2.gz VWJPSLSXYWJAJY-IYARVYRRSA-N -1 3 371.452 4.267 20 0 FIADHM COc1ccc(C[C@@H](C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000534799944 1116239424 /nfs/dbraw/zinc/23/94/24/1116239424.db2.gz ZKGNVIPVOXYOMY-LLVKDONJSA-N -1 3 353.340 4.237 20 0 FIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)c1F ZINC000534930517 1116253514 /nfs/dbraw/zinc/25/35/14/1116253514.db2.gz WZHIUHUEEQSAFP-UHFFFAOYSA-N -1 3 368.796 4.036 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)c1 ZINC000535134095 1116274784 /nfs/dbraw/zinc/27/47/84/1116274784.db2.gz MDSQISTYOLQHPM-UYAOXDASSA-N -1 3 366.461 4.067 20 0 FIADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3)o[n-]2)nn1C1CCCCC1 ZINC000539561395 1116343922 /nfs/dbraw/zinc/34/39/22/1116343922.db2.gz KRVUMJSRNSBKAS-UHFFFAOYSA-N -1 3 350.422 4.026 20 0 FIADHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cccc(Cl)c1[N+](=O)[O-] ZINC000324012814 1116380674 /nfs/dbraw/zinc/38/06/74/1116380674.db2.gz LTOLIHOUUWYWPI-UHFFFAOYSA-N -1 3 356.121 4.062 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C4CCC4)c3)c[n-]c12 ZINC000462726796 1116395481 /nfs/dbraw/zinc/39/54/81/1116395481.db2.gz LANYALNBVRLRBD-UHFFFAOYSA-N -1 3 350.393 4.495 20 0 FIADHM CO[C@@H](C)c1nsc([N-]C(=O)c2cc3c(cccc3Cl)s2)n1 ZINC000669852638 1117774188 /nfs/dbraw/zinc/77/41/88/1117774188.db2.gz HBBAARHGPLBOOC-ZETCQYMHSA-N -1 3 353.856 4.366 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CCc3ccc(C)o3)nc2)n1 ZINC000463076249 1117958867 /nfs/dbraw/zinc/95/88/67/1117958867.db2.gz IXIPMPYTYLMGNA-CYBMUJFWSA-N -1 3 352.438 4.141 20 0 FIADHM O=C([N-]c1ccccc1SC1CCCC1)c1nnc2ccccc2n1 ZINC000540396596 1118040888 /nfs/dbraw/zinc/04/08/88/1118040888.db2.gz GZPBJBFODKKUQQ-UHFFFAOYSA-N -1 3 350.447 4.312 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2occc2COc2ccccc2)[nH][n-]1 ZINC000540419861 1118047202 /nfs/dbraw/zinc/04/72/02/1118047202.db2.gz NCEILDJHRBKJAG-UHFFFAOYSA-N -1 3 373.412 4.231 20 0 FIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c(Cl)c1 ZINC000540497682 1118094271 /nfs/dbraw/zinc/09/42/71/1118094271.db2.gz ABUDOUAKQYVJLD-UHFFFAOYSA-N -1 3 373.261 4.061 20 0 FIADHM CCCc1ccc(-c2nc([N-]C(=O)c3cc(OC)no3)sc2C)cc1 ZINC000541545928 1118550448 /nfs/dbraw/zinc/55/04/48/1118550448.db2.gz QCFGIEPGSRARHX-UHFFFAOYSA-N -1 3 357.435 4.320 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000541739661 1118627527 /nfs/dbraw/zinc/62/75/27/1118627527.db2.gz ACPYCBIFODEGIB-PXNSSMCTSA-N -1 3 357.425 4.086 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000542384787 1118919823 /nfs/dbraw/zinc/91/98/23/1118919823.db2.gz YAUKJPRPGAOXHL-UHFFFAOYSA-N -1 3 366.270 4.457 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(NCCc3ccccc3)cc2)c1[O-] ZINC000303373931 1118926135 /nfs/dbraw/zinc/92/61/35/1118926135.db2.gz MFFMELZTJGYCPJ-UHFFFAOYSA-N -1 3 362.429 4.308 20 0 FIADHM CCc1c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cnn1CCC(C)C ZINC000491599090 1118967441 /nfs/dbraw/zinc/96/74/41/1118967441.db2.gz NURCIOUICSXPPK-INIZCTEOSA-N -1 3 363.527 4.037 20 0 FIADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000175383842 1119204713 /nfs/dbraw/zinc/20/47/13/1119204713.db2.gz ISKBMDIYGQVINF-LJQANCHMSA-N -1 3 364.445 4.054 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000177918288 1119361067 /nfs/dbraw/zinc/36/10/67/1119361067.db2.gz LWKXGSGPVMVFLP-LBPRGKRZSA-N -1 3 372.856 4.226 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186085122 1119704481 /nfs/dbraw/zinc/70/44/81/1119704481.db2.gz VUCYLEWICQSFCW-UHFFFAOYSA-N -1 3 368.846 4.269 20 0 FIADHM Cc1nc(S(=O)(=O)[C@H](C)c2ccc(F)c(F)c2)[n-]c1-c1ccccc1 ZINC000186841493 1119752262 /nfs/dbraw/zinc/75/22/62/1119752262.db2.gz CISHYAMNCYZDQI-GFCCVEGCSA-N -1 3 362.401 4.198 20 0 FIADHM Cc1[n-]c(S(=O)(=O)[C@H](C)c2ccc(F)c(F)c2)nc1-c1ccccc1 ZINC000186841493 1119752266 /nfs/dbraw/zinc/75/22/66/1119752266.db2.gz CISHYAMNCYZDQI-GFCCVEGCSA-N -1 3 362.401 4.198 20 0 FIADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000494322848 1119832532 /nfs/dbraw/zinc/83/25/32/1119832532.db2.gz MLINKAMZXNLAAA-QMMMGPOBSA-N -1 3 364.216 4.393 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C4CCC4)cc3)cc2)n1 ZINC000190120280 1119928290 /nfs/dbraw/zinc/92/82/90/1119928290.db2.gz SMBNWUXWONKGHM-UHFFFAOYSA-N -1 3 359.429 4.265 20 0 FIADHM Cc1csc(C(=O)[N-]c2c(F)cc(F)cc2F)c1Br ZINC000191435946 1119977223 /nfs/dbraw/zinc/97/72/23/1119977223.db2.gz XHCJYSGFTYCQRU-UHFFFAOYSA-N -1 3 350.159 4.489 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494662196 1120020922 /nfs/dbraw/zinc/02/09/22/1120020922.db2.gz CJOXHWZZVGEKPV-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM FC(F)(F)[C@H]([N-]c1nc(Cl)cc(-n2cccc2)n1)c1ccccn1 ZINC001168476108 1120447123 /nfs/dbraw/zinc/44/71/23/1120447123.db2.gz BVQSIYWHPAEVGH-CYBMUJFWSA-N -1 3 353.735 4.031 20 0 FIADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)NC1CCCCCC1 ZINC000914890990 1120627849 /nfs/dbraw/zinc/62/78/49/1120627849.db2.gz GRAMIWGSLOSERF-MRXNPFEDSA-N -1 3 362.495 4.250 20 0 FIADHM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914889992 1120627930 /nfs/dbraw/zinc/62/79/30/1120627930.db2.gz AMJZDRRGHVWJLB-SNVBAGLBSA-N -1 3 360.460 4.135 20 0 FIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000914891395 1120630440 /nfs/dbraw/zinc/63/04/40/1120630440.db2.gz JZCVJBJJZAKMIN-SMDDNHRTSA-N -1 3 374.487 4.200 20 0 FIADHM Cc1cccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c1[O-] ZINC000915151618 1120842393 /nfs/dbraw/zinc/84/23/93/1120842393.db2.gz GMWCJVJGPIKUPI-UHFFFAOYSA-N -1 3 360.385 4.439 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(SC(C)(C)C)cn3)no2)c1 ZINC000762391197 1120900571 /nfs/dbraw/zinc/90/05/71/1120900571.db2.gz QDERGKJGYCLKPG-UHFFFAOYSA-N -1 3 357.435 4.403 20 0 FIADHM CC(C)(C)c1nnc([N-]C(=O)c2csc(NC3CCCCC3)n2)s1 ZINC001626463340 1120950423 /nfs/dbraw/zinc/95/04/23/1120950423.db2.gz JEZCKWNJEZXNLE-UHFFFAOYSA-N -1 3 365.528 4.289 20 0 FIADHM O=C(Nc1ccc(N2CCCCCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000053791740 1120964530 /nfs/dbraw/zinc/96/45/30/1120964530.db2.gz QPYFFJDRLSTQPQ-UHFFFAOYSA-N -1 3 361.445 4.161 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4cccs4)n3)n[nH]2)cc1 ZINC000028856150 1121025067 /nfs/dbraw/zinc/02/50/67/1121025067.db2.gz PQTBNZPLVTULOB-UHFFFAOYSA-N -1 3 367.459 4.217 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1C ZINC000032591270 1121057764 /nfs/dbraw/zinc/05/77/64/1121057764.db2.gz RZTOEVWFMMQDPO-UHFFFAOYSA-N -1 3 359.419 4.119 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042759911 1121171927 /nfs/dbraw/zinc/17/19/27/1121171927.db2.gz AZMUZYWZENXWHW-UHFFFAOYSA-N -1 3 356.809 4.207 20 0 FIADHM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471938446 1121176264 /nfs/dbraw/zinc/17/62/64/1121176264.db2.gz BWPFMRQYLALJAZ-UHFFFAOYSA-N -1 3 356.328 4.034 20 0 FIADHM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471962207 1121176642 /nfs/dbraw/zinc/17/66/42/1121176642.db2.gz AYVGJGCLSDXYQG-UHFFFAOYSA-N -1 3 374.440 4.342 20 0 FIADHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472089802 1121182858 /nfs/dbraw/zinc/18/28/58/1121182858.db2.gz ILOHBYXEWLWFKK-AWEZNQCLSA-N -1 3 359.429 4.406 20 0 FIADHM COc1ccccc1Oc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000763268923 1121311299 /nfs/dbraw/zinc/31/12/99/1121311299.db2.gz YRWFVSFNPLTPEV-SFHVURJKSA-N -1 3 358.394 4.067 20 0 FIADHM COc1ccccc1Oc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000763268923 1121311310 /nfs/dbraw/zinc/31/13/10/1121311310.db2.gz YRWFVSFNPLTPEV-SFHVURJKSA-N -1 3 358.394 4.067 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)c(C)c1 ZINC000064476866 1121615908 /nfs/dbraw/zinc/61/59/08/1121615908.db2.gz OQGHQIUSXKXLJI-UHFFFAOYSA-N -1 3 351.493 4.307 20 0 FIADHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000064952363 1121646390 /nfs/dbraw/zinc/64/63/90/1121646390.db2.gz UNTLVLNPIWAXOZ-GFCCVEGCSA-N -1 3 374.289 4.048 20 0 FIADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000064952753 1121646407 /nfs/dbraw/zinc/64/64/07/1121646407.db2.gz CEQXGPWEEBADAV-SNVBAGLBSA-N -1 3 362.253 4.042 20 0 FIADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1ccc(F)cc1F ZINC000065813411 1121709530 /nfs/dbraw/zinc/70/95/30/1121709530.db2.gz GVZYPUJFWLRPPU-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1sccc1Br ZINC000125264135 1121763043 /nfs/dbraw/zinc/76/30/43/1121763043.db2.gz VTWKASBVDNSVQP-UHFFFAOYSA-N -1 3 366.158 4.487 20 0 FIADHM CCc1cc(=O)[n-]c(CSCCCC(=O)Nc2c(C)cccc2C)n1 ZINC000125730402 1121819565 /nfs/dbraw/zinc/81/95/65/1121819565.db2.gz ILHOGDQYNXQNKO-UHFFFAOYSA-N -1 3 359.495 4.014 20 0 FIADHM CCC(=CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccc(C)cc1 ZINC001127418755 1121844908 /nfs/dbraw/zinc/84/49/08/1121844908.db2.gz KXCKPCHVZFIETK-WYMLVPIESA-N -1 3 363.417 4.090 20 0 FIADHM CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC000069667151 1121875343 /nfs/dbraw/zinc/87/53/43/1121875343.db2.gz LMPPJVXBYQHTAY-UHFFFAOYSA-N -1 3 367.430 4.035 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)c4ccccc34)nc21 ZINC001127420413 1121893865 /nfs/dbraw/zinc/89/38/65/1121893865.db2.gz YPDILLQZBYKIOA-UHFFFAOYSA-N -1 3 359.385 4.063 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1sccc1OC(F)F ZINC000126471398 1121957894 /nfs/dbraw/zinc/95/78/94/1121957894.db2.gz ZPAXOLLNKJKKMC-UHFFFAOYSA-N -1 3 364.167 4.070 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)c([O-])c1 ZINC000671821429 1122035392 /nfs/dbraw/zinc/03/53/92/1122035392.db2.gz QAOIVABMRHZARK-LJQANCHMSA-N -1 3 367.493 4.105 20 0 FIADHM O=C([N-]c1c(F)cc(Br)cc1F)c1ccc(F)c(F)c1F ZINC000127299545 1122075648 /nfs/dbraw/zinc/07/56/48/1122075648.db2.gz CGXUETOEODJWFY-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2cccc([O-])c2F)c1 ZINC000128292798 1122225485 /nfs/dbraw/zinc/22/54/85/1122225485.db2.gz LXPSTABWAUWPSA-UHFFFAOYSA-N -1 3 371.437 4.065 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cnc(-c2ccccc2F)s1 ZINC000497580274 1122294922 /nfs/dbraw/zinc/29/49/22/1122294922.db2.gz ZJJLEYCEIHUAGA-UHFFFAOYSA-N -1 3 364.405 4.014 20 0 FIADHM C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128577584 1122349611 /nfs/dbraw/zinc/34/96/11/1122349611.db2.gz YLOOUMIPQUGNMK-SECBINFHSA-N -1 3 370.243 4.413 20 0 FIADHM CCSc1ccc(Cl)cc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000497736280 1122381161 /nfs/dbraw/zinc/38/11/61/1122381161.db2.gz NWNGMDVTUMWJDC-UHFFFAOYSA-N -1 3 362.842 4.391 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccccc3COc3ccccc3)n[n-]2)o1 ZINC000497744444 1122393704 /nfs/dbraw/zinc/39/37/04/1122393704.db2.gz DIXXTPVEXZVCHT-UHFFFAOYSA-N -1 3 374.400 4.204 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(Cc1ccccc1Cl)CC1CC1 ZINC000497783068 1122404427 /nfs/dbraw/zinc/40/44/27/1122404427.db2.gz CFCAITLKIBDSBP-UHFFFAOYSA-N -1 3 362.832 4.307 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1C ZINC000917746194 1122426078 /nfs/dbraw/zinc/42/60/78/1122426078.db2.gz HEWQUYFGYAWTNJ-UHFFFAOYSA-N -1 3 350.459 4.088 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)COc2ccccc2)c1Cl ZINC000917923824 1122481531 /nfs/dbraw/zinc/48/15/31/1122481531.db2.gz VSOHHESUNZHSBB-GFCCVEGCSA-N -1 3 374.289 4.048 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000129122480 1122538165 /nfs/dbraw/zinc/53/81/65/1122538165.db2.gz FRSSVQDXTDAZOB-NWDGAFQWSA-N -1 3 350.187 4.036 20 0 FIADHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc2ccccc2c1 ZINC000918199109 1122589311 /nfs/dbraw/zinc/58/93/11/1122589311.db2.gz SVRKHQVFFVASIP-CQSZACIVSA-N -1 3 369.442 4.129 20 0 FIADHM Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4F)c3)[n-]c(=O)c2c1 ZINC000069579194 1122627044 /nfs/dbraw/zinc/62/70/44/1122627044.db2.gz JLWGSCWXTQFMHE-UHFFFAOYSA-N -1 3 373.387 4.290 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc4ccccc4n3C(F)F)n[n-]2)o1 ZINC000918501638 1122664522 /nfs/dbraw/zinc/66/45/22/1122664522.db2.gz YVONPIDPRXAFIN-UHFFFAOYSA-N -1 3 372.331 4.080 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc4ccccc4n3C(F)F)[n-]n2)o1 ZINC000918501638 1122664524 /nfs/dbraw/zinc/66/45/24/1122664524.db2.gz YVONPIDPRXAFIN-UHFFFAOYSA-N -1 3 372.331 4.080 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000556177437 1122717233 /nfs/dbraw/zinc/71/72/33/1122717233.db2.gz UCUYLSOUHLNPIX-UHFFFAOYSA-N -1 3 350.875 4.094 20 0 FIADHM Cc1cc(C)cc(-c2nnc(NC(=O)c3cc([O-])ccc3Cl)s2)c1 ZINC000556191805 1122724058 /nfs/dbraw/zinc/72/40/58/1122724058.db2.gz QJDIQHAAROFTDH-UHFFFAOYSA-N -1 3 359.838 4.433 20 0 FIADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000498348101 1122740253 /nfs/dbraw/zinc/74/02/53/1122740253.db2.gz KIOVXHFXKODEKL-UHFFFAOYSA-N -1 3 354.837 4.232 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)C(C)C)n[n-]2)o1 ZINC000919328946 1122952542 /nfs/dbraw/zinc/95/25/42/1122952542.db2.gz JDAOVXCCAKKUEX-IBGZPJMESA-N -1 3 352.390 4.042 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)c3ccccc3)C(C)C)[n-]n2)o1 ZINC000919328946 1122952543 /nfs/dbraw/zinc/95/25/43/1122952543.db2.gz JDAOVXCCAKKUEX-IBGZPJMESA-N -1 3 352.390 4.042 20 0 FIADHM CCOc1cc(CNc2cccc([C@H]3CCC(=O)N3)c2)cc(Cl)c1[O-] ZINC000556893904 1123170319 /nfs/dbraw/zinc/17/03/19/1123170319.db2.gz UOUTYAPRNXQLCX-MRXNPFEDSA-N -1 3 360.841 4.008 20 0 FIADHM CC(C)c1ncc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)s1 ZINC000132923175 1123383667 /nfs/dbraw/zinc/38/36/67/1123383667.db2.gz WWVUXSHQRUIVMZ-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM O=C(CCCOc1cccc(Cl)c1Cl)[N-]OCc1ccccc1 ZINC000921166980 1123574699 /nfs/dbraw/zinc/57/46/99/1123574699.db2.gz VUUFSCKSSNNGNO-UHFFFAOYSA-N -1 3 354.233 4.400 20 0 FIADHM C[C@@H]1CSc2ccccc2N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000134157335 1123597526 /nfs/dbraw/zinc/59/75/26/1123597526.db2.gz BWIGFGKTZMPTSR-GFCCVEGCSA-N -1 3 363.442 4.170 20 0 FIADHM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000175015709 1123712262 /nfs/dbraw/zinc/71/22/62/1123712262.db2.gz PWBKIOGKHZQNBZ-MDZDMXLPSA-N -1 3 357.353 4.148 20 0 FIADHM C[C@H](Sc1ncc[nH]1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000079005830 1123831451 /nfs/dbraw/zinc/83/14/51/1123831451.db2.gz HKVJKUKQVKQLPO-QMMMGPOBSA-N -1 3 360.489 4.290 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(Br)c1)c1ccccc1 ZINC000137121486 1123962928 /nfs/dbraw/zinc/96/29/28/1123962928.db2.gz HEUWKOVGMYDUBR-AWEZNQCLSA-N -1 3 354.631 4.018 20 0 FIADHM O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1cc(Br)ccc1[O-] ZINC000765886475 1124319369 /nfs/dbraw/zinc/31/93/69/1124319369.db2.gz VPVLFJJMTKTDNE-QHHAFSJGSA-N -1 3 357.207 4.288 20 0 FIADHM O=C(CCCOc1cccc(F)c1)Nc1ccc(Br)cc1[O-] ZINC000617015913 1124436456 /nfs/dbraw/zinc/43/64/56/1124436456.db2.gz PVIVNCXWBKONRA-UHFFFAOYSA-N -1 3 368.202 4.092 20 0 FIADHM COc1cc(C(=O)N2CCC[C@H]2c2c(C)cccc2C)cc(OC)c1[O-] ZINC000617177107 1124476066 /nfs/dbraw/zinc/47/60/66/1124476066.db2.gz MITUDVHMIPOTGJ-INIZCTEOSA-N -1 3 355.434 4.004 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000303876436 1124507980 /nfs/dbraw/zinc/50/79/80/1124507980.db2.gz YAXBMMOAULYADR-UHFFFAOYSA-N -1 3 362.813 4.238 20 0 FIADHM CSc1ccc(Cl)c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000617362081 1124521569 /nfs/dbraw/zinc/52/15/69/1124521569.db2.gz FRFDNNYQPPJRJT-UHFFFAOYSA-N -1 3 365.886 4.416 20 0 FIADHM CC(C)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC001212435836 1124565463 /nfs/dbraw/zinc/56/54/63/1124565463.db2.gz TVJVGOOITWQRJY-UHFFFAOYSA-N -1 3 372.515 4.066 20 0 FIADHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000073319419 1124706678 /nfs/dbraw/zinc/70/66/78/1124706678.db2.gz GYKBGMXSTOZPHU-PHIMTYICSA-N -1 3 363.255 4.106 20 0 FIADHM Cc1ncsc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC000110169539 1124719967 /nfs/dbraw/zinc/71/99/67/1124719967.db2.gz UYKXMLSRGCZELE-UHFFFAOYSA-N -1 3 352.371 4.274 20 0 FIADHM Cc1ccc(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c([O-])c1 ZINC000619125530 1124842649 /nfs/dbraw/zinc/84/26/49/1124842649.db2.gz CVKYCTBPAPVZQI-UHFFFAOYSA-N -1 3 357.294 4.484 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2ccc(Br)cc2)CC1 ZINC000111211431 1124877273 /nfs/dbraw/zinc/87/72/73/1124877273.db2.gz AMEBZQJDTYQIKF-UHFFFAOYSA-N -1 3 366.642 4.478 20 0 FIADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000649456473 1124923035 /nfs/dbraw/zinc/92/30/35/1124923035.db2.gz GDQKWWPOGMATBZ-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM O=c1nc(CN2CCC[C@H]3CCC[C@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000253547610 1124937581 /nfs/dbraw/zinc/93/75/81/1124937581.db2.gz ORDPTKZGTVGNEQ-TZMCWYRMSA-N -1 3 355.463 4.421 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 ZINC000064343178 1124990486 /nfs/dbraw/zinc/99/04/86/1124990486.db2.gz VZUQIBNFULHZQI-UHFFFAOYSA-N -1 3 373.334 4.016 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4ccccc4s3)cc2)n1 ZINC000064342732 1124990625 /nfs/dbraw/zinc/99/06/25/1124990625.db2.gz HCNULSIBDLHHDR-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM Nc1ccc(S(=O)(=O)[N-]c2ccc(C3CCCC3)cc2)cc1Cl ZINC001212457492 1125121416 /nfs/dbraw/zinc/12/14/16/1125121416.db2.gz GBCXJDPEACRBTK-UHFFFAOYSA-N -1 3 350.871 4.381 20 0 FIADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000465989854 1125227412 /nfs/dbraw/zinc/22/74/12/1125227412.db2.gz MZRPBUYWGJJVFK-SFHVURJKSA-N -1 3 358.457 4.393 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)ccc(C)c3F)c2)n1 ZINC000499617892 1125308316 /nfs/dbraw/zinc/30/83/16/1125308316.db2.gz QZJXZYUFVIQIOG-UHFFFAOYSA-N -1 3 369.371 4.251 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1cccc(Br)c1 ZINC000007387688 210095061 /nfs/dbraw/zinc/09/50/61/210095061.db2.gz WFGKEASTFKSSNH-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1 ZINC000090529853 524732485 /nfs/dbraw/zinc/73/24/85/524732485.db2.gz FXOWKZIQMWUDSH-UHFFFAOYSA-N -1 3 363.413 4.275 20 0 FIADHM O=c1nc(CSc2cccc(O)c2)[n-]c2scc(-c3ccco3)c21 ZINC000185666799 567846350 /nfs/dbraw/zinc/84/63/50/567846350.db2.gz FIDOQEACOBKTIJ-UHFFFAOYSA-N -1 3 356.428 4.243 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cc(C)sc2C)c1 ZINC000602255552 567960342 /nfs/dbraw/zinc/96/03/42/567960342.db2.gz ZEWOMMVLEGRYTD-JTQLQIEISA-N -1 3 359.900 4.066 20 0 FIADHM COC(=O)c1scc(C)c1[N-]C(=O)c1nc(-c2ccccc2)cs1 ZINC000186919089 568010082 /nfs/dbraw/zinc/01/00/82/568010082.db2.gz COHLMZJXGHJOPW-UHFFFAOYSA-N -1 3 358.444 4.219 20 0 FIADHM O=C([N-]c1ccsc1Cl)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000186969279 568030110 /nfs/dbraw/zinc/03/01/10/568030110.db2.gz QSLYKOAHGRIYME-UHFFFAOYSA-N -1 3 362.794 4.080 20 0 FIADHM O=C([O-])CCC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000301416141 568044113 /nfs/dbraw/zinc/04/41/13/568044113.db2.gz YGYSLVAUUUBPSD-UHFFFAOYSA-N -1 3 353.462 4.342 20 0 FIADHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(SC)ccc2[O-])s1 ZINC000669118201 568050353 /nfs/dbraw/zinc/05/03/53/568050353.db2.gz UTGFVZXGMTZHDU-LLVKDONJSA-N -1 3 350.509 4.275 20 0 FIADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000603502418 568108985 /nfs/dbraw/zinc/10/89/85/568108985.db2.gz KXCVXAPOFXPTJK-JQWIXIFHSA-N -1 3 374.289 4.329 20 0 FIADHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC2CCSCC2)c1Cl ZINC000603505602 568109628 /nfs/dbraw/zinc/10/96/28/568109628.db2.gz XXNVKUMSLHXDIX-UHFFFAOYSA-N -1 3 368.351 4.032 20 0 FIADHM CC(=O)c1sc2[n-]c(CSCc3ccccc3C)nc(=O)c2c1C ZINC000008482520 568319984 /nfs/dbraw/zinc/31/99/84/568319984.db2.gz PKMYTLRGOUULEJ-UHFFFAOYSA-N -1 3 358.488 4.237 20 0 FIADHM C[C@@H](c1ccccc1)N1CCC(N=c2[n-]nc(-c3ccccc3)s2)CC1 ZINC000604757356 568365249 /nfs/dbraw/zinc/36/52/49/568365249.db2.gz ADGUYWSHHFGFLV-INIZCTEOSA-N -1 3 364.518 4.265 20 0 FIADHM CCCN(CCC)C(=O)CCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000604902042 568385053 /nfs/dbraw/zinc/38/50/53/568385053.db2.gz XQAJYGLYTDEYTG-UHFFFAOYSA-N -1 3 354.878 4.111 20 0 FIADHM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccc(Cl)cc1 ZINC000005579494 568391119 /nfs/dbraw/zinc/39/11/19/568391119.db2.gz XRKMSFITDVXFIK-UHFFFAOYSA-N -1 3 360.822 4.328 20 0 FIADHM Cc1ccc(NC(=O)CSc2nccn2-c2cc(C)ccc2C)c([O-])c1 ZINC000007284578 568489819 /nfs/dbraw/zinc/48/98/19/568489819.db2.gz LYUNWIDHFFGGBH-UHFFFAOYSA-N -1 3 367.474 4.234 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000605010202 568516952 /nfs/dbraw/zinc/51/69/52/568516952.db2.gz RLGJVNGFXQVWRV-SFHVURJKSA-N -1 3 354.454 4.200 20 0 FIADHM CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C1CCCCC1 ZINC000007503549 568523991 /nfs/dbraw/zinc/52/39/91/568523991.db2.gz JMPJNXBOEQRZPN-UHFFFAOYSA-N -1 3 353.491 4.416 20 0 FIADHM C[C@H](SCc1cc2ccccc2[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187941 599326213 /nfs/dbraw/zinc/32/62/13/599326213.db2.gz DPIVEJLKIOQRAX-LBPRGKRZSA-N -1 3 363.446 4.115 20 0 FIADHM C[C@H](SCc1cc2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187941 599326216 /nfs/dbraw/zinc/32/62/16/599326216.db2.gz DPIVEJLKIOQRAX-LBPRGKRZSA-N -1 3 363.446 4.115 20 0 FIADHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000494378762 1119846131 /nfs/dbraw/zinc/84/61/31/1119846131.db2.gz SWUKWFXJJRQESL-QMMMGPOBSA-N -1 3 364.216 4.393 20 0 FIADHM Cc1ccc(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cn1 ZINC000543060028 1125577565 /nfs/dbraw/zinc/57/75/65/1125577565.db2.gz RHOBOBRGFCMJGO-UHFFFAOYSA-N -1 3 374.444 4.165 20 0 FIADHM COc1ccc(N[C@@H](C)c2ccc3c(c2)CCCC3)cc1[N-]S(C)(=O)=O ZINC000182730535 1125608258 /nfs/dbraw/zinc/60/82/58/1125608258.db2.gz SVHZOTBMOXGVPI-AWEZNQCLSA-N -1 3 374.506 4.119 20 0 FIADHM COc1ccc(N[C@@H](C)c2ccc(C(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000182733598 1125615133 /nfs/dbraw/zinc/61/51/33/1125615133.db2.gz JJOMRAMENUFEFN-AWEZNQCLSA-N -1 3 362.495 4.363 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000619929087 1125732785 /nfs/dbraw/zinc/73/27/85/1125732785.db2.gz WVQGEAMSTDYSRD-CJNGLKHVSA-N -1 3 354.454 4.105 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(-c2ccc(F)cc2)o1 ZINC000053209694 1079588198 /nfs/dbraw/zinc/58/81/98/1079588198.db2.gz POEJNHGJGDSDRI-UHFFFAOYSA-N -1 3 355.350 4.450 20 0 FIADHM O=c1[n-]c(SCc2cc(F)ccc2F)nc2c1cnn2-c1ccccc1 ZINC000053210665 1079748633 /nfs/dbraw/zinc/74/86/33/1079748633.db2.gz PLEBQKKRMBKINR-UHFFFAOYSA-N -1 3 370.384 4.092 20 0 FIADHM CCN(Cc1ncc(C(C)C)o1)Cc1cc(Br)ccc1[O-] ZINC000076118442 1125784284 /nfs/dbraw/zinc/78/42/84/1125784284.db2.gz XWYUGAQOZJYPCJ-UHFFFAOYSA-N -1 3 353.260 4.288 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)cc3cccnc32)cc1 ZINC000683172003 1079801218 /nfs/dbraw/zinc/80/12/18/1079801218.db2.gz SUYHIIMLBIZUEL-SFHVURJKSA-N -1 3 370.836 4.202 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1cccc(Br)c1 ZINC000683173452 1079814306 /nfs/dbraw/zinc/81/43/06/1079814306.db2.gz IMBSFQQNIRDSAC-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM CC(C)[C@H]1CCc2nc([N-]C(=O)c3ncoc3C(F)(F)F)sc2C1 ZINC000890592231 1080010909 /nfs/dbraw/zinc/01/09/09/1080010909.db2.gz APAJKBNJGNHSJO-QMMMGPOBSA-N -1 3 359.373 4.163 20 0 FIADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000890595172 1080033404 /nfs/dbraw/zinc/03/34/04/1080033404.db2.gz HLGXBEXRUXTMOK-VIFPVBQESA-N -1 3 373.400 4.472 20 0 FIADHM CCc1csc(CC2CCN(C(=O)c3cccc(CC)c3[O-])CC2)n1 ZINC000655261975 1080113856 /nfs/dbraw/zinc/11/38/56/1080113856.db2.gz MSTVIGOUAMREOM-UHFFFAOYSA-N -1 3 358.507 4.068 20 0 FIADHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Br)ccc2Cl)C1 ZINC000232746684 1080353069 /nfs/dbraw/zinc/35/30/69/1080353069.db2.gz MHGWUNCAMVZDPJ-HNNXBMFYSA-N -1 3 360.679 4.035 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000471241507 1080526141 /nfs/dbraw/zinc/52/61/41/1080526141.db2.gz QJNKYSWXTBTUNI-UHFFFAOYSA-N -1 3 361.829 4.084 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](c1ccco1)c1ccccc1 ZINC000471262327 1080645577 /nfs/dbraw/zinc/64/55/77/1080645577.db2.gz VTSSAMINIDRVAV-NRFANRHFSA-N -1 3 353.393 4.353 20 0 FIADHM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)cc1[O-] ZINC000153652657 1080704640 /nfs/dbraw/zinc/70/46/40/1080704640.db2.gz ONIBTIULPQDAAM-UHFFFAOYSA-N -1 3 360.772 4.411 20 0 FIADHM Cn1c(NC(=O)CCCc2ccc([O-])c(F)c2)nc2cccc(Cl)c21 ZINC000471289542 1080886524 /nfs/dbraw/zinc/88/65/24/1080886524.db2.gz TUOABMBWWONFBW-UHFFFAOYSA-N -1 3 361.804 4.033 20 0 FIADHM CC(C)(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000468031968 1081102082 /nfs/dbraw/zinc/10/20/82/1081102082.db2.gz YQOFOVBWYZDVGO-KRWDZBQOSA-N -1 3 366.383 4.396 20 0 FIADHM [O-]c1c(Cl)cccc1Nc1cnc2c(Cl)nc(Br)cn12 ZINC001210219456 1081194593 /nfs/dbraw/zinc/19/45/93/1081194593.db2.gz JFBWZJILPUDZOJ-UHFFFAOYSA-N -1 3 374.025 4.248 20 0 FIADHM CC(C)(C)c1nc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc2o1 ZINC000025302218 1081204101 /nfs/dbraw/zinc/20/41/01/1081204101.db2.gz IJAMKNVLDAZBMT-UHFFFAOYSA-N -1 3 361.401 4.219 20 0 FIADHM CCCCOc1ccc(C(=O)NCC(F)(F)c2cccc(F)c2)c([O-])c1 ZINC001648907831 1081441667 /nfs/dbraw/zinc/44/16/67/1081441667.db2.gz LROCHKNMXNXMES-UHFFFAOYSA-N -1 3 367.367 4.232 20 0 FIADHM O=c1cc(C(F)(F)F)nc(CNc2ccc(-c3ccco3)cc2F)[n-]1 ZINC000580034585 1081485266 /nfs/dbraw/zinc/48/52/66/1081485266.db2.gz KRYXMKXNEQJSDT-UHFFFAOYSA-N -1 3 353.275 4.212 20 0 FIADHM CCc1ccccc1-n1cc(C(=O)[N-]c2cc(Cl)ccc2SC)nn1 ZINC001125406295 1081497498 /nfs/dbraw/zinc/49/74/98/1081497498.db2.gz JUZSQBCPEWKLHI-UHFFFAOYSA-N -1 3 372.881 4.457 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(Cn4ccnc4C(C)C)nc(=O)c23)s1 ZINC000123666508 1081515139 /nfs/dbraw/zinc/51/51/39/1081515139.db2.gz DWCBRNXIAQUIIG-UHFFFAOYSA-N -1 3 370.503 4.390 20 0 FIADHM CCc1ccsc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000164805865 1081718340 /nfs/dbraw/zinc/71/83/40/1081718340.db2.gz ZGGGWUXJTHVOQI-VIFPVBQESA-N -1 3 362.476 4.143 20 0 FIADHM [O-]c1cc(Br)c(Br)cc1Nc1nccs1 ZINC001210996919 1081902770 /nfs/dbraw/zinc/90/27/70/1081902770.db2.gz KDSUHEXPOULCQI-UHFFFAOYSA-N -1 3 350.035 4.117 20 0 FIADHM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1 ZINC000683936538 1081946688 /nfs/dbraw/zinc/94/66/88/1081946688.db2.gz YTPQFIFZCHOPQM-UHFFFAOYSA-N -1 3 364.829 4.445 20 0 FIADHM CC(C)c1ccc(CC2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000580456609 1081954054 /nfs/dbraw/zinc/95/40/54/1081954054.db2.gz JSBZOBTUMPGGKY-UHFFFAOYSA-N -1 3 352.478 4.358 20 0 FIADHM O=C(NCc1ccccc1)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000580864845 1082193959 /nfs/dbraw/zinc/19/39/59/1082193959.db2.gz BPZBPZGGMILWEG-UHFFFAOYSA-N -1 3 368.383 4.213 20 0 FIADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001625868134 1082201365 /nfs/dbraw/zinc/20/13/65/1082201365.db2.gz FODSIMZZWBETKC-PIGZYNQJSA-N -1 3 353.488 4.189 20 0 FIADHM COc1cc(C(=O)[N-]c2cc(F)cc(F)c2F)sc1Br ZINC000558241214 1082388758 /nfs/dbraw/zinc/38/87/58/1082388758.db2.gz WJZHXQBQTRQKMI-UHFFFAOYSA-N -1 3 366.158 4.189 20 0 FIADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000581261969 1082413178 /nfs/dbraw/zinc/41/31/78/1082413178.db2.gz LHTRDBNXOYZRNN-SFHVURJKSA-N -1 3 351.450 4.126 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COC[C@@H]4CCCO4)nc(=O)c23)c(C)c1 ZINC000656491344 1082478330 /nfs/dbraw/zinc/47/83/30/1082478330.db2.gz MCBRZCBIOREKKK-AWEZNQCLSA-N -1 3 370.474 4.376 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COC[C@@H]4CCCO4)nc(=O)c23)cc1 ZINC000656491047 1082479394 /nfs/dbraw/zinc/47/93/94/1082479394.db2.gz PNDHBOUODARAJA-AWEZNQCLSA-N -1 3 356.447 4.068 20 0 FIADHM Cc1sc2[n-]c(COC[C@H]3CCCO3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000656492204 1082480443 /nfs/dbraw/zinc/48/04/43/1082480443.db2.gz YYPIGCDBOMGSKJ-OAHLLOKOSA-N -1 3 370.474 4.376 20 0 FIADHM CCc1cccc2cc(CN[C@@H](CC(=O)[O-])c3cccc(OC)c3)oc21 ZINC000656565779 1082582518 /nfs/dbraw/zinc/58/25/18/1082582518.db2.gz UGEKQCIHDQENMS-IBGZPJMESA-N -1 3 353.418 4.309 20 0 FIADHM CCc1cccc2cc(CN[C@H](CC(=O)[O-])c3cccc(OC)c3)oc21 ZINC000656565780 1082582744 /nfs/dbraw/zinc/58/27/44/1082582744.db2.gz UGEKQCIHDQENMS-LJQANCHMSA-N -1 3 353.418 4.309 20 0 FIADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(C(F)F)c1Cl)C1CCCC1 ZINC000656629927 1082645783 /nfs/dbraw/zinc/64/57/83/1082645783.db2.gz ZCQCBKTVHDVFHB-CYBMUJFWSA-N -1 3 367.845 4.225 20 0 FIADHM O=C(OCc1csc(-c2ccccn2)n1)c1cc(Cl)c(Cl)[n-]1 ZINC000097027991 1082680340 /nfs/dbraw/zinc/68/03/40/1082680340.db2.gz NLJJLUHMQNGGJC-UHFFFAOYSA-N -1 3 354.218 4.197 20 0 FIADHM Cc1cnc(C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)s1 ZINC000684331082 1082703761 /nfs/dbraw/zinc/70/37/61/1082703761.db2.gz OKCHYNSLNYNMBY-UHFFFAOYSA-N -1 3 352.459 4.330 20 0 FIADHM CCc1cc2c(CN3CCc4cccc(F)c4[C@H]3C)cc(=O)oc2cc1[O-] ZINC001167473911 1082710571 /nfs/dbraw/zinc/71/05/71/1082710571.db2.gz NFMWRAOYFPBDCT-CYBMUJFWSA-N -1 3 367.420 4.319 20 0 FIADHM COc1cccc([C@]2(C)CCN(Cc3ccc(C(=O)[O-])c(Cl)c3)C2)c1 ZINC000656765031 1082758031 /nfs/dbraw/zinc/75/80/31/1082758031.db2.gz HXBUUEPJVYYBPH-HXUWFJFHSA-N -1 3 359.853 4.210 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656768928 1082762050 /nfs/dbraw/zinc/76/20/50/1082762050.db2.gz OLEXHZABEJGDPD-XKQJLSEDSA-N -1 3 372.292 4.400 20 0 FIADHM Cc1oc(C(=O)[O-])cc1CN(C)CCCc1cc(-c2ccccc2)no1 ZINC000581889067 1082976556 /nfs/dbraw/zinc/97/65/56/1082976556.db2.gz FERQXGOURMJZFO-UHFFFAOYSA-N -1 3 354.406 4.006 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000471838778 1083088591 /nfs/dbraw/zinc/08/85/91/1083088591.db2.gz WDPUNPOKAVWQOO-SFHVURJKSA-N -1 3 359.857 4.171 20 0 FIADHM C[C@@H]1CN(c2cc(F)cc(NCc3c(F)ccc([O-])c3F)c2)C[C@H](C)O1 ZINC000581948204 1083092369 /nfs/dbraw/zinc/09/23/69/1083092369.db2.gz BZYQDEXKOCDZER-TXEJJXNPSA-N -1 3 366.383 4.035 20 0 FIADHM CC(C)c1nc(C(=O)Nc2c([O-])cccc2Cl)nn1-c1ccccc1F ZINC000581972373 1083119892 /nfs/dbraw/zinc/11/98/92/1083119892.db2.gz KDEARVJMCMCYQA-UHFFFAOYSA-N -1 3 374.803 4.141 20 0 FIADHM COc1cc2nc(-c3cc(Cl)cc(Cl)c3)[n-]c(=O)c2cc1OC ZINC000431178394 1083382842 /nfs/dbraw/zinc/38/28/42/1083382842.db2.gz KHXMIJGXQPMILN-UHFFFAOYSA-N -1 3 351.189 4.326 20 0 FIADHM CC(C)(C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC000548864925 1083387897 /nfs/dbraw/zinc/38/78/97/1083387897.db2.gz HHUJWDHMVGHUBU-UHFFFAOYSA-N -1 3 365.804 4.360 20 0 FIADHM Cc1nnc([N-]C(=O)c2ccc(-c3nc4ccccc4s3)s2)s1 ZINC000023625590 1083551330 /nfs/dbraw/zinc/55/13/30/1083551330.db2.gz BHXARFVGZYQMHQ-UHFFFAOYSA-N -1 3 358.473 4.437 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c1 ZINC000612309490 1083709124 /nfs/dbraw/zinc/70/91/24/1083709124.db2.gz IZLCKXQMXPGJSP-AWEZNQCLSA-N -1 3 373.474 4.365 20 0 FIADHM O=C(CCSc1ccccc1Br)Nc1cccc([O-])c1F ZINC000128565740 1083779356 /nfs/dbraw/zinc/77/93/56/1083779356.db2.gz HZRJDRITTQRVRY-UHFFFAOYSA-N -1 3 370.243 4.415 20 0 FIADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000548951061 1083966966 /nfs/dbraw/zinc/96/69/66/1083966966.db2.gz LOTZOADZDVMYPF-VQTJNVASSA-N -1 3 373.456 4.050 20 0 FIADHM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299160906 1084168277 /nfs/dbraw/zinc/16/82/77/1084168277.db2.gz QKBIBXXSGPCVQD-GFCCVEGCSA-N -1 3 372.827 4.024 20 0 FIADHM [O-]c1cc(F)cc(CNc2cnn(-c3ccccc3Br)c2)c1 ZINC000472049051 1084177149 /nfs/dbraw/zinc/17/71/49/1084177149.db2.gz UMEUFTQVLYNCGZ-UHFFFAOYSA-N -1 3 362.202 4.092 20 0 FIADHM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000472051084 1084187180 /nfs/dbraw/zinc/18/71/80/1084187180.db2.gz DKABJWLGBXZOHJ-SFHVURJKSA-N -1 3 364.445 4.054 20 0 FIADHM [O-]c1cc(F)cc(CNc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000472080020 1084263536 /nfs/dbraw/zinc/26/35/36/1084263536.db2.gz KNXFBRPETBJDLA-UHFFFAOYSA-N -1 3 365.330 4.407 20 0 FIADHM O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cc([O-])c2ccccc2c1 ZINC000515099368 1084362261 /nfs/dbraw/zinc/36/22/61/1084362261.db2.gz IYVLTOYFBNRYNO-PPUGGXLSSA-N -1 3 353.368 4.500 20 0 FIADHM O=C([O-])[C@@H]1CCCCCC[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000277387613 1084369422 /nfs/dbraw/zinc/36/94/22/1084369422.db2.gz RFGXWCYWWWZTFB-QZTJIDSGSA-N -1 3 374.506 4.235 20 0 FIADHM COc1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])ccc1OC(F)F ZINC000613228468 1084478276 /nfs/dbraw/zinc/47/82/76/1084478276.db2.gz GHEOFAVEFNBQPH-UHFFFAOYSA-N -1 3 365.376 4.056 20 0 FIADHM COc1ccccc1CC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000431783939 1084527128 /nfs/dbraw/zinc/52/71/28/1084527128.db2.gz VSQZKNXMNVPKAH-UHFFFAOYSA-N -1 3 359.853 4.149 20 0 FIADHM CSc1ccc(OCCN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000582074268 1084568328 /nfs/dbraw/zinc/56/83/28/1084568328.db2.gz MFHACINKJWCXFU-RBUKOAKNSA-N -1 3 357.475 4.078 20 0 FIADHM Cc1cccnc1[C@H](NCc1cc(=O)oc2cc([O-])ccc12)C(C)(C)C ZINC000934288663 1084623046 /nfs/dbraw/zinc/62/30/46/1084623046.db2.gz BTAKYMPOAZIIOO-FQEVSTJZSA-N -1 3 352.434 4.079 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1csc2ccc(Cl)cc21)c1nccs1 ZINC000431822603 1084689946 /nfs/dbraw/zinc/68/99/46/1084689946.db2.gz IWTRTYLVJCOHOA-NSHDSACASA-N -1 3 372.924 4.441 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1ccc(Br)c(Cl)c1F ZINC000582160789 1084731848 /nfs/dbraw/zinc/73/18/48/1084731848.db2.gz IXKXTIZXKNYDOO-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM CCc1c([N-]C(=O)c2cc(-c3cccs3)on2)onc1C(F)(F)F ZINC000431386790 1084898884 /nfs/dbraw/zinc/89/88/84/1084898884.db2.gz PMTXNRTZRSQZJS-UHFFFAOYSA-N -1 3 357.313 4.225 20 0 FIADHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc([O-])ccc1Cl ZINC000277601313 1085006669 /nfs/dbraw/zinc/00/66/69/1085006669.db2.gz GYUIVCOZABKXGU-CYBMUJFWSA-N -1 3 364.804 4.028 20 0 FIADHM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc([O-])ccc1Cl ZINC000277601317 1085006855 /nfs/dbraw/zinc/00/68/55/1085006855.db2.gz GYUIVCOZABKXGU-ZDUSSCGKSA-N -1 3 364.804 4.028 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1F ZINC000511138338 1085066710 /nfs/dbraw/zinc/06/67/10/1085066710.db2.gz YAPMTNKCRMCYCX-UHFFFAOYSA-N -1 3 367.442 4.060 20 0 FIADHM Cc1cc(OCC(=O)Nc2ccc(Br)cc2[O-])ccc1Cl ZINC000642323259 1085200266 /nfs/dbraw/zinc/20/02/66/1085200266.db2.gz AAEASAOLOISCLB-UHFFFAOYSA-N -1 3 370.630 4.134 20 0 FIADHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC001211553204 1085323445 /nfs/dbraw/zinc/32/34/45/1085323445.db2.gz RJQBHPRQCNVUCN-UHFFFAOYSA-N -1 3 368.724 4.063 20 0 FIADHM COc1ccc(-c2nnn[n-]2)cc1NC1c2ccccc2-c2ccccc21 ZINC001167777259 1085521625 /nfs/dbraw/zinc/52/16/25/1085521625.db2.gz YOQZOBRADCYTJB-UHFFFAOYSA-N -1 3 355.401 4.057 20 0 FIADHM COc1ccc(-c2nn[n-]n2)cc1NC1c2ccccc2-c2ccccc21 ZINC001167777259 1085521629 /nfs/dbraw/zinc/52/16/29/1085521629.db2.gz YOQZOBRADCYTJB-UHFFFAOYSA-N -1 3 355.401 4.057 20 0 FIADHM O=C(Nc1cc(C(=O)Nc2ncccc2[O-])ccc1Cl)c1cccs1 ZINC000045574526 1085562864 /nfs/dbraw/zinc/56/28/64/1085562864.db2.gz JELVJMHSQSQQPH-UHFFFAOYSA-N -1 3 373.821 4.007 20 0 FIADHM C[C@H](NCc1nc(=O)c2sccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000643192870 1085741515 /nfs/dbraw/zinc/74/15/15/1085741515.db2.gz VOYZLDFVZXQTOA-VIFPVBQESA-N -1 3 353.369 4.267 20 0 FIADHM CC(C)(C)C1=CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000536224404 1085802120 /nfs/dbraw/zinc/80/21/20/1085802120.db2.gz GEVRLYNGVOODCJ-UHFFFAOYSA-N -1 3 367.287 4.043 20 0 FIADHM CCCCO[C@@H]1C[C@@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1(C)C ZINC000652439447 1086057073 /nfs/dbraw/zinc/05/70/73/1086057073.db2.gz LZAUJZACMKVNTL-IAGOWNOFSA-N -1 3 353.890 4.454 20 0 FIADHM O=C([O-])CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)CC1CC1 ZINC000652467363 1086085992 /nfs/dbraw/zinc/08/59/92/1086085992.db2.gz VDLRJCNCOPLWHT-UHFFFAOYSA-N -1 3 368.355 4.047 20 0 FIADHM O=C([O-])[C@H]1CN(CCOc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC000652470228 1086092243 /nfs/dbraw/zinc/09/22/43/1086092243.db2.gz RAJBVPCSSRZZEL-KRWDZBQOSA-N -1 3 366.244 4.056 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(SC2CCCC2)cc1 ZINC000278057525 1086124116 /nfs/dbraw/zinc/12/41/16/1086124116.db2.gz IRHXNJHVNBFQMB-CYBMUJFWSA-N -1 3 358.385 4.099 20 0 FIADHM CCc1cccc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)c1[O-] ZINC000583080831 1086162387 /nfs/dbraw/zinc/16/23/87/1086162387.db2.gz WDDJKKFPKURNIA-UHFFFAOYSA-N -1 3 370.518 4.310 20 0 FIADHM Cc1ccc(C2=CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cc1 ZINC000053813440 1086222974 /nfs/dbraw/zinc/22/29/74/1086222974.db2.gz JIBGYXMLMZAJJH-UHFFFAOYSA-N -1 3 371.440 4.267 20 0 FIADHM CC(C)c1nnc([C@H]2CCCCN2C(=O)c2cc([O-])c3ccccc3c2)[nH]1 ZINC000330251627 1086227015 /nfs/dbraw/zinc/22/70/15/1086227015.db2.gz HULBWSSVWBPIFQ-QGZVFWFLSA-N -1 3 364.449 4.154 20 0 FIADHM O=C([O-])CC[C@@H](CNCc1ccccc1OC1CCCC1)C(F)(F)F ZINC000663262171 1086341227 /nfs/dbraw/zinc/34/12/27/1086341227.db2.gz QKZXCVQHOSRFTR-AWEZNQCLSA-N -1 3 359.388 4.141 20 0 FIADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000125096412 1086475168 /nfs/dbraw/zinc/47/51/68/1086475168.db2.gz KFDPNCYZYUXPNL-LBPRGKRZSA-N -1 3 365.474 4.322 20 0 FIADHM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000557198522 1086523832 /nfs/dbraw/zinc/52/38/32/1086523832.db2.gz OZOOGYYBEZFBCL-LBPRGKRZSA-N -1 3 357.759 4.197 20 0 FIADHM COc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000511983995 1086559935 /nfs/dbraw/zinc/55/99/35/1086559935.db2.gz RLFSQZDQHQWEFM-UHFFFAOYSA-N -1 3 365.360 4.023 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c(C)c1C ZINC000467746669 1086584144 /nfs/dbraw/zinc/58/41/44/1086584144.db2.gz PIJWNAMCGFELED-UHFFFAOYSA-N -1 3 373.396 4.440 20 0 FIADHM C[C@H]1CC[C@@]2(CCN(Cc3ccc(C(=O)[O-])cc3Br)C2)C1 ZINC000583386956 1086635796 /nfs/dbraw/zinc/63/57/96/1086635796.db2.gz SWAZEMYQTNYNKT-YVEFUNNKSA-N -1 3 352.272 4.159 20 0 FIADHM CCOC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccccc2)c(F)cc1C ZINC000585751312 1086683383 /nfs/dbraw/zinc/68/33/83/1086683383.db2.gz XJTSMZJHURGQME-UHFFFAOYSA-N -1 3 368.364 4.218 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1C ZINC000427625721 1086686360 /nfs/dbraw/zinc/68/63/60/1086686360.db2.gz HCUHOVFBEPBNHM-UHFFFAOYSA-N -1 3 368.458 4.175 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(-c4c(C)noc4C)cc3)n[n-]2)o1 ZINC000759960759 1086700360 /nfs/dbraw/zinc/70/03/60/1086700360.db2.gz RUUMASYJWDFZCL-UHFFFAOYSA-N -1 3 363.373 4.469 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(-c4c(C)noc4C)cc3)[n-]n2)o1 ZINC000759960759 1086700370 /nfs/dbraw/zinc/70/03/70/1086700370.db2.gz RUUMASYJWDFZCL-UHFFFAOYSA-N -1 3 363.373 4.469 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000583508847 1086751569 /nfs/dbraw/zinc/75/15/69/1086751569.db2.gz WDNSDPPFTNFXFD-SFHVURJKSA-N -1 3 365.477 4.077 20 0 FIADHM CCCCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H](CC)c1ccccc1 ZINC000512108588 1086775608 /nfs/dbraw/zinc/77/56/08/1086775608.db2.gz WUWIJPMMSQUAGI-SFHVURJKSA-N -1 3 366.465 4.068 20 0 FIADHM Cc1ccc(NC(=S)N[N-]C(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000006574487 1086846388 /nfs/dbraw/zinc/84/63/88/1086846388.db2.gz ZQWYTVMRICJQCW-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM CCSCc1cc(C(=O)[N-]c2c(F)cccc2Br)no1 ZINC000472303992 1086970876 /nfs/dbraw/zinc/97/08/76/1086970876.db2.gz ZJMRDEBDYQBWPF-UHFFFAOYSA-N -1 3 359.220 4.082 20 0 FIADHM O=C(CCc1ccc(Cl)cc1)NCc1ccc([O-])c(Br)c1 ZINC000151602878 1087172199 /nfs/dbraw/zinc/17/21/99/1087172199.db2.gz RCMRINLPRGXDDI-UHFFFAOYSA-N -1 3 368.658 4.057 20 0 FIADHM Cn1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000089340498 1087384765 /nfs/dbraw/zinc/38/47/65/1087384765.db2.gz BKXNLFFYTHGXBE-UHFFFAOYSA-N -1 3 361.323 4.064 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2OCc2cscn2)c1 ZINC000094080503 1087462973 /nfs/dbraw/zinc/46/29/73/1087462973.db2.gz UPCJERRETWIQLS-UHFFFAOYSA-N -1 3 354.431 4.242 20 0 FIADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000094097656 1087463448 /nfs/dbraw/zinc/46/34/48/1087463448.db2.gz NSVOUHQBMPMFLS-GOSISDBHSA-N -1 3 365.408 4.289 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1csc2ccccc21 ZINC000431620697 1087676694 /nfs/dbraw/zinc/67/66/94/1087676694.db2.gz AXXSPMIOHGNCJZ-HNNXBMFYSA-N -1 3 353.415 4.186 20 0 FIADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1coc(Br)c1 ZINC000504580693 1087736092 /nfs/dbraw/zinc/73/60/92/1087736092.db2.gz WBEYDHLAOHIOHR-UHFFFAOYSA-N -1 3 370.272 4.269 20 0 FIADHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000504716439 1087813761 /nfs/dbraw/zinc/81/37/61/1087813761.db2.gz PRRKBFSNOWUZJZ-UHFFFAOYSA-N -1 3 350.440 4.097 20 0 FIADHM Cc1ncc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000177398166 1088303788 /nfs/dbraw/zinc/30/37/88/1088303788.db2.gz JLSYPVONTOENPH-UHFFFAOYSA-N -1 3 354.431 4.222 20 0 FIADHM Clc1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc2)cc1Cl ZINC000613577272 1088611219 /nfs/dbraw/zinc/61/12/19/1088611219.db2.gz YPXHZEVQPSTGLA-INIZCTEOSA-N -1 3 370.243 4.235 20 0 FIADHM CC(=O)c1ccc(F)c(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211646860 1088739031 /nfs/dbraw/zinc/73/90/31/1088739031.db2.gz BBYGTKVAUHCPRU-UHFFFAOYSA-N -1 3 358.756 4.157 20 0 FIADHM COc1cc(-c2noc(C=C([O-])c3ccccc3Cl)n2)ccc1Cl ZINC001211646925 1088746972 /nfs/dbraw/zinc/74/69/72/1088746972.db2.gz CTFJJBRLSLUZGK-UHFFFAOYSA-N -1 3 363.200 4.477 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(-c3cnco3)cc2)no1)c1ccccc1Cl ZINC001211647349 1088764774 /nfs/dbraw/zinc/76/47/74/1088764774.db2.gz LEPJZFXSTHOZBY-UHFFFAOYSA-N -1 3 365.776 4.470 20 0 FIADHM O=C1CCCc2cc(-c3noc(C=C([O-])c4ccccc4Cl)n3)ccc21 ZINC001211647541 1088779476 /nfs/dbraw/zinc/77/94/76/1088779476.db2.gz UUXUQDJYGAIIAJ-UHFFFAOYSA-N -1 3 366.804 4.334 20 0 FIADHM O=C([O-])c1ccc(Cl)c(CN2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000659800810 1088883774 /nfs/dbraw/zinc/88/37/74/1088883774.db2.gz BMUMXVPPRXUNRR-UHFFFAOYSA-N -1 3 371.864 4.398 20 0 FIADHM COCCCn1c(=O)[n-]nc1SCc1ccc(-c2cccs2)cc1 ZINC000434643512 1088902542 /nfs/dbraw/zinc/90/25/42/1088902542.db2.gz QQFGDCJFVNZIDY-UHFFFAOYSA-N -1 3 361.492 4.041 20 0 FIADHM CC(=O)c1ccc(C(=O)N(CC(C)C)[C@@H]2CCCc3cccnc32)cc1[O-] ZINC000613627134 1088980975 /nfs/dbraw/zinc/98/09/75/1088980975.db2.gz QNRASSSKJWRCEH-LJQANCHMSA-N -1 3 366.461 4.166 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(OCc3ccccc3)c2)o1 ZINC000434761099 1089027710 /nfs/dbraw/zinc/02/77/10/1089027710.db2.gz VOANBSHDTXVLOM-INIZCTEOSA-N -1 3 371.458 4.207 20 0 FIADHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1cncc(F)c1 ZINC000151971359 1089051402 /nfs/dbraw/zinc/05/14/02/1089051402.db2.gz ZSPZUMISMLLOBJ-UHFFFAOYSA-N -1 3 350.305 4.043 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000549186195 1089171401 /nfs/dbraw/zinc/17/14/01/1089171401.db2.gz IQTNKNJJPFYYJG-YVEFUNNKSA-N -1 3 369.362 4.141 20 0 FIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000031810280 1089516229 /nfs/dbraw/zinc/51/62/29/1089516229.db2.gz KNEYAVHVTXYKIY-UHFFFAOYSA-N -1 3 364.449 4.101 20 0 FIADHM [O-]c1ccc2ccncc2c1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066793915 1089534423 /nfs/dbraw/zinc/53/44/23/1089534423.db2.gz UDZXLSCQJNKWBN-FQEVSTJZSA-N -1 3 372.827 4.306 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(OC)c(OCC)c(OC)c2)CC)n1 ZINC000435341554 1089548367 /nfs/dbraw/zinc/54/83/67/1089548367.db2.gz YTKUIYNVIFMZFY-GDNBJRDFSA-N -1 3 372.465 4.089 20 0 FIADHM Cc1nc(C)c(CCC(=O)N(C(C)C)[C@@H](c2ccccc2)C(C)C)c(=O)[n-]1 ZINC000893072420 1089797227 /nfs/dbraw/zinc/79/72/27/1089797227.db2.gz KSZQNDACXLLZOJ-OAQYLSRUSA-N -1 3 369.509 4.366 20 0 FIADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[S@@](=O)c1ccc([O-])cc1 ZINC000435721396 1089908870 /nfs/dbraw/zinc/90/88/70/1089908870.db2.gz CFTMYBLEAXOQEP-RUZDIDTESA-N -1 3 374.893 4.215 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1C ZINC000435734796 1089915280 /nfs/dbraw/zinc/91/52/80/1089915280.db2.gz YTXDHRCEYQYVKS-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Br)s1)c1ccc(Cl)cc1 ZINC000756333358 1089916400 /nfs/dbraw/zinc/91/64/00/1089916400.db2.gz QNQONANYEACYGJ-GFCCVEGCSA-N -1 3 360.660 4.080 20 0 FIADHM COc1cccc(SC)c1[N-]C(=O)c1sc([C@H]2CCCO2)nc1C ZINC000416125102 1090206274 /nfs/dbraw/zinc/20/62/74/1090206274.db2.gz VKZXYFSUNRIYJN-GFCCVEGCSA-N -1 3 364.492 4.286 20 0 FIADHM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000180971246 1090247871 /nfs/dbraw/zinc/24/78/71/1090247871.db2.gz KJGUOXZFHBBKFX-NTCAYCPXSA-N -1 3 359.429 4.096 20 0 FIADHM O=C(Nc1ccc([O-])cc1F)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000183272168 1090401347 /nfs/dbraw/zinc/40/13/47/1090401347.db2.gz VSFVMJMZWBYHOH-UHFFFAOYSA-N -1 3 353.324 4.154 20 0 FIADHM CCCc1nnc([N-]C(=O)c2oc3ccccc3c2COC(C)C)s1 ZINC000018840409 1090445303 /nfs/dbraw/zinc/44/53/03/1090445303.db2.gz NAQNDVZCDYBIGJ-UHFFFAOYSA-N -1 3 359.451 4.414 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1C[C@@]12CCOC2 ZINC000364084695 1090826918 /nfs/dbraw/zinc/82/69/18/1090826918.db2.gz BFTRQTANAXJYLA-JLTOFOAXSA-N -1 3 366.442 4.034 20 0 FIADHM COc1cc(F)cc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000417595917 1090935033 /nfs/dbraw/zinc/93/50/33/1090935033.db2.gz YNXFSZSBPZGOLV-MRXNPFEDSA-N -1 3 371.330 4.159 20 0 FIADHM O=C([O-])[C@@H](CC(F)F)NCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000417596666 1090935938 /nfs/dbraw/zinc/93/59/38/1090935938.db2.gz QKOUXUDXKJNBHK-LLVKDONJSA-N -1 3 364.175 4.451 20 0 FIADHM O=C([O-])[C@H]1C[C@H](NCc2cc(F)cc(C(F)(F)F)c2)c2ccccc21 ZINC000417619454 1090940887 /nfs/dbraw/zinc/94/08/87/1090940887.db2.gz KOZSEHZZKZFMPM-HOTGVXAUSA-N -1 3 353.315 4.247 20 0 FIADHM Cc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)sc1Br ZINC000417622350 1090942182 /nfs/dbraw/zinc/94/21/82/1090942182.db2.gz IIIIBRRHOKVQSL-ZIAGYGMSSA-N -1 3 366.280 4.222 20 0 FIADHM O=C([O-])C[C@@H](CNCc1ccc(-c2ccccc2Cl)o1)C(F)(F)F ZINC000417631844 1090945422 /nfs/dbraw/zinc/94/54/22/1090945422.db2.gz SDWBPVJLVVIGEX-JTQLQIEISA-N -1 3 361.747 4.343 20 0 FIADHM CC(C)=CCSC[C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417625779 1090947741 /nfs/dbraw/zinc/94/77/41/1090947741.db2.gz MTFPEOZFZUOEGX-LBPRGKRZSA-N -1 3 366.285 4.375 20 0 FIADHM Cc1ccc(C[C@H](NCc2csc(Cl)c2Cl)C(=O)[O-])cc1C ZINC000417654588 1090955302 /nfs/dbraw/zinc/95/53/02/1090955302.db2.gz RUSVZADGBRUPEF-ZDUSSCGKSA-N -1 3 358.290 4.457 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2csc(CCc3ccccc3)n2)s1 ZINC000500134146 1091060389 /nfs/dbraw/zinc/06/03/89/1091060389.db2.gz RLBQHMHUBXIGGX-UHFFFAOYSA-N -1 3 358.492 4.156 20 0 FIADHM Cc1cc(F)c2c(c1)CCCN2Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC001167755360 1091205571 /nfs/dbraw/zinc/20/55/71/1091205571.db2.gz NRZWWOHYWYGLNV-UHFFFAOYSA-N -1 3 353.393 4.207 20 0 FIADHM [O-]c1ccc(F)c(CNCCc2nc3cc(Cl)ccc3s2)c1F ZINC000511663494 1091500298 /nfs/dbraw/zinc/50/02/98/1091500298.db2.gz CXDJCUPKLUVMGX-UHFFFAOYSA-N -1 3 354.809 4.266 20 0 FIADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(Cc2ccc(C)cc2)s1 ZINC000511811486 1091729228 /nfs/dbraw/zinc/72/92/28/1091729228.db2.gz RMHKRLVWFXNKIQ-UHFFFAOYSA-N -1 3 356.451 4.109 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3cc(Br)ccc3C)no2)c1 ZINC000319966181 1091818726 /nfs/dbraw/zinc/81/87/26/1091818726.db2.gz OFTYADAENHFWRW-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM CC1(C)Cc2cc(C=C(Cc3ccccc3)c3nccc(=O)[n-]3)ccc2O1 ZINC000432711519 1092170603 /nfs/dbraw/zinc/17/06/03/1092170603.db2.gz UOZDZQVYCFMEGJ-QGOAFFKASA-N -1 3 358.441 4.267 20 0 FIADHM CC[C@H](C)OCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093759 1092268659 /nfs/dbraw/zinc/26/86/59/1092268659.db2.gz WRRUJFXXADZHRS-LBPRGKRZSA-N -1 3 356.447 4.423 20 0 FIADHM CC(C)OCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093095316 1092322550 /nfs/dbraw/zinc/32/25/50/1092322550.db2.gz LYGZAULWVGCVEV-UHFFFAOYSA-N -1 3 356.447 4.423 20 0 FIADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1ccc(F)cc1F ZINC000536230914 1092388458 /nfs/dbraw/zinc/38/84/58/1092388458.db2.gz FQEURZZYBOIZDZ-UHFFFAOYSA-N -1 3 363.751 4.070 20 0 FIADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442232481 1092503021 /nfs/dbraw/zinc/50/30/21/1092503021.db2.gz CHPJXQGBQOYGFT-UHFFFAOYSA-N -1 3 361.797 4.206 20 0 FIADHM CC1(C)[C@H](NC(=O)c2cc([O-])ccc2Cl)C[C@@H]1OCc1ccccc1 ZINC000500758365 1092517751 /nfs/dbraw/zinc/51/77/51/1092517751.db2.gz KOHQZPHSNMWNMY-MSOLQXFVSA-N -1 3 359.853 4.159 20 0 FIADHM COCc1nc(C(=O)Nc2cc(F)ccc2[O-])c(-c2ccccc2)s1 ZINC000442563378 1092680345 /nfs/dbraw/zinc/68/03/45/1092680345.db2.gz APILCIWBLONXGD-UHFFFAOYSA-N -1 3 358.394 4.054 20 0 FIADHM C[C@H](SCCC1(O)CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000443145906 1092967265 /nfs/dbraw/zinc/96/72/65/1092967265.db2.gz ODTFKBNDWGUTSV-JTQLQIEISA-N -1 3 362.476 4.366 20 0 FIADHM CCn1c2ccccc2c2cc([N-]S(=O)(=O)C[C@@H]3CCCCO3)ccc21 ZINC000521919208 1092971869 /nfs/dbraw/zinc/97/18/69/1092971869.db2.gz QWWFXXZHUDKBTR-INIZCTEOSA-N -1 3 372.490 4.125 20 0 FIADHM CCOc1cc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)cc(Cl)c1[O-] ZINC000443220836 1092996130 /nfs/dbraw/zinc/99/61/30/1092996130.db2.gz KGKLKHIPWPXPIR-UHFFFAOYSA-N -1 3 370.796 4.346 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000575755756 1093000867 /nfs/dbraw/zinc/00/08/67/1093000867.db2.gz YANZJMPIPRPPKK-INIZCTEOSA-N -1 3 365.477 4.126 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)[n-]1 ZINC000433107808 1093254850 /nfs/dbraw/zinc/25/48/50/1093254850.db2.gz DJYFDWZDBDKJGO-RHSMWYFYSA-N -1 3 370.449 4.149 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1 ZINC000433140831 1093326000 /nfs/dbraw/zinc/32/60/00/1093326000.db2.gz KFMLEPXCXVGWCW-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)c1 ZINC000433149127 1093334372 /nfs/dbraw/zinc/33/43/72/1093334372.db2.gz SKPRQAHGQQBCHZ-UHFFFAOYSA-N -1 3 364.829 4.445 20 0 FIADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433150925 1093337217 /nfs/dbraw/zinc/33/72/17/1093337217.db2.gz MTKIKOGPQHELBV-UHFFFAOYSA-N -1 3 364.829 4.445 20 0 FIADHM O=C(c1cc(Nc2c(F)cc([O-])cc2F)ccc1F)N1CCCCC1 ZINC001211882105 1093534626 /nfs/dbraw/zinc/53/46/26/1093534626.db2.gz VSAHBEUWLUYPJB-UHFFFAOYSA-N -1 3 350.340 4.179 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000433314933 1093570831 /nfs/dbraw/zinc/57/08/31/1093570831.db2.gz AIUAPHUZQXZZOI-LJQANCHMSA-N -1 3 352.821 4.093 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000452747798 1093644139 /nfs/dbraw/zinc/64/41/39/1093644139.db2.gz ITIXZRXSSXXPQE-BDAKNGLRSA-N -1 3 366.177 4.380 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](CC)Cc3ccccc3)nc2)n1 ZINC000433391813 1093659753 /nfs/dbraw/zinc/65/97/53/1093659753.db2.gz XKJLEXMODQIFSO-IBGZPJMESA-N -1 3 362.477 4.264 20 0 FIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(-c2c(F)cccc2F)c1 ZINC000536066235 1093669281 /nfs/dbraw/zinc/66/92/81/1093669281.db2.gz AGKYCZUEVGMWQV-UHFFFAOYSA-N -1 3 368.265 4.021 20 0 FIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(-c2c(F)cccc2F)c1 ZINC000536066235 1093669284 /nfs/dbraw/zinc/66/92/84/1093669284.db2.gz AGKYCZUEVGMWQV-UHFFFAOYSA-N -1 3 368.265 4.021 20 0 FIADHM CCc1ccc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c([O-])c1 ZINC000191672235 1093717606 /nfs/dbraw/zinc/71/76/06/1093717606.db2.gz WLIBSMJTDUSMGR-RUZDIDTESA-N -1 3 359.491 4.254 20 0 FIADHM O=c1nc(CSCC[C@H]2CCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000419353500 1093726141 /nfs/dbraw/zinc/72/61/41/1093726141.db2.gz JSIGCTBKZLZKKL-LLVKDONJSA-N -1 3 362.476 4.317 20 0 FIADHM COc1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)ccc1OC(F)F ZINC000419354114 1093736563 /nfs/dbraw/zinc/73/65/63/1093736563.db2.gz KSYFKVOFSUEXPN-UHFFFAOYSA-N -1 3 368.405 4.103 20 0 FIADHM CC(C)C[C@@H]1CCCCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000895873720 1093747246 /nfs/dbraw/zinc/74/72/46/1093747246.db2.gz VRXORPHTHHDFNU-ZDUSSCGKSA-N -1 3 362.420 4.237 20 0 FIADHM CCOc1cc(CNc2cccc([C@@H]3CCCC(=O)N3)c2)cc(Cl)c1[O-] ZINC000895895104 1093760224 /nfs/dbraw/zinc/76/02/24/1093760224.db2.gz SMLLVKIJGROKIT-KRWDZBQOSA-N -1 3 374.868 4.398 20 0 FIADHM C[C@H]1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@H](c2ccco2)C1 ZINC000895889734 1093762777 /nfs/dbraw/zinc/76/27/77/1093762777.db2.gz SFABHSGZFJQOEN-GTNSWQLSSA-N -1 3 372.371 4.013 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2F)no1)c1cc(-c2cccs2)on1 ZINC000729270151 1093954468 /nfs/dbraw/zinc/95/44/68/1093954468.db2.gz JSOIRODUQBSEJD-UHFFFAOYSA-N -1 3 355.350 4.450 20 0 FIADHM CCOc1cc(CNc2cccc(N3CCCC3=O)c2)cc(Cl)c1[O-] ZINC000513589433 1094223457 /nfs/dbraw/zinc/22/34/57/1094223457.db2.gz WVLFQTBRTWQLCY-UHFFFAOYSA-N -1 3 360.841 4.183 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2scnc2C2CCCC2)c1F ZINC000280186031 1094304631 /nfs/dbraw/zinc/30/46/31/1094304631.db2.gz LWOPKDRUMZSTCN-UHFFFAOYSA-N -1 3 366.389 4.118 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC(C)(C)C(F)(F)F)c2)n1 ZINC000280223117 1094312580 /nfs/dbraw/zinc/31/25/80/1094312580.db2.gz ALTFOMKKVVDCFK-UHFFFAOYSA-N -1 3 367.371 4.329 20 0 FIADHM COc1cc(CNCc2c(F)ccc([O-])c2F)ccc1OC1CCCC1 ZINC000509939484 1094376414 /nfs/dbraw/zinc/37/64/14/1094376414.db2.gz NASRDGLOHFOJCV-UHFFFAOYSA-N -1 3 363.404 4.290 20 0 FIADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000501135013 1094524091 /nfs/dbraw/zinc/52/40/91/1094524091.db2.gz NOFGRVYDCSWNMG-LSDHHAIUSA-N -1 3 360.458 4.159 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c(C)c1 ZINC000501789501 1094925603 /nfs/dbraw/zinc/92/56/03/1094925603.db2.gz CGSQHKDTFRNEBX-UHFFFAOYSA-N -1 3 363.479 4.120 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCC(F)(F)C3)c2)n1 ZINC000281801655 1095707402 /nfs/dbraw/zinc/70/74/02/1095707402.db2.gz FOBUAAKOPALLSS-CYBMUJFWSA-N -1 3 361.392 4.176 20 0 FIADHM O=c1[n-]c(CN[C@@H](c2ccccc2)C(F)(F)F)nc2c3ccccc3oc21 ZINC000533021365 1098696604 /nfs/dbraw/zinc/69/66/04/1098696604.db2.gz OIHQTGMVSDUKJJ-KRWDZBQOSA-N -1 3 373.334 4.475 20 0 FIADHM CCOc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1OC ZINC000515631026 1098778746 /nfs/dbraw/zinc/77/87/46/1098778746.db2.gz NGQKSTXGCBEOGL-UHFFFAOYSA-N -1 3 363.479 4.128 20 0 FIADHM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccc(F)cc1C(F)(F)F ZINC000263633370 1098823648 /nfs/dbraw/zinc/82/36/48/1098823648.db2.gz KDNMLKRIPYCHDZ-FPLPWBNLSA-N -1 3 363.307 4.396 20 0 FIADHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(C)c1 ZINC000515754829 1098913596 /nfs/dbraw/zinc/91/35/96/1098913596.db2.gz QPFMFLBKHLJDIP-UHFFFAOYSA-N -1 3 350.292 4.150 20 0 FIADHM COc1ccc(-c2cc3[n-]c(CN(C)CC(C)(C)C)nc(=O)c3s2)cc1 ZINC000533279037 1098926903 /nfs/dbraw/zinc/92/69/03/1098926903.db2.gz VKHBEWIGEONDAN-UHFFFAOYSA-N -1 3 371.506 4.138 20 0 FIADHM CC[C@@H]1CCCN1Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000533423865 1099043533 /nfs/dbraw/zinc/04/35/33/1099043533.db2.gz XFHYKGCHUXVPNU-CQSZACIVSA-N -1 3 369.490 4.035 20 0 FIADHM CCC(CC)[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000436521538 1099078841 /nfs/dbraw/zinc/07/88/41/1099078841.db2.gz FRDQJLDDJIFLRE-IBGZPJMESA-N -1 3 357.450 4.317 20 0 FIADHM O=C(Nc1ccc(-c2nnco2)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436524980 1099080965 /nfs/dbraw/zinc/08/09/65/1099080965.db2.gz CONVYBKKBQOMAD-UHFFFAOYSA-N -1 3 373.368 4.487 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2C)c([O-])c1C ZINC000436532885 1099087551 /nfs/dbraw/zinc/08/75/51/1099087551.db2.gz IJFNSGMUWXJGLV-UHFFFAOYSA-N -1 3 356.491 4.123 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N(Cc1ccncc1)C1CC1 ZINC000436548227 1099094732 /nfs/dbraw/zinc/09/47/32/1099094732.db2.gz PYKHSPBTTDYKJV-UHFFFAOYSA-N -1 3 372.468 4.377 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c([O-])c1C ZINC000436570490 1099120137 /nfs/dbraw/zinc/12/01/37/1099120137.db2.gz QZOQNICMLQGKFG-UHFFFAOYSA-N -1 3 359.332 4.249 20 0 FIADHM CCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1-c1cccc(Cl)c1 ZINC000436597109 1099129017 /nfs/dbraw/zinc/12/90/17/1099129017.db2.gz SYNILZILEMBUGP-UHFFFAOYSA-N -1 3 371.824 4.055 20 0 FIADHM CC1(C)Cc2ccc(C(=O)Nc3c(F)cccc3NC3CC3)c([O-])c2O1 ZINC000436582144 1099132433 /nfs/dbraw/zinc/13/24/33/1099132433.db2.gz DAPHLBFZPCHEJH-UHFFFAOYSA-N -1 3 356.397 4.071 20 0 FIADHM CCc1noc(C)c1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436606851 1099140169 /nfs/dbraw/zinc/14/01/69/1099140169.db2.gz NOOQSLYLLNQNKU-UHFFFAOYSA-N -1 3 350.418 4.289 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c(C)c1 ZINC000614867751 1099143256 /nfs/dbraw/zinc/14/32/56/1099143256.db2.gz PQQCJWPHBIHBGF-UHFFFAOYSA-N -1 3 363.479 4.229 20 0 FIADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436609464 1099144158 /nfs/dbraw/zinc/14/41/58/1099144158.db2.gz LQQSXPZHDLIZCI-LLVKDONJSA-N -1 3 358.829 4.322 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1[O-] ZINC000436612921 1099145094 /nfs/dbraw/zinc/14/50/94/1099145094.db2.gz ZZRKIYSMZODYKT-INIZCTEOSA-N -1 3 357.837 4.096 20 0 FIADHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436632417 1099162495 /nfs/dbraw/zinc/16/24/95/1099162495.db2.gz ZCOKVDRJEOLVEJ-PIGZYNQJSA-N -1 3 365.351 4.340 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1[O-] ZINC000436637247 1099166014 /nfs/dbraw/zinc/16/60/14/1099166014.db2.gz UPEWDEWWCPMIFE-UHFFFAOYSA-N -1 3 359.381 4.078 20 0 FIADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1c([O-])cccc1O ZINC000436650482 1099171552 /nfs/dbraw/zinc/17/15/52/1099171552.db2.gz WFJKPABAIVIUPM-JTQLQIEISA-N -1 3 372.421 4.160 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc1[O-] ZINC000436654957 1099177450 /nfs/dbraw/zinc/17/74/50/1099177450.db2.gz BFVIORIPSJSJTJ-LBPRGKRZSA-N -1 3 371.408 4.014 20 0 FIADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)Cc1ccccc1C(F)(F)F ZINC000436643073 1099183931 /nfs/dbraw/zinc/18/39/31/1099183931.db2.gz VUHRGQNVTRPPLZ-GFCCVEGCSA-N -1 3 367.367 4.210 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c([O-])c1 ZINC000436662582 1099193261 /nfs/dbraw/zinc/19/32/61/1099193261.db2.gz JFWUAJPDAPATQA-HNNXBMFYSA-N -1 3 358.507 4.096 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000436679548 1099213477 /nfs/dbraw/zinc/21/34/77/1099213477.db2.gz KNKAJJCERMGQRD-UHFFFAOYSA-N -1 3 364.228 4.334 20 0 FIADHM Cc1ccc(-c2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)no2)c([O-])c1 ZINC000436689350 1099222877 /nfs/dbraw/zinc/22/28/77/1099222877.db2.gz QRTNLBVXUCRVAN-UHFFFAOYSA-N -1 3 370.771 4.396 20 0 FIADHM O=C(Nc1ccccc1-c1nc[nH]n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436694987 1099228840 /nfs/dbraw/zinc/22/88/40/1099228840.db2.gz CJJHKKPEXQAYTA-UHFFFAOYSA-N -1 3 370.412 4.020 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000436743637 1099263533 /nfs/dbraw/zinc/26/35/33/1099263533.db2.gz YAFCOBVYWQEUAW-CQSZACIVSA-N -1 3 367.470 4.407 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1[O-] ZINC000436729237 1099267412 /nfs/dbraw/zinc/26/74/12/1099267412.db2.gz QTJVODQGNVHMBU-UHFFFAOYSA-N -1 3 350.374 4.149 20 0 FIADHM CC(C)n1nccc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436755218 1099290345 /nfs/dbraw/zinc/29/03/45/1099290345.db2.gz MUWINMYDYZALDC-UHFFFAOYSA-N -1 3 351.406 4.001 20 0 FIADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436780790 1099302612 /nfs/dbraw/zinc/30/26/12/1099302612.db2.gz GPDSXYHHWSGFBW-UHFFFAOYSA-N -1 3 362.429 4.166 20 0 FIADHM CCCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(OC)cc1 ZINC000436787498 1099320060 /nfs/dbraw/zinc/32/00/60/1099320060.db2.gz PKDBUYWNFSYOKM-IBGZPJMESA-N -1 3 370.449 4.021 20 0 FIADHM Cc1ccc2snc(C(=O)Nc3cc(Br)ccc3[O-])c2c1 ZINC000436817328 1099329880 /nfs/dbraw/zinc/32/98/80/1099329880.db2.gz HBCHPLSJKAMCOV-UHFFFAOYSA-N -1 3 363.236 4.325 20 0 FIADHM CCc1ccc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c([O-])c1 ZINC000436808962 1099334377 /nfs/dbraw/zinc/33/43/77/1099334377.db2.gz NJSGBENAAWTLPW-UHFFFAOYSA-N -1 3 353.462 4.255 20 0 FIADHM CCCNC(=O)c1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1Cl ZINC000436809480 1099335652 /nfs/dbraw/zinc/33/56/52/1099335652.db2.gz TWNSNQAHOMXZOR-UHFFFAOYSA-N -1 3 360.841 4.000 20 0 FIADHM CCc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c([O-])c1 ZINC000436830244 1099341286 /nfs/dbraw/zinc/34/12/86/1099341286.db2.gz NSOOWIVBMDSSCC-UHFFFAOYSA-N -1 3 359.853 4.292 20 0 FIADHM CC(C)N1CCc2nc(NC(=O)c3cc4ccccc4cc3[O-])sc2C1 ZINC000436834239 1099344117 /nfs/dbraw/zinc/34/41/17/1099344117.db2.gz LLJBPVDQDRMURW-UHFFFAOYSA-N -1 3 367.474 4.021 20 0 FIADHM CC(C)[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCO1 ZINC000436820732 1099349758 /nfs/dbraw/zinc/34/97/58/1099349758.db2.gz MQWALRMPPQTAAP-QFIPXVFZSA-N -1 3 367.489 4.065 20 0 FIADHM COCc1cnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436849585 1099366852 /nfs/dbraw/zinc/36/68/52/1099366852.db2.gz SZXVZYHIKMHSKN-UHFFFAOYSA-N -1 3 356.403 4.040 20 0 FIADHM CCc1ccc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)c([O-])c1 ZINC000436860533 1099371897 /nfs/dbraw/zinc/37/18/97/1099371897.db2.gz PBXYTVCBMGKQBA-UHFFFAOYSA-N -1 3 360.360 4.391 20 0 FIADHM [O-]c1ccccc1-c1nc(Cc2ccc(OCc3ccncc3)cc2)no1 ZINC000436901713 1099428454 /nfs/dbraw/zinc/42/84/54/1099428454.db2.gz NCNKHKFAVQOUQL-UHFFFAOYSA-N -1 3 359.385 4.007 20 0 FIADHM COCCOc1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000436916779 1099432496 /nfs/dbraw/zinc/43/24/96/1099432496.db2.gz XQBICXMUQQFXQC-UHFFFAOYSA-N -1 3 362.385 4.288 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c1 ZINC000614885385 1099435583 /nfs/dbraw/zinc/43/55/83/1099435583.db2.gz ZHMDSNQEYICHNE-UHFFFAOYSA-N -1 3 357.834 4.377 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000436923552 1099438119 /nfs/dbraw/zinc/43/81/19/1099438119.db2.gz UPGKLQNCSBEMPV-UHFFFAOYSA-N -1 3 366.244 4.424 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000436937358 1099449076 /nfs/dbraw/zinc/44/90/76/1099449076.db2.gz IBXNQGWHGRWZAI-UHFFFAOYSA-N -1 3 354.369 4.448 20 0 FIADHM CC(C)OCCCc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436946148 1099456791 /nfs/dbraw/zinc/45/67/91/1099456791.db2.gz OJOFUKMOPYDCNA-UHFFFAOYSA-N -1 3 352.434 4.391 20 0 FIADHM COc1cc(-c2nc3ccc(Cl)cc3n2C)cc(Br)c1[O-] ZINC000436946452 1099458565 /nfs/dbraw/zinc/45/85/65/1099458565.db2.gz AXORJGQBIZIEPT-UHFFFAOYSA-N -1 3 367.630 4.370 20 0 FIADHM [O-]c1ccccc1-c1nc(Cc2c[nH]c3cccc(Br)c23)no1 ZINC000436948558 1099460945 /nfs/dbraw/zinc/46/09/45/1099460945.db2.gz HPNKUNXUJNFZSI-UHFFFAOYSA-N -1 3 370.206 4.277 20 0 FIADHM CC(C)(C)n1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cn1 ZINC000436979338 1099484870 /nfs/dbraw/zinc/48/48/70/1099484870.db2.gz KPHKYAADGSEZND-UHFFFAOYSA-N -1 3 365.433 4.175 20 0 FIADHM O=c1nc(C=Cc2cc([O-])cc(F)c2)[nH]c2sc(Br)cc21 ZINC000436985071 1099503825 /nfs/dbraw/zinc/50/38/25/1099503825.db2.gz GOFKODODCFDIED-UPHRSURJSA-N -1 3 367.199 4.175 20 0 FIADHM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000437002959 1099508181 /nfs/dbraw/zinc/50/81/81/1099508181.db2.gz QXXHEVKXWVULCG-UHFFFAOYSA-N -1 3 359.853 4.335 20 0 FIADHM CC(C)c1ccc(-c2nc(CN3C[C@H](C(=O)[O-])C[C@H](C)C3)cs2)cc1 ZINC000263364223 1099783885 /nfs/dbraw/zinc/78/38/85/1099783885.db2.gz SSGQYVVLLWGRPZ-WMLDXEAASA-N -1 3 358.507 4.476 20 0 FIADHM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000516981259 1099968188 /nfs/dbraw/zinc/96/81/88/1099968188.db2.gz HOSHUYZAGRZWSV-UHFFFAOYSA-N -1 3 359.369 4.019 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@H](c2cccnc2)C1 ZINC000517035690 1099996491 /nfs/dbraw/zinc/99/64/91/1099996491.db2.gz OVCQZWFXWXJBKZ-BLLLJJGKSA-N -1 3 351.233 4.004 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cc(Cl)ccc1Cl ZINC000428674368 1100006691 /nfs/dbraw/zinc/00/66/91/1100006691.db2.gz IUPWFQJHCBAYIF-JTQLQIEISA-N -1 3 361.228 4.326 20 0 FIADHM [O-]c1cccc(CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1Br ZINC000459398112 1100105807 /nfs/dbraw/zinc/10/58/07/1100105807.db2.gz SUORFRUKWBHJLS-AEFFLSMTSA-N -1 3 362.267 4.165 20 0 FIADHM CSc1cc(C)ccc1CNCc1cccc([O-])c1Br ZINC000459435751 1100173797 /nfs/dbraw/zinc/17/37/97/1100173797.db2.gz IZEXQBARFCVDPB-UHFFFAOYSA-N -1 3 352.297 4.475 20 0 FIADHM CC(C)(C)Oc1cccc(CNCc2cccc([O-])c2Br)n1 ZINC000459467925 1100212478 /nfs/dbraw/zinc/21/24/78/1100212478.db2.gz ZQPLWGFSXHZQSZ-UHFFFAOYSA-N -1 3 365.271 4.017 20 0 FIADHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)c(Cl)cc1Cl ZINC000459482452 1100218479 /nfs/dbraw/zinc/21/84/79/1100218479.db2.gz XNBFBJZHUMJJEN-QMMMGPOBSA-N -1 3 356.228 4.356 20 0 FIADHM CCOc1cc(CNCc2c(F)cc(F)c(F)c2F)cc(Cl)c1[O-] ZINC000459501369 1100238614 /nfs/dbraw/zinc/23/86/14/1100238614.db2.gz HYGLAQJSNFIYFD-UHFFFAOYSA-N -1 3 363.738 4.291 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000007051682 1100240535 /nfs/dbraw/zinc/24/05/35/1100240535.db2.gz RAZCYKBJECKTKQ-UHFFFAOYSA-N -1 3 370.396 4.106 20 0 FIADHM CCOc1cc(CN2CCSC[C@@H]2c2nccs2)cc(Cl)c1[O-] ZINC000459518222 1100257785 /nfs/dbraw/zinc/25/77/85/1100257785.db2.gz FKPXGIWHNXCTSY-CYBMUJFWSA-N -1 3 370.927 4.191 20 0 FIADHM [O-]c1cccc(CNCc2cc(C3CC3)ccc2F)c1Br ZINC000459572583 1100319949 /nfs/dbraw/zinc/31/99/49/1100319949.db2.gz QYYSIYZLQFPWKR-UHFFFAOYSA-N -1 3 350.231 4.461 20 0 FIADHM CCc1cccc2c(CC(=O)Nc3ccc(Br)cc3[O-])c[nH]c21 ZINC000517595278 1100508775 /nfs/dbraw/zinc/50/87/75/1100508775.db2.gz VYBSRHCTNYHBIK-UHFFFAOYSA-N -1 3 373.250 4.380 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000517611198 1100526409 /nfs/dbraw/zinc/52/64/09/1100526409.db2.gz CJWLZZHYSXDRTJ-OAHLLOKOSA-N -1 3 355.463 4.187 20 0 FIADHM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000517702231 1100614848 /nfs/dbraw/zinc/61/48/48/1100614848.db2.gz AUIGVAOCSOBDSA-AMIZOPFISA-N -1 3 362.303 4.267 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1C ZINC000438770114 1100906399 /nfs/dbraw/zinc/90/63/99/1100906399.db2.gz DIDYWGJGRYCFFH-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c(C)c1 ZINC000518093222 1100908357 /nfs/dbraw/zinc/90/83/57/1100908357.db2.gz UXUMEQZDHSSGDU-UHFFFAOYSA-N -1 3 363.479 4.292 20 0 FIADHM O=C(CC1CCC(c2ccccc2)CC1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000518136686 1100926974 /nfs/dbraw/zinc/92/69/74/1100926974.db2.gz TZPPQONXMJANGR-UHFFFAOYSA-N -1 3 360.461 4.196 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)c3ccccc3C(C)C)c[n-]c12 ZINC000426178173 1100949964 /nfs/dbraw/zinc/94/99/64/1100949964.db2.gz KSULMALTUDCNEJ-UHFFFAOYSA-N -1 3 352.409 4.376 20 0 FIADHM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1Cl ZINC000509579863 1100973141 /nfs/dbraw/zinc/97/31/41/1100973141.db2.gz XEYILTUJOUMLIU-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(-c4ccccc4)cccc32)o1 ZINC000536895325 1101314420 /nfs/dbraw/zinc/31/44/20/1101314420.db2.gz ALJXMIVVIREBFV-GOSISDBHSA-N -1 3 369.442 4.057 20 0 FIADHM CC[C@H](CC1CCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648433143 1101328995 /nfs/dbraw/zinc/32/89/95/1101328995.db2.gz UWNAIAHNNJLDJB-LLVKDONJSA-N -1 3 351.800 4.066 20 0 FIADHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000536907312 1101330217 /nfs/dbraw/zinc/33/02/17/1101330217.db2.gz ZENPACFQIKTEFY-QMMMGPOBSA-N -1 3 365.307 4.052 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCCc1cc2ccccc2s1 ZINC000506563932 1101403588 /nfs/dbraw/zinc/40/35/88/1101403588.db2.gz GOWVGAMHMBJNNA-UHFFFAOYSA-N -1 3 357.450 4.428 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCCC3=CCCCC3)cc2)cc(=O)[n-]1 ZINC000518908946 1101710617 /nfs/dbraw/zinc/71/06/17/1101710617.db2.gz ZYJMQFPGFPRFFZ-UHFFFAOYSA-N -1 3 352.438 4.170 20 0 FIADHM O=C([O-])c1cccc(CN2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000263099110 1101819015 /nfs/dbraw/zinc/81/90/15/1101819015.db2.gz WDHINFIWSDDUFW-UHFFFAOYSA-N -1 3 356.491 4.100 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](C)c3ccccc3F)cc2)n1 ZINC000102637781 1101898636 /nfs/dbraw/zinc/89/86/36/1101898636.db2.gz SYKNWCFZSXKBFE-ZDUSSCGKSA-N -1 3 365.408 4.017 20 0 FIADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000024744315 1101900400 /nfs/dbraw/zinc/90/04/00/1101900400.db2.gz MHVALMWWXWSWLF-NSHDSACASA-N -1 3 360.335 4.038 20 0 FIADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)cc1 ZINC000519120780 1101944817 /nfs/dbraw/zinc/94/48/17/1101944817.db2.gz VQUQRDDQNKGVIZ-CQSZACIVSA-N -1 3 360.479 4.349 20 0 FIADHM CN(C)[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000476140510 1101967695 /nfs/dbraw/zinc/96/76/95/1101967695.db2.gz GPMVTEYEMVNZGI-HNNXBMFYSA-N -1 3 372.774 4.306 20 0 FIADHM CN(C)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000476140511 1101968124 /nfs/dbraw/zinc/96/81/24/1101968124.db2.gz GPMVTEYEMVNZGI-OAHLLOKOSA-N -1 3 372.774 4.306 20 0 FIADHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476178597 1102019321 /nfs/dbraw/zinc/01/93/21/1102019321.db2.gz WPKVXOLAYYYEOL-UHFFFAOYSA-N -1 3 357.303 4.346 20 0 FIADHM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccc(Br)cc1[O-] ZINC000666329525 1102104770 /nfs/dbraw/zinc/10/47/70/1102104770.db2.gz PUMQVUCZVSZRGH-TZMCWYRMSA-N -1 3 360.198 4.309 20 0 FIADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000025323520 1102140391 /nfs/dbraw/zinc/14/03/91/1102140391.db2.gz PYDKVUICHORWNH-UHFFFAOYSA-N -1 3 361.858 4.061 20 0 FIADHM Cc1nc(CC(F)(F)F)sc1CC(=O)Nc1c([O-])cccc1Cl ZINC000897847053 1102141893 /nfs/dbraw/zinc/14/18/93/1102141893.db2.gz QUTXXYWXKJKHRL-UHFFFAOYSA-N -1 3 364.776 4.097 20 0 FIADHM O=C([O-])c1ccc(OCCN(Cc2cccc(F)c2)C2CC2)c(Cl)c1 ZINC000519412726 1102179052 /nfs/dbraw/zinc/17/90/52/1102179052.db2.gz IWBSMYBWEVPMOY-UHFFFAOYSA-N -1 3 363.816 4.221 20 0 FIADHM CCOc1ccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)cc1OC ZINC000666586886 1102311131 /nfs/dbraw/zinc/31/11/31/1102311131.db2.gz ZEJDGAKKXKPSFA-UHFFFAOYSA-N -1 3 369.461 4.172 20 0 FIADHM CCc1noc(C)c1[N-]C(=O)c1cc2sc(N(CC)CC)nc2s1 ZINC000121101274 1102325605 /nfs/dbraw/zinc/32/56/05/1102325605.db2.gz WCSROGXWLVLMMF-UHFFFAOYSA-N -1 3 364.496 4.315 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccc(COc2ccc3ccccc3c2)o1 ZINC000473635050 1102338271 /nfs/dbraw/zinc/33/82/71/1102338271.db2.gz DPHADYOGGCISSK-UHFFFAOYSA-N -1 3 374.396 4.042 20 0 FIADHM CCCCOc1ccccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000121794457 1102470164 /nfs/dbraw/zinc/47/01/64/1102470164.db2.gz SUQXUZQBJGSIIJ-UHFFFAOYSA-N -1 3 368.408 4.407 20 0 FIADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1ccc(F)cc1 ZINC000111210379 1102477652 /nfs/dbraw/zinc/47/76/52/1102477652.db2.gz NHFFKYRIXJWUHW-UHFFFAOYSA-N -1 3 359.788 4.185 20 0 FIADHM CCCOc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111212774 1102479227 /nfs/dbraw/zinc/47/92/27/1102479227.db2.gz ZXAHHRBBALSRFH-UHFFFAOYSA-N -1 3 361.825 4.436 20 0 FIADHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cs1 ZINC000111363488 1102530023 /nfs/dbraw/zinc/53/00/23/1102530023.db2.gz LAYJFHUQFNCIKS-QMMMGPOBSA-N -1 3 365.307 4.052 20 0 FIADHM COc1cccc(C2(CNC(=O)c3cc([O-])ccc3Cl)CCCC2)c1 ZINC000550846352 1102539962 /nfs/dbraw/zinc/53/99/62/1102539962.db2.gz JFOGCGJEQORWPZ-UHFFFAOYSA-N -1 3 359.853 4.296 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000125288835 1102677508 /nfs/dbraw/zinc/67/75/08/1102677508.db2.gz ZIKJHJLJYVBKCT-UHFFFAOYSA-N -1 3 371.440 4.029 20 0 FIADHM CCOc1cc(CN2CCO[C@H](c3cccs3)C2)cc(Cl)c1[O-] ZINC000459317635 1102796884 /nfs/dbraw/zinc/79/68/84/1102796884.db2.gz BBZAJKSMXQEWRY-HNNXBMFYSA-N -1 3 353.871 4.079 20 0 FIADHM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426723709 1102942271 /nfs/dbraw/zinc/94/22/71/1102942271.db2.gz NDWDINISEKIYFZ-KRWDZBQOSA-N -1 3 351.805 4.182 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@@H](CC3CCCC3)C(=O)[O-])cs2)cc1 ZINC000426728716 1102947970 /nfs/dbraw/zinc/94/79/70/1102947970.db2.gz WUSDVSAXYDNOKB-SFHVURJKSA-N -1 3 374.506 4.154 20 0 FIADHM O=C([O-])[C@@H](Cc1cccc(Cl)c1)NCc1csc(-c2ccccc2)n1 ZINC000426729134 1102948569 /nfs/dbraw/zinc/94/85/69/1102948569.db2.gz AFGFVJQPUWMJOC-QGZVFWFLSA-N -1 3 372.877 4.249 20 0 FIADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000476926063 1102956225 /nfs/dbraw/zinc/95/62/25/1102956225.db2.gz RAHIETYXPXQQCL-CQSZACIVSA-N -1 3 372.273 4.022 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(-c2ccncc2)c1)c1ccc(Cl)c(F)c1 ZINC000426726857 1102961362 /nfs/dbraw/zinc/96/13/62/1102961362.db2.gz LSVOPZGOFJYCEA-IBGZPJMESA-N -1 3 370.811 4.457 20 0 FIADHM O=C([O-])[C@H](NCc1cc(Br)cs1)c1cccc(Cl)c1 ZINC000426746535 1102964898 /nfs/dbraw/zinc/96/48/98/1102964898.db2.gz JWYADFGGWWAMGU-GFCCVEGCSA-N -1 3 360.660 4.080 20 0 FIADHM CCCOc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000426748392 1102965947 /nfs/dbraw/zinc/96/59/47/1102965947.db2.gz XAANXQHXGQAAIG-SFHVURJKSA-N -1 3 363.841 4.053 20 0 FIADHM COc1cccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000426754875 1102970523 /nfs/dbraw/zinc/97/05/23/1102970523.db2.gz UWEDJFOFEJMEFK-MRXNPFEDSA-N -1 3 354.233 4.308 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(OCC(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000426755736 1102971734 /nfs/dbraw/zinc/97/17/34/1102971734.db2.gz FNVKBFNJCVXHEH-MRXNPFEDSA-N -1 3 373.758 4.039 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@@H](CC(C)(C)C)C(=O)[O-])cs2)cc1 ZINC000426777286 1102981478 /nfs/dbraw/zinc/98/14/78/1102981478.db2.gz MDWYEBXUFFAMCL-INIZCTEOSA-N -1 3 362.495 4.010 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 ZINC000426786778 1102990422 /nfs/dbraw/zinc/99/04/22/1102990422.db2.gz YMAYYVNJPXBDAW-OAQYLSRUSA-N -1 3 365.404 4.320 20 0 FIADHM CCc1ccc([C@H](NCc2ccc(F)c(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426792922 1102993852 /nfs/dbraw/zinc/99/38/52/1102993852.db2.gz LEQAYOMPANUZMQ-INIZCTEOSA-N -1 3 355.331 4.322 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(OCc2ccccc2F)c1)c1ccsc1 ZINC000426795889 1102995800 /nfs/dbraw/zinc/99/58/00/1102995800.db2.gz ZJYOTBCKZOKTNY-IBGZPJMESA-N -1 3 371.433 4.382 20 0 FIADHM CC(C)(C)[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000426804664 1103001643 /nfs/dbraw/zinc/00/16/43/1103001643.db2.gz VPIJRDVCSZVDFA-CYBMUJFWSA-N -1 3 372.412 4.418 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000426829634 1103003716 /nfs/dbraw/zinc/00/37/16/1103003716.db2.gz QLVIOTKFQWFNPZ-GFCCVEGCSA-N -1 3 374.687 4.470 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000426829635 1103004438 /nfs/dbraw/zinc/00/44/38/1103004438.db2.gz QLVIOTKFQWFNPZ-LBPRGKRZSA-N -1 3 374.687 4.470 20 0 FIADHM COc1ccc([C@H](NCc2ccc(C(F)(F)F)cc2C)C(=O)[O-])cc1F ZINC000426831056 1103004565 /nfs/dbraw/zinc/00/45/65/1103004565.db2.gz CSIKROQXUNUWOK-INIZCTEOSA-N -1 3 371.330 4.077 20 0 FIADHM Cc1cc([C@@H](NCc2ccc(Br)s2)C(=O)[O-])ccc1Cl ZINC000426810662 1103007441 /nfs/dbraw/zinc/00/74/41/1103007441.db2.gz PTRMJHLXBUEYLX-CYBMUJFWSA-N -1 3 374.687 4.388 20 0 FIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2)sc1Br ZINC000426820957 1103014920 /nfs/dbraw/zinc/01/49/20/1103014920.db2.gz OQIOCGSGMHRREY-ZDUSSCGKSA-N -1 3 372.259 4.264 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccncc1C(F)(F)F ZINC000506992127 1103015127 /nfs/dbraw/zinc/01/51/27/1103015127.db2.gz SJUKGSBOBQVZMX-UHFFFAOYSA-N -1 3 350.218 4.077 20 0 FIADHM O=c1cc(CN[C@@H](Cc2ccccc2)c2ccccc2F)nc(C2CC2)[n-]1 ZINC000459383203 1103118540 /nfs/dbraw/zinc/11/85/40/1103118540.db2.gz GTEHTVVMRBSERE-FQEVSTJZSA-N -1 3 363.436 4.272 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1CCC1CCCCC1 ZINC000427098155 1103259756 /nfs/dbraw/zinc/25/97/56/1103259756.db2.gz ANRJCWLPXFENFP-KRWDZBQOSA-N -1 3 352.478 4.493 20 0 FIADHM COc1ccc(F)cc1[C@H](C)NCc1cccc([O-])c1Br ZINC000315474086 1103275211 /nfs/dbraw/zinc/27/52/11/1103275211.db2.gz ZCIQQZODRYNZHG-JTQLQIEISA-N -1 3 354.219 4.153 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)Cc2c[nH]c3cc(Cl)ccc23)[nH][n-]1 ZINC000551504309 1103291593 /nfs/dbraw/zinc/29/15/93/1103291593.db2.gz PERKFDFYKTUZSL-UHFFFAOYSA-N -1 3 364.836 4.123 20 0 FIADHM O=c1ccnc(C(=Cc2ccn(-c3ccccc3)n2)Cc2ccccc2)[n-]1 ZINC000477411945 1103471220 /nfs/dbraw/zinc/47/12/20/1103471220.db2.gz JZOIQEWNRJVIJQ-VLGSPTGOSA-N -1 3 354.413 4.151 20 0 FIADHM CC(C)(C)c1nnc([N-]C(=O)c2ncccc2Oc2ccccc2)s1 ZINC000440677974 1103892302 /nfs/dbraw/zinc/89/23/02/1103892302.db2.gz KWNCJMKMGPTKAT-UHFFFAOYSA-N -1 3 354.435 4.275 20 0 FIADHM Cc1nc(C)c(CCC(=O)N(c2ccccc2)C2CCCCC2)c(=O)[n-]1 ZINC000519999335 1104023382 /nfs/dbraw/zinc/02/33/82/1104023382.db2.gz HWAHWNBTTWSTIU-UHFFFAOYSA-N -1 3 353.466 4.098 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(-c3ccco3)nc2C)[nH][n-]1 ZINC000538219305 1104042949 /nfs/dbraw/zinc/04/29/49/1104042949.db2.gz ILYLZFKPHNYKSW-UHFFFAOYSA-N -1 3 358.401 4.023 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1csc(Br)c1 ZINC000441002034 1104068785 /nfs/dbraw/zinc/06/87/85/1104068785.db2.gz URWZIVODIUINRU-UHFFFAOYSA-N -1 3 366.158 4.487 20 0 FIADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025741203 1104143007 /nfs/dbraw/zinc/14/30/07/1104143007.db2.gz ZMTLDCQJQXTNHG-UHFFFAOYSA-N -1 3 374.506 4.343 20 0 FIADHM CCCOc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1OCC ZINC000028913247 1104211129 /nfs/dbraw/zinc/21/11/29/1104211129.db2.gz DXBKSCYZCIZHMO-RMKNXTFCSA-N -1 3 356.418 4.484 20 0 FIADHM Cc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)c1[O-] ZINC000102306257 1104394614 /nfs/dbraw/zinc/39/46/14/1104394614.db2.gz LEKYSNSBANISGN-UHFFFAOYSA-N -1 3 352.415 4.267 20 0 FIADHM CCN(C(=O)c1ccccc1[O-])[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000112814632 1104409069 /nfs/dbraw/zinc/40/90/69/1104409069.db2.gz YSAVFPNAYSEAKB-HXUWFJFHSA-N -1 3 368.383 4.317 20 0 FIADHM Cc1csc(-c2cccc(NC(=O)c3c[n-]c4ccccc4c3=O)c2)n1 ZINC000102376174 1104432990 /nfs/dbraw/zinc/43/29/90/1104432990.db2.gz ZARZTBMVBBMPRF-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM Cc1cc(F)c(CNC[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c(Cl)c1 ZINC000417545827 1104956023 /nfs/dbraw/zinc/95/60/23/1104956023.db2.gz KQVLPHHONGAASG-ZDUSSCGKSA-N -1 3 370.251 4.474 20 0 FIADHM CC(C)Sc1cccc(Cl)c1CNC[C@H](CC(=O)[O-])C(F)F ZINC000417615772 1105016814 /nfs/dbraw/zinc/01/68/14/1105016814.db2.gz CYLDWQLXEWRWES-JTQLQIEISA-N -1 3 351.846 4.286 20 0 FIADHM Cc1onc(C2CC2)c1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000563784530 1105020102 /nfs/dbraw/zinc/02/01/02/1105020102.db2.gz QQIXUDNNVGQDKH-UHFFFAOYSA-N -1 3 358.398 4.079 20 0 FIADHM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(-c2ccccc2)cc1 ZINC000520702477 1105124845 /nfs/dbraw/zinc/12/48/45/1105124845.db2.gz QMKIHBYEEGRTHW-UHFFFAOYSA-N -1 3 351.427 4.089 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3ccc(Cl)c(Cl)c3)no2)c1 ZINC000320550741 1105125093 /nfs/dbraw/zinc/12/50/93/1105125093.db2.gz FPNMPDJCHZMOSY-UHFFFAOYSA-N -1 3 351.189 4.348 20 0 FIADHM Cc1cc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)ncn1 ZINC000427849306 1105293926 /nfs/dbraw/zinc/29/39/26/1105293926.db2.gz FAXBLXWMRVNMHP-UHFFFAOYSA-N -1 3 370.459 4.189 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000427929608 1105317948 /nfs/dbraw/zinc/31/79/48/1105317948.db2.gz HEUKXZVLTKXVKQ-KBPBESRZSA-N -1 3 354.208 4.258 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000427929612 1105318174 /nfs/dbraw/zinc/31/81/74/1105318174.db2.gz HEUKXZVLTKXVKQ-KGLIPLIRSA-N -1 3 354.208 4.258 20 0 FIADHM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000508140591 1105338869 /nfs/dbraw/zinc/33/88/69/1105338869.db2.gz CCGQQZFTTDCFJU-UHFFFAOYSA-N -1 3 362.470 4.315 20 0 FIADHM [O-]c1ccc(F)c(CN(CCc2ccccn2)Cc2ccc(F)cc2)c1F ZINC000508180605 1105350364 /nfs/dbraw/zinc/35/03/64/1105350364.db2.gz MVWGEVRPUOPRAD-UHFFFAOYSA-N -1 3 372.390 4.449 20 0 FIADHM O=C([O-])[C@@H](CCN1CCc2c(cccc2C(F)(F)F)C1)c1ccccc1 ZINC000530171815 1106902497 /nfs/dbraw/zinc/90/24/97/1106902497.db2.gz GEZZSENUUPILME-KRWDZBQOSA-N -1 3 363.379 4.322 20 0 FIADHM CCc1ccc(-c2nc(CN3[C@@H](C)CC(C(=O)[O-])C[C@@H]3C)cs2)cc1 ZINC000530179048 1106906039 /nfs/dbraw/zinc/90/60/39/1106906039.db2.gz LCVFMEIWRTZQIT-KBPBESRZSA-N -1 3 358.507 4.446 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@](C)(c4ccccc4)C3)nc2)n1 ZINC000301245199 1106971066 /nfs/dbraw/zinc/97/10/66/1106971066.db2.gz AZTLXBDDGDQAKZ-HSZRJFAPSA-N -1 3 374.488 4.365 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3c[nH]c4c3cccc4C)nc2)n1 ZINC000301402081 1107018749 /nfs/dbraw/zinc/01/87/49/1107018749.db2.gz CSUJFEWVKPVXDE-UHFFFAOYSA-N -1 3 373.460 4.251 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3ccccc3C)nc2)n1 ZINC000301497334 1107048009 /nfs/dbraw/zinc/04/80/09/1107048009.db2.gz BSEFGMVIROYFBT-IBGZPJMESA-N -1 3 360.461 4.457 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cccc(F)c3F)nc2)n1 ZINC000301929549 1107217849 /nfs/dbraw/zinc/21/78/49/1107217849.db2.gz NWPKWRXUJMYTJS-NSHDSACASA-N -1 3 356.376 4.258 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)c3ccc(F)c(F)c3)nc2)n1 ZINC000301977554 1107235900 /nfs/dbraw/zinc/23/59/00/1107235900.db2.gz FLXPJVJJUUFUGS-GFCCVEGCSA-N -1 3 370.403 4.282 20 0 FIADHM O=C(COc1ccccc1OCc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000530896662 1107387099 /nfs/dbraw/zinc/38/70/99/1107387099.db2.gz KMRNYVLMPYHFOR-UHFFFAOYSA-N -1 3 367.376 4.128 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(Cl)cccc3OC)nc2)n1 ZINC000302709149 1107415619 /nfs/dbraw/zinc/41/56/19/1107415619.db2.gz KBOBXWMDNSQBKP-UHFFFAOYSA-N -1 3 370.840 4.081 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c2ccccc12 ZINC000614758556 1107648674 /nfs/dbraw/zinc/64/86/74/1107648674.db2.gz LCVWCEBNTUPQAU-UHFFFAOYSA-N -1 3 365.813 4.442 20 0 FIADHM O=C(C[C@H]1CCOc2ccccc21)Nc1cc(Br)ccc1[O-] ZINC000531254140 1107702409 /nfs/dbraw/zinc/70/24/09/1107702409.db2.gz KELQWBQVAUYSQJ-LLVKDONJSA-N -1 3 362.223 4.050 20 0 FIADHM Cc1nc(C(C)C)sc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000531253908 1107702440 /nfs/dbraw/zinc/70/24/40/1107702440.db2.gz WQJKMSYZVUUGLI-UHFFFAOYSA-N -1 3 355.257 4.295 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000261413926 1107790237 /nfs/dbraw/zinc/79/02/37/1107790237.db2.gz BLGKJZQPKXAWRW-CYBMUJFWSA-N -1 3 372.490 4.342 20 0 FIADHM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H](c2ccccc2)C1 ZINC000666001706 1107879855 /nfs/dbraw/zinc/87/98/55/1107879855.db2.gz PGMZIOCULVRVAB-RYQLBKOJSA-N -1 3 360.457 4.230 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1C ZINC000523124455 1107917254 /nfs/dbraw/zinc/91/72/54/1107917254.db2.gz NGOLDYIKOYXPMZ-UHFFFAOYSA-N -1 3 373.396 4.354 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)c1csc(C2CC2)n1 ZINC000452744517 1107928757 /nfs/dbraw/zinc/92/87/57/1107928757.db2.gz CJKYUSJPDOMYMF-UHFFFAOYSA-N -1 3 353.241 4.049 20 0 FIADHM CC(C)(C)c1ncc(C(=O)Nc2cc(Br)ccc2[O-])s1 ZINC000531492772 1107929229 /nfs/dbraw/zinc/92/92/29/1107929229.db2.gz UGNMDVCIMRLVTD-UHFFFAOYSA-N -1 3 355.257 4.161 20 0 FIADHM CC[C@H](CC(F)(F)F)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452759692 1107939001 /nfs/dbraw/zinc/93/90/01/1107939001.db2.gz UVTINSLWPBOVLL-MRVPVSSYSA-N -1 3 354.166 4.380 20 0 FIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000531534048 1107953887 /nfs/dbraw/zinc/95/38/87/1107953887.db2.gz DQABQZBSTISRHI-UHFFFAOYSA-N -1 3 373.478 4.176 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000523424279 1108211089 /nfs/dbraw/zinc/21/10/89/1108211089.db2.gz LMSBHNLUXBFUGW-UHFFFAOYSA-N -1 3 374.415 4.464 20 0 FIADHM CCCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(OC)cc1 ZINC000523465706 1108238604 /nfs/dbraw/zinc/23/86/04/1108238604.db2.gz LGTPNYGTCNJIBF-SFHVURJKSA-N -1 3 360.429 4.271 20 0 FIADHM Cc1cccc(CS(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)c1 ZINC000546564952 1108335571 /nfs/dbraw/zinc/33/55/71/1108335571.db2.gz HPVOXXPZEYUTIN-UHFFFAOYSA-N -1 3 356.422 4.138 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC(F)F)c(F)c2)CC)n1 ZINC000193615939 1108784188 /nfs/dbraw/zinc/78/41/88/1108784188.db2.gz HPVXHRZAHNCTMZ-WQLSENKSSA-N -1 3 352.356 4.414 20 0 FIADHM Cc1ccc(-c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)c([O-])c1 ZINC000445648790 1108942355 /nfs/dbraw/zinc/94/23/55/1108942355.db2.gz LQAIFQDGGARQJM-UHFFFAOYSA-N -1 3 352.781 4.257 20 0 FIADHM CC(C)(C)c1ccc(CCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000524302511 1108958172 /nfs/dbraw/zinc/95/81/72/1108958172.db2.gz BUAMWHFCTKBVGS-UHFFFAOYSA-N -1 3 354.376 4.082 20 0 FIADHM CC(C)(C)c1ccc(CCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000524302511 1108958173 /nfs/dbraw/zinc/95/81/73/1108958173.db2.gz BUAMWHFCTKBVGS-UHFFFAOYSA-N -1 3 354.376 4.082 20 0 FIADHM O=S(=O)([N-][C@H](c1cccc(F)c1)c1cccc(Cl)c1)c1ccco1 ZINC000445734244 1108974546 /nfs/dbraw/zinc/97/45/46/1108974546.db2.gz PQARRWANNKSEKP-KRWDZBQOSA-N -1 3 365.813 4.140 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000445928961 1109044939 /nfs/dbraw/zinc/04/49/39/1109044939.db2.gz CMANIGBDFHWMLM-AWEZNQCLSA-N -1 3 370.277 4.009 20 0 FIADHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000446106157 1109108238 /nfs/dbraw/zinc/10/82/38/1109108238.db2.gz ZAHUZNBRVOPARF-UHFFFAOYSA-N -1 3 374.755 4.173 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)c3cccc(Cl)c3)cc2)n1 ZINC000524663579 1109110605 /nfs/dbraw/zinc/11/06/05/1109110605.db2.gz ZNVVWRUJMMZTLE-ZDUSSCGKSA-N -1 3 367.836 4.141 20 0 FIADHM Cc1ccc(CS(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)c(F)c1 ZINC000446788974 1109338617 /nfs/dbraw/zinc/33/86/17/1109338617.db2.gz ZYNDVRSXHDMZMD-UHFFFAOYSA-N -1 3 374.412 4.277 20 0 FIADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000193242990 1109351320 /nfs/dbraw/zinc/35/13/20/1109351320.db2.gz HWRLCJGPIVFUMM-LLVKDONJSA-N -1 3 365.351 4.482 20 0 FIADHM CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142106039 1109423611 /nfs/dbraw/zinc/42/36/11/1109423611.db2.gz XEOCKQKSDIGNCT-LLVKDONJSA-N -1 3 362.253 4.225 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@H]3C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000525778554 1109515861 /nfs/dbraw/zinc/51/58/61/1109515861.db2.gz HUHLRYNEKVIOET-HKUYNNGSSA-N -1 3 366.465 4.248 20 0 FIADHM O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1cccc2n[n-]nc21 ZINC000525865783 1109537834 /nfs/dbraw/zinc/53/78/34/1109537834.db2.gz PJMUUFXVBJCAEM-UHFFFAOYSA-N -1 3 366.327 4.281 20 0 FIADHM COc1cccc(C[C@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000526046418 1109602847 /nfs/dbraw/zinc/60/28/47/1109602847.db2.gz DWLDKITYXDVTDW-GOSISDBHSA-N -1 3 371.452 4.096 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000526948589 1109647623 /nfs/dbraw/zinc/64/76/23/1109647623.db2.gz YELHNGRULWDQHQ-MRXNPFEDSA-N -1 3 354.454 4.248 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(-c2cccnc2)cs1 ZINC000527312838 1109736461 /nfs/dbraw/zinc/73/64/61/1109736461.db2.gz MDPMDFCRIUBUPG-UHFFFAOYSA-N -1 3 357.410 4.011 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000448586024 1109829512 /nfs/dbraw/zinc/82/95/12/1109829512.db2.gz TVSCPCHODCUVOK-UHFFFAOYSA-N -1 3 370.449 4.090 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000448621304 1109840611 /nfs/dbraw/zinc/84/06/11/1109840611.db2.gz ITJYGKSGPVNMRI-UHFFFAOYSA-N -1 3 357.381 4.144 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000450061221 1110230780 /nfs/dbraw/zinc/23/07/80/1110230780.db2.gz PEJBOJARFTTZSS-UHFFFAOYSA-N -1 3 370.424 4.231 20 0 FIADHM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450323148 1110283347 /nfs/dbraw/zinc/28/33/47/1110283347.db2.gz FTHXUASVPGKONE-RYUDHWBXSA-N -1 3 369.358 4.401 20 0 FIADHM COCCC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000529634906 1110297106 /nfs/dbraw/zinc/29/71/06/1110297106.db2.gz QEYVIMJUKQQGDC-UHFFFAOYSA-N -1 3 367.489 4.066 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c1 ZINC000538744379 1111277580 /nfs/dbraw/zinc/27/75/80/1111277580.db2.gz IOOJXQSBXVOLPQ-YJYMSZOUSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1ccc([O-])c(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000538816135 1111308235 /nfs/dbraw/zinc/30/82/35/1111308235.db2.gz BRECQGLRFRBIAJ-HXUWFJFHSA-N -1 3 350.393 4.008 20 0 FIADHM COCCCCN(Cc1ccccc1)C(=O)c1cc(SC)ccc1[O-] ZINC000667154751 1111317746 /nfs/dbraw/zinc/31/77/46/1111317746.db2.gz PGEFXSGCKDSVNR-UHFFFAOYSA-N -1 3 359.491 4.183 20 0 FIADHM O=C(Cc1cccc(OCc2cccnc2)c1)Nc1ccc(Cl)cc1[O-] ZINC000538865565 1111326498 /nfs/dbraw/zinc/32/64/98/1111326498.db2.gz QJECVVVAEOXVPZ-UHFFFAOYSA-N -1 3 368.820 4.201 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)c(C)c1 ZINC000539193506 1111474120 /nfs/dbraw/zinc/47/41/20/1111474120.db2.gz UBTPJCACUADCTF-UHFFFAOYSA-N -1 3 351.493 4.225 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccc(Sc3ccccn3)cc2)c1[O-] ZINC000552069347 1111566226 /nfs/dbraw/zinc/56/62/26/1111566226.db2.gz ONPPMGYVSUASIY-UHFFFAOYSA-N -1 3 364.426 4.393 20 0 FIADHM COCc1c(C(=O)Nc2cccc(C(C)=O)c2[O-])sc2cccc(F)c21 ZINC000552286563 1111650544 /nfs/dbraw/zinc/65/05/44/1111650544.db2.gz TVZLRUOIDLQMFO-UHFFFAOYSA-N -1 3 373.405 4.347 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)CCC=C2 ZINC000552388520 1111696519 /nfs/dbraw/zinc/69/65/19/1111696519.db2.gz FVBGIRUKJWPBGG-UHFFFAOYSA-N -1 3 358.235 4.044 20 0 FIADHM O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cc([O-])ccc1Cl ZINC000478315605 1111743048 /nfs/dbraw/zinc/74/30/48/1111743048.db2.gz OQCDOJBCDSFWQO-MRXNPFEDSA-N -1 3 357.797 4.026 20 0 FIADHM O=C([N-]c1ncc(-c2cccnc2)s1)c1c(F)c(F)cc(F)c1F ZINC000553121929 1111911634 /nfs/dbraw/zinc/91/16/34/1111911634.db2.gz MMSQJHFHAUJPLX-UHFFFAOYSA-N -1 3 353.300 4.014 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)o1 ZINC000553256804 1111937615 /nfs/dbraw/zinc/93/76/15/1111937615.db2.gz NFXIAKZONCSKDX-UHFFFAOYSA-N -1 3 372.494 4.117 20 0 FIADHM Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000553294927 1111942572 /nfs/dbraw/zinc/94/25/72/1111942572.db2.gz WQEXBGIODUWIAZ-UHFFFAOYSA-N -1 3 367.428 4.038 20 0 FIADHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(F)c1 ZINC000479527573 1112053282 /nfs/dbraw/zinc/05/32/82/1112053282.db2.gz ZAWDAGFZCILJEO-UHFFFAOYSA-N -1 3 366.439 4.023 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3(Cc4ccccc4)CC3)cc2)cc(=O)[n-]1 ZINC000479782298 1112141037 /nfs/dbraw/zinc/14/10/37/1112141037.db2.gz UKRSEBVQPHZRPH-UHFFFAOYSA-N -1 3 374.444 4.054 20 0 FIADHM CCc1ccc([C@@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)cc1 ZINC000554159295 1112221135 /nfs/dbraw/zinc/22/11/35/1112221135.db2.gz IFSAEBDUJKYWKF-LJQANCHMSA-N -1 3 355.453 4.433 20 0 FIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc2c(c1)CCCC2 ZINC000480078469 1112264424 /nfs/dbraw/zinc/26/44/24/1112264424.db2.gz WLUYOXOFPZDSRQ-UHFFFAOYSA-N -1 3 357.262 4.068 20 0 FIADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554524945 1112389751 /nfs/dbraw/zinc/38/97/51/1112389751.db2.gz YKLBRDVRQDXVJK-KGLIPLIRSA-N -1 3 356.857 4.066 20 0 FIADHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(CC(F)(F)F)cs3)on2)cc1 ZINC000554701022 1112447454 /nfs/dbraw/zinc/44/74/54/1112447454.db2.gz DGPGNJUZXLXDPZ-UHFFFAOYSA-N -1 3 367.352 4.464 20 0 FIADHM Cc1cccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1[O-] ZINC000156568366 1112610299 /nfs/dbraw/zinc/61/02/99/1112610299.db2.gz RCWVMYOCQSHOKS-UHFFFAOYSA-N -1 3 360.841 4.087 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c(Cl)c1 ZINC000481881975 1113120752 /nfs/dbraw/zinc/12/07/52/1113120752.db2.gz KIAXYKSPNGTDNI-UHFFFAOYSA-N -1 3 373.305 4.164 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(-c2ccccc2F)co1 ZINC000482120667 1113181300 /nfs/dbraw/zinc/18/13/00/1113181300.db2.gz JZPFWYQIBXBPCX-UHFFFAOYSA-N -1 3 358.344 4.287 20 0 FIADHM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000901907388 1113369767 /nfs/dbraw/zinc/36/97/67/1113369767.db2.gz GKFXNOMPLZKVGU-XFWSIPNHSA-N -1 3 356.900 4.399 20 0 FIADHM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000194571702 1113421494 /nfs/dbraw/zinc/42/14/94/1113421494.db2.gz HOMLXSSTYDAZSE-UHFFFAOYSA-N -1 3 357.837 4.089 20 0 FIADHM Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc(C)c1OC(F)F ZINC000486079976 1113500080 /nfs/dbraw/zinc/50/00/80/1113500080.db2.gz YIPOEIDJKGRVJC-ONEGZZNKSA-N -1 3 369.371 4.221 20 0 FIADHM COc1cccc2c1[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC000486103318 1113504630 /nfs/dbraw/zinc/50/46/30/1113504630.db2.gz HQLVLBIREWCHJX-LBPRGKRZSA-N -1 3 351.324 4.088 20 0 FIADHM CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486424754 1113564413 /nfs/dbraw/zinc/56/44/13/1113564413.db2.gz OQHWMHVTCRVZLO-UKRRQHHQSA-N -1 3 369.303 4.265 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCC3CCC3)cc2)cc1 ZINC000486860130 1113662387 /nfs/dbraw/zinc/66/23/87/1113662387.db2.gz YQNDGGYONKTZCC-UHFFFAOYSA-N -1 3 372.490 4.315 20 0 FIADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000488690150 1113973795 /nfs/dbraw/zinc/97/37/95/1113973795.db2.gz SQRREHBHUAILJX-SNVBAGLBSA-N -1 3 368.658 4.228 20 0 FIADHM Cc1cc(Cl)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488677635 1113974465 /nfs/dbraw/zinc/97/44/65/1113974465.db2.gz MDALALRPHIHQAN-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM O=C(CCc1cc(Cl)cs1)NCc1ccc([O-])c(Br)c1 ZINC000488675944 1113974609 /nfs/dbraw/zinc/97/46/09/1113974609.db2.gz MHRSVDOIOZPRRQ-UHFFFAOYSA-N -1 3 374.687 4.119 20 0 FIADHM Cc1ccccc1[C@H](C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000488679302 1113975262 /nfs/dbraw/zinc/97/52/62/1113975262.db2.gz UYHFAZCVRCFJMW-CYBMUJFWSA-N -1 3 362.267 4.273 20 0 FIADHM CCCC[C@H](CC)CSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000489016195 1114032565 /nfs/dbraw/zinc/03/25/65/1114032565.db2.gz PUUPRQZFWHQNLS-LBPRGKRZSA-N -1 3 363.483 4.134 20 0 FIADHM COc1cc(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)cc(OC)c1[O-] ZINC000490141854 1114223701 /nfs/dbraw/zinc/22/37/01/1114223701.db2.gz HYOHLJKZICIJIC-IBGZPJMESA-N -1 3 357.450 4.235 20 0 FIADHM CCSCc1cc(C(=O)[N-]c2cc(F)c(OC(F)F)cc2F)no1 ZINC000490285342 1114256749 /nfs/dbraw/zinc/25/67/49/1114256749.db2.gz MITBAYYTCULFGG-UHFFFAOYSA-N -1 3 364.320 4.060 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cnc2c(F)cccc2c1 ZINC000490674784 1114318857 /nfs/dbraw/zinc/31/88/57/1114318857.db2.gz TXGRIPGDECIFQG-UHFFFAOYSA-N -1 3 361.170 4.094 20 0 FIADHM FC(F)(F)c1ccc(C2(Nc3ccc4c(c3)[N-]C(=S)C4)COC2)cc1 ZINC001168377142 1114373201 /nfs/dbraw/zinc/37/32/01/1114373201.db2.gz BEVJGVVKIHNJOK-UHFFFAOYSA-N -1 3 364.392 4.338 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(Cc3ccccc3OC)CC2)c1 ZINC000588228633 1114556345 /nfs/dbraw/zinc/55/63/45/1114556345.db2.gz PRFCIQXTWUVFHX-UHFFFAOYSA-N -1 3 353.462 4.058 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000572866225 1114808127 /nfs/dbraw/zinc/80/81/27/1114808127.db2.gz YMFFFGSBALWUTA-BHIFYINESA-N -1 3 373.452 4.190 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3ccc(Cl)s3)n2)cc1 ZINC000590683470 1114958335 /nfs/dbraw/zinc/95/83/35/1114958335.db2.gz YAZGIKSGJOZNNT-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM CCCN(Cc1ccccc1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058204919 1115138944 /nfs/dbraw/zinc/13/89/44/1115138944.db2.gz WJPNLXSYMZTYRC-UHFFFAOYSA-N -1 3 358.536 4.463 20 0 FIADHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC2 ZINC000592822181 1115266966 /nfs/dbraw/zinc/26/69/66/1115266966.db2.gz VXBWRDOHZZLZOW-LLVKDONJSA-N -1 3 362.303 4.329 20 0 FIADHM CCc1oc(C(=O)[O-])cc1CN1CCC(Cc2cccc(F)c2F)CC1 ZINC000574414614 1115357315 /nfs/dbraw/zinc/35/73/15/1115357315.db2.gz XSVYQCRHSMQGTO-UHFFFAOYSA-N -1 3 363.404 4.273 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2csc(-c3ccccc3C)n2)c1[O-] ZINC000574625242 1115429925 /nfs/dbraw/zinc/42/99/25/1115429925.db2.gz OZVOLMMVQDPXMO-UHFFFAOYSA-N -1 3 352.415 4.279 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H]1CCC[C@H](C)C1 ZINC001212177521 1115532167 /nfs/dbraw/zinc/53/21/67/1115532167.db2.gz PQIAAJHJQGFUAO-SRVKXCTJSA-N -1 3 367.408 4.338 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1 ZINC000575155286 1115549423 /nfs/dbraw/zinc/54/94/23/1115549423.db2.gz HHAXJTFMDVCPCG-UHFFFAOYSA-N -1 3 363.479 4.210 20 0 FIADHM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000575170415 1115550840 /nfs/dbraw/zinc/55/08/40/1115550840.db2.gz IVXRHJBPCPBKAY-CYBMUJFWSA-N -1 3 365.685 4.357 20 0 FIADHM O=C1[N-]C(=O)/C(=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)c2ccccc21 ZINC000060367211 1115622455 /nfs/dbraw/zinc/62/24/55/1115622455.db2.gz ZUUPEJBAZYNAJP-UUASQNMZSA-N -1 3 372.207 4.123 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC(C)(C)c3ccccc3)nc2)n1 ZINC000597926540 1115696254 /nfs/dbraw/zinc/69/62/54/1115696254.db2.gz WWDCXUIQICMBDX-UHFFFAOYSA-N -1 3 362.477 4.008 20 0 FIADHM Cc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)c3ccccc32)c([O-])c1 ZINC000598204367 1115714149 /nfs/dbraw/zinc/71/41/49/1115714149.db2.gz IITLTXFRDNVPJM-INIZCTEOSA-N -1 3 367.445 4.176 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1OC1CCC1 ZINC000605296661 1115880623 /nfs/dbraw/zinc/88/06/23/1115880623.db2.gz OSDRTGJQDUAREV-UHFFFAOYSA-N -1 3 362.223 4.338 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(C)cn3)c(F)c2)cc1 ZINC000605496185 1115904463 /nfs/dbraw/zinc/90/44/63/1115904463.db2.gz JTUFYZHIAJPLBY-UHFFFAOYSA-N -1 3 373.453 4.073 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c(C)c1 ZINC000605495102 1115904475 /nfs/dbraw/zinc/90/44/75/1115904475.db2.gz PUUWQEABMUUAMZ-GFCCVEGCSA-N -1 3 351.855 4.081 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1OCc1ccc(F)cc1 ZINC000606537430 1115953822 /nfs/dbraw/zinc/95/38/22/1115953822.db2.gz SOOLFGSCAKCHHP-UHFFFAOYSA-N -1 3 369.367 4.179 20 0 FIADHM CCC/C=C/C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000063444732 1116067537 /nfs/dbraw/zinc/06/75/37/1116067537.db2.gz ZIFNGGIQXVNCOE-AATRIKPKSA-N -1 3 358.463 4.091 20 0 FIADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C)c(F)c(C)c3)cc2)n1 ZINC000607880608 1116069034 /nfs/dbraw/zinc/06/90/34/1116069034.db2.gz LIUZPCCVAJMFLV-UHFFFAOYSA-N -1 3 373.453 4.046 20 0 FIADHM O=S(=O)([N-][C@@H](CC1CC1)c1ccccc1)c1cc(F)ccc1Cl ZINC000608036688 1116078989 /nfs/dbraw/zinc/07/89/89/1116078989.db2.gz VCSFTIHLXQBVKV-INIZCTEOSA-N -1 3 353.846 4.299 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1SCCc2ccccc21 ZINC000608111263 1116082739 /nfs/dbraw/zinc/08/27/39/1116082739.db2.gz OEEYDBRXDBDICQ-HNNXBMFYSA-N -1 3 364.264 4.124 20 0 FIADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cnc2ccsc2c1 ZINC000608359934 1116101878 /nfs/dbraw/zinc/10/18/78/1116101878.db2.gz XHJAZOXEZQGLBL-UHFFFAOYSA-N -1 3 354.822 4.014 20 0 FIADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2csc3ccccc32)C2CC2)n1 ZINC000509450042 1116198528 /nfs/dbraw/zinc/19/85/28/1116198528.db2.gz HUYCVWXJYKRZHK-HNNXBMFYSA-N -1 3 364.517 4.096 20 0 FIADHM COC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000457083894 1116244371 /nfs/dbraw/zinc/24/43/71/1116244371.db2.gz MPAFNHPESGYIGS-MRXNPFEDSA-N -1 3 355.434 4.073 20 0 FIADHM C[C@H](Oc1ccc(C(=O)Nc2cccc([O-])c2F)cn1)c1ccccc1 ZINC000534947037 1116255140 /nfs/dbraw/zinc/25/51/40/1116255140.db2.gz UQUZBJOZEXTJSC-ZDUSSCGKSA-N -1 3 352.365 4.319 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000535134089 1116274969 /nfs/dbraw/zinc/27/49/69/1116274969.db2.gz MDSQISTYOLQHPM-AZUAARDMSA-N -1 3 366.461 4.067 20 0 FIADHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000462697181 1116392179 /nfs/dbraw/zinc/39/21/79/1116392179.db2.gz HQYBSWGMLARALG-GFCCVEGCSA-N -1 3 374.289 4.048 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(Cl)cc2)o1 ZINC000540207637 1117943914 /nfs/dbraw/zinc/94/39/14/1117943914.db2.gz BSWKZOZNCIBPSV-MRXNPFEDSA-N -1 3 367.879 4.371 20 0 FIADHM CCC[C@@H](NCc1nc(CC)cc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000540360756 1118014174 /nfs/dbraw/zinc/01/41/74/1118014174.db2.gz AOAVDFWUIWBARC-OAHLLOKOSA-N -1 3 353.388 4.394 20 0 FIADHM CCOCc1nc(=O)c2c(-c3ccc(Br)cc3)csc2[n-]1 ZINC000463232444 1118038980 /nfs/dbraw/zinc/03/89/80/1118038980.db2.gz SIXLUFIZDICCSL-UHFFFAOYSA-N -1 3 365.252 4.363 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccccc1-c1ccno1 ZINC000541077077 1118371992 /nfs/dbraw/zinc/37/19/92/1118371992.db2.gz HKPVXCPJMYEYHQ-UHFFFAOYSA-N -1 3 369.229 4.449 20 0 FIADHM Cc1ccnc2ccc(C(=O)Nc3nnc(-c4cc5ccccc5o4)[n-]3)cc12 ZINC000509064166 1118544180 /nfs/dbraw/zinc/54/41/80/1118544180.db2.gz IFDPMJSCQNHCEK-UHFFFAOYSA-N -1 3 369.384 4.327 20 0 FIADHM Cc1ccnc2ccc(C(=O)Nc3n[n-]c(-c4cc5ccccc5o4)n3)cc12 ZINC000509064166 1118544182 /nfs/dbraw/zinc/54/41/82/1118544182.db2.gz IFDPMJSCQNHCEK-UHFFFAOYSA-N -1 3 369.384 4.327 20 0 FIADHM O=C(Nc1nc(-c2cccnc2)cs1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646607399 1118575125 /nfs/dbraw/zinc/57/51/25/1118575125.db2.gz GDDOFCBJFLXACI-UHFFFAOYSA-N -1 3 365.336 4.182 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CC=C(c2cccc3ccccc32)C1 ZINC000541815261 1118653095 /nfs/dbraw/zinc/65/30/95/1118653095.db2.gz QUABVABAXXYZLK-UHFFFAOYSA-N -1 3 362.404 4.293 20 0 FIADHM CCCc1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1ccc(F)cc1 ZINC000542084499 1118782912 /nfs/dbraw/zinc/78/29/12/1118782912.db2.gz YUHWXGRDBHYTSD-UHFFFAOYSA-N -1 3 357.360 4.061 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(F)cc1C(F)(F)F ZINC000303221631 1118881772 /nfs/dbraw/zinc/88/17/72/1118881772.db2.gz VJOCTLHXPRZVIW-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM Cc1ncc(CNC(=O)N[C@H](CC2CCCCC2)c2ccccc2)c(=O)[n-]1 ZINC000542374872 1118918347 /nfs/dbraw/zinc/91/83/47/1118918347.db2.gz ZKLLSELYCYYNJK-LJQANCHMSA-N -1 3 368.481 4.002 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C ZINC000303965621 1119010199 /nfs/dbraw/zinc/01/01/99/1119010199.db2.gz PWVUMXMMVHRLFW-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccc(F)cc1Cl ZINC000176727823 1119291049 /nfs/dbraw/zinc/29/10/49/1119291049.db2.gz JCTMLOMKAVUWGG-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000177918279 1119360727 /nfs/dbraw/zinc/36/07/27/1119360727.db2.gz LWKXGSGPVMVFLP-GFCCVEGCSA-N -1 3 372.856 4.226 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)C2CC2)cc1 ZINC000178444831 1119390705 /nfs/dbraw/zinc/39/07/05/1119390705.db2.gz VIPJHCGVWSHJHA-OAHLLOKOSA-N -1 3 372.490 4.089 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)Cc2cncc3ccccc32)[nH][n-]1 ZINC000493299284 1119441592 /nfs/dbraw/zinc/44/15/92/1119441592.db2.gz AONCGKUPKSKJNB-MRXNPFEDSA-N -1 3 370.456 4.173 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000089357108 1119484636 /nfs/dbraw/zinc/48/46/36/1119484636.db2.gz NQZRIEKWGGMMQR-FQEVSTJZSA-N -1 3 366.461 4.451 20 0 FIADHM CCCCOc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(Cl)c1 ZINC000185315007 1119654213 /nfs/dbraw/zinc/65/42/13/1119654213.db2.gz WMHNALFAAKUQLE-UHFFFAOYSA-N -1 3 360.801 4.149 20 0 FIADHM O=[S@@](Cc1cccc(NCc2cc([O-])cc(F)c2)c1)c1ccccc1 ZINC000185596484 1119674653 /nfs/dbraw/zinc/67/46/53/1119674653.db2.gz JVZUBGJHHKURDN-VWLOTQADSA-N -1 3 355.434 4.451 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F ZINC000494325391 1119833219 /nfs/dbraw/zinc/83/32/19/1119833219.db2.gz CIRNLQXZBCCXMB-VIFPVBQESA-N -1 3 367.364 4.280 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Cl)c(Br)c1 ZINC000224850587 1119999493 /nfs/dbraw/zinc/99/94/93/1119999493.db2.gz TXMFXGFWVQMSIZ-CQDKDKBSSA-N -1 3 372.690 4.320 20 0 FIADHM O=C(/C=C(\c1ccc(Cl)cc1)C(F)(F)F)NCc1ccc([O-])c(F)c1 ZINC000761726988 1120276203 /nfs/dbraw/zinc/27/62/03/1120276203.db2.gz HYYGJQVVMSFFEJ-MDWZMJQESA-N -1 3 373.733 4.447 20 0 FIADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1nc(-c2cccs2)no1 ZINC000914625169 1120431231 /nfs/dbraw/zinc/43/12/31/1120431231.db2.gz URUIKTHWAPSOTJ-ZCFIWIBFSA-N -1 3 358.206 4.351 20 0 FIADHM CC(C)[C@H]1CCCN(Cn2c(Cc3cccs3)n[n-]c2=S)CC1 ZINC000153291601 1120456133 /nfs/dbraw/zinc/45/61/33/1120456133.db2.gz HFBNXPVESAJBGE-AWEZNQCLSA-N -1 3 350.557 4.309 20 0 FIADHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914888959 1120627081 /nfs/dbraw/zinc/62/70/81/1120627081.db2.gz CNDSFXZRJXLRFT-SNVBAGLBSA-N -1 3 362.838 4.375 20 0 FIADHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)c(Cl)c1 ZINC000914891979 1120629657 /nfs/dbraw/zinc/62/96/57/1120629657.db2.gz WSUASMBWFQEKHX-SNVBAGLBSA-N -1 3 362.838 4.375 20 0 FIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000914891393 1120629742 /nfs/dbraw/zinc/62/97/42/1120629742.db2.gz JZCVJBJJZAKMIN-FZMZJTMJSA-N -1 3 374.487 4.200 20 0 FIADHM CCOC(=O)C(=C([O-])CSc1cc(C)ccc1C)c1nc(C)cs1 ZINC000495333936 1120680059 /nfs/dbraw/zinc/68/00/59/1120680059.db2.gz ZGUMSHYYSRFMKS-MRXNPFEDSA-N -1 3 363.504 4.076 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Br)cnc1Cl ZINC000153445922 1120752177 /nfs/dbraw/zinc/75/21/77/1120752177.db2.gz XWTLLJFQMJOPKU-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000915198196 1120866205 /nfs/dbraw/zinc/86/62/05/1120866205.db2.gz DGFNCMQKVWOSSH-UHFFFAOYSA-N -1 3 364.026 4.052 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1Cl ZINC000029046601 1121028675 /nfs/dbraw/zinc/02/86/75/1121028675.db2.gz SDZJFEKOXATHCZ-UHFFFAOYSA-N -1 3 369.870 4.184 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(CCc2ccccc2)CC1 ZINC000031575580 1121085933 /nfs/dbraw/zinc/08/59/33/1121085933.db2.gz FMZSBWQMRUWCLU-UHFFFAOYSA-N -1 3 360.457 4.013 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(OC(F)F)c(Cl)c1 ZINC000032586096 1121111451 /nfs/dbraw/zinc/11/14/51/1121111451.db2.gz SEBNRDUOFKDBHA-UHFFFAOYSA-N -1 3 369.723 4.020 20 0 FIADHM COc1ccccc1CO[N-]C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC001626048785 1121123735 /nfs/dbraw/zinc/12/37/35/1121123735.db2.gz QODBYUXMWNYCJP-UHFFFAOYSA-N -1 3 373.409 4.211 20 0 FIADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000034262816 1121129899 /nfs/dbraw/zinc/12/98/99/1121129899.db2.gz UKZGBCNIGDZUEY-UHFFFAOYSA-N -1 3 350.292 4.269 20 0 FIADHM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000036657453 1121130781 /nfs/dbraw/zinc/13/07/81/1121130781.db2.gz MYZPEAJWCRABAD-LLVKDONJSA-N -1 3 369.371 4.141 20 0 FIADHM O=C([N-]c1nc(-c2ccc[nH]2)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000041784675 1121142098 /nfs/dbraw/zinc/14/20/98/1121142098.db2.gz LBZIZLKEZFWDDC-UHFFFAOYSA-N -1 3 354.366 4.185 20 0 FIADHM O=C(NCC1(c2ccccc2)CCCCC1)c1c[n-]c2ccccc2c1=O ZINC000042056480 1121149130 /nfs/dbraw/zinc/14/91/30/1121149130.db2.gz ZWFFMVZXECZTSF-UHFFFAOYSA-N -1 3 360.457 4.160 20 0 FIADHM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471943099 1121176319 /nfs/dbraw/zinc/17/63/19/1121176319.db2.gz UWCCQTMUBNBHFA-LJQANCHMSA-N -1 3 361.441 4.401 20 0 FIADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000472152791 1121184133 /nfs/dbraw/zinc/18/41/33/1121184133.db2.gz IDNMILBFXZITKF-FQEVSTJZSA-N -1 3 360.457 4.286 20 0 FIADHM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cc([O-])c2ccccc2c1 ZINC000472476249 1121243362 /nfs/dbraw/zinc/24/33/62/1121243362.db2.gz IPJMBXMBTCEEMP-SFHVURJKSA-N -1 3 351.377 4.328 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1C ZINC000032586497 1121336501 /nfs/dbraw/zinc/33/65/01/1121336501.db2.gz QOKVEPRFGNSHFT-UHFFFAOYSA-N -1 3 367.470 4.395 20 0 FIADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(Cl)cc1Cl ZINC000032683356 1121343001 /nfs/dbraw/zinc/34/30/01/1121343001.db2.gz LIUYJQPHJNMGQE-JTQLQIEISA-N -1 3 361.228 4.326 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C3Cc4ccccc4C3)nc(=O)c2c1C ZINC000763390728 1121570105 /nfs/dbraw/zinc/57/01/05/1121570105.db2.gz BTOBSXIRGBSHHZ-LLVKDONJSA-N -1 3 368.458 4.033 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)c(C)c1 ZINC000037369304 1121571887 /nfs/dbraw/zinc/57/18/87/1121571887.db2.gz IIIQXVHNJFHRSW-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000037369330 1121572412 /nfs/dbraw/zinc/57/24/12/1121572412.db2.gz SVISQLJNEXUPQC-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C(c1cc(F)cc(Nc2cc(F)c([O-])c(F)c2)c1)N1CCCCC1 ZINC001212215306 1121638889 /nfs/dbraw/zinc/63/88/89/1121638889.db2.gz HDHGRQKVIWDVMA-UHFFFAOYSA-N -1 3 350.340 4.179 20 0 FIADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1cc(F)ccc1F ZINC000065813159 1121708397 /nfs/dbraw/zinc/70/83/97/1121708397.db2.gz OMFSPNQFVQWVOP-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM CC(C)c1ccc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)c([O-])c1 ZINC000066053801 1121736299 /nfs/dbraw/zinc/73/62/99/1121736299.db2.gz HNZPABQSXDYBGR-UHFFFAOYSA-N -1 3 351.450 4.097 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(F)c(C(F)F)c3)c[n-]c12 ZINC001649104251 1121809835 /nfs/dbraw/zinc/80/98/35/1121809835.db2.gz AYYAMJSQWCGLJL-UHFFFAOYSA-N -1 3 364.298 4.305 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1c(F)cc(Br)cc1F ZINC000126251144 1121939803 /nfs/dbraw/zinc/93/98/03/1121939803.db2.gz CFTSZTASILISQO-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1SCCc2ccccc21 ZINC000126654383 1121973934 /nfs/dbraw/zinc/97/39/34/1121973934.db2.gz CCXCKPNSKGUCKB-OAHLLOKOSA-N -1 3 364.264 4.124 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c([O-])c1C ZINC000916952453 1121974887 /nfs/dbraw/zinc/97/48/87/1121974887.db2.gz GGBURNAIROCYND-UHFFFAOYSA-N -1 3 358.825 4.042 20 0 FIADHM CN(C(=O)C(C)(C)C)c1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000916960299 1121979323 /nfs/dbraw/zinc/97/93/23/1121979323.db2.gz GBSUXSCTMZPNHJ-UHFFFAOYSA-N -1 3 356.447 4.458 20 0 FIADHM Cn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(-c2ccccc2Cl)n1 ZINC000066621852 1122080550 /nfs/dbraw/zinc/08/05/50/1122080550.db2.gz TXIWJDLPXRXIOP-UHFFFAOYSA-N -1 3 362.216 4.352 20 0 FIADHM O=C(Nc1cccc(C(=O)Nc2cccc([O-])c2F)c1)c1ccc(F)cc1 ZINC000128202282 1122204082 /nfs/dbraw/zinc/20/40/82/1122204082.db2.gz GIQQPTWZIWEVSC-UHFFFAOYSA-N -1 3 368.339 4.175 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1c2c(sc1-n1cccc1)CSCC2 ZINC000128503651 1122322312 /nfs/dbraw/zinc/32/23/12/1122322312.db2.gz IUXAEWGMOQRMPT-UHFFFAOYSA-N -1 3 374.462 4.425 20 0 FIADHM CCc1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1cccc(Cl)c1 ZINC000128550577 1122339141 /nfs/dbraw/zinc/33/91/41/1122339141.db2.gz JDLWKHYJGLEFBN-UHFFFAOYSA-N -1 3 359.788 4.185 20 0 FIADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000128861130 1122438146 /nfs/dbraw/zinc/43/81/46/1122438146.db2.gz HKIHEJCKPDODBG-UHFFFAOYSA-N -1 3 365.780 4.032 20 0 FIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000128861130 1122438151 /nfs/dbraw/zinc/43/81/51/1122438151.db2.gz HKIHEJCKPDODBG-UHFFFAOYSA-N -1 3 365.780 4.032 20 0 FIADHM O=C(CCCc1ccccc1Br)Nc1cccc([O-])c1F ZINC000128923060 1122465542 /nfs/dbraw/zinc/46/55/42/1122465542.db2.gz SWWVYCCFYBTHSH-UHFFFAOYSA-N -1 3 352.203 4.255 20 0 FIADHM CCC[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000497916775 1122472317 /nfs/dbraw/zinc/47/23/17/1122472317.db2.gz YIXUVRQXFRHFNM-HNNXBMFYSA-N -1 3 360.479 4.171 20 0 FIADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)ccc2Cl)on1 ZINC000497937978 1122482038 /nfs/dbraw/zinc/48/20/38/1122482038.db2.gz OEHGNQOLPUFLRG-UHFFFAOYSA-N -1 3 356.875 4.019 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000129478121 1122611143 /nfs/dbraw/zinc/61/11/43/1122611143.db2.gz CXKXNRKHKZVPFK-HXUWFJFHSA-N -1 3 368.383 4.259 20 0 FIADHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000498297159 1122699287 /nfs/dbraw/zinc/69/92/87/1122699287.db2.gz FFVIKAHABYCKFX-HNNXBMFYSA-N -1 3 357.759 4.339 20 0 FIADHM CCc1nc(C(=O)[N-]c2c(F)cccc2F)nn1-c1ccccc1Cl ZINC000129814534 1122700772 /nfs/dbraw/zinc/70/07/72/1122700772.db2.gz FRVNAAVGZHFFNG-UHFFFAOYSA-N -1 3 362.767 4.014 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2nc(C(C)C)ncc2Cl)c1F ZINC000556198523 1122723082 /nfs/dbraw/zinc/72/30/82/1122723082.db2.gz UNCCMSAUNBZYDQ-UHFFFAOYSA-N -1 3 355.772 4.183 20 0 FIADHM COc1cc(C(=O)[N-]c2cc(F)c(F)cc2F)sc1Br ZINC000130046482 1122732400 /nfs/dbraw/zinc/73/24/00/1122732400.db2.gz IMKVGKAJNMWYMT-UHFFFAOYSA-N -1 3 366.158 4.189 20 0 FIADHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc(F)cc2cccnc21 ZINC000130057862 1122734613 /nfs/dbraw/zinc/73/46/13/1122734613.db2.gz WLSUFQPDTZZGOF-UHFFFAOYSA-N -1 3 364.405 4.069 20 0 FIADHM CCOCCOCc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000556433571 1122888367 /nfs/dbraw/zinc/88/83/67/1122888367.db2.gz WZJCDCKBWMRKQI-UHFFFAOYSA-N -1 3 363.841 4.159 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)C(C)C)n[n-]2)o1 ZINC000919328947 1122952715 /nfs/dbraw/zinc/95/27/15/1122952715.db2.gz JDAOVXCCAKKUEX-LJQANCHMSA-N -1 3 352.390 4.042 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)c3ccccc3)C(C)C)[n-]n2)o1 ZINC000919328947 1122952717 /nfs/dbraw/zinc/95/27/17/1122952717.db2.gz JDAOVXCCAKKUEX-LJQANCHMSA-N -1 3 352.390 4.042 20 0 FIADHM CC(C)c1ncc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)s1 ZINC000132961518 1123391913 /nfs/dbraw/zinc/39/19/13/1123391913.db2.gz JEEGNLUFKFZCFV-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1c(F)cccc1F ZINC000075463643 1123492540 /nfs/dbraw/zinc/49/25/40/1123492540.db2.gz BTTYVAQHWUBBJA-UHFFFAOYSA-N -1 3 357.360 4.192 20 0 FIADHM O=C([N-][C@@H]1CCSc2c(F)cccc21)C(F)(F)c1ccc(F)cc1 ZINC000920842706 1123527870 /nfs/dbraw/zinc/52/78/70/1123527870.db2.gz LYVSFAAJNVOEHF-CQSZACIVSA-N -1 3 355.356 4.410 20 0 FIADHM Cc1cc(C[S@](=O)c2ccc([O-])cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000133995230 1123581809 /nfs/dbraw/zinc/58/18/09/1123581809.db2.gz UQBHBALYAKTZLP-XMMPIXPASA-N -1 3 358.850 4.119 20 0 FIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1csc(N2CCCCC2)n1 ZINC001127557197 1123711995 /nfs/dbraw/zinc/71/19/95/1123711995.db2.gz KDXUPRWXYAFACS-UHFFFAOYSA-N -1 3 357.813 4.317 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000135603526 1123776794 /nfs/dbraw/zinc/77/67/94/1123776794.db2.gz JHESMBLYAXKEEX-UHFFFAOYSA-N -1 3 373.239 4.033 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3scnc3C(C)(C)C)s2)cc1 ZINC000136388255 1123887548 /nfs/dbraw/zinc/88/75/48/1123887548.db2.gz MIFZIUUWDYJTLB-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000080147912 1123954003 /nfs/dbraw/zinc/95/40/03/1123954003.db2.gz ATGIOMRMHQTVSX-IBGZPJMESA-N -1 3 354.425 4.283 20 0 FIADHM COc1cccc(F)c1[C@@H](C)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000179912683 1124139901 /nfs/dbraw/zinc/13/99/01/1124139901.db2.gz UUTBLTYEAXOVPO-SNVBAGLBSA-N -1 3 351.805 4.247 20 0 FIADHM C[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(-c2ccncc2)cc1 ZINC001168656599 1124528356 /nfs/dbraw/zinc/52/83/56/1124528356.db2.gz FVPVGANUZMORCI-HNNXBMFYSA-N -1 3 372.428 4.355 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2c1ccn2C(F)F ZINC000617492435 1124702080 /nfs/dbraw/zinc/70/20/80/1124702080.db2.gz WCEXZGGNBPJOFA-UHFFFAOYSA-N -1 3 374.391 4.390 20 0 FIADHM Cc1cccc2[nH]cc(CC(=O)Nc3cc(Br)ccc3[O-])c21 ZINC000085590728 1124732380 /nfs/dbraw/zinc/73/23/80/1124732380.db2.gz RENSHBIEITWKGX-UHFFFAOYSA-N -1 3 359.223 4.126 20 0 FIADHM S=c1[n-]nc(Cc2cccs2)n1CN1CCC[C@@H]1Cc1ccccc1 ZINC000069373042 1124832178 /nfs/dbraw/zinc/83/21/78/1124832178.db2.gz LVRTUXSHGQJQBG-MRXNPFEDSA-N -1 3 370.547 4.258 20 0 FIADHM CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1F ZINC000542917816 1124845937 /nfs/dbraw/zinc/84/59/37/1124845937.db2.gz QDMICLJHQZUURA-IBGZPJMESA-N -1 3 372.827 4.448 20 0 FIADHM CC(C)(C)OCc1cc(C(=O)[N-]c2csc(-c3ccccc3)n2)no1 ZINC000672334596 1125012477 /nfs/dbraw/zinc/01/24/77/1125012477.db2.gz GJMPVXSHGNHYGF-UHFFFAOYSA-N -1 3 357.435 4.366 20 0 FIADHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1ccccc1Cl ZINC000056127989 1125180065 /nfs/dbraw/zinc/18/00/65/1125180065.db2.gz HUOMGFNOTRJHGE-CYBMUJFWSA-N -1 3 363.788 4.312 20 0 FIADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000465985667 1125189561 /nfs/dbraw/zinc/18/95/61/1125189561.db2.gz VFYVKYYABDJLGS-CXAGYDPISA-N -1 3 360.429 4.370 20 0 FIADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000621712289 1125260925 /nfs/dbraw/zinc/26/09/25/1125260925.db2.gz ZYCKWHRZJFBJEO-MRXNPFEDSA-N -1 3 351.324 4.094 20 0 FIADHM O=C([N-]c1csc(-c2ccncc2)n1)c1cc(-c2ccccc2F)on1 ZINC000670222128 1125344097 /nfs/dbraw/zinc/34/40/97/1125344097.db2.gz GAQZFKQJFHDCMP-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM O=S(=O)([N-]c1ccc(F)cc1Br)c1ccccc1Cl ZINC000020473791 211281740 /nfs/dbraw/zinc/28/17/40/211281740.db2.gz GWWGZALYBLKVGV-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])C(=O)c1ccccc1 ZINC000602092704 567932634 /nfs/dbraw/zinc/93/26/34/567932634.db2.gz GEDSZVCDIJMEQJ-NSHDSACASA-N -1 3 362.223 4.002 20 0 FIADHM CCCNc1ccc(Cl)cc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000186870846 567994734 /nfs/dbraw/zinc/99/47/34/567994734.db2.gz GSXLDWJRWMMAMD-UHFFFAOYSA-N -1 3 364.829 4.137 20 0 FIADHM CCOCCO[C@H](C)C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000604266574 568241290 /nfs/dbraw/zinc/24/12/90/568241290.db2.gz MDFMTTROKXKIRY-CQSZACIVSA-N -1 3 360.454 4.019 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cccc(OC(C)(C)C)n2)c(F)c1F ZINC000637069638 568339632 /nfs/dbraw/zinc/33/96/32/568339632.db2.gz GAZXJIHXSDSQJF-UHFFFAOYSA-N -1 3 366.339 4.131 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)CCc2cnn(-c3ccccc3)c2)c1[O-] ZINC000604902096 568385109 /nfs/dbraw/zinc/38/51/09/568385109.db2.gz FRYGEXOFAZOQKO-UHFFFAOYSA-N -1 3 355.825 4.111 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1[O-] ZINC000604902058 568385133 /nfs/dbraw/zinc/38/51/33/568385133.db2.gz ANHGKWQSRXJUKQ-UHFFFAOYSA-N -1 3 368.216 4.421 20 0 FIADHM O=C(NCCc1ccc(F)c(F)c1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000527304235 568482435 /nfs/dbraw/zinc/48/24/35/568482435.db2.gz GXIWDHDITGHEPZ-UHFFFAOYSA-N -1 3 367.808 4.042 20 0 FIADHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1cccc(Cl)c1Cl ZINC000040721691 571092837 /nfs/dbraw/zinc/09/28/37/571092837.db2.gz QRRUZDUMDGWHPN-MRXNPFEDSA-N -1 3 363.244 4.260 20 0 FIADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCCC[C@@H]1c1cccnc1 ZINC001165046826 721963314 /nfs/dbraw/zinc/96/33/14/721963314.db2.gz PJXJRQPEKRZNEM-LLVKDONJSA-N -1 3 356.829 4.090 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC2(CCCC2=O)CC1 ZINC000619329556 1125571340 /nfs/dbraw/zinc/57/13/40/1125571340.db2.gz OQNHRYWQNCWEOD-UHFFFAOYSA-N -1 3 365.429 4.160 20 0 FIADHM CC(C)C(=O)Nc1cc2ccccc2cc1C([O-])=C(C#N)c1ccccn1 ZINC000182711844 1125602029 /nfs/dbraw/zinc/60/20/29/1125602029.db2.gz ZVESEZYRYHGUTO-GOSISDBHSA-N -1 3 357.413 4.319 20 0 FIADHM COc1ccc(N[C@@H](C)c2cc(C)c(C)cc2C)cc1[N-]S(C)(=O)=O ZINC000182730417 1125608088 /nfs/dbraw/zinc/60/80/88/1125608088.db2.gz MZKHPJUUTUFBJY-HNNXBMFYSA-N -1 3 362.495 4.165 20 0 FIADHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000152989119 1125709126 /nfs/dbraw/zinc/70/91/26/1125709126.db2.gz UVJDHAONMKHHKZ-UHFFFAOYSA-N -1 3 355.331 4.144 20 0 FIADHM CC(C)(C)c1ncc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)s1 ZINC000619896666 1125727533 /nfs/dbraw/zinc/72/75/33/1125727533.db2.gz LDCYNMUDFLFESP-UHFFFAOYSA-N -1 3 358.492 4.135 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000683171053 1079793834 /nfs/dbraw/zinc/79/38/34/1079793834.db2.gz FWRWJAQNTAOTPE-INIZCTEOSA-N -1 3 354.233 4.308 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OCC(C)C)cc2)cc1 ZINC000683172273 1079806780 /nfs/dbraw/zinc/80/67/80/1079806780.db2.gz WIVBICIGXDFZFI-FQEVSTJZSA-N -1 3 357.450 4.036 20 0 FIADHM C[C@@H]1C[C@@H]1c1noc(CC2CCN(Cc3cccc([O-])c3Cl)CC2)n1 ZINC000651954107 1079950823 /nfs/dbraw/zinc/95/08/23/1079950823.db2.gz FJYCBEBLOYNFEI-DOMZBBRYSA-N -1 3 361.873 4.007 20 0 FIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1cccc2ccccc21 ZINC000180285675 1080475564 /nfs/dbraw/zinc/47/55/64/1080475564.db2.gz IRUZXBOVVNMYGX-UHFFFAOYSA-N -1 3 353.230 4.342 20 0 FIADHM CC(=O)c1ccc(C(=O)NC(Cc2ccccc2)Cc2ccccc2)cc1[O-] ZINC001625830150 1080497416 /nfs/dbraw/zinc/49/74/16/1080497416.db2.gz APLPEULFSNUVKL-UHFFFAOYSA-N -1 3 373.452 4.179 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)[N-]c3nnc(C(F)(F)F)s3)s2)o1 ZINC000180687864 1080537182 /nfs/dbraw/zinc/53/71/82/1080537182.db2.gz FMERBRFNLJERBU-UHFFFAOYSA-N -1 3 359.354 4.439 20 0 FIADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000180742061 1080543693 /nfs/dbraw/zinc/54/36/93/1080543693.db2.gz FGEVJOHWPPFENS-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(C)c1 ZINC000032585514 1080593717 /nfs/dbraw/zinc/59/37/17/1080593717.db2.gz IKIUYGUSYIRDQF-UHFFFAOYSA-N -1 3 361.797 4.359 20 0 FIADHM CCCCn1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1CC ZINC000430310452 1080712306 /nfs/dbraw/zinc/71/23/06/1080712306.db2.gz ZYABBZXHLPWBMY-UHFFFAOYSA-N -1 3 355.360 4.222 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1c(F)cccc1Oc1ccccc1 ZINC000471282555 1080826477 /nfs/dbraw/zinc/82/64/77/1080826477.db2.gz MRZRNMRAPFHIPV-UHFFFAOYSA-N -1 3 353.353 4.040 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3[C@H](C)[C@H]3c3ccccc3)c2)n1 ZINC000430399984 1080892016 /nfs/dbraw/zinc/89/20/16/1080892016.db2.gz MNNPUWQQQSFZBJ-PUCZYUMASA-N -1 3 373.456 4.400 20 0 FIADHM Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3n2CCCC3)c([O-])c1C ZINC001167238983 1080893401 /nfs/dbraw/zinc/89/34/01/1080893401.db2.gz RIPHRCYUIDQBTJ-UHFFFAOYSA-N -1 3 361.445 4.461 20 0 FIADHM CC(C)[C@H](CNC(=O)c1cc2sccc2c([O-])c1)Nc1ccccc1 ZINC001648801064 1080934939 /nfs/dbraw/zinc/93/49/39/1080934939.db2.gz FNMVKHHEMZRNBR-KRWDZBQOSA-N -1 3 354.475 4.473 20 0 FIADHM CCc1cc(=O)[n-]c(CN([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)n1 ZINC001167276399 1080940626 /nfs/dbraw/zinc/94/06/26/1080940626.db2.gz LOAYACOZZYXTCT-GFCCVEGCSA-N -1 3 365.399 4.489 20 0 FIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000063442288 1081058289 /nfs/dbraw/zinc/05/82/89/1081058289.db2.gz OUTMOTAANARWGJ-UHFFFAOYSA-N -1 3 363.479 4.026 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)s2)c1 ZINC000109814142 1081271113 /nfs/dbraw/zinc/27/11/13/1081271113.db2.gz JVTVPILSBKLOJU-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM Cc1ccccc1COc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000160311476 1081305350 /nfs/dbraw/zinc/30/53/50/1081305350.db2.gz DIKFKLZMYWSBAW-IBGZPJMESA-N -1 3 356.422 4.154 20 0 FIADHM Cc1ccccc1COc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000160311476 1081305356 /nfs/dbraw/zinc/30/53/56/1081305356.db2.gz DIKFKLZMYWSBAW-IBGZPJMESA-N -1 3 356.422 4.154 20 0 FIADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC001648907245 1081362542 /nfs/dbraw/zinc/36/25/42/1081362542.db2.gz SKSYJQMWTVMYRV-NRFANRHFSA-N -1 3 367.489 4.260 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000580035015 1081503683 /nfs/dbraw/zinc/50/36/83/1081503683.db2.gz DTXWWBQSVABKRS-YPMHNXCESA-N -1 3 368.264 4.012 20 0 FIADHM C[C@@H](Oc1ccccc1NC([O-])=NO[C@@H]1CCCCO1)c1ccccc1 ZINC000160394002 1081715189 /nfs/dbraw/zinc/71/51/89/1081715189.db2.gz KMTPEIIPDVFUKJ-DNVCBOLYSA-N -1 3 356.422 4.406 20 0 FIADHM C[C@@H](Oc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1 ZINC000160394002 1081715193 /nfs/dbraw/zinc/71/51/93/1081715193.db2.gz KMTPEIIPDVFUKJ-DNVCBOLYSA-N -1 3 356.422 4.406 20 0 FIADHM Cc1ccc(C[C@@H]2CCCN(C(=O)NCc3ccc([O-])c(F)c3)C2)cc1 ZINC000580247799 1081778147 /nfs/dbraw/zinc/77/81/47/1081778147.db2.gz TUFGRCIADHTKSN-SFHVURJKSA-N -1 3 356.441 4.004 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1C(C)C ZINC000683926386 1081927497 /nfs/dbraw/zinc/92/74/97/1081927497.db2.gz SXTBFIMVNHBOCD-UHFFFAOYSA-N -1 3 363.479 4.250 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000580784327 1082136999 /nfs/dbraw/zinc/13/69/99/1082136999.db2.gz UPNLPUFAFZNZDP-ADYSOMBNSA-N -1 3 363.461 4.158 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2csc(Cc3ccccc3)n2)s1 ZINC000048136639 1082176238 /nfs/dbraw/zinc/17/62/38/1082176238.db2.gz USOZGPCYMORGJF-UHFFFAOYSA-N -1 3 358.492 4.036 20 0 FIADHM C[C@H]1CCCC[C@]1(C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001625868133 1082200382 /nfs/dbraw/zinc/20/03/82/1082200382.db2.gz FODSIMZZWBETKC-GTNSWQLSSA-N -1 3 353.488 4.189 20 0 FIADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001625868132 1082201661 /nfs/dbraw/zinc/20/16/61/1082201661.db2.gz FODSIMZZWBETKC-DIFFPNOSSA-N -1 3 353.488 4.189 20 0 FIADHM CC(C)(C)SCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000160737166 1082282411 /nfs/dbraw/zinc/28/24/11/1082282411.db2.gz IRDJLVAWRHRVOG-UHFFFAOYSA-N -1 3 360.317 4.083 20 0 FIADHM Cc1ccc(C)c(OC2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)c1 ZINC000581136791 1082338520 /nfs/dbraw/zinc/33/85/20/1082338520.db2.gz DIUGWHDTLCLKGB-FQEVSTJZSA-N -1 3 357.425 4.112 20 0 FIADHM CCCCc1cnc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)nc1 ZINC000891370320 1082465325 /nfs/dbraw/zinc/46/53/25/1082465325.db2.gz ZWUBIBDGFQJJBT-UHFFFAOYSA-N -1 3 364.780 4.200 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CSCc3ccccc32)c1Br ZINC000656492262 1082480271 /nfs/dbraw/zinc/48/02/71/1082480271.db2.gz GLMZXHBVPQMCSO-CQSZACIVSA-N -1 3 350.281 4.232 20 0 FIADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000313204328 1082505149 /nfs/dbraw/zinc/50/51/49/1082505149.db2.gz FHLGOVAYWRCVFJ-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1ncc(Cl)cc1Cl ZINC001125494077 1082518288 /nfs/dbraw/zinc/51/82/88/1082518288.db2.gz JPXWIIQCDSXYDV-UHFFFAOYSA-N -1 3 368.611 4.079 20 0 FIADHM Cc1c2ccccc2nc(CN2CCC(c3ccco3)CC2)c1C(=O)[O-] ZINC000656758489 1082752181 /nfs/dbraw/zinc/75/21/81/1082752181.db2.gz ZYPCEZHJGCNBJH-UHFFFAOYSA-N -1 3 350.418 4.214 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2OCC(F)(F)F)[C@H]2CCCC[C@H]12 ZINC000656763960 1082755987 /nfs/dbraw/zinc/75/59/87/1082755987.db2.gz DHZOSNMGEICTJT-OAGGEKHMSA-N -1 3 371.399 4.093 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656768638 1082759593 /nfs/dbraw/zinc/75/95/93/1082759593.db2.gz LXXUSOUFSGBWIL-JLZZUVOBSA-N -1 3 372.292 4.400 20 0 FIADHM CC[C@H](C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nc2ccccc2[nH]1 ZINC000581755298 1082869587 /nfs/dbraw/zinc/86/95/87/1082869587.db2.gz FRVLFFTUPGWGCT-APPDUMDISA-N -1 3 357.841 4.439 20 0 FIADHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc([O-])ccc1Cl ZINC000581756980 1082873419 /nfs/dbraw/zinc/87/34/19/1082873419.db2.gz LGZHSSYRRRGEBP-UHFFFAOYSA-N -1 3 362.216 4.196 20 0 FIADHM Cc1nc(-c2ccc(NCc3cc(C4CC4)ccc3F)nc2)[n-]c(=O)c1C ZINC000581767126 1082886382 /nfs/dbraw/zinc/88/63/82/1082886382.db2.gz NELCPHVCTROBJW-UHFFFAOYSA-N -1 3 364.424 4.490 20 0 FIADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc2ccccc2c1 ZINC000127297285 1082902728 /nfs/dbraw/zinc/90/27/28/1082902728.db2.gz WASOHDRRJUMXLD-UHFFFAOYSA-N -1 3 370.449 4.380 20 0 FIADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc(F)cc1Cl ZINC000588926400 1083069263 /nfs/dbraw/zinc/06/92/63/1083069263.db2.gz HORUQZIINMRYQC-UHFFFAOYSA-N -1 3 350.180 4.197 20 0 FIADHM CCc1nc(C(=O)[N-]c2nnc([C@H](CC)c3ccccc3)s2)c(C)o1 ZINC000510675632 1083231346 /nfs/dbraw/zinc/23/13/46/1083231346.db2.gz RAXNKHCJYTZAHZ-CYBMUJFWSA-N -1 3 356.451 4.191 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc(Br)cc2cccnc21 ZINC000535659167 1083313890 /nfs/dbraw/zinc/31/38/90/1083313890.db2.gz ZKISNHSKPRUGIM-UHFFFAOYSA-N -1 3 361.170 4.094 20 0 FIADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000431147421 1083353612 /nfs/dbraw/zinc/35/36/12/1083353612.db2.gz UONAMEGLHRBHDX-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM CC(=O)N(C)c1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000586756243 1083490542 /nfs/dbraw/zinc/49/05/42/1083490542.db2.gz ANNCUCJHBTYOEG-UHFFFAOYSA-N -1 3 374.440 4.218 20 0 FIADHM O=C(Nc1ccccc1C(=O)Nc1cc(F)ccc1[O-])c1ccsc1 ZINC000179651019 1083587565 /nfs/dbraw/zinc/58/75/65/1083587565.db2.gz HFGPTLHUAPPGEJ-UHFFFAOYSA-N -1 3 356.378 4.097 20 0 FIADHM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255855731 1083690758 /nfs/dbraw/zinc/69/07/58/1083690758.db2.gz PWBKIOGKHZQNBZ-KTKRTIGZSA-N -1 3 357.353 4.148 20 0 FIADHM CCOc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)cc(Cl)c1OC ZINC000277072828 1083735320 /nfs/dbraw/zinc/73/53/20/1083735320.db2.gz VOMDFCHBLXTIDX-CQSZACIVSA-N -1 3 369.870 4.114 20 0 FIADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCCCCCC(=O)[O-] ZINC000277104813 1083740394 /nfs/dbraw/zinc/74/03/94/1083740394.db2.gz ZJFMGFUEQOLMTJ-UHFFFAOYSA-N -1 3 363.889 4.384 20 0 FIADHM COCc1ccsc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000181648892 1084000040 /nfs/dbraw/zinc/00/00/40/1084000040.db2.gz DXYLSZFTBWMEPP-UHFFFAOYSA-N -1 3 363.489 4.150 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1 ZINC000612721433 1084009148 /nfs/dbraw/zinc/00/91/48/1084009148.db2.gz YSCMAWLTZPPKRU-OAHLLOKOSA-N -1 3 373.449 4.131 20 0 FIADHM CO[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000612755111 1084047022 /nfs/dbraw/zinc/04/70/22/1084047022.db2.gz AFVPLCBTSZVXHK-OCCSQVGLSA-N -1 3 368.458 4.423 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000472035552 1084131528 /nfs/dbraw/zinc/13/15/28/1084131528.db2.gz RVLBSESIPPCJEQ-GOSISDBHSA-N -1 3 359.857 4.171 20 0 FIADHM [O-]c1cc(F)cc(CNc2ccc(-n3nccc3C(F)(F)F)cc2)c1 ZINC000472037906 1084136341 /nfs/dbraw/zinc/13/63/41/1084136341.db2.gz MGNNSQMSWPVWQT-UHFFFAOYSA-N -1 3 351.303 4.348 20 0 FIADHM CCC(CC)c1n[n-]c(=NC(=O)c2ccc(CN(CC)C3CC3)cc2)s1 ZINC000511391093 1084166883 /nfs/dbraw/zinc/16/68/83/1084166883.db2.gz MRZZRBFHMAQYJG-UHFFFAOYSA-N -1 3 372.538 4.100 20 0 FIADHM CCn1cc([C@H](C)[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)cn1 ZINC000843601389 1084202919 /nfs/dbraw/zinc/20/29/19/1084202919.db2.gz HWKHSEOWOHPBBA-VIFPVBQESA-N -1 3 362.207 4.179 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)cc1 ZINC000613177839 1084426813 /nfs/dbraw/zinc/42/68/13/1084426813.db2.gz PQYLPECCQRZLAH-UHFFFAOYSA-N -1 3 366.442 4.141 20 0 FIADHM CCOc1cc(CNc2cccc(CN3CCCC3=O)c2)cc(Cl)c1[O-] ZINC000613286760 1084551722 /nfs/dbraw/zinc/55/17/22/1084551722.db2.gz ASHXXFUSCXQCGN-UHFFFAOYSA-N -1 3 374.868 4.179 20 0 FIADHM COc1cc(/C=C(\C(=O)Nc2ccccc2[O-])c2ccccc2)ccc1O ZINC000588499715 1084604947 /nfs/dbraw/zinc/60/49/47/1084604947.db2.gz GBCYTGODQPQHKU-LGMDPLHJSA-N -1 3 361.397 4.286 20 0 FIADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000563283021 1084766240 /nfs/dbraw/zinc/76/62/40/1084766240.db2.gz LYZLGQVQJDKCBU-ZJUUUORDSA-N -1 3 374.384 4.394 20 0 FIADHM CCC(C)(C)OCc1ccccc1NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613478164 1084789581 /nfs/dbraw/zinc/78/95/81/1084789581.db2.gz BDSUEIAGBNVCHK-UHFFFAOYSA-N -1 3 353.422 4.226 20 0 FIADHM CCCc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)c1 ZINC001211541598 1084808524 /nfs/dbraw/zinc/80/85/24/1084808524.db2.gz YLUXTTLWEFZMOC-UHFFFAOYSA-N -1 3 357.825 4.302 20 0 FIADHM Cc1cc(C)cc(C2=CCN(CCOc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000582306709 1084851583 /nfs/dbraw/zinc/85/15/83/1084851583.db2.gz AQMWGSKRFHLXSW-UHFFFAOYSA-N -1 3 351.446 4.170 20 0 FIADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1c[n-]c2ccccc2c1=O ZINC000175495898 1084948733 /nfs/dbraw/zinc/94/87/33/1084948733.db2.gz PKGITTDXFZNREE-UHFFFAOYSA-N -1 3 360.335 4.275 20 0 FIADHM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684877550 1085021039 /nfs/dbraw/zinc/02/10/39/1085021039.db2.gz QNPJTPVHUKGXRU-UHFFFAOYSA-N -1 3 371.265 4.477 20 0 FIADHM COc1ccc2oc(C(=O)[N-]c3nnc(-c4ccco4)s3)c(C)c2c1 ZINC000072989622 1085029794 /nfs/dbraw/zinc/02/97/94/1085029794.db2.gz RUFLHZKMJSGMPF-UHFFFAOYSA-N -1 3 355.375 4.114 20 0 FIADHM CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](C)c1cc2ccccc2o1 ZINC000563373490 1085066208 /nfs/dbraw/zinc/06/62/08/1085066208.db2.gz HNKYZKYOEAKLFO-GFCCVEGCSA-N -1 3 351.406 4.029 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc([C@H](C)C(F)(F)F)cc2)n1 ZINC000660749948 1085247366 /nfs/dbraw/zinc/24/73/66/1085247366.db2.gz UUIDXDQYUNIQTQ-LBPRGKRZSA-N -1 3 353.388 4.181 20 0 FIADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2scnc2C2CC2)s1 ZINC000548745630 1085262843 /nfs/dbraw/zinc/26/28/43/1085262843.db2.gz GUXZYUQFTCRFCZ-UHFFFAOYSA-N -1 3 360.439 4.239 20 0 FIADHM Cc1cc(F)cc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000432211226 1085279058 /nfs/dbraw/zinc/27/90/58/1085279058.db2.gz VNMXOFQADLNBIN-UHFFFAOYSA-N -1 3 352.369 4.249 20 0 FIADHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000057752559 1085435821 /nfs/dbraw/zinc/43/58/21/1085435821.db2.gz JJNLIRWWAHSVAU-JURJYWISSA-N -1 3 359.731 4.097 20 0 FIADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000326880679 1085464003 /nfs/dbraw/zinc/46/40/03/1085464003.db2.gz ZZAIHEDEPZMUDD-CQSZACIVSA-N -1 3 362.857 4.318 20 0 FIADHM [O-]c1cccc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1Br ZINC000651900247 1085617971 /nfs/dbraw/zinc/61/79/71/1085617971.db2.gz KAVVJEALVVWVIE-UHFFFAOYSA-N -1 3 368.168 4.021 20 0 FIADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)c1 ZINC000473131017 1085724361 /nfs/dbraw/zinc/72/43/61/1085724361.db2.gz FNGLRQHVMHXBFO-IBGZPJMESA-N -1 3 355.388 4.398 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(Br)c1 ZINC000048653219 1085913378 /nfs/dbraw/zinc/91/33/78/1085913378.db2.gz ZNRHJRDIKYPXMQ-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000652510679 1086138804 /nfs/dbraw/zinc/13/88/04/1086138804.db2.gz HUJOGIKLHIQHGJ-WDSOQIARSA-N -1 3 355.434 4.035 20 0 FIADHM O=C(NCC1(c2ccccc2)CCCCCC1)c1cc(F)cc2n[n-]nc21 ZINC001143522341 1086200884 /nfs/dbraw/zinc/20/08/84/1086200884.db2.gz DHBTXOJRNRXKBR-UHFFFAOYSA-N -1 3 366.440 4.119 20 0 FIADHM CC(=CC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000052147150 1086344051 /nfs/dbraw/zinc/34/40/51/1086344051.db2.gz VACDBUBQEZAHOL-OCHBPSSRSA-N -1 3 368.458 4.309 20 0 FIADHM CCN(Cc1nc2cc(Cl)ccc2n1Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000662217515 1086345769 /nfs/dbraw/zinc/34/57/69/1086345769.db2.gz VDYWFOQCAJZITQ-CQSZACIVSA-N -1 3 371.868 4.033 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000028328454 1086354716 /nfs/dbraw/zinc/35/47/16/1086354716.db2.gz BGICTFCYJPSEGK-SECBINFHSA-N -1 3 365.323 4.023 20 0 FIADHM O=C([N-]c1csnc1-c1ccccc1)c1csc([C@@H]2CCCO2)n1 ZINC001126306151 1086691785 /nfs/dbraw/zinc/69/17/85/1086691785.db2.gz MQDTYCSFLDUAHG-AWEZNQCLSA-N -1 3 357.460 4.370 20 0 FIADHM Cc1noc(C)c1[C@@H](C)NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000663598519 1086695495 /nfs/dbraw/zinc/69/54/95/1086695495.db2.gz SYDZMPOJLCJAFX-SECBINFHSA-N -1 3 370.434 4.113 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c(C)c1 ZINC000583597118 1086839255 /nfs/dbraw/zinc/83/92/55/1086839255.db2.gz TVCZOUONIICHDN-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM CN(CCc1ccc(Br)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000583636644 1086885918 /nfs/dbraw/zinc/88/59/18/1086885918.db2.gz FOMIAQPHUBQXDB-UHFFFAOYSA-N -1 3 368.658 4.123 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)ccc1N ZINC001213394350 1086965916 /nfs/dbraw/zinc/96/59/16/1086965916.db2.gz KMJBFISTTNSUJN-UHFFFAOYSA-N -1 3 372.412 4.218 20 0 FIADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)n1C(C)C ZINC000151532620 1087136194 /nfs/dbraw/zinc/13/61/94/1087136194.db2.gz SZHWDNKQSQRAMC-UHFFFAOYSA-N -1 3 365.271 4.084 20 0 FIADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000650794201 1087168350 /nfs/dbraw/zinc/16/83/50/1087168350.db2.gz WGXRBMUOMDHYBZ-IAQYHMDHSA-N -1 3 353.340 4.403 20 0 FIADHM O=C([O-])c1cccc2c1CCN(CCn1ccc3cc(Cl)ccc31)C2 ZINC000584243528 1087231104 /nfs/dbraw/zinc/23/11/04/1087231104.db2.gz GMSOUKGWZSCKCZ-UHFFFAOYSA-N -1 3 354.837 4.051 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(C)s3)c2)n1 ZINC000584263197 1087241496 /nfs/dbraw/zinc/24/14/96/1087241496.db2.gz KURUGVYOZVZPQO-UHFFFAOYSA-N -1 3 367.474 4.353 20 0 FIADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(-c2ccncc2)cc1 ZINC000080702258 1087272889 /nfs/dbraw/zinc/27/28/89/1087272889.db2.gz QQGJDPLZKGUWJH-CQSZACIVSA-N -1 3 365.408 4.154 20 0 FIADHM CCc1cccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1[O-] ZINC000081751991 1087330597 /nfs/dbraw/zinc/33/05/97/1087330597.db2.gz JRRNTMLWLFOHES-UHFFFAOYSA-N -1 3 363.461 4.050 20 0 FIADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(CCC2CCOCC2)no1 ZINC000584425533 1087382522 /nfs/dbraw/zinc/38/25/22/1087382522.db2.gz BAQOYXKNYBZHJO-UHFFFAOYSA-N -1 3 364.445 4.392 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](CC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000329823964 1087438526 /nfs/dbraw/zinc/43/85/26/1087438526.db2.gz QNGPBGQLATZDHP-HNNXBMFYSA-N -1 3 354.454 4.058 20 0 FIADHM CC(C)c1nsc([N-][C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000092621000 1087447300 /nfs/dbraw/zinc/44/73/00/1087447300.db2.gz XTUBWDRNZYYNAG-MRXNPFEDSA-N -1 3 352.463 4.453 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CCCc4ccccc43)cc2)n1 ZINC000170990727 1087461445 /nfs/dbraw/zinc/46/14/45/1087461445.db2.gz SKZABTKMBVNCHY-SFHVURJKSA-N -1 3 373.456 4.194 20 0 FIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1 ZINC000107336589 1087466265 /nfs/dbraw/zinc/46/62/65/1087466265.db2.gz KGRKFVBMFVBUQW-UHFFFAOYSA-N -1 3 363.479 4.192 20 0 FIADHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2)n1 ZINC000149956277 1087505041 /nfs/dbraw/zinc/50/50/41/1087505041.db2.gz OMKMDIMSWNLOSK-UHFFFAOYSA-N -1 3 355.825 4.160 20 0 FIADHM C[C@H](S[C@H]1CCO[C@H]1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000163521546 1087750974 /nfs/dbraw/zinc/75/09/74/1087750974.db2.gz KHJWRMCRAYCIGW-KWBADKCTSA-N -1 3 362.476 4.216 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c(C)c1 ZINC000176207642 1087893805 /nfs/dbraw/zinc/89/38/05/1087893805.db2.gz USAIDCKHWMOGLA-UHFFFAOYSA-N -1 3 369.446 4.032 20 0 FIADHM COc1ccc2nc([N-]C(=O)c3cc(-c4ccccc4)no3)sc2c1 ZINC000504956849 1088004104 /nfs/dbraw/zinc/00/41/04/1088004104.db2.gz XJJJVJLQNVFXNJ-UHFFFAOYSA-N -1 3 351.387 4.212 20 0 FIADHM O=C(NCc1ccc(Oc2ccccc2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000504959815 1088004506 /nfs/dbraw/zinc/00/45/06/1088004506.db2.gz PWOOGCDGBHUTOH-UHFFFAOYSA-N -1 3 370.408 4.250 20 0 FIADHM Cc1cc(F)c(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000424619649 1088102174 /nfs/dbraw/zinc/10/21/74/1088102174.db2.gz NVVMTCQWNJKRON-CYBMUJFWSA-N -1 3 353.796 4.275 20 0 FIADHM CCOC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000177409643 1088303813 /nfs/dbraw/zinc/30/38/13/1088303813.db2.gz OTRWWYXTZYWREO-MRXNPFEDSA-N -1 3 355.434 4.073 20 0 FIADHM Cc1cc(C)c(/C=C\C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1C ZINC000782862707 1088352417 /nfs/dbraw/zinc/35/24/17/1088352417.db2.gz QMMINDUTNCAXDK-HJWRWDBZSA-N -1 3 364.401 4.124 20 0 FIADHM O=c1nc([C@H]2CCCO2)[n-]c2sc3c(c21)CC[C@H](c1ccccc1)C3 ZINC000178983929 1088724146 /nfs/dbraw/zinc/72/41/46/1088724146.db2.gz MMNPVNPCNJNHJE-DZGCQCFKSA-N -1 3 352.459 4.109 20 0 FIADHM Cc1ccc([C@H]2C[C@H](C)N(Cn3[n-]c(-c4ccccn4)nc3=S)C2)cc1 ZINC000782954311 1088736185 /nfs/dbraw/zinc/73/61/85/1088736185.db2.gz MUQWHTRTXUEKNX-RDJZCZTQSA-N -1 3 365.506 4.147 20 0 FIADHM [O-]C(=Cc1nc(-c2ncccc2C(F)(F)F)no1)c1ccccc1Cl ZINC001211646906 1088748481 /nfs/dbraw/zinc/74/84/81/1088748481.db2.gz BZJWJWMBYIDGSG-UHFFFAOYSA-N -1 3 367.714 4.229 20 0 FIADHM CCOc1cc(-c2noc(C=C([O-])c3ccccc3Cl)n2)ccc1OC ZINC001211647382 1088764534 /nfs/dbraw/zinc/76/45/34/1088764534.db2.gz MQLQQODQFSELTC-UHFFFAOYSA-N -1 3 372.808 4.223 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(Cc3cccc(F)c3F)CC2)cc1F ZINC000659797213 1088877071 /nfs/dbraw/zinc/87/70/71/1088877071.db2.gz ACQTXXIZQGRMNH-UHFFFAOYSA-N -1 3 363.379 4.257 20 0 FIADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3cccc([O-])c3F)cc2)c1 ZINC000188948937 1089017233 /nfs/dbraw/zinc/01/72/33/1089017233.db2.gz PVODXWWLIBISGT-UHFFFAOYSA-N -1 3 365.360 4.023 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c1 ZINC001143491141 1089182978 /nfs/dbraw/zinc/18/29/78/1089182978.db2.gz DFVCTJOGNZBQBO-UHFFFAOYSA-N -1 3 359.838 4.379 20 0 FIADHM CCCc1cc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)sc1C ZINC000023984657 1089190682 /nfs/dbraw/zinc/19/06/82/1089190682.db2.gz YOSCTJIUBIWJTB-UHFFFAOYSA-N -1 3 371.289 4.391 20 0 FIADHM O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1c(F)ccc([O-])c1F ZINC000514758365 1089442287 /nfs/dbraw/zinc/44/22/87/1089442287.db2.gz KZOSHIPROVNXDH-UHFFFAOYSA-N -1 3 355.300 4.059 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)c3c(c2)OCCO3)CC)n1 ZINC000435341191 1089547432 /nfs/dbraw/zinc/54/74/32/1089547432.db2.gz UUZPWAOHZAVWTJ-MDWZMJQESA-N -1 3 360.841 4.098 20 0 FIADHM CSc1c(F)cccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000515031685 1089725764 /nfs/dbraw/zinc/72/57/64/1089725764.db2.gz ZICCVLXBGYIOEC-UHFFFAOYSA-N -1 3 356.216 4.268 20 0 FIADHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3cccc(F)c3)no2)c1 ZINC000515043575 1089733370 /nfs/dbraw/zinc/73/33/70/1089733370.db2.gz PBOFBSUOGAEWDP-UHFFFAOYSA-N -1 3 374.755 4.173 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc2ccccc2n1CC(F)(F)F ZINC000515151324 1089829406 /nfs/dbraw/zinc/82/94/06/1089829406.db2.gz OYSDPASKESNLCL-UHFFFAOYSA-N -1 3 352.287 4.301 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(Br)cs1 ZINC000182160318 1090057463 /nfs/dbraw/zinc/05/74/63/1090057463.db2.gz QNANLKVNHWCYAO-UHFFFAOYSA-N -1 3 372.294 4.343 20 0 FIADHM O=C([N-]c1nc(C(F)(F)F)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000041867749 1090275390 /nfs/dbraw/zinc/27/53/90/1090275390.db2.gz GPFCIHIXEFINQU-UHFFFAOYSA-N -1 3 357.288 4.208 20 0 FIADHM CC1(C)CC[C@H](C(=O)N2CCCc3c(=O)[n-]cnc32)[C@@H](c2ccccc2)C1 ZINC000893203901 1090299512 /nfs/dbraw/zinc/29/95/12/1090299512.db2.gz FEWXQWYSRRNPTH-FUHWJXTLSA-N -1 3 365.477 4.072 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCCC3CC3)cc2)cc1 ZINC000643134307 1090376444 /nfs/dbraw/zinc/37/64/44/1090376444.db2.gz QEYREIIRGVWFPT-UHFFFAOYSA-N -1 3 372.490 4.315 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)C1=Cc2ccccc2OCC1 ZINC000186918816 1090709775 /nfs/dbraw/zinc/70/97/75/1090709775.db2.gz PCDYAOHBJNWIQR-UHFFFAOYSA-N -1 3 353.802 4.044 20 0 FIADHM O=C([O-])C[C@@H](CNCc1csc(C2CC2)n1)c1ccc(Cl)cc1 ZINC000417543707 1090918423 /nfs/dbraw/zinc/91/84/23/1090918423.db2.gz GKOKQICXOOIRQB-ZDUSSCGKSA-N -1 3 350.871 4.022 20 0 FIADHM Cc1cc(F)c(CNC[C@@H](Cc2ccccc2Cl)C(=O)[O-])c(Cl)c1 ZINC000417549054 1090922467 /nfs/dbraw/zinc/92/24/67/1090922467.db2.gz SEDLLYJIBQBUTF-CYBMUJFWSA-N -1 3 370.251 4.474 20 0 FIADHM Cc1cc(F)c(CNC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(Cl)c1 ZINC000417550903 1090922620 /nfs/dbraw/zinc/92/26/20/1090922620.db2.gz XNCNGRADOXJMGH-ZDUSSCGKSA-N -1 3 370.251 4.474 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C3CCC3)cc2)cc1OC ZINC000417557445 1090924946 /nfs/dbraw/zinc/92/49/46/1090924946.db2.gz RNAYJNNCIFCSFL-LJQANCHMSA-N -1 3 369.461 4.277 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnc(C3CCC3)s2)cc1 ZINC000417573856 1090926829 /nfs/dbraw/zinc/92/68/29/1090926829.db2.gz HWRYJYSPMQYTAY-KRWDZBQOSA-N -1 3 360.479 4.115 20 0 FIADHM Cc1cc(C)cc(C[C@H](NCc2csc(Cl)c2Cl)C(=O)[O-])c1 ZINC000417563906 1090927700 /nfs/dbraw/zinc/92/77/00/1090927700.db2.gz DTRNPVXHSWOFFF-ZDUSSCGKSA-N -1 3 358.290 4.457 20 0 FIADHM Cc1ccccc1[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000584844997 1090940137 /nfs/dbraw/zinc/94/01/37/1090940137.db2.gz NFCAIYQKKQDZPB-GOSISDBHSA-N -1 3 362.429 4.338 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000092603925 1091026782 /nfs/dbraw/zinc/02/67/82/1091026782.db2.gz QRJXEHBRYYKADV-LPHOPBHVSA-N -1 3 357.450 4.056 20 0 FIADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1nc(Br)cs1 ZINC000191895524 1091098523 /nfs/dbraw/zinc/09/85/23/1091098523.db2.gz XMHHNFGFVPOUPF-UHFFFAOYSA-N -1 3 369.137 4.316 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc4ccccc43)c2)n1 ZINC000500347690 1091342664 /nfs/dbraw/zinc/34/26/64/1091342664.db2.gz UPUZKQUDKLMEAN-UHFFFAOYSA-N -1 3 370.412 4.212 20 0 FIADHM O=S(=O)([N-]Cc1cccs1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500425819 1091505073 /nfs/dbraw/zinc/50/50/73/1091505073.db2.gz GYLUKFGTZUXAOY-UHFFFAOYSA-N -1 3 370.908 4.004 20 0 FIADHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc([O-])ccc1Cl ZINC000511671429 1091521927 /nfs/dbraw/zinc/52/19/27/1091521927.db2.gz MTHJVZWDAYGSGC-SWLSCSKDSA-N -1 3 366.642 4.094 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000606715009 1091955549 /nfs/dbraw/zinc/95/55/49/1091955549.db2.gz MHVXJECERCPUHJ-MRXNPFEDSA-N -1 3 367.424 4.102 20 0 FIADHM [O-]c1cccc(CN2CC=C(c3ccc4c(c3)OCCO4)CC2)c1Cl ZINC000512333309 1092059217 /nfs/dbraw/zinc/05/92/17/1092059217.db2.gz GHJXCDJDJAAKRH-UHFFFAOYSA-N -1 3 357.837 4.106 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)SCc2ccccc2)[nH][n-]1 ZINC000512340638 1092079779 /nfs/dbraw/zinc/07/97/79/1092079779.db2.gz BVEDWKDSFRQLLC-OAHLLOKOSA-N -1 3 351.475 4.067 20 0 FIADHM COCCC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000093093753 1092266973 /nfs/dbraw/zinc/26/69/73/1092266973.db2.gz UHIHQWMRERTPBF-UHFFFAOYSA-N -1 3 368.458 4.424 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3c4ccccc4C[C@H]3C)cc2)cc(=O)[n-]1 ZINC000521175705 1092551717 /nfs/dbraw/zinc/55/17/17/1092551717.db2.gz QBKFGXALBSSPSW-ASSNKEHSSA-N -1 3 374.444 4.213 20 0 FIADHM O=c1nc(CN2CC[C@@H](C3CCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000665288272 1092684315 /nfs/dbraw/zinc/68/43/15/1092684315.db2.gz IMTSVILGRRJWFG-CYBMUJFWSA-N -1 3 355.463 4.279 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc(-c4cccs4)on3)[nH][n-]2)c1 ZINC000512545492 1092766160 /nfs/dbraw/zinc/76/61/60/1092766160.db2.gz OVGMZINZVFJMLP-UHFFFAOYSA-N -1 3 364.430 4.084 20 0 FIADHM O=C(Nc1nnc(C(F)F)s1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110229092 1092831532 /nfs/dbraw/zinc/83/15/32/1092831532.db2.gz OLCRFWWUOGGZCY-UHFFFAOYSA-N -1 3 361.373 4.024 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1 ZINC000521872554 1092956929 /nfs/dbraw/zinc/95/69/29/1092956929.db2.gz TZNXAXUWAQTCEN-UHFFFAOYSA-N -1 3 351.493 4.139 20 0 FIADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C)ccc3F)c2)n1 ZINC000443406631 1093108242 /nfs/dbraw/zinc/10/82/42/1093108242.db2.gz NHEUEYWJSIFPIY-UHFFFAOYSA-N -1 3 362.451 4.367 20 0 FIADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc21 ZINC000191228415 1093128775 /nfs/dbraw/zinc/12/87/75/1093128775.db2.gz ZAQNCGBHVURLDQ-UHFFFAOYSA-N -1 3 374.220 4.062 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)c(C)c1 ZINC000509616379 1093175204 /nfs/dbraw/zinc/17/52/04/1093175204.db2.gz FSIDTLSRLDILBP-UHFFFAOYSA-N -1 3 365.454 4.335 20 0 FIADHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000429855946 1093287267 /nfs/dbraw/zinc/28/72/67/1093287267.db2.gz WBBYSBCTBWAFEY-UHFFFAOYSA-N -1 3 365.307 4.052 20 0 FIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000433138843 1093323063 /nfs/dbraw/zinc/32/30/63/1093323063.db2.gz ZMYBIXIFFLNCFL-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000512778196 1093326998 /nfs/dbraw/zinc/32/69/98/1093326998.db2.gz DDGJIDLKDVSJOF-SNVBAGLBSA-N -1 3 362.253 4.215 20 0 FIADHM C[C@H](NCc1nc(=O)c2sccc2[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000411480282 1093333895 /nfs/dbraw/zinc/33/38/95/1093333895.db2.gz XIZOVEMRZVGDAZ-VIFPVBQESA-N -1 3 369.368 4.146 20 0 FIADHM CC(C)c1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001211794519 1093335474 /nfs/dbraw/zinc/33/54/74/1093335474.db2.gz WEOFZQRDRSSWLP-LBPRGKRZSA-N -1 3 373.927 4.271 20 0 FIADHM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000909513907 1093345450 /nfs/dbraw/zinc/34/54/50/1093345450.db2.gz WMSJTLMXEYUSIN-UHFFFAOYSA-N -1 3 366.461 4.240 20 0 FIADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433165086 1093353939 /nfs/dbraw/zinc/35/39/39/1093353939.db2.gz BDGKADZOJHXUHI-UHFFFAOYSA-N -1 3 357.834 4.214 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccccc2Cl)[nH][n-]1 ZINC000512854102 1093454185 /nfs/dbraw/zinc/45/41/85/1093454185.db2.gz HGMYGSCWDSFDRA-UHFFFAOYSA-N -1 3 362.216 4.066 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(CN(C)C)c1 ZINC000114054193 1093529259 /nfs/dbraw/zinc/52/92/59/1093529259.db2.gz OJAAQIZHNKHAFN-UHFFFAOYSA-N -1 3 373.305 4.164 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCc3ccccc3Cl)cc2)cc(=O)[n-]1 ZINC000509843759 1093534620 /nfs/dbraw/zinc/53/46/20/1093534620.db2.gz HWPRGCLKMKNWSR-UHFFFAOYSA-N -1 3 368.824 4.133 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)c3cccs3)cc2)cc(=O)[n-]1 ZINC000509859870 1093615994 /nfs/dbraw/zinc/61/59/94/1093615994.db2.gz LFRBTYRGGNHYBI-GFCCVEGCSA-N -1 3 368.462 4.444 20 0 FIADHM CCOc1cc(CNc2cccc(N=S(C)(C)=O)c2)cc(Cl)c1[O-] ZINC000895731957 1093694460 /nfs/dbraw/zinc/69/44/60/1093694460.db2.gz ALZJVSUSBCCTNB-UHFFFAOYSA-N -1 3 368.886 4.416 20 0 FIADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C(F)(F)F)o1 ZINC000474373964 1093718882 /nfs/dbraw/zinc/71/88/82/1093718882.db2.gz OZZOLLJWVMESNA-UHFFFAOYSA-N -1 3 364.117 4.327 20 0 FIADHM C/C=C(\C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000178817498 1093768861 /nfs/dbraw/zinc/76/88/61/1093768861.db2.gz KHIJOLSOLJFEBD-WLRTZDKTSA-N -1 3 358.463 4.009 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccccc3)C3CC3)cc2)cc(=O)[n-]1 ZINC000509901915 1093788601 /nfs/dbraw/zinc/78/86/01/1093788601.db2.gz XRXSKMSNHVVZJF-UHFFFAOYSA-N -1 3 374.444 4.354 20 0 FIADHM COc1ccc(-c2nc(C(=O)[N-]c3nnc(C(C)C)s3)cs2)cc1 ZINC000025324144 1093796324 /nfs/dbraw/zinc/79/63/24/1093796324.db2.gz NQLQLBKNADDJLU-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM Cc1cccc2sc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c(Cl)c21 ZINC000026251975 1094157167 /nfs/dbraw/zinc/15/71/67/1094157167.db2.gz QTCCLRJBKJVCRZ-UHFFFAOYSA-N -1 3 360.748 4.252 20 0 FIADHM Cc1cccc2sc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c(Cl)c21 ZINC000026251975 1094157169 /nfs/dbraw/zinc/15/71/69/1094157169.db2.gz QTCCLRJBKJVCRZ-UHFFFAOYSA-N -1 3 360.748 4.252 20 0 FIADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1cc([O-])cc(F)c1 ZINC000513594511 1094229337 /nfs/dbraw/zinc/22/93/37/1094229337.db2.gz AHAGGYGYBPSJDL-HNNXBMFYSA-N -1 3 356.441 4.466 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2ccccc2Oc2ccncc2)[nH][n-]1 ZINC000513626963 1094251642 /nfs/dbraw/zinc/25/16/42/1094251642.db2.gz HWHMLULEDRMKJI-UHFFFAOYSA-N -1 3 370.412 4.247 20 0 FIADHM COc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1Cl ZINC000414376638 1094297450 /nfs/dbraw/zinc/29/74/50/1094297450.db2.gz UXODTRYLGNTVGP-UHFFFAOYSA-N -1 3 372.849 4.109 20 0 FIADHM CCC[C@H](C)NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210266 1094315296 /nfs/dbraw/zinc/31/52/96/1094315296.db2.gz XXIBEDJCBSFKNZ-QWRGUYRKSA-N -1 3 368.503 4.206 20 0 FIADHM C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1C(F)(F)F ZINC001225578953 1094373662 /nfs/dbraw/zinc/37/36/62/1094373662.db2.gz ICXOSFXNFKADDW-ZETCQYMHSA-N -1 3 352.234 4.360 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2c(F)cccc2F)CC1 ZINC000501392804 1094678434 /nfs/dbraw/zinc/67/84/34/1094678434.db2.gz APMFOQGTMAQUEI-UHFFFAOYSA-N -1 3 351.780 4.344 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000501838126 1094977337 /nfs/dbraw/zinc/97/73/37/1094977337.db2.gz DZQIWMGTXCHMRX-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM O=C(N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1)C1CCCC1 ZINC000522505830 1095046731 /nfs/dbraw/zinc/04/67/31/1095046731.db2.gz AGSNACWDKDQRMM-UHFFFAOYSA-N -1 3 368.662 4.043 20 0 FIADHM C[C@@H](CC(=O)Nc1ccc(Br)cc1[O-])c1cccc(F)c1 ZINC000522533595 1095115385 /nfs/dbraw/zinc/11/53/85/1095115385.db2.gz ORQQDKAFMKYSMT-JTQLQIEISA-N -1 3 352.203 4.426 20 0 FIADHM CCC1(CC)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCS1 ZINC000329690629 1095146198 /nfs/dbraw/zinc/14/61/98/1095146198.db2.gz DCKPVDDRTVTTGV-UHFFFAOYSA-N -1 3 357.479 4.189 20 0 FIADHM O=C(Nc1ccccc1[O-])c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000475036159 1095245602 /nfs/dbraw/zinc/24/56/02/1095245602.db2.gz XHMFHHXXFQHZNN-UHFFFAOYSA-N -1 3 353.324 4.154 20 0 FIADHM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421144454 1095382444 /nfs/dbraw/zinc/38/24/44/1095382444.db2.gz BSEVJABIYHDDQP-KRWDZBQOSA-N -1 3 371.543 4.195 20 0 FIADHM CC(C)(C)OCc1cc(C(=O)[N-]c2nc(-c3ccccc3F)co2)no1 ZINC000280936803 1095458965 /nfs/dbraw/zinc/45/89/65/1095458965.db2.gz SEDZUNZKBSUEKD-UHFFFAOYSA-N -1 3 359.357 4.036 20 0 FIADHM CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000502516352 1095553499 /nfs/dbraw/zinc/55/34/99/1095553499.db2.gz CUQOCNYWHQNTBQ-UHFFFAOYSA-N -1 3 357.793 4.484 20 0 FIADHM CCCc1nnc([N-]C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)s1 ZINC000502539540 1095563841 /nfs/dbraw/zinc/56/38/41/1095563841.db2.gz TZCRZFXANADYPG-UHFFFAOYSA-N -1 3 366.418 4.145 20 0 FIADHM CCCCc1nc(NC(=O)c2ccc(Cl)cc2C)c(C(=O)OCC)[n-]1 ZINC001269123560 1095568173 /nfs/dbraw/zinc/56/81/73/1095568173.db2.gz CHFLRFWYQZAILW-UHFFFAOYSA-N -1 3 363.845 4.143 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)Oc3ccccc3)nc2)n1 ZINC000513758802 1095927555 /nfs/dbraw/zinc/92/75/55/1095927555.db2.gz GSZBEKKOVCLUNA-UHFFFAOYSA-N -1 3 364.449 4.076 20 0 FIADHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000502976630 1095997549 /nfs/dbraw/zinc/99/75/49/1095997549.db2.gz SRWVEPLCCWNFSS-UHFFFAOYSA-N -1 3 361.228 4.107 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c2ccccc12 ZINC000647919257 1096145854 /nfs/dbraw/zinc/14/58/54/1096145854.db2.gz SXWMKAJGPVMEIG-UHFFFAOYSA-N -1 3 363.822 4.008 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-c2ccc(F)cc2)s1 ZINC000504099790 1096664075 /nfs/dbraw/zinc/66/40/75/1096664075.db2.gz IPLBQPOEWFEIEO-UHFFFAOYSA-N -1 3 354.366 4.185 20 0 FIADHM CC(C)CCc1nc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cs1 ZINC000515856380 1098990501 /nfs/dbraw/zinc/99/05/01/1098990501.db2.gz UESYRFWRQANAHW-QZTJIDSGSA-N -1 3 358.507 4.032 20 0 FIADHM O=S(=O)(CCCCF)[N-]c1ccccc1-c1nc2ccccc2s1 ZINC000436481052 1099043432 /nfs/dbraw/zinc/04/34/32/1099043432.db2.gz ZYTFOGFWXZRAHJ-UHFFFAOYSA-N -1 3 364.467 4.455 20 0 FIADHM CCOc1cccc([C@@H](C)NCc2cccc([O-])c2Br)c1 ZINC000459385837 1099064519 /nfs/dbraw/zinc/06/45/19/1099064519.db2.gz GLGHPHBAIHPBDU-GFCCVEGCSA-N -1 3 350.256 4.404 20 0 FIADHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000436524251 1099081668 /nfs/dbraw/zinc/08/16/68/1099081668.db2.gz ZYYHEVLAWKWPHO-IBGZPJMESA-N -1 3 364.445 4.095 20 0 FIADHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436530361 1099085643 /nfs/dbraw/zinc/08/56/43/1099085643.db2.gz UKYITMFNHCUVRQ-UHFFFAOYSA-N -1 3 364.445 4.180 20 0 FIADHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436535945 1099089892 /nfs/dbraw/zinc/08/98/92/1099089892.db2.gz MBDVTEMVUNQJNQ-CYBMUJFWSA-N -1 3 366.417 4.150 20 0 FIADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000436553517 1099099767 /nfs/dbraw/zinc/09/97/67/1099099767.db2.gz HJBTWNQKEWTOLV-RXVVDRJESA-N -1 3 353.462 4.413 20 0 FIADHM CC(C)c1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c([O-])c1 ZINC000436556022 1099101482 /nfs/dbraw/zinc/10/14/82/1099101482.db2.gz KCQNGKNGDFMISV-UHFFFAOYSA-N -1 3 367.474 4.007 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c([O-])c1C ZINC000436540416 1099105941 /nfs/dbraw/zinc/10/59/41/1099105941.db2.gz XAQFERSZUYMJIO-UHFFFAOYSA-N -1 3 355.434 4.128 20 0 FIADHM Cc1ccc(-c2nc(-c3cccc(OCc4ccccc4)n3)no2)c([O-])c1 ZINC000436543218 1099108654 /nfs/dbraw/zinc/10/86/54/1099108654.db2.gz KQDMBIWNZHAFQO-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM COC1(c2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)CCCC1 ZINC000436575403 1099111491 /nfs/dbraw/zinc/11/14/91/1099111491.db2.gz MHMCJVWINFMJPW-UHFFFAOYSA-N -1 3 350.418 4.449 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c1[O-] ZINC000436570425 1099120208 /nfs/dbraw/zinc/12/02/08/1099120208.db2.gz QDBNODNXLQXWDI-UHFFFAOYSA-N -1 3 364.401 4.457 20 0 FIADHM COc1ccc(N(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1F ZINC000436592106 1099124877 /nfs/dbraw/zinc/12/48/77/1099124877.db2.gz ZNRWNWAZAYDSQC-UHFFFAOYSA-N -1 3 365.404 4.407 20 0 FIADHM C[C@H]1C[C@@H](c2ccccc2)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000516076708 1099156594 /nfs/dbraw/zinc/15/65/94/1099156594.db2.gz VLXCXZUWRKBUKF-HNAYVOBHSA-N -1 3 362.429 4.418 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000436649621 1099171491 /nfs/dbraw/zinc/17/14/91/1099171491.db2.gz WCELEOKLTYPSEX-UHFFFAOYSA-N -1 3 365.351 4.136 20 0 FIADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436650486 1099171746 /nfs/dbraw/zinc/17/17/46/1099171746.db2.gz WFJKPABAIVIUPM-SNVBAGLBSA-N -1 3 372.421 4.160 20 0 FIADHM CC(=O)c1ccc(C(=O)N(C)C2c3ccccc3-c3ccccc32)cc1[O-] ZINC000436653576 1099174903 /nfs/dbraw/zinc/17/49/03/1099174903.db2.gz FTVHTIONOCPJDF-UHFFFAOYSA-N -1 3 357.409 4.437 20 0 FIADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1c([O-])cccc1O ZINC000436648299 1099191073 /nfs/dbraw/zinc/19/10/73/1099191073.db2.gz PIUDRCOXLCKCGT-LLVKDONJSA-N -1 3 354.431 4.021 20 0 FIADHM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436669900 1099201113 /nfs/dbraw/zinc/20/11/13/1099201113.db2.gz CNSQADIWPSKGIM-NSHDSACASA-N -1 3 354.431 4.021 20 0 FIADHM COc1cc(-c2nc3cc(Cl)ccc3n2C)cc(Br)c1[O-] ZINC000436659219 1099206642 /nfs/dbraw/zinc/20/66/42/1099206642.db2.gz YDNIDCXPFBFMKV-UHFFFAOYSA-N -1 3 367.630 4.370 20 0 FIADHM COc1ccccc1O[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436675577 1099210428 /nfs/dbraw/zinc/21/04/28/1099210428.db2.gz LGNUQINWWOEGPL-QGZVFWFLSA-N -1 3 369.461 4.208 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(C)=C(c3ccco3)C2)c([O-])c1 ZINC000436681254 1099215838 /nfs/dbraw/zinc/21/58/38/1099215838.db2.gz LYBSXLRZIRYSKE-UHFFFAOYSA-N -1 3 355.434 4.484 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000436695781 1099229642 /nfs/dbraw/zinc/22/96/42/1099229642.db2.gz FWPRGWCZJPIRQX-UHFFFAOYSA-N -1 3 352.217 4.209 20 0 FIADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccc(O)cc1[O-] ZINC000436711497 1099242963 /nfs/dbraw/zinc/24/29/63/1099242963.db2.gz IPUAHCBGCMHLNQ-SNVBAGLBSA-N -1 3 372.421 4.160 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccc(=O)[nH]1 ZINC000436715442 1099247361 /nfs/dbraw/zinc/24/73/61/1099247361.db2.gz LCLOZXHWTDVQSC-UHFFFAOYSA-N -1 3 363.398 4.022 20 0 FIADHM COc1ccc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c([O-])c1 ZINC000436743606 1099263849 /nfs/dbraw/zinc/26/38/49/1099263849.db2.gz YXTPUIPGLORUJX-UHFFFAOYSA-N -1 3 368.408 4.041 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000436743636 1099264429 /nfs/dbraw/zinc/26/44/29/1099264429.db2.gz YAFCOBVYWQEUAW-AWEZNQCLSA-N -1 3 367.470 4.407 20 0 FIADHM COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(C)cc2[O-])n1 ZINC000436732564 1099270422 /nfs/dbraw/zinc/27/04/22/1099270422.db2.gz RONHIPRCFSBIAB-UHFFFAOYSA-N -1 3 358.394 4.224 20 0 FIADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCOc2ccccc21 ZINC000436756265 1099271461 /nfs/dbraw/zinc/27/14/61/1099271461.db2.gz PGWTYXGGXDLGHX-UHFFFAOYSA-N -1 3 361.397 4.010 20 0 FIADHM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c(CN(C)C)c1 ZINC000436749091 1099281685 /nfs/dbraw/zinc/28/16/85/1099281685.db2.gz ABHZIVDHTKBESR-UHFFFAOYSA-N -1 3 352.356 4.033 20 0 FIADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](CC)c1ccccc1 ZINC000436788237 1099319839 /nfs/dbraw/zinc/31/98/39/1099319839.db2.gz VQRVTHMTVFXQFI-LJQANCHMSA-N -1 3 354.450 4.354 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)c1[O-] ZINC000436815713 1099329277 /nfs/dbraw/zinc/32/92/77/1099329277.db2.gz PRZPMNCBWLOMLH-OAHLLOKOSA-N -1 3 354.450 4.340 20 0 FIADHM CCc1ccc(C(=O)N(C)CCc2ccc(Br)cc2)c([O-])c1 ZINC000436818418 1099330744 /nfs/dbraw/zinc/33/07/44/1099330744.db2.gz AVFQFGUOIZAULU-UHFFFAOYSA-N -1 3 362.267 4.032 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)c([O-])c1 ZINC000436821880 1099348589 /nfs/dbraw/zinc/34/85/89/1099348589.db2.gz QTOIDCSKBGNEIG-UHFFFAOYSA-N -1 3 359.332 4.195 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c([O-])c1 ZINC000436823585 1099350621 /nfs/dbraw/zinc/35/06/21/1099350621.db2.gz BUJXKMNMSXCGNB-UHFFFAOYSA-N -1 3 354.450 4.500 20 0 FIADHM O=S(=O)(c1ccccc1)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212007529 1099373196 /nfs/dbraw/zinc/37/31/96/1099373196.db2.gz LSLSQWLTDOXVGT-UHFFFAOYSA-N -1 3 361.369 4.247 20 0 FIADHM CC(C)COC(=O)c1cc(N)c(Cl)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212009925 1099375603 /nfs/dbraw/zinc/37/56/03/1099375603.db2.gz ZNNBTDZHFRGGQS-UHFFFAOYSA-N -1 3 370.783 4.462 20 0 FIADHM Cc1cn2c(nc(C)c2CN(C)C(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436866276 1099377538 /nfs/dbraw/zinc/37/75/38/1099377538.db2.gz XQCKLZRZHHDUPC-UHFFFAOYSA-N -1 3 357.479 4.114 20 0 FIADHM CCc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)c([O-])c1 ZINC000436868427 1099379653 /nfs/dbraw/zinc/37/96/53/1099379653.db2.gz JDPBXHJZPFGTMR-UHFFFAOYSA-N -1 3 371.824 4.148 20 0 FIADHM Cc1ncccc1-c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436885126 1099400388 /nfs/dbraw/zinc/40/03/88/1099400388.db2.gz IHTLIUCZOCJUNZ-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM CCc1ccc(-c2nc([C@H](NC(=O)c3ccccc3)C(C)C)no2)c([O-])c1 ZINC000436885783 1099402721 /nfs/dbraw/zinc/40/27/21/1099402721.db2.gz PFLQKIXKNWIBAS-GOSISDBHSA-N -1 3 365.433 4.132 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000436892828 1099410963 /nfs/dbraw/zinc/41/09/63/1099410963.db2.gz LEHHHKHPRCMSNI-UHFFFAOYSA-N -1 3 358.401 4.258 20 0 FIADHM Cc1ccccc1NC(=O)Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436895544 1099421400 /nfs/dbraw/zinc/42/14/00/1099421400.db2.gz XFQPXUMEGLMEAN-UHFFFAOYSA-N -1 3 351.406 4.055 20 0 FIADHM CCC(=O)[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436896874 1099422852 /nfs/dbraw/zinc/42/28/52/1099422852.db2.gz OXJPRIAEARLXMG-GOSISDBHSA-N -1 3 353.418 4.158 20 0 FIADHM COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3ccccc3[O-])s2)cc1 ZINC000436901402 1099426567 /nfs/dbraw/zinc/42/65/67/1099426567.db2.gz HBJDXEKFZITMAP-GFCCVEGCSA-N -1 3 368.458 4.324 20 0 FIADHM CCc1nnc(-c2ccc(NC(=O)c3ccc4c(c3[O-])CCCC4)cc2)o1 ZINC000436960773 1099460747 /nfs/dbraw/zinc/46/07/47/1099460747.db2.gz FDYNLDBVDLPWIC-UHFFFAOYSA-N -1 3 363.417 4.136 20 0 FIADHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c([O-])c1 ZINC000437001077 1099520280 /nfs/dbraw/zinc/52/02/80/1099520280.db2.gz NRFQPPLTDFGNOE-HNNXBMFYSA-N -1 3 374.278 4.168 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1[O-] ZINC000516506894 1099539283 /nfs/dbraw/zinc/53/92/83/1099539283.db2.gz NJZJOOHZJMVGGI-UHFFFAOYSA-N -1 3 361.397 4.426 20 0 FIADHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000437487314 1099950178 /nfs/dbraw/zinc/95/01/78/1099950178.db2.gz ZBJVOQNRHULQJW-AUUYWEPGSA-N -1 3 364.445 4.297 20 0 FIADHM Cc1csc(C2(NCc3cccc([O-])c3Br)CCCC2)n1 ZINC000459418923 1100125581 /nfs/dbraw/zinc/12/55/81/1100125581.db2.gz WIVRYOBPKYQYOH-UHFFFAOYSA-N -1 3 367.312 4.479 20 0 FIADHM CC(C)(NCc1cccc([O-])c1Br)c1ccc(F)c(F)c1 ZINC000459434934 1100146468 /nfs/dbraw/zinc/14/64/68/1100146468.db2.gz VOQKOPALQYUZQR-UHFFFAOYSA-N -1 3 356.210 4.458 20 0 FIADHM C[C@@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000517235883 1100209616 /nfs/dbraw/zinc/20/96/16/1100209616.db2.gz ZSNFXXVEJGDXFR-UKRRQHHQSA-N -1 3 361.388 4.300 20 0 FIADHM [O-]c1cccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)c1Br ZINC000459467506 1100210471 /nfs/dbraw/zinc/21/04/71/1100210471.db2.gz QHVAOKLAHNZBOU-YJBOKZPZSA-N -1 3 362.267 4.022 20 0 FIADHM CCOc1cc(CNc2ccc(CCC(=O)OC)cc2)cc(Cl)c1[O-] ZINC000459489747 1100224103 /nfs/dbraw/zinc/22/41/03/1100224103.db2.gz XNRSJHOVWVSAIF-UHFFFAOYSA-N -1 3 363.841 4.162 20 0 FIADHM C[C@](O)(CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000536723463 1100246120 /nfs/dbraw/zinc/24/61/20/1100246120.db2.gz UEYMIQIICKUGBY-FQEVSTJZSA-N -1 3 368.458 4.159 20 0 FIADHM [O-]c1cccc(CN2CCC(CC(F)(F)F)CC2)c1Br ZINC000459519874 1100257834 /nfs/dbraw/zinc/25/78/34/1100257834.db2.gz ICGXYWYBCFIUPW-UHFFFAOYSA-N -1 3 352.194 4.319 20 0 FIADHM [O-]c1cccc(CN[C@@H](CCO)c2ccc(Cl)cc2)c1Br ZINC000459562757 1100312937 /nfs/dbraw/zinc/31/29/37/1100312937.db2.gz PBRCTANVJTYOAP-AWEZNQCLSA-N -1 3 370.674 4.021 20 0 FIADHM COc1cc(NCc2cccc([O-])c2Br)cc(OC)c1C ZINC000459595698 1100333937 /nfs/dbraw/zinc/33/39/37/1100333937.db2.gz SWZBKDUZVKOXSA-UHFFFAOYSA-N -1 3 352.228 4.092 20 0 FIADHM CCN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCC(C(=O)[O-])CC1 ZINC000517394271 1100345974 /nfs/dbraw/zinc/34/59/74/1100345974.db2.gz DYPLPXGYZHKZII-UHFFFAOYSA-N -1 3 362.857 4.460 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cnc(C4CC4)s3)s2)cc1 ZINC000517438101 1100375810 /nfs/dbraw/zinc/37/58/10/1100375810.db2.gz QHURIDQXNNNARR-UHFFFAOYSA-N -1 3 356.476 4.024 20 0 FIADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506188822 1100509798 /nfs/dbraw/zinc/50/97/98/1100509798.db2.gz IXKGUWQUYNRXPH-UHFFFAOYSA-N -1 3 372.827 4.373 20 0 FIADHM CCOc1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000517663126 1100587328 /nfs/dbraw/zinc/58/73/28/1100587328.db2.gz UHTQQPRPCBFCHB-UHFFFAOYSA-N -1 3 364.239 4.125 20 0 FIADHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000438750578 1100903261 /nfs/dbraw/zinc/90/32/61/1100903261.db2.gz GUWKPEXSHARKKU-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM O=S(=O)([N-]c1cccc(-c2cccs2)c1)c1ccc2c(c1)CCO2 ZINC000509578182 1100971238 /nfs/dbraw/zinc/97/12/38/1100971238.db2.gz PVOUJRGAWKDNBX-UHFFFAOYSA-N -1 3 357.456 4.151 20 0 FIADHM CCCc1nc2ccccc2n1CCC(=O)Nc1c([O-])cccc1Cl ZINC000518397695 1101154021 /nfs/dbraw/zinc/15/40/21/1101154021.db2.gz QRQLMLMEBGWWDH-UHFFFAOYSA-N -1 3 357.841 4.377 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccc(C2=CCCC2)cc1 ZINC000648431122 1101311653 /nfs/dbraw/zinc/31/16/53/1101311653.db2.gz IQMASYIFHLCZBT-UHFFFAOYSA-N -1 3 369.774 4.340 20 0 FIADHM CC[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)C1CCC(C)CC1 ZINC000648431785 1101323892 /nfs/dbraw/zinc/32/38/92/1101323892.db2.gz DPINMKCZIOLURW-HTAVTVPLSA-N -1 3 365.827 4.312 20 0 FIADHM CC[C@@H](Cc1ccccc1C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431369 1101326613 /nfs/dbraw/zinc/32/66/13/1101326613.db2.gz SDJRCFZENQQUEL-LBPRGKRZSA-N -1 3 373.806 4.037 20 0 FIADHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000536907309 1101331627 /nfs/dbraw/zinc/33/16/27/1101331627.db2.gz ZENPACFQIKTEFY-MRVPVSSYSA-N -1 3 365.307 4.052 20 0 FIADHM Cc1c([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[nH]c1-c1ccccc1 ZINC000760154661 1101446745 /nfs/dbraw/zinc/44/67/45/1101446745.db2.gz YZQFDYJGSCAIAE-QXMHVHEDSA-N -1 3 373.865 4.451 20 0 FIADHM Cc1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(C)s1 ZINC000518728899 1101478912 /nfs/dbraw/zinc/47/89/12/1101478912.db2.gz IVFDKDRROFUOLO-UHFFFAOYSA-N -1 3 368.487 4.492 20 0 FIADHM CCOCCN(CC[C@H]1C[C@H](C)C[C@H](C)C1)Cc1ccc(C(=O)[O-])o1 ZINC000518782987 1101584423 /nfs/dbraw/zinc/58/44/23/1101584423.db2.gz UXHJKNRTDAYQIS-FVQHAEBGSA-N -1 3 351.487 4.279 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC[C@H](C)C3)cc2)cc1 ZINC000537354905 1101689492 /nfs/dbraw/zinc/68/94/92/1101689492.db2.gz NCDPSPOBVUZVNS-HOTGVXAUSA-N -1 3 372.490 4.171 20 0 FIADHM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)ccc(Br)c1F ZINC000426473702 1101723542 /nfs/dbraw/zinc/72/35/42/1101723542.db2.gz FYQKROIYAOJLAY-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM O=C(CCCc1ncc(-c2ccccc2)o1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000519067061 1101905780 /nfs/dbraw/zinc/90/57/80/1101905780.db2.gz BMKRLVKEABXHBU-UHFFFAOYSA-N -1 3 372.428 4.115 20 0 FIADHM Cc1ccc(CN(CC(C)C)C(=O)CCc2c(C)nc(C)[n-]c2=O)c(C)c1 ZINC000648460592 1101995163 /nfs/dbraw/zinc/99/51/63/1101995163.db2.gz PJFBWFKXONVYBV-UHFFFAOYSA-N -1 3 369.509 4.033 20 0 FIADHM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476157983 1101997262 /nfs/dbraw/zinc/99/72/62/1101997262.db2.gz MFWOYHJGSJHMSJ-SNVBAGLBSA-N -1 3 369.314 4.398 20 0 FIADHM CSc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000006976918 1101999611 /nfs/dbraw/zinc/99/96/11/1101999611.db2.gz YTWHIGDBTSMEDE-JTQLQIEISA-N -1 3 374.487 4.241 20 0 FIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000475829165 1102045614 /nfs/dbraw/zinc/04/56/14/1102045614.db2.gz QLXOQRVHJYWQAO-UHFFFAOYSA-N -1 3 369.895 4.455 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000666308318 1102086929 /nfs/dbraw/zinc/08/69/29/1102086929.db2.gz CZTAFBQYWNMNEL-CYBMUJFWSA-N -1 3 368.458 4.275 20 0 FIADHM C[C@H]1[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCN1c1ccccc1 ZINC000476309444 1102099314 /nfs/dbraw/zinc/09/93/14/1102099314.db2.gz LLZAFPHNBUKPFE-SWLSCSKDSA-N -1 3 364.367 4.265 20 0 FIADHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1OC1CCCC1 ZINC000263435973 1102142555 /nfs/dbraw/zinc/14/25/55/1102142555.db2.gz UPPURIGLADUISA-UHFFFAOYSA-N -1 3 355.434 4.005 20 0 FIADHM COc1c(Cl)cc(Cl)cc1CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000263460572 1102165549 /nfs/dbraw/zinc/16/55/49/1102165549.db2.gz BQRCNBDJFQIQKG-LKTVYLICSA-N -1 3 358.265 4.220 20 0 FIADHM C[C@H]1CC[C@@](CNCc2csc(-c3cccs3)n2)(CC(=O)[O-])C1 ZINC000426638934 1102221759 /nfs/dbraw/zinc/22/17/59/1102221759.db2.gz TWPUUOOVWCHHEO-SJCJKPOMSA-N -1 3 350.509 4.242 20 0 FIADHM O=C(NCc1ncccc1[O-])c1oc2ccccc2c1COc1ccccc1 ZINC000473626307 1102335420 /nfs/dbraw/zinc/33/54/20/1102335420.db2.gz BFILXALNBMCUOM-UHFFFAOYSA-N -1 3 374.396 4.042 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2ncccc2Oc2ccccc2)s1 ZINC000440445243 1102372647 /nfs/dbraw/zinc/37/26/47/1102372647.db2.gz VHTZBEWMQQFZGA-UHFFFAOYSA-N -1 3 354.435 4.320 20 0 FIADHM CCc1onc(-c2ccccc2)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000476577739 1102403843 /nfs/dbraw/zinc/40/38/43/1102403843.db2.gz UBRHRQRRVMTJHT-UHFFFAOYSA-N -1 3 372.428 4.277 20 0 FIADHM O=C([O-])C[C@H](CNCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000426657411 1102407598 /nfs/dbraw/zinc/40/75/98/1102407598.db2.gz OKKNPPOXGRMMHS-MRXNPFEDSA-N -1 3 370.449 4.297 20 0 FIADHM COc1cccc(CSCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000110968069 1102436808 /nfs/dbraw/zinc/43/68/08/1102436808.db2.gz LKAZSUJHMLCFHZ-UHFFFAOYSA-N -1 3 352.415 4.111 20 0 FIADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000509664257 1102523833 /nfs/dbraw/zinc/52/38/33/1102523833.db2.gz NDOKBOMLKGGFHQ-ZDUSSCGKSA-N -1 3 372.446 4.123 20 0 FIADHM CN(Cc1ccccc1-c1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000101560417 1102544434 /nfs/dbraw/zinc/54/44/34/1102544434.db2.gz AVSOKHDJJJPVRU-UHFFFAOYSA-N -1 3 361.470 4.284 20 0 FIADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122850556 1102639047 /nfs/dbraw/zinc/63/90/47/1102639047.db2.gz LNBLIGUDIITHKK-LJQANCHMSA-N -1 3 368.477 4.142 20 0 FIADHM Cc1nc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cs1 ZINC000101660712 1102651494 /nfs/dbraw/zinc/65/14/94/1102651494.db2.gz HHXLUDQILPGVKW-UHFFFAOYSA-N -1 3 352.459 4.020 20 0 FIADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000475901791 1102757931 /nfs/dbraw/zinc/75/79/31/1102757931.db2.gz PYNZJSAPOFCYSH-UHFFFAOYSA-N -1 3 373.416 4.304 20 0 FIADHM COc1ccc(Oc2ccc(CNCc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000426698073 1102926976 /nfs/dbraw/zinc/92/69/76/1102926976.db2.gz XCSJSNZLSFURDX-UHFFFAOYSA-N -1 3 363.413 4.476 20 0 FIADHM O=C([O-])[C@@H](CNCc1c(F)cccc1Cl)Cc1ccccc1Cl ZINC000426700011 1102927948 /nfs/dbraw/zinc/92/79/48/1102927948.db2.gz NVFZNLWIKYPYSM-GFCCVEGCSA-N -1 3 356.224 4.166 20 0 FIADHM CSCc1cc(F)ccc1CNCc1cccc([O-])c1Br ZINC000459367712 1102932617 /nfs/dbraw/zinc/93/26/17/1102932617.db2.gz XIACDLTWDUDVFR-UHFFFAOYSA-N -1 3 370.287 4.447 20 0 FIADHM CCOC(=O)c1c(-c2ccc(C)s2)csc1[N-]C(=O)c1cocn1 ZINC000729652601 1102937240 /nfs/dbraw/zinc/93/72/40/1102937240.db2.gz ZKCGSIFNUQRODH-UHFFFAOYSA-N -1 3 362.432 4.202 20 0 FIADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000506897236 1102937289 /nfs/dbraw/zinc/93/72/89/1102937289.db2.gz PKINEVZACURTHE-UHFFFAOYSA-N -1 3 356.425 4.344 20 0 FIADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1OCC ZINC000426720726 1102939826 /nfs/dbraw/zinc/93/98/26/1102939826.db2.gz ORXRUZKSJZEMRE-FQEVSTJZSA-N -1 3 357.450 4.016 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(C)C)c1Cl ZINC001211950449 1102942089 /nfs/dbraw/zinc/94/20/89/1102942089.db2.gz CAPBWWNCZMRKED-NSHDSACASA-N -1 3 350.311 4.406 20 0 FIADHM O=C([O-])C[C@@H](CNCc1coc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000426710924 1102946226 /nfs/dbraw/zinc/94/62/26/1102946226.db2.gz YJWUHKPKIFTIFY-INIZCTEOSA-N -1 3 370.836 4.343 20 0 FIADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1OC ZINC000426733032 1102951828 /nfs/dbraw/zinc/95/18/28/1102951828.db2.gz LCVSQHXZSBVDPT-HXUWFJFHSA-N -1 3 357.450 4.016 20 0 FIADHM O=C([O-])[C@@H](NCc1cc(Cl)cc2cccnc21)c1cccc(Cl)c1 ZINC000426737489 1102955967 /nfs/dbraw/zinc/95/59/67/1102955967.db2.gz OLVOTILPXMMCIG-KRWDZBQOSA-N -1 3 361.228 4.457 20 0 FIADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OC ZINC000426753088 1102968450 /nfs/dbraw/zinc/96/84/50/1102968450.db2.gz GSTOZCMMABQDPA-FQEVSTJZSA-N -1 3 357.450 4.016 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(-c2ccccn2)c1)c1ccc(Cl)c(F)c1 ZINC000426757419 1102972056 /nfs/dbraw/zinc/97/20/56/1102972056.db2.gz OPOVDOSZOMDWNX-LJQANCHMSA-N -1 3 370.811 4.457 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OCC(C)C)cc2)c1 ZINC000426779276 1102982306 /nfs/dbraw/zinc/98/23/06/1102982306.db2.gz GAXIQMSQQWIOKE-HXUWFJFHSA-N -1 3 357.450 4.036 20 0 FIADHM Cc1ncccc1CN[C@@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000426767291 1102987201 /nfs/dbraw/zinc/98/72/01/1102987201.db2.gz LQHOHGIQBMYPDA-NRFANRHFSA-N -1 3 362.429 4.488 20 0 FIADHM Cc1ncccc1CN[C@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000426767292 1102987417 /nfs/dbraw/zinc/98/74/17/1102987417.db2.gz LQHOHGIQBMYPDA-OAQYLSRUSA-N -1 3 362.429 4.488 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3cccs3)s2)c1 ZINC000426787796 1102990460 /nfs/dbraw/zinc/99/04/60/1102990460.db2.gz HUYJGXIWTWYLMQ-OAHLLOKOSA-N -1 3 374.487 4.186 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1ccccc1)C(=O)[O-] ZINC000426789120 1102991959 /nfs/dbraw/zinc/99/19/59/1102991959.db2.gz RUSYNNXNTLWDLV-IBGZPJMESA-N -1 3 369.852 4.058 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC000426794039 1102994708 /nfs/dbraw/zinc/99/47/08/1102994708.db2.gz QAIBKOOEHZYWIN-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM COc1ccc(Oc2ccc(CN[C@@H](C(=O)[O-])c3ccsc3)cc2)cc1 ZINC000426792409 1102994856 /nfs/dbraw/zinc/99/48/56/1102994856.db2.gz MGLSWBSGGVDLFD-LJQANCHMSA-N -1 3 369.442 4.465 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)c1 ZINC000261464526 1102998294 /nfs/dbraw/zinc/99/82/94/1102998294.db2.gz TTYHLJGQAVYPPM-SECBINFHSA-N -1 3 367.232 4.148 20 0 FIADHM CCc1ccc([C@H](NCc2cccc(OCC(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426812737 1103007854 /nfs/dbraw/zinc/00/78/54/1103007854.db2.gz RSTWZWLMGDBXGZ-KRWDZBQOSA-N -1 3 367.367 4.106 20 0 FIADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1Cl ZINC000426821938 1103016175 /nfs/dbraw/zinc/01/61/75/1103016175.db2.gz YFFWWFPGNJVWPU-OAHLLOKOSA-N -1 3 354.233 4.308 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(OCC2CC2)cc1)c1cccc(Cl)c1 ZINC000426823247 1103019670 /nfs/dbraw/zinc/01/96/70/1103019670.db2.gz BOKNRYIQDKVTQH-IBGZPJMESA-N -1 3 359.853 4.434 20 0 FIADHM O=C([O-])[C@]1(NCc2cccc(OC3CCCC3)c2)CCc2c1cccc2F ZINC000551423497 1103208099 /nfs/dbraw/zinc/20/80/99/1103208099.db2.gz XCJYNHDPFQSXEJ-QFIPXVFZSA-N -1 3 369.436 4.163 20 0 FIADHM COCCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000532837094 1103261446 /nfs/dbraw/zinc/26/14/46/1103261446.db2.gz LFINXZMAXJSLHM-UHFFFAOYSA-N -1 3 363.841 4.032 20 0 FIADHM O=C(Nc1cccc(O)c1)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000477279380 1103302580 /nfs/dbraw/zinc/30/25/80/1103302580.db2.gz QUKBNAQEJMHYGS-UHFFFAOYSA-N -1 3 372.380 4.278 20 0 FIADHM O=c1ccnc(C(=Cc2cnc(-c3ccccn3)s2)Cc2ccccc2)[n-]1 ZINC000427290085 1103415537 /nfs/dbraw/zinc/41/55/37/1103415537.db2.gz YHODDDWGBVXATC-SSZFMOIBSA-N -1 3 372.453 4.484 20 0 FIADHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c3ccccc3c1=O)CCC2 ZINC000477461746 1103525338 /nfs/dbraw/zinc/52/53/38/1103525338.db2.gz WUEGBKZQXUDNRW-NRFANRHFSA-N -1 3 360.457 4.459 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(Cl)cc1F ZINC000507619351 1103553866 /nfs/dbraw/zinc/55/38/66/1103553866.db2.gz GNVXESFUSMXWDL-UHFFFAOYSA-N -1 3 356.781 4.209 20 0 FIADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)c([O-])c1 ZINC000440653842 1103857537 /nfs/dbraw/zinc/85/75/37/1103857537.db2.gz KLMKWNCEQVHSBJ-LBPRGKRZSA-N -1 3 369.396 4.196 20 0 FIADHM O=S(=O)([N-]Cc1c(F)cccc1Cl)c1c(Cl)cccc1Cl ZINC000519889917 1103926816 /nfs/dbraw/zinc/92/68/16/1103926816.db2.gz VGSDTEHYDWSAGV-UHFFFAOYSA-N -1 3 368.644 4.264 20 0 FIADHM Cc1cccc(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000519945822 1103963318 /nfs/dbraw/zinc/96/33/18/1103963318.db2.gz RMANWZOSDMJMDM-UHFFFAOYSA-N -1 3 362.433 4.130 20 0 FIADHM CCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CCCCC1 ZINC000519946243 1103965085 /nfs/dbraw/zinc/96/50/85/1103965085.db2.gz LHVRJDVBODAFMY-UHFFFAOYSA-N -1 3 354.454 4.344 20 0 FIADHM CCOc1ccc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000440980690 1104054502 /nfs/dbraw/zinc/05/45/02/1104054502.db2.gz GUFTUNBYMZKRQX-UHFFFAOYSA-N -1 3 353.340 4.381 20 0 FIADHM CCN(C)[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000440988773 1104063309 /nfs/dbraw/zinc/06/33/09/1104063309.db2.gz RIFGBONMEZNHOM-INIZCTEOSA-N -1 3 352.356 4.043 20 0 FIADHM COc1ccc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1F ZINC000441004714 1104069757 /nfs/dbraw/zinc/06/97/57/1104069757.db2.gz QUBMELYHWUGCMS-UHFFFAOYSA-N -1 3 357.303 4.130 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1C ZINC000538299293 1104119404 /nfs/dbraw/zinc/11/94/04/1104119404.db2.gz WJNVPUAGEIPGPO-UHFFFAOYSA-N -1 3 351.493 4.143 20 0 FIADHM CSCCc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001143581865 1104379318 /nfs/dbraw/zinc/37/93/18/1104379318.db2.gz BALRDHKVKZAMBI-UHFFFAOYSA-N -1 3 366.280 4.313 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3ncsc3c2)sc1Cl ZINC000473941953 1104453052 /nfs/dbraw/zinc/45/30/52/1104453052.db2.gz QGQJEVAHFDCXCR-SECBINFHSA-N -1 3 372.924 4.359 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccsc1)c1ccc(Cl)cc1)c1ccco1 ZINC000188632066 1104745495 /nfs/dbraw/zinc/74/54/95/1104745495.db2.gz IJIHMDALDONCBP-OAHLLOKOSA-N -1 3 353.852 4.062 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000536355907 1104791054 /nfs/dbraw/zinc/79/10/54/1104791054.db2.gz QKTWMZNMMLTYCR-UHFFFAOYSA-N -1 3 364.367 4.078 20 0 FIADHM CC(C)Oc1cccc(CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000520554428 1104992305 /nfs/dbraw/zinc/99/23/05/1104992305.db2.gz NXWPNAUXAMPAKE-UHFFFAOYSA-N -1 3 364.239 4.123 20 0 FIADHM O=C([O-])C[C@H](CNCc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F ZINC000417628497 1105027365 /nfs/dbraw/zinc/02/73/65/1105027365.db2.gz PHOBKVGAJGKEEA-SECBINFHSA-N -1 3 363.685 4.102 20 0 FIADHM Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000614658865 1105145403 /nfs/dbraw/zinc/14/54/03/1105145403.db2.gz ZOCBBJMCTCNCHV-OAHLLOKOSA-N -1 3 353.466 4.227 20 0 FIADHM CCc1noc(C)c1C(=O)[N-]c1nnc([C@@H](CC)c2ccccc2)s1 ZINC000520728441 1105168914 /nfs/dbraw/zinc/16/89/14/1105168914.db2.gz BFNCFKJCTXKGTN-ZDUSSCGKSA-N -1 3 356.451 4.191 20 0 FIADHM CC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1Cl ZINC000507906590 1105269048 /nfs/dbraw/zinc/26/90/48/1105269048.db2.gz RTVNYJDHWUURLI-UHFFFAOYSA-N -1 3 372.273 4.180 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cnc2ccccc2c1C(F)(F)F ZINC000427949097 1105324432 /nfs/dbraw/zinc/32/44/32/1105324432.db2.gz HUYVTCORDIKDQG-UHFFFAOYSA-N -1 3 364.298 4.028 20 0 FIADHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC000182629793 1106771503 /nfs/dbraw/zinc/77/15/03/1106771503.db2.gz JHCSBQVNHJSAMJ-UHFFFAOYSA-N -1 3 360.457 4.024 20 0 FIADHM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc([O-])ccc1Cl ZINC000391512915 1106869159 /nfs/dbraw/zinc/86/91/59/1106869159.db2.gz GXYOJKQKMLFOMO-UHFFFAOYSA-N -1 3 353.827 4.153 20 0 FIADHM CCC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(C)(C)C ZINC001211897558 1106888129 /nfs/dbraw/zinc/88/81/29/1106888129.db2.gz YYHRQVYVFFNJNO-LLVKDONJSA-N -1 3 368.362 4.312 20 0 FIADHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cc(Cl)ccc1OCC1CC1 ZINC000530175510 1106905230 /nfs/dbraw/zinc/90/52/30/1106905230.db2.gz QAGUNJNKVXUESE-STQMWFEESA-N -1 3 351.874 4.202 20 0 FIADHM CCc1ccc(-c2nc(CN3[C@H](C)CC(C(=O)[O-])C[C@H]3C)cs2)cc1 ZINC000530179050 1106906353 /nfs/dbraw/zinc/90/63/53/1106906353.db2.gz LCVFMEIWRTZQIT-ZIAGYGMSSA-N -1 3 358.507 4.446 20 0 FIADHM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451255655 1106993456 /nfs/dbraw/zinc/99/34/56/1106993456.db2.gz NODSOKSRVPXXGH-UHFFFAOYSA-N -1 3 369.358 4.230 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)Cc3ccc(C)s3)nc2)n1 ZINC000301363829 1107004886 /nfs/dbraw/zinc/00/48/86/1107004886.db2.gz NCGWWQQAOSXTJO-GFCCVEGCSA-N -1 3 354.479 4.220 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](C)c3ccccc3F)nc2)n1 ZINC000301558970 1107070001 /nfs/dbraw/zinc/07/00/01/1107070001.db2.gz XISNGANWZFTHSN-ZDUSSCGKSA-N -1 3 352.413 4.143 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](c3ncc(C)s3)C3CC3)nc2)n1 ZINC000301588403 1107078138 /nfs/dbraw/zinc/07/81/38/1107078138.db2.gz PUIWIOSRXOPVAI-KRWDZBQOSA-N -1 3 367.478 4.135 20 0 FIADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(F)c(F)c1 ZINC000531015106 1107464661 /nfs/dbraw/zinc/46/46/61/1107464661.db2.gz CUJOQQIXCXCPCD-MRVPVSSYSA-N -1 3 356.166 4.175 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c1 ZINC000444403621 1107555496 /nfs/dbraw/zinc/55/54/96/1107555496.db2.gz IDDPJIKKPCTHTM-BFUOFWGJSA-N -1 3 359.853 4.210 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1C ZINC000614742701 1107569341 /nfs/dbraw/zinc/56/93/41/1107569341.db2.gz YNIJVKWPIACTPK-UHFFFAOYSA-N -1 3 362.476 4.031 20 0 FIADHM CC(C)(C)Cc1nc(-c2cccc(C(=O)Nc3cc(F)ccc3[O-])c2)no1 ZINC000531135528 1107570770 /nfs/dbraw/zinc/57/07/70/1107570770.db2.gz YZGFZKJWVAIMRP-UHFFFAOYSA-N -1 3 369.396 4.422 20 0 FIADHM O=C(CCc1c[nH]c2ccccc12)Nc1cc(Br)ccc1[O-] ZINC000531155463 1107613276 /nfs/dbraw/zinc/61/32/76/1107613276.db2.gz NJPBMSZRBMSGMF-UHFFFAOYSA-N -1 3 359.223 4.207 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)c(C)c1 ZINC000614775211 1107753705 /nfs/dbraw/zinc/75/37/05/1107753705.db2.gz OJEQZBUCEHAZIE-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)c1 ZINC000261413930 1107789895 /nfs/dbraw/zinc/78/98/95/1107789895.db2.gz BLGKJZQPKXAWRW-ZDUSSCGKSA-N -1 3 372.490 4.342 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCc4ccccc4[C@H]3C)cc2)cc(=O)[n-]1 ZINC000531365897 1107803986 /nfs/dbraw/zinc/80/39/86/1107803986.db2.gz DUQUBDYVRHSRGA-CQSZACIVSA-N -1 3 374.444 4.309 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(Br)cc3C)no2)c1[O-] ZINC000389472772 1107872485 /nfs/dbraw/zinc/87/24/85/1107872485.db2.gz NSFOVEOBTKFWJL-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000666001705 1107880229 /nfs/dbraw/zinc/88/02/29/1107880229.db2.gz PGMZIOCULVRVAB-JQHSSLGASA-N -1 3 360.457 4.230 20 0 FIADHM CCCCn1cc(C(=O)Nc2c([O-])ccc(Br)c2C)c(C)n1 ZINC000452746924 1107930186 /nfs/dbraw/zinc/93/01/86/1107930186.db2.gz GVYUBTNXLUASTC-UHFFFAOYSA-N -1 3 366.259 4.020 20 0 FIADHM CO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1(C)C ZINC000452837162 1107985831 /nfs/dbraw/zinc/98/58/31/1107985831.db2.gz BDEJWLSDTZJVOQ-LJQANCHMSA-N -1 3 355.434 4.072 20 0 FIADHM Cc1ccc(F)c(CN(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000444736704 1108123913 /nfs/dbraw/zinc/12/39/13/1108123913.db2.gz ANOZGIHCAUURMN-UHFFFAOYSA-N -1 3 351.381 4.161 20 0 FIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)cc1 ZINC000523458699 1108234918 /nfs/dbraw/zinc/23/49/18/1108234918.db2.gz UQCTUCCLGXGIKT-UHFFFAOYSA-N -1 3 373.478 4.013 20 0 FIADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000523509997 1108271907 /nfs/dbraw/zinc/27/19/07/1108271907.db2.gz HPBZNVUDVAXFKX-LLVKDONJSA-N -1 3 370.346 4.453 20 0 FIADHM COc1ccccc1C(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000532029394 1108541787 /nfs/dbraw/zinc/54/17/87/1108541787.db2.gz BLAJMXHIJXUYLP-UHFFFAOYSA-N -1 3 364.239 4.080 20 0 FIADHM CCOc1cc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)cc(Cl)c1[O-] ZINC000445431719 1108741718 /nfs/dbraw/zinc/74/17/18/1108741718.db2.gz PTWUGQWYHHJGGO-UHFFFAOYSA-N -1 3 372.768 4.144 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(-c3cccc(C)c3)cc2)c1 ZINC000524121515 1108843420 /nfs/dbraw/zinc/84/34/20/1108843420.db2.gz ORIURKZHQGUMPR-UHFFFAOYSA-N -1 3 374.440 4.256 20 0 FIADHM Cc1cccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)c1 ZINC000445874940 1109030295 /nfs/dbraw/zinc/03/02/95/1109030295.db2.gz ILRUFEYMZWFOIM-HNNXBMFYSA-N -1 3 364.323 4.165 20 0 FIADHM Cc1nc2cc([N-]S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)ccc2o1 ZINC000446816614 1109344169 /nfs/dbraw/zinc/34/41/69/1109344169.db2.gz CNYAPVHYYJSXHI-UHFFFAOYSA-N -1 3 371.245 4.385 20 0 FIADHM Cc1ccc([C@]2(C)CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)cc1 ZINC000447693885 1109622407 /nfs/dbraw/zinc/62/24/07/1109622407.db2.gz FIOUUVYWAKRDRH-JOCHJYFZSA-N -1 3 355.453 4.353 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000447877020 1109665076 /nfs/dbraw/zinc/66/50/76/1109665076.db2.gz GTBHYUJGCIAKKL-SJORKVTESA-N -1 3 363.461 4.481 20 0 FIADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1cc(F)cc(Br)c1 ZINC000447877110 1109665555 /nfs/dbraw/zinc/66/55/55/1109665555.db2.gz CQYBCQCPIHWZNA-HZMBPMFUSA-N -1 3 368.250 4.194 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H]3CCC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000527031521 1109672509 /nfs/dbraw/zinc/67/25/09/1109672509.db2.gz LJRAXTXSTFCJCK-INIZCTEOSA-N -1 3 354.454 4.200 20 0 FIADHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527175931 1109709310 /nfs/dbraw/zinc/70/93/10/1109709310.db2.gz KLCCVQBSTVGAHP-IYJVBRSBSA-N -1 3 367.470 4.116 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@@H](C)CC3)cc2)cc(=O)[n-]1 ZINC000527488369 1109767065 /nfs/dbraw/zinc/76/70/65/1109767065.db2.gz DXFJPCKOWCJZSZ-CZUORRHYSA-N -1 3 354.454 4.248 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2F)on1)c1ccc(F)c(Cl)c1F ZINC000448488951 1109807010 /nfs/dbraw/zinc/80/70/10/1109807010.db2.gz FNYCCXRDZUELIN-UHFFFAOYSA-N -1 3 352.699 4.087 20 0 FIADHM CC(C)c1cc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)nn1C(C)(C)C ZINC000448540141 1109818029 /nfs/dbraw/zinc/81/80/29/1109818029.db2.gz ZDVBQKVESVHLCE-UHFFFAOYSA-N -1 3 370.428 4.230 20 0 FIADHM O=C(N[C@@H](c1cccs1)C1CC1)c1cc([O-])cc(Br)c1 ZINC000527784139 1109823581 /nfs/dbraw/zinc/82/35/81/1109823581.db2.gz ANRDMTYLYYWABN-CQSZACIVSA-N -1 3 352.253 4.097 20 0 FIADHM O=c1[n-]c(CN[C@@H](c2ccccn2)C2CCC2)nc2c3ccccc3oc21 ZINC000528660393 1110065642 /nfs/dbraw/zinc/06/56/42/1110065642.db2.gz SECPRXDQNAIHFZ-GOSISDBHSA-N -1 3 360.417 4.108 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CC=CCC3)cc2)cc(=O)[n-]1 ZINC000528918050 1110151307 /nfs/dbraw/zinc/15/13/07/1110151307.db2.gz NVWPALICNARDDJ-HNNXBMFYSA-N -1 3 352.438 4.026 20 0 FIADHM O=C(c1cc([O-])cc(Br)c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000529464699 1110273297 /nfs/dbraw/zinc/27/32/97/1110273297.db2.gz RSBQDYWDVFUFPV-OAHLLOKOSA-N -1 3 362.223 4.115 20 0 FIADHM CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Cl)c1[O-] ZINC000007717958 1110296753 /nfs/dbraw/zinc/29/67/53/1110296753.db2.gz LJFUZHQGEIOPPH-VMPITWQZSA-N -1 3 362.809 4.358 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc(C2CCOCC2)c1 ZINC000529936372 1110339732 /nfs/dbraw/zinc/33/97/32/1110339732.db2.gz TWXGHZCWXGVNSC-UHFFFAOYSA-N -1 3 357.425 4.387 20 0 FIADHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000529945148 1110344771 /nfs/dbraw/zinc/34/47/71/1110344771.db2.gz KLBHDZYUQDKGGW-QGZVFWFLSA-N -1 3 364.420 4.076 20 0 FIADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000461435550 1111220525 /nfs/dbraw/zinc/22/05/25/1111220525.db2.gz YEDRHUOKUMJYRR-ADYAMRHXSA-N -1 3 366.848 4.309 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)c1 ZINC000538741322 1111274149 /nfs/dbraw/zinc/27/41/49/1111274149.db2.gz QELQJKUBDSYACQ-LJQANCHMSA-N -1 3 363.461 4.302 20 0 FIADHM CCc1cccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1[O-] ZINC000538781916 1111297913 /nfs/dbraw/zinc/29/79/13/1111297913.db2.gz FJSDFYHQKQIQMJ-UHFFFAOYSA-N -1 3 353.462 4.145 20 0 FIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc3ccccc31)c2=O ZINC000538967847 1111362020 /nfs/dbraw/zinc/36/20/20/1111362020.db2.gz BPYVPBYGXRZQGU-UHFFFAOYSA-N -1 3 362.360 4.081 20 0 FIADHM O=C([N-]c1nc2ccc(Cl)cc2s1)c1cc(-c2ccccn2)no1 ZINC000462118734 1111504096 /nfs/dbraw/zinc/50/40/96/1111504096.db2.gz FBRKMPZURHWPPU-UHFFFAOYSA-N -1 3 356.794 4.252 20 0 FIADHM CC[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(OC)cc1 ZINC000539384029 1111546112 /nfs/dbraw/zinc/54/61/12/1111546112.db2.gz BTJVUXWQUXCUCZ-AWEZNQCLSA-N -1 3 364.239 4.296 20 0 FIADHM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)s1 ZINC000615153087 1111569014 /nfs/dbraw/zinc/56/90/14/1111569014.db2.gz AIIMHQLVCAJFDF-UHFFFAOYSA-N -1 3 362.455 4.351 20 0 FIADHM CCCCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1OC ZINC000552288432 1111651582 /nfs/dbraw/zinc/65/15/82/1111651582.db2.gz VWRJPZXQQZPIKH-UHFFFAOYSA-N -1 3 357.406 4.035 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000552393832 1111691650 /nfs/dbraw/zinc/69/16/50/1111691650.db2.gz OCDWSJGTELGLFN-YUMQZZPRSA-N -1 3 352.150 4.072 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1cnn(Cc2ccccc2Cl)c1 ZINC000552433468 1111705042 /nfs/dbraw/zinc/70/50/42/1111705042.db2.gz KXCWZZWDSNFTTC-UHFFFAOYSA-N -1 3 362.216 4.196 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1cnn2c1nccc2-c1ccccc1 ZINC000552433627 1111705765 /nfs/dbraw/zinc/70/57/65/1111705765.db2.gz UANBMNNNOSJPTJ-UHFFFAOYSA-N -1 3 364.792 4.008 20 0 FIADHM Cc1cc(C)n(-c2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2F)n1 ZINC000552782265 1111811187 /nfs/dbraw/zinc/81/11/87/1111811187.db2.gz CJXAGLZTEGSGLQ-UHFFFAOYSA-N -1 3 359.788 4.240 20 0 FIADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2C1 ZINC000479139391 1111952538 /nfs/dbraw/zinc/95/25/38/1111952538.db2.gz AOVQXVINUCFPQJ-INIZCTEOSA-N -1 3 358.507 4.300 20 0 FIADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2C1 ZINC000479148172 1111955666 /nfs/dbraw/zinc/95/56/66/1111955666.db2.gz PPKVBHKUQZGYRV-OAHLLOKOSA-N -1 3 374.506 4.000 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1F ZINC000479560739 1112072111 /nfs/dbraw/zinc/07/21/11/1112072111.db2.gz WFMNNSXAFFKUGU-UHFFFAOYSA-N -1 3 367.442 4.039 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)sc1C ZINC000553904824 1112126484 /nfs/dbraw/zinc/12/64/84/1112126484.db2.gz GIDHGDPGHQCLSZ-VXGBXAGGSA-N -1 3 355.447 4.012 20 0 FIADHM C[C@@H](c1ccccc1Cl)N(C(=O)N=c1cc2ccccn2[n-]1)C1CC1 ZINC000554416417 1112337985 /nfs/dbraw/zinc/33/79/85/1112337985.db2.gz ZZWNWDUMFJINBX-ZDUSSCGKSA-N -1 3 354.841 4.167 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000554416691 1112338185 /nfs/dbraw/zinc/33/81/85/1112338185.db2.gz GVFPFEILRHXPRI-SNGWPZLWSA-N -1 3 366.490 4.308 20 0 FIADHM CCc1c([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)cnn1C(CC)CC ZINC000480244922 1112341521 /nfs/dbraw/zinc/34/15/21/1112341521.db2.gz HUTSWOHARZJCBZ-OAHLLOKOSA-N -1 3 363.527 4.352 20 0 FIADHM CC(C)(C)OC(=O)c1cc([N-]C(=O)c2nc(Cl)sc2Cl)ccn1 ZINC000898617543 1112343048 /nfs/dbraw/zinc/34/30/48/1112343048.db2.gz PHMHFQMKVTYJRJ-UHFFFAOYSA-N -1 3 374.249 4.053 20 0 FIADHM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC000554846885 1112527500 /nfs/dbraw/zinc/52/75/00/1112527500.db2.gz LAXMNAYGNLZSEL-SFHVURJKSA-N -1 3 351.377 4.110 20 0 FIADHM O=C([N-]c1c(F)cccc1Br)c1ncsc1C(F)(F)F ZINC000554907573 1112564333 /nfs/dbraw/zinc/56/43/33/1112564333.db2.gz VEESGBUUVWGNIF-UHFFFAOYSA-N -1 3 369.137 4.316 20 0 FIADHM CN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000899165698 1112641296 /nfs/dbraw/zinc/64/12/96/1112641296.db2.gz QFZDETZXFOIIOA-SUMWQHHRSA-N -1 3 362.420 4.093 20 0 FIADHM O=S(=O)([N-]CCc1ccccc1Cl)c1c(Cl)cccc1Cl ZINC000065794851 1112947156 /nfs/dbraw/zinc/94/71/56/1112947156.db2.gz NRHAZCNXHHDDAP-UHFFFAOYSA-N -1 3 364.681 4.168 20 0 FIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3(C(F)(F)F)CCCC3)c2)n1 ZINC000842311956 1112955918 /nfs/dbraw/zinc/95/59/18/1112955918.db2.gz DDBZZWWABSLLSA-UHFFFAOYSA-N -1 3 366.339 4.186 20 0 FIADHM COC(=O)c1sc2[n-]c(CS[C@@H](C)c3ccccc3)nc(=O)c2c1C ZINC000600604482 1113104689 /nfs/dbraw/zinc/10/46/89/1113104689.db2.gz ICVUHFDVYHDRFU-NSHDSACASA-N -1 3 374.487 4.074 20 0 FIADHM CC1(C)CO[C@@H](c2ccccc2)CN1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000568060867 1113349749 /nfs/dbraw/zinc/34/97/49/1113349749.db2.gz RAGCOUIONYODEX-VQTJNVASSA-N -1 3 353.462 4.097 20 0 FIADHM O=c1cc(C=Cc2cccc(OC3CCCC3)c2)nc(-c2ccncc2)[n-]1 ZINC000486004105 1113487411 /nfs/dbraw/zinc/48/74/11/1113487411.db2.gz TTYLTSVALPETAR-CMDGGOBGSA-N -1 3 359.429 4.324 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc2c(F)cccc2c1 ZINC000486096284 1113504345 /nfs/dbraw/zinc/50/43/45/1113504345.db2.gz NNAXOXZNWDMEBN-UHFFFAOYSA-N -1 3 350.271 4.351 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000486116938 1113505695 /nfs/dbraw/zinc/50/56/95/1113505695.db2.gz OFEJHWHPAORAMR-UHFFFAOYSA-N -1 3 369.223 4.106 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc2c(F)ccc(F)c2c1 ZINC000486109617 1113507528 /nfs/dbraw/zinc/50/75/28/1113507528.db2.gz XNPQKYZWUJXRIJ-UHFFFAOYSA-N -1 3 368.261 4.490 20 0 FIADHM Cc1ccc([C@@H](Cn2ccnc2)NC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000486636831 1113608666 /nfs/dbraw/zinc/60/86/66/1113608666.db2.gz ALZSCFTYXKSTMO-LJQANCHMSA-N -1 3 369.852 4.030 20 0 FIADHM Cc1ccc([C@H](Cn2ccnc2)NC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000486636830 1113608831 /nfs/dbraw/zinc/60/88/31/1113608831.db2.gz ALZSCFTYXKSTMO-IBGZPJMESA-N -1 3 369.852 4.030 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(c2cccnc2)CCCC1 ZINC000486992672 1113693134 /nfs/dbraw/zinc/69/31/34/1113693134.db2.gz CUYQLYRFHFVJMQ-UHFFFAOYSA-N -1 3 350.340 4.257 20 0 FIADHM CCN(CC)[C@@H](CNc1ccc(C(=O)[O-])c(C)n1)c1ccccc1Cl ZINC000910276446 1113845368 /nfs/dbraw/zinc/84/53/68/1113845368.db2.gz FKGRLGJIASJRAR-KRWDZBQOSA-N -1 3 361.873 4.237 20 0 FIADHM Cc1noc([N-]C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)n1 ZINC000042703727 1113900548 /nfs/dbraw/zinc/90/05/48/1113900548.db2.gz CGTSBFCTCCGSEO-UHFFFAOYSA-N -1 3 368.340 4.081 20 0 FIADHM C[C@]1(C(=O)NCc2ccc([O-])c(Br)c2)CCCc2ccccc21 ZINC000488665969 1113968934 /nfs/dbraw/zinc/96/89/34/1113968934.db2.gz NMZXTWGFMZFJNH-IBGZPJMESA-N -1 3 374.278 4.065 20 0 FIADHM Cc1ccc2oc(C(=O)NCc3ccc([O-])c(Br)c3)cc2c1 ZINC000488689840 1113973366 /nfs/dbraw/zinc/97/33/66/1113973366.db2.gz XLKZDYNGVFACRK-UHFFFAOYSA-N -1 3 360.207 4.139 20 0 FIADHM C[C@H]1CCc2onc(C(=O)[N-]c3cc(F)cc(Br)c3F)c2C1 ZINC000489374706 1114097481 /nfs/dbraw/zinc/09/74/81/1114097481.db2.gz GPTNIHZZIIUCCJ-ZETCQYMHSA-N -1 3 371.181 4.092 20 0 FIADHM O=C(C[C@@H](c1ccccc1)C(F)(F)F)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000490163065 1114227870 /nfs/dbraw/zinc/22/78/70/1114227870.db2.gz ZRCWVHLZPGFLPL-HNNXBMFYSA-N -1 3 359.351 4.173 20 0 FIADHM CC(C)O[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000490667703 1114314691 /nfs/dbraw/zinc/31/46/91/1114314691.db2.gz FCDSDEMQUGUPPN-MRXNPFEDSA-N -1 3 364.239 4.260 20 0 FIADHM O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)c1cccc2n[n-]nc21 ZINC000570877141 1114380500 /nfs/dbraw/zinc/38/05/00/1114380500.db2.gz GLQBRPVGLOQTSI-MRXNPFEDSA-N -1 3 368.849 4.192 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)c2ccccc21 ZINC000572301864 1114627389 /nfs/dbraw/zinc/62/73/89/1114627389.db2.gz RAZSNIZHMOBCEL-NSHDSACASA-N -1 3 367.836 4.357 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2cccc3ccccc32)n1 ZINC000588916203 1114673593 /nfs/dbraw/zinc/67/35/93/1114673593.db2.gz GEJCUAJAVSTHIT-CYBMUJFWSA-N -1 3 367.474 4.158 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(Cc2ccc(F)cc2)n1 ZINC000588926219 1114675478 /nfs/dbraw/zinc/67/54/78/1114675478.db2.gz SDJCQTUTHCEZMB-UHFFFAOYSA-N -1 3 362.813 4.484 20 0 FIADHM Cc1ccccc1-c1nc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cs1 ZINC000589688065 1114827860 /nfs/dbraw/zinc/82/78/60/1114827860.db2.gz BUFFLCURUJKKCG-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM CSc1nc(NC(=O)c2ccc(CSc3ccccc3)cc2)n[n-]1 ZINC000589694631 1114829063 /nfs/dbraw/zinc/82/90/63/1114829063.db2.gz PRLTWUNXKRGGJF-UHFFFAOYSA-N -1 3 356.476 4.071 20 0 FIADHM O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000572983246 1114941023 /nfs/dbraw/zinc/94/10/23/1114941023.db2.gz LQWBCWXDMNREEN-LJQANCHMSA-N -1 3 371.440 4.144 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000590800003 1114976682 /nfs/dbraw/zinc/97/66/82/1114976682.db2.gz MSAJZKBLHMOLHR-MSOLQXFVSA-N -1 3 368.481 4.494 20 0 FIADHM CC[C@@H](C)N(OC)C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760858400 1115119172 /nfs/dbraw/zinc/11/91/72/1115119172.db2.gz CWJQBHSXKMHGES-CQSZACIVSA-N -1 3 366.417 4.123 20 0 FIADHM Cc1ccc(Cl)c2sc(NC(=O)c3c[n-]c4ccccc4c3=O)nc21 ZINC000573993376 1115228616 /nfs/dbraw/zinc/22/86/16/1115228616.db2.gz HWCIIBWKTSXJQP-UHFFFAOYSA-N -1 3 369.833 4.352 20 0 FIADHM CC(C)(c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1)C(F)(F)F ZINC000760990308 1115251411 /nfs/dbraw/zinc/25/14/11/1115251411.db2.gz MQBUOCBZIFSNHU-LFIBNONCSA-N -1 3 374.362 4.250 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3C3CCC3)cc2)cc(=O)[n-]1 ZINC000646229481 1115539967 /nfs/dbraw/zinc/53/99/67/1115539967.db2.gz HDLQELNMVPDFNN-LJQANCHMSA-N -1 3 366.465 4.344 20 0 FIADHM Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000596754555 1115613052 /nfs/dbraw/zinc/61/30/52/1115613052.db2.gz PRKNBBCNFCIXFO-UHFFFAOYSA-N -1 3 373.865 4.271 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(C(C)C)cc3)nc2)n1 ZINC000597895787 1115694370 /nfs/dbraw/zinc/69/43/70/1115694370.db2.gz LKDMHJGEFFVUJH-UHFFFAOYSA-N -1 3 362.477 4.007 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(C)c3F)nc(=O)c2c1C ZINC000761283867 1115737850 /nfs/dbraw/zinc/73/78/50/1115737850.db2.gz TZASHRHURNKDCT-JTQLQIEISA-N -1 3 360.410 4.379 20 0 FIADHM CCCCCc1nnc([N-]C(=O)c2csc(Nc3ccccn3)n2)s1 ZINC000605505397 1115900361 /nfs/dbraw/zinc/90/03/61/1115900361.db2.gz UJKMZEHXBLEWCX-UHFFFAOYSA-N -1 3 374.495 4.118 20 0 FIADHM Cc1ccc(C)c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1 ZINC000605494179 1115904159 /nfs/dbraw/zinc/90/41/59/1115904159.db2.gz MOKIWFHFOSQGCJ-GFCCVEGCSA-N -1 3 351.855 4.081 20 0 FIADHM Cc1ccc(C)c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1 ZINC000605494182 1115904249 /nfs/dbraw/zinc/90/42/49/1115904249.db2.gz MOKIWFHFOSQGCJ-LBPRGKRZSA-N -1 3 351.855 4.081 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1C ZINC000605495852 1115904408 /nfs/dbraw/zinc/90/44/08/1115904408.db2.gz ZWCIIJRTWHQRRK-NSHDSACASA-N -1 3 351.855 4.081 20 0 FIADHM CCCCc1ccc(C(=O)CCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606536907 1115953943 /nfs/dbraw/zinc/95/39/43/1115953943.db2.gz YBTBKOJKVMMZJL-UHFFFAOYSA-N -1 3 357.425 4.153 20 0 FIADHM C[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1c(Cl)cccc1Cl ZINC000606666061 1115961905 /nfs/dbraw/zinc/96/19/05/1115961905.db2.gz CPZYDRYLTRSHCL-SNVBAGLBSA-N -1 3 371.239 4.441 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000606669784 1115962170 /nfs/dbraw/zinc/96/21/70/1115962170.db2.gz GYMDEEQQLCBRID-PKOBYXMFSA-N -1 3 356.441 4.132 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000606714786 1115965520 /nfs/dbraw/zinc/96/55/20/1115965520.db2.gz IPBGYOCZQDNFCV-HNNXBMFYSA-N -1 3 362.832 4.101 20 0 FIADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1ccc2c(c1)CCCC2 ZINC000606754320 1115967576 /nfs/dbraw/zinc/96/75/76/1115967576.db2.gz SHUGXGLXBSYIET-UHFFFAOYSA-N -1 3 374.481 4.106 20 0 FIADHM O=S(=O)([N-]c1ccc(COC2CCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000606828386 1115974009 /nfs/dbraw/zinc/97/40/09/1115974009.db2.gz QLFSQTACZQZBJQ-UHFFFAOYSA-N -1 3 371.502 4.435 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1C ZINC000607615602 1116049314 /nfs/dbraw/zinc/04/93/14/1116049314.db2.gz FGABWHJPECAWMQ-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@@]3(C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000608283058 1116096335 /nfs/dbraw/zinc/09/63/35/1116096335.db2.gz AOKWBGOFPMFXNT-KNQAVFIVSA-N -1 3 374.444 4.009 20 0 FIADHM COc1cc(-c2nc3cc(Br)ccc3[nH]2)cc(Cl)c1[O-] ZINC000534628732 1116221080 /nfs/dbraw/zinc/22/10/80/1116221080.db2.gz PTBBSMPXUBCWSL-UHFFFAOYSA-N -1 3 353.603 4.360 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(Br)s2)c(F)c1 ZINC000534802899 1116239739 /nfs/dbraw/zinc/23/97/39/1116239739.db2.gz RYZMIXDWQSMUQO-UHFFFAOYSA-N -1 3 360.179 4.244 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2cc(Br)cs2)c1F ZINC000535483763 1116312620 /nfs/dbraw/zinc/31/26/20/1116312620.db2.gz QDMOQHPTVVLKKX-UHFFFAOYSA-N -1 3 362.195 4.440 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2csc(Cc3ccccc3)n2)c(F)c1 ZINC000535513234 1116314224 /nfs/dbraw/zinc/31/42/24/1116314224.db2.gz FCOWWRVXRMWPPS-UHFFFAOYSA-N -1 3 372.396 4.467 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c(C)o1 ZINC000539553910 1116344858 /nfs/dbraw/zinc/34/48/58/1116344858.db2.gz FJGYGRUZIZLMPX-UHFFFAOYSA-N -1 3 364.648 4.113 20 0 FIADHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccccc2C)s1 ZINC000462484343 1116358992 /nfs/dbraw/zinc/35/89/92/1116358992.db2.gz JVKGQNZAVKONJO-LLVKDONJSA-N -1 3 374.325 4.167 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)c1[O-] ZINC000539840502 1116391366 /nfs/dbraw/zinc/39/13/66/1116391366.db2.gz AJLMMRRTRRIYMC-LJQANCHMSA-N -1 3 363.461 4.302 20 0 FIADHM Cc1ncn(-c2ccc(NC(=O)CCCc3ccc([O-])c(F)c3)cc2)c1C ZINC000462771673 1117768284 /nfs/dbraw/zinc/76/82/84/1117768284.db2.gz CYDORCOPQWWALN-UHFFFAOYSA-N -1 3 367.424 4.295 20 0 FIADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(Br)cc1[O-] ZINC000540496689 1118093259 /nfs/dbraw/zinc/09/32/59/1118093259.db2.gz POTXYYGVBRNVCQ-UHFFFAOYSA-N -1 3 359.223 4.207 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3/C=C\c3ccccc3)nc2)n1 ZINC000540940396 1118321631 /nfs/dbraw/zinc/32/16/31/1118321631.db2.gz JJQINVJPATURRQ-QXHGNLAOSA-N -1 3 372.472 4.489 20 0 FIADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ncn(C(C)(C)C)n1 ZINC000464055953 1118420006 /nfs/dbraw/zinc/42/00/06/1118420006.db2.gz BRQCPUGWLMSRNR-UHFFFAOYSA-N -1 3 352.891 4.439 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000541245550 1118445381 /nfs/dbraw/zinc/44/53/81/1118445381.db2.gz ABRNGMDFHVPLKA-UHFFFAOYSA-N -1 3 369.223 4.327 20 0 FIADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000464270698 1118498842 /nfs/dbraw/zinc/49/88/42/1118498842.db2.gz ATHXVIZITKGHEZ-UHFFFAOYSA-N -1 3 367.352 4.458 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2sc(C(C)(C)OC)nc2C)c1F ZINC000464396877 1118544614 /nfs/dbraw/zinc/54/46/14/1118544614.db2.gz KIVJJQBEDYXFAQ-UHFFFAOYSA-N -1 3 370.421 4.262 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1[O-] ZINC000301999872 1118590316 /nfs/dbraw/zinc/59/03/16/1118590316.db2.gz UQBMDAKRMYBJNG-UHFFFAOYSA-N -1 3 365.414 4.029 20 0 FIADHM COc1ccc(-c2ncc(C(=O)[N-]c3nnc(CC(C)C)s3)s2)cc1 ZINC000173731661 1119066677 /nfs/dbraw/zinc/06/66/77/1119066677.db2.gz NDBMHQPFCMYQTQ-UHFFFAOYSA-N -1 3 374.491 4.121 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2csc(-c3ccccc3OC)n2)n1 ZINC000177970274 1119362908 /nfs/dbraw/zinc/36/29/08/1119362908.db2.gz ZRPPKBNOQTXFCS-UHFFFAOYSA-N -1 3 373.503 4.310 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(COc2ccccc2F)on1 ZINC000184763770 1119545055 /nfs/dbraw/zinc/54/50/55/1119545055.db2.gz BZQDUDNXCSAZCL-UHFFFAOYSA-N -1 3 362.744 4.004 20 0 FIADHM CCOc1ccc(C(=O)N2CCCCC2)cc1NCc1cc([O-])cc(F)c1 ZINC000185600838 1119675238 /nfs/dbraw/zinc/67/52/38/1119675238.db2.gz CNYBUJRJFGCXOM-UHFFFAOYSA-N -1 3 372.440 4.168 20 0 FIADHM Cc1ccc([O-])c(CN2CCC[C@@H]2c2ccc(Br)s2)n1 ZINC000542483323 1119855318 /nfs/dbraw/zinc/85/53/18/1119855318.db2.gz OFWDWUDGSVKSHS-GFCCVEGCSA-N -1 3 353.285 4.257 20 0 FIADHM CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cccc([O-])c3F)ccc21 ZINC000153139712 1120028710 /nfs/dbraw/zinc/02/87/10/1120028710.db2.gz RIALFZGGJZSSPH-UHFFFAOYSA-N -1 3 372.396 4.081 20 0 FIADHM Cc1cn2ccnc(C(=O)[N-]c3cccc(Cl)c3SC(F)F)c2n1 ZINC000761677645 1120174342 /nfs/dbraw/zinc/17/43/42/1120174342.db2.gz GTCNEYYIPUZRGK-UHFFFAOYSA-N -1 3 368.796 4.258 20 0 FIADHM O=C(OCc1coc(-c2cccc(F)c2)n1)c1cc(Cl)c(Cl)[n-]1 ZINC000914625191 1120430524 /nfs/dbraw/zinc/43/05/24/1120430524.db2.gz VPVGLOPRSZYXFC-UHFFFAOYSA-N -1 3 355.152 4.473 20 0 FIADHM O=C(NCc1cccc(Oc2ccccc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000053510419 1120701985 /nfs/dbraw/zinc/70/19/85/1120701985.db2.gz SGTGVEXPYVEFOZ-UHFFFAOYSA-N -1 3 370.408 4.250 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc1 ZINC000232390364 1120719192 /nfs/dbraw/zinc/71/91/92/1120719192.db2.gz GKFBFYMFAWNOOX-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CN(Cc1ccccc1Br)C(=O)c1cc([O-])ccc1Cl ZINC000234313790 1120914235 /nfs/dbraw/zinc/91/42/35/1120914235.db2.gz GZIFQDKXILBVAY-UHFFFAOYSA-N -1 3 354.631 4.080 20 0 FIADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)c1C1CC1 ZINC000762476102 1120914471 /nfs/dbraw/zinc/91/44/71/1120914471.db2.gz NBJNPRVGEGYYJG-QYMJWVLRSA-N -1 3 359.495 4.453 20 0 FIADHM CC(=O)c1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000915563259 1121005016 /nfs/dbraw/zinc/00/50/16/1121005016.db2.gz CLQIBUXOVZIZFA-LLVKDONJSA-N -1 3 370.430 4.134 20 0 FIADHM CCCOc1ccc(C(F)(F)F)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000153654198 1121007319 /nfs/dbraw/zinc/00/73/19/1121007319.db2.gz HWSOCUYFDMKYBP-CQSZACIVSA-N -1 3 362.348 4.074 20 0 FIADHM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000153654198 1121007324 /nfs/dbraw/zinc/00/73/24/1121007324.db2.gz HWSOCUYFDMKYBP-CQSZACIVSA-N -1 3 362.348 4.074 20 0 FIADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153659791 1121010827 /nfs/dbraw/zinc/01/08/27/1121010827.db2.gz CIJZIYLHFNUMSD-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM O=C([N-]c1ccccc1SC(F)(F)F)c1cnn(-c2ccccc2)n1 ZINC000915655205 1121015153 /nfs/dbraw/zinc/01/51/53/1121015153.db2.gz ASVCBLCARLCFDD-UHFFFAOYSA-N -1 3 364.352 4.132 20 0 FIADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000265600496 1121060981 /nfs/dbraw/zinc/06/09/81/1121060981.db2.gz DKEWZYQWQLDKNB-QVKFZJNVSA-N -1 3 367.493 4.040 20 0 FIADHM COc1ccc(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)c([O-])c1 ZINC000030694255 1121067732 /nfs/dbraw/zinc/06/77/32/1121067732.db2.gz VDFVKSABKMHEDO-GFCCVEGCSA-N -1 3 368.458 4.324 20 0 FIADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(C(F)(F)F)c1 ZINC000032697065 1121114587 /nfs/dbraw/zinc/11/45/87/1121114587.db2.gz MRVUEECAGRCMKV-LLVKDONJSA-N -1 3 360.335 4.038 20 0 FIADHM O=C(c1cc(F)cc(Nc2cc([O-])c(F)cc2F)c1)N1CCCCC1 ZINC001212213098 1121264551 /nfs/dbraw/zinc/26/45/51/1121264551.db2.gz IJGZSOXACCEXHH-UHFFFAOYSA-N -1 3 350.340 4.179 20 0 FIADHM Cc1cc(=O)[n-]c(CS[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n1 ZINC000763213928 1121281723 /nfs/dbraw/zinc/28/17/23/1121281723.db2.gz VEYOZVLRKFMWQV-CYBMUJFWSA-N -1 3 359.495 4.049 20 0 FIADHM Cc1csc(Sc2ccc(NC([O-])=NO[C@H]3CCCCO3)cc2)n1 ZINC000763266251 1121311562 /nfs/dbraw/zinc/31/15/62/1121311562.db2.gz PQBRQAAOEVXGQN-AWEZNQCLSA-N -1 3 365.480 4.182 20 0 FIADHM Cc1csc(Sc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cc2)n1 ZINC000763266251 1121311574 /nfs/dbraw/zinc/31/15/74/1121311574.db2.gz PQBRQAAOEVXGQN-AWEZNQCLSA-N -1 3 365.480 4.182 20 0 FIADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)c1cc2ccccc2o1 ZINC000056277935 1121324048 /nfs/dbraw/zinc/32/40/48/1121324048.db2.gz SETAPWILWKGFJQ-AWEZNQCLSA-N -1 3 360.413 4.498 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000032586622 1121336729 /nfs/dbraw/zinc/33/67/29/1121336729.db2.gz PNKNBPIGVBLUMX-UHFFFAOYSA-N -1 3 361.797 4.359 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000057748401 1121379235 /nfs/dbraw/zinc/37/92/35/1121379235.db2.gz FWCSZHXKAKMWPU-UHFFFAOYSA-N -1 3 363.442 4.135 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)Nc3ccc(F)cc3)c2)n1 ZINC000916021941 1121380875 /nfs/dbraw/zinc/38/08/75/1121380875.db2.gz NPZYALNXCDDNKL-UHFFFAOYSA-N -1 3 368.437 4.360 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)N[C@H]3CCCC[C@H]3C)c2)n1 ZINC000916021851 1121381060 /nfs/dbraw/zinc/38/10/60/1121381060.db2.gz HNWPFODVPPQECX-DYVFJYSZSA-N -1 3 370.522 4.277 20 0 FIADHM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000916093821 1121406463 /nfs/dbraw/zinc/40/64/63/1121406463.db2.gz BYVXTMWNDDHHCC-HNNXBMFYSA-N -1 3 371.868 4.121 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnc(OCc2ccccc2)c1 ZINC000059987559 1121454447 /nfs/dbraw/zinc/45/44/47/1121454447.db2.gz UPBGGYSLKSBDCO-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM CC(=O)Nc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000060349322 1121467677 /nfs/dbraw/zinc/46/76/77/1121467677.db2.gz QALROMOUEGSPIT-UHFFFAOYSA-N -1 3 360.413 4.194 20 0 FIADHM O=S(=O)([N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccccc1 ZINC000060738723 1121493997 /nfs/dbraw/zinc/49/39/97/1121493997.db2.gz VNMWQTZOISGBKX-UHFFFAOYSA-N -1 3 367.405 4.170 20 0 FIADHM CCOC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1cc(C)no1 ZINC000061047332 1121505840 /nfs/dbraw/zinc/50/58/40/1121505840.db2.gz DPZHRQWZXNZLAC-UHFFFAOYSA-N -1 3 356.403 4.141 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000123480174 1121596271 /nfs/dbraw/zinc/59/62/71/1121596271.db2.gz QTOOQTBRIZOCKT-UHFFFAOYSA-N -1 3 364.883 4.054 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)c(F)c3)c2)n1 ZINC000123998148 1121652938 /nfs/dbraw/zinc/65/29/38/1121652938.db2.gz JMHHYGPSCFMZLY-UHFFFAOYSA-N -1 3 371.799 4.044 20 0 FIADHM CC(C)C(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000065617674 1121693879 /nfs/dbraw/zinc/69/38/79/1121693879.db2.gz CEAITTPKFNPPSH-UHFFFAOYSA-N -1 3 352.434 4.118 20 0 FIADHM O=c1nc(COc2ccc(Cl)cc2)[n-]c2sc3c(c21)CCCS3 ZINC000063579713 1121701274 /nfs/dbraw/zinc/70/12/74/1121701274.db2.gz XIROTCGNYHAEFS-UHFFFAOYSA-N -1 3 364.879 4.255 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000067177499 1121771101 /nfs/dbraw/zinc/77/11/01/1121771101.db2.gz WLQAHSZETZJJEP-IBGZPJMESA-N -1 3 361.388 4.008 20 0 FIADHM CCOc1cc(CNc2ccc(OC)c(OCC)c2)cc(Cl)c1[O-] ZINC000916844091 1121887589 /nfs/dbraw/zinc/88/75/89/1121887589.db2.gz AOVMLAUABQOGNM-UHFFFAOYSA-N -1 3 351.830 4.464 20 0 FIADHM CCc1cc2c(C)cc(=O)oc2cc1OC(=O)c1cc2ccsc2[n-]1 ZINC000916876581 1121906456 /nfs/dbraw/zinc/90/64/56/1121906456.db2.gz LDPIXCKOAFQMKJ-UHFFFAOYSA-N -1 3 353.399 4.426 20 0 FIADHM Cc1cccc([O-])c1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000624517314 1122018846 /nfs/dbraw/zinc/01/88/46/1122018846.db2.gz QLTLKISWZBPLCA-UHFFFAOYSA-N -1 3 357.837 4.089 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c([O-])c1 ZINC000128049708 1122184351 /nfs/dbraw/zinc/18/43/51/1122184351.db2.gz UBJYOGLMVUWZDX-AWEZNQCLSA-N -1 3 356.491 4.056 20 0 FIADHM COc1ccc(-c2nc(C(=O)[N-]c3nnc(C(C)(C)C)s3)cs2)cc1 ZINC000055975915 1122284974 /nfs/dbraw/zinc/28/49/74/1122284974.db2.gz FNKKHBTWUHUESI-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)[C@H](OC3CCCC3)c3ccccc3)n[n-]2)o1 ZINC000497736024 1122379648 /nfs/dbraw/zinc/37/96/48/1122379648.db2.gz LHUFLTCHUUDCKZ-QGZVFWFLSA-N -1 3 366.421 4.012 20 0 FIADHM CCOc1cc2c(cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1)O[C@H](C)C2 ZINC000917734412 1122421337 /nfs/dbraw/zinc/42/13/37/1122421337.db2.gz SDXIEXNTEAJRPY-FJVVXJACSA-N -1 3 373.474 4.130 20 0 FIADHM O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cc([O-])ccc1Cl ZINC000497935053 1122477742 /nfs/dbraw/zinc/47/77/42/1122477742.db2.gz CUKDUKAPOMKIMX-HNNXBMFYSA-N -1 3 352.217 4.343 20 0 FIADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1cccc([O-])c1F ZINC000129133738 1122542479 /nfs/dbraw/zinc/54/24/79/1122542479.db2.gz JKHXWFTXYQQFFT-CYBMUJFWSA-N -1 3 366.392 4.328 20 0 FIADHM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([O-])c2F)c(Br)c1 ZINC000129306974 1122567338 /nfs/dbraw/zinc/56/73/38/1122567338.db2.gz JKALHUXZLKQJMX-JTQLQIEISA-N -1 3 368.202 4.008 20 0 FIADHM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1cc([O-])ccc1Cl ZINC000556080492 1122643791 /nfs/dbraw/zinc/64/37/91/1122643791.db2.gz HHGDFXKMGOREOG-QGZVFWFLSA-N -1 3 365.832 4.408 20 0 FIADHM O=C(CCSc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000556137400 1122680031 /nfs/dbraw/zinc/68/00/31/1122680031.db2.gz PHBUUWFBSIKFQX-UHFFFAOYSA-N -1 3 352.253 4.276 20 0 FIADHM Cc1cccc(CN(Cc2cccc(C)n2)Cc2c(F)ccc([O-])c2F)n1 ZINC000556273862 1122777388 /nfs/dbraw/zinc/77/73/88/1122777388.db2.gz XQASWQJIWGPBBV-UHFFFAOYSA-N -1 3 369.415 4.280 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4ccc(C)cc4)n3)n[n-]2)o1 ZINC000919327272 1122952520 /nfs/dbraw/zinc/95/25/20/1122952520.db2.gz HBXRVNBBRPCXPF-UHFFFAOYSA-N -1 3 363.373 4.299 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4ccc(C)cc4)n3)[n-]n2)o1 ZINC000919327272 1122952522 /nfs/dbraw/zinc/95/25/22/1122952522.db2.gz HBXRVNBBRPCXPF-UHFFFAOYSA-N -1 3 363.373 4.299 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc(-c4cccs4)oc3C)n[n-]2)o1 ZINC000919328641 1122952841 /nfs/dbraw/zinc/95/28/41/1122952841.db2.gz HLXGHSZEHSWLHL-UHFFFAOYSA-N -1 3 369.402 4.360 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc(-c4cccs4)oc3C)[n-]n2)o1 ZINC000919328641 1122952844 /nfs/dbraw/zinc/95/28/44/1122952844.db2.gz HLXGHSZEHSWLHL-UHFFFAOYSA-N -1 3 369.402 4.360 20 0 FIADHM O=C([N-]OCCC(F)(F)F)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000155047375 1123078869 /nfs/dbraw/zinc/07/88/69/1123078869.db2.gz VRVINZOBASDWLE-VXGBXAGGSA-N -1 3 370.396 4.346 20 0 FIADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cnc(C(C)C)s2)n1 ZINC000131770640 1123184504 /nfs/dbraw/zinc/18/45/04/1123184504.db2.gz BEDQPSOZRQLQRK-UHFFFAOYSA-N -1 3 350.494 4.407 20 0 FIADHM O=C(COc1ccsc1Cl)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000556937210 1123252329 /nfs/dbraw/zinc/25/23/29/1123252329.db2.gz KXIQNBJVSICIJI-UHFFFAOYSA-N -1 3 351.733 4.143 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920815962 1123523616 /nfs/dbraw/zinc/52/36/16/1123523616.db2.gz DCOLZNDNPZEEFY-OAHLLOKOSA-N -1 3 360.251 4.002 20 0 FIADHM O=C([N-][C@H](c1ccccc1)c1ccncc1)C(F)(F)c1ccc(F)cc1 ZINC000920843241 1123527835 /nfs/dbraw/zinc/52/78/35/1123527835.db2.gz YRKKXYMRGWPQMD-GOSISDBHSA-N -1 3 356.347 4.218 20 0 FIADHM O=C([N-][C@H]1CCSc2c(F)cccc21)C(F)(F)c1ccc(F)cc1 ZINC000920842704 1123528144 /nfs/dbraw/zinc/52/81/44/1123528144.db2.gz LYVSFAAJNVOEHF-AWEZNQCLSA-N -1 3 355.356 4.410 20 0 FIADHM O=C([N-]Cc1ccccc1OC(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000921002072 1123546617 /nfs/dbraw/zinc/54/66/17/1123546617.db2.gz HOKYOJXVSXOJHC-UHFFFAOYSA-N -1 3 361.722 4.350 20 0 FIADHM COc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134089076 1123591241 /nfs/dbraw/zinc/59/12/41/1123591241.db2.gz PDIONAFGUZEXAO-UHFFFAOYSA-N -1 3 367.323 4.021 20 0 FIADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(OC2CCCC2)cc1 ZINC000921298175 1123617323 /nfs/dbraw/zinc/61/73/23/1123617323.db2.gz WTXPUELKLFYQTE-UHFFFAOYSA-N -1 3 353.390 4.087 20 0 FIADHM Cc1c([O-])ccc2c(CN[C@@H](C)c3c(F)cccc3Cl)cc(=O)oc12 ZINC000175024864 1123707322 /nfs/dbraw/zinc/70/73/22/1123707322.db2.gz ZFJOCUNCRITJSN-NSHDSACASA-N -1 3 361.800 4.450 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000615996282 1124201196 /nfs/dbraw/zinc/20/11/96/1124201196.db2.gz XIGVYPBOXUIQBF-KRWDZBQOSA-N -1 3 367.474 4.358 20 0 FIADHM COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000616329163 1124288730 /nfs/dbraw/zinc/28/87/30/1124288730.db2.gz UNENZIKVGSHPIU-QZTJIDSGSA-N -1 3 369.461 4.208 20 0 FIADHM Cc1sc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)nc1C(C)C ZINC000617245526 1124489677 /nfs/dbraw/zinc/48/96/77/1124489677.db2.gz DAARPJSDNFRINU-UHFFFAOYSA-N -1 3 359.426 4.116 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1cc(-c2ccco2)nc2onc(C(C)C)c21 ZINC000076278111 1124975047 /nfs/dbraw/zinc/97/50/47/1124975047.db2.gz AYHGFUCTSCGNKX-UHFFFAOYSA-N -1 3 366.377 4.463 20 0 FIADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000465975654 1125119352 /nfs/dbraw/zinc/11/93/52/1125119352.db2.gz CERYBEWCLVTXAI-PKOBYXMFSA-N -1 3 356.441 4.317 20 0 FIADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000056127862 1125139571 /nfs/dbraw/zinc/13/95/71/1125139571.db2.gz DPKQDHAZIGMUOI-AWEZNQCLSA-N -1 3 361.360 4.106 20 0 FIADHM C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000465982328 1125165182 /nfs/dbraw/zinc/16/51/82/1125165182.db2.gz MJYGVTNZNUNXRT-PZDGAKPMSA-N -1 3 362.832 4.381 20 0 FIADHM O=S(=O)([N-]c1ccccc1Br)c1ccc(Cl)cc1F ZINC000007052544 210090214 /nfs/dbraw/zinc/09/02/14/210090214.db2.gz NCNYKLAEHYPUQQ-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000071800401 221377365 /nfs/dbraw/zinc/37/73/65/221377365.db2.gz XOXHIBLAGDHJBG-UHFFFAOYSA-N -1 3 363.442 4.135 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c2ccccc12 ZINC000072027125 221396769 /nfs/dbraw/zinc/39/67/69/221396769.db2.gz ZTBYJIXDLIOMFJ-UHFFFAOYSA-N -1 3 359.422 4.487 20 0 FIADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cc(Cl)ccc1Cl ZINC000186561392 567942757 /nfs/dbraw/zinc/94/27/57/567942757.db2.gz IWRQBQDYPHUJLI-JTQLQIEISA-N -1 3 361.228 4.326 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cc(C)sc2C)c1 ZINC000602255553 567960354 /nfs/dbraw/zinc/96/03/54/567960354.db2.gz ZEWOMMVLEGRYTD-SNVBAGLBSA-N -1 3 359.900 4.066 20 0 FIADHM CC(C)(C)OC(=O)c1c(F)ccc([N-]C(=O)c2nccs2)c1Cl ZINC000602403903 567976157 /nfs/dbraw/zinc/97/61/57/567976157.db2.gz XTRLICBAOPVSQZ-UHFFFAOYSA-N -1 3 356.806 4.143 20 0 FIADHM Cc1cc(CNC(=O)c2c[n-]c3ccccc3c2=O)ccc1-c1ccccc1 ZINC000186820173 567988226 /nfs/dbraw/zinc/98/82/26/567988226.db2.gz AKQBXZMJAYOPLY-UHFFFAOYSA-N -1 3 368.436 4.434 20 0 FIADHM COC(=O)c1ccc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)s1 ZINC000603637607 568131875 /nfs/dbraw/zinc/13/18/75/568131875.db2.gz OTDAJRRPFNWHON-UHFFFAOYSA-N -1 3 368.823 4.157 20 0 FIADHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(CC(F)(F)F)CC1 ZINC000671915094 568150312 /nfs/dbraw/zinc/15/03/12/568150312.db2.gz VISPIYZXFZTGGH-UHFFFAOYSA-N -1 3 355.278 4.216 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)ccc1Cl ZINC000604261567 568239749 /nfs/dbraw/zinc/23/97/49/568239749.db2.gz XXVSBZPRKLHXLY-UHFFFAOYSA-N -1 3 373.796 4.061 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)ccc1Cl ZINC000604261567 568239750 /nfs/dbraw/zinc/23/97/50/568239750.db2.gz XXVSBZPRKLHXLY-UHFFFAOYSA-N -1 3 373.796 4.061 20 0 FIADHM COc1ccc(CN(C(=O)Cc2ccc([O-])cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000647742528 568283634 /nfs/dbraw/zinc/28/36/34/568283634.db2.gz OJRUSRKKWPJZQT-AWEZNQCLSA-N -1 3 373.880 4.424 20 0 FIADHM CSCc1c2ccccc2oc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000604427118 568284271 /nfs/dbraw/zinc/28/42/71/568284271.db2.gz HFTKTQRNMARGBD-UHFFFAOYSA-N -1 3 355.391 4.337 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c1Br ZINC000315364995 568386432 /nfs/dbraw/zinc/38/64/32/568386432.db2.gz BGKCKUSUHMGUIR-WDEREUQCSA-N -1 3 352.194 4.365 20 0 FIADHM CC[C@H](C)c1ccc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000604933204 568395432 /nfs/dbraw/zinc/39/54/32/568395432.db2.gz LLMWSZBDMYHKQZ-ZDUSSCGKSA-N -1 3 352.463 4.355 20 0 FIADHM CCc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000604930398 568398381 /nfs/dbraw/zinc/39/83/81/568398381.db2.gz HBPZNWNBXNZCQU-UHFFFAOYSA-N -1 3 362.458 4.376 20 0 FIADHM COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(C)c3[O-])n2)c1 ZINC000006993233 568413681 /nfs/dbraw/zinc/41/36/81/568413681.db2.gz WPQIDUABCFHESR-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000006993242 568413684 /nfs/dbraw/zinc/41/36/84/568413684.db2.gz MFYSKHKGLLUQJB-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C1CCCCC1 ZINC000007285406 568490035 /nfs/dbraw/zinc/49/00/35/568490035.db2.gz CLMAOCZDWWKATM-UHFFFAOYSA-N -1 3 353.491 4.416 20 0 FIADHM c1nn(-c2ccncc2)c2ncnc([N-]c3nc(-c4ccccc4)cs3)c12 ZINC000163084482 1125549653 /nfs/dbraw/zinc/54/96/53/1125549653.db2.gz CZEXJVPRKUPTTK-UHFFFAOYSA-N -1 3 371.429 4.078 20 0 FIADHM COc1ccc(-c2csc([N-]c3ncnc4oc(C)c(C)c43)n2)c(O)c1 ZINC000163096416 1125599584 /nfs/dbraw/zinc/59/95/84/1125599584.db2.gz AVVJUKJSRPZXTL-UHFFFAOYSA-N -1 3 368.418 4.421 20 0 FIADHM CCCc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182728554 1125607058 /nfs/dbraw/zinc/60/70/58/1125607058.db2.gz LOHSMQJBQMKRKQ-AWEZNQCLSA-N -1 3 362.495 4.192 20 0 FIADHM COc1ccc(N[C@@H]2CC[C@@H](C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000182731157 1125608134 /nfs/dbraw/zinc/60/81/34/1125608134.db2.gz PZLAHJJZPAXMPM-CXAGYDPISA-N -1 3 360.479 4.117 20 0 FIADHM O=c1nc(CN2C[C@@H]3CCC[C@@H]3C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000152892275 1125676864 /nfs/dbraw/zinc/67/68/64/1125676864.db2.gz WRGPRYUDLMMGDC-OKILXGFUSA-N -1 3 369.465 4.023 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)s1 ZINC000579790445 1079711769 /nfs/dbraw/zinc/71/17/69/1079711769.db2.gz SHBIITYCVVERMM-ZDUSSCGKSA-N -1 3 370.503 4.278 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1OC ZINC000683170254 1079794903 /nfs/dbraw/zinc/79/49/03/1079794903.db2.gz GDYSKGVKQDVEQD-MGPUTAFESA-N -1 3 357.450 4.096 20 0 FIADHM CSc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000683172816 1079808389 /nfs/dbraw/zinc/80/83/89/1079808389.db2.gz DKWCQIPHTFMTRG-OAHLLOKOSA-N -1 3 366.280 4.087 20 0 FIADHM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1cccc(Br)c1 ZINC000683173977 1079811193 /nfs/dbraw/zinc/81/11/93/1079811193.db2.gz MXAYKKRGRISBQV-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM Cc1nc(-c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)co1 ZINC000029433321 1079904131 /nfs/dbraw/zinc/90/41/31/1079904131.db2.gz QHUCKHWRZAJACQ-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000047162017 1080046088 /nfs/dbraw/zinc/04/60/88/1080046088.db2.gz BBRNWTQLMKEZQQ-UHFFFAOYSA-N -1 3 365.473 4.326 20 0 FIADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000134443031 1080229220 /nfs/dbraw/zinc/22/92/20/1080229220.db2.gz YNXNDUGOWTZHLJ-UHFFFAOYSA-N -1 3 360.479 4.097 20 0 FIADHM CCOc1cc(CN[C@H](CC(=O)[O-])c2cccs2)ccc1OC(F)F ZINC000326905952 1080301913 /nfs/dbraw/zinc/30/19/13/1080301913.db2.gz MQRGIXOJJLNVGG-GFCCVEGCSA-N -1 3 371.405 4.054 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c(C)c1 ZINC000024432146 1080444267 /nfs/dbraw/zinc/44/42/67/1080444267.db2.gz YKAZWUSXRPLXGU-UHFFFAOYSA-N -1 3 360.479 4.089 20 0 FIADHM C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001625859657 1080711934 /nfs/dbraw/zinc/71/19/34/1080711934.db2.gz LZXZWRIZAABKIS-HTAPYJJXSA-N -1 3 367.489 4.308 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2cc(C(F)(F)F)cnc2Cl)s1 ZINC000275344484 1080799363 /nfs/dbraw/zinc/79/93/63/1080799363.db2.gz TVNHGQGLZMCKAL-UHFFFAOYSA-N -1 3 364.780 4.056 20 0 FIADHM COc1cc2c(cc1CNCc1cc(Cl)cc(Cl)c1[O-])O[C@H](C)C2 ZINC000237291662 1080939390 /nfs/dbraw/zinc/93/93/90/1080939390.db2.gz DEQKFKBJNYHYLW-SNVBAGLBSA-N -1 3 368.260 4.321 20 0 FIADHM Cc1ncc(CNC(=O)Nc2cc(-c3ccccc3)ccc2Cl)c(=O)[n-]1 ZINC000471419946 1081164222 /nfs/dbraw/zinc/16/42/22/1081164222.db2.gz QXPIDUHLUPEXQP-UHFFFAOYSA-N -1 3 368.824 4.133 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)s1 ZINC000026767698 1081281931 /nfs/dbraw/zinc/28/19/31/1081281931.db2.gz SFXGNMXMEZKEQZ-UHFFFAOYSA-N -1 3 362.455 4.252 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)sc1C ZINC000683637701 1081285525 /nfs/dbraw/zinc/28/55/25/1081285525.db2.gz JAFRJBSVYYANRQ-AWEZNQCLSA-N -1 3 370.503 4.332 20 0 FIADHM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC001210464516 1081394897 /nfs/dbraw/zinc/39/48/97/1081394897.db2.gz LTGSOJKZMJFLEK-UHFFFAOYSA-N -1 3 365.669 4.338 20 0 FIADHM C[C@H](Oc1ccccc1NC([O-])=NO[C@@H]1CCCCO1)c1ccccc1 ZINC000160393860 1081714759 /nfs/dbraw/zinc/71/47/59/1081714759.db2.gz KMTPEIIPDVFUKJ-HNAYVOBHSA-N -1 3 356.422 4.406 20 0 FIADHM C[C@H](Oc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1 ZINC000160393860 1081714761 /nfs/dbraw/zinc/71/47/61/1081714761.db2.gz KMTPEIIPDVFUKJ-HNAYVOBHSA-N -1 3 356.422 4.406 20 0 FIADHM COC(=O)c1ccc(Nc2cccc([O-])c2Cl)c(Br)c1 ZINC001210854500 1081780535 /nfs/dbraw/zinc/78/05/35/1081780535.db2.gz AGRSPVGFXYCAFF-UHFFFAOYSA-N -1 3 356.603 4.338 20 0 FIADHM O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000580253085 1081782466 /nfs/dbraw/zinc/78/24/66/1081782466.db2.gz SLIZGJPMSYVEMV-HZPDHXFCSA-N -1 3 370.207 4.098 20 0 FIADHM [O-]c1cccc(Nc2cnc3c(Cl)nc(Br)cn23)c1Cl ZINC001210855446 1081783458 /nfs/dbraw/zinc/78/34/58/1081783458.db2.gz NZHJCMUTHREBGP-UHFFFAOYSA-N -1 3 374.025 4.248 20 0 FIADHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000090537745 1081934765 /nfs/dbraw/zinc/93/47/65/1081934765.db2.gz ZKBNCWJZZHDUJP-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM COc1ccc(Oc2ccc(NCc3c(F)ccc([O-])c3F)cn2)cc1 ZINC000580456454 1081954147 /nfs/dbraw/zinc/95/41/47/1081954147.db2.gz BXLNPIMEUNTZTK-UHFFFAOYSA-N -1 3 358.344 4.478 20 0 FIADHM O=C([O-])C[C@H]1CSCCN1[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000580777945 1082132135 /nfs/dbraw/zinc/13/21/35/1082132135.db2.gz AGKWWUOVXKWPFK-PKOBYXMFSA-N -1 3 361.894 4.322 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)n1 ZINC000581001949 1082274221 /nfs/dbraw/zinc/27/42/21/1082274221.db2.gz GOKMVYOYNDIPCZ-CYBMUJFWSA-N -1 3 370.478 4.406 20 0 FIADHM CC(C)c1cc(C(=O)Nc2cccc([O-])c2F)c2cnn(C(C)C)c2n1 ZINC000128499971 1082393990 /nfs/dbraw/zinc/39/39/90/1082393990.db2.gz BGSCWWCIQJPNJL-UHFFFAOYSA-N -1 3 356.401 4.233 20 0 FIADHM Cc1ccc(OC2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)cc1C ZINC000581553187 1082661382 /nfs/dbraw/zinc/66/13/82/1082661382.db2.gz GEWPIWOQYHRWKV-FQEVSTJZSA-N -1 3 357.425 4.112 20 0 FIADHM COc1ccc2[nH]cc(C3CCN(C(=O)c4c(C)cccc4[O-])CC3)c2c1 ZINC000624565840 1082709920 /nfs/dbraw/zinc/70/99/20/1082709920.db2.gz IFXZAMWKRMMQIA-UHFFFAOYSA-N -1 3 364.445 4.210 20 0 FIADHM COc1nccc(SC)c1Nc1cc(Br)cc(F)c1[O-] ZINC001215929690 1082711784 /nfs/dbraw/zinc/71/17/84/1082711784.db2.gz WJWPVAGFPFJNKH-UHFFFAOYSA-N -1 3 359.220 4.163 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(C3CCC3)CC2)c(Br)c1 ZINC000656759396 1082752195 /nfs/dbraw/zinc/75/21/95/1082752195.db2.gz FEWVIUNVNAQUHK-UHFFFAOYSA-N -1 3 352.272 4.159 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3cccs3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656763201 1082754807 /nfs/dbraw/zinc/75/48/07/1082754807.db2.gz FEBSBHGEXATHRP-RRFJBIMHSA-N -1 3 362.520 4.337 20 0 FIADHM Cc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)cs2)o1 ZINC000656769174 1082760853 /nfs/dbraw/zinc/76/08/53/1082760853.db2.gz YSPSORCWIXMYEC-HRCADAONSA-N -1 3 360.479 4.177 20 0 FIADHM CC(C)CCc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1 ZINC000656769211 1082760964 /nfs/dbraw/zinc/76/09/64/1082760964.db2.gz YUOJGBMXQWDFKY-ULQDDVLXSA-N -1 3 350.528 4.197 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656768924 1082761785 /nfs/dbraw/zinc/76/17/85/1082761785.db2.gz OLEXHZABEJGDPD-JQFCIGGWSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656768911 1082761849 /nfs/dbraw/zinc/76/18/49/1082761849.db2.gz OHXHWARZMVXYHV-NUTKFTJISA-N -1 3 372.292 4.400 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c([O-])c1 ZINC000048478271 1082783179 /nfs/dbraw/zinc/78/31/79/1082783179.db2.gz JUQQZEPYUYKXLU-KRWDZBQOSA-N -1 3 366.461 4.007 20 0 FIADHM COC(=O)[C@H](OC(=O)c1cc2ccsc2[n-]1)c1c(F)cccc1Cl ZINC000785067680 1082844973 /nfs/dbraw/zinc/84/49/73/1082844973.db2.gz KBLVHWXJCXCWDQ-CYBMUJFWSA-N -1 3 367.785 4.093 20 0 FIADHM Cc1csc([C@@H]([N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)C2CC2)n1 ZINC000933510917 1082931497 /nfs/dbraw/zinc/93/14/97/1082931497.db2.gz ZCSCJFHJEIDORF-LBPRGKRZSA-N -1 3 371.840 4.168 20 0 FIADHM CSc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1Cl ZINC000083014822 1082979289 /nfs/dbraw/zinc/97/92/89/1082979289.db2.gz AGZZKIHWXHWHRG-UHFFFAOYSA-N -1 3 365.886 4.003 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3cc(F)cc(Br)c3)no2)c1 ZINC000317699621 1083343477 /nfs/dbraw/zinc/34/34/77/1083343477.db2.gz KJYHTZFWIJCKNM-UHFFFAOYSA-N -1 3 365.158 4.019 20 0 FIADHM CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)Cc1cccc(Br)c1 ZINC001140497132 1083379699 /nfs/dbraw/zinc/37/96/99/1083379699.db2.gz GEZHMVXGQOKTRV-UHFFFAOYSA-N -1 3 365.271 4.114 20 0 FIADHM Cc1ccc(-c2csc(NC(=O)c3cc(F)cc4n[n-]nc43)n2)cc1C ZINC000431631967 1083584097 /nfs/dbraw/zinc/58/40/97/1083584097.db2.gz UZYQVIFVFRGZNL-UHFFFAOYSA-N -1 3 367.409 4.090 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCCC2(CCOCC2)C1 ZINC000584474832 1083728059 /nfs/dbraw/zinc/72/80/59/1083728059.db2.gz IYUYQHQHIDJVLN-HNNXBMFYSA-N -1 3 358.265 4.012 20 0 FIADHM CCc1nc([N-]C(=O)c2cc(-c3ccccn3)no2)sc1C(C)(C)C ZINC000458264944 1083783885 /nfs/dbraw/zinc/78/38/85/1083783885.db2.gz AHUOOOBNIXPWPD-UHFFFAOYSA-N -1 3 356.451 4.305 20 0 FIADHM CCCc1nnc([N-]C(=O)c2cnc(-c3ccc(C)cc3C)s2)s1 ZINC000148502550 1083814507 /nfs/dbraw/zinc/81/45/07/1083814507.db2.gz KLJAHSKFJHZPDE-UHFFFAOYSA-N -1 3 358.492 4.483 20 0 FIADHM CSc1ccc([O-])c(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)c1 ZINC001625872917 1083933318 /nfs/dbraw/zinc/93/33/18/1083933318.db2.gz JNVKJNJAPRSLQX-UHFFFAOYSA-N -1 3 354.475 4.451 20 0 FIADHM CC(C)(C)OC(=O)N1CCCC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000065999124 1083936664 /nfs/dbraw/zinc/93/66/64/1083936664.db2.gz PEDHQPROSFPJAW-BBJIBYMTSA-N -1 3 352.862 4.254 20 0 FIADHM CO[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CCC1 ZINC000612755427 1084045116 /nfs/dbraw/zinc/04/51/16/1084045116.db2.gz FQFBWCCTOXJTGJ-SFHVURJKSA-N -1 3 368.458 4.423 20 0 FIADHM CC(C)(C)n1cc(Br)c(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000612755233 1084046842 /nfs/dbraw/zinc/04/68/42/1084046842.db2.gz ZOVILYGJLKPBEW-UHFFFAOYSA-N -1 3 372.650 4.012 20 0 FIADHM CC(C)[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000472035026 1084127147 /nfs/dbraw/zinc/12/71/47/1084127147.db2.gz LSQYXSHZJOWETP-INIZCTEOSA-N -1 3 367.371 4.003 20 0 FIADHM [O-]c1cc(F)cc(CNc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 ZINC000472043512 1084163575 /nfs/dbraw/zinc/16/35/75/1084163575.db2.gz ISEWTWHBCYUFCH-UHFFFAOYSA-N -1 3 351.303 4.348 20 0 FIADHM Cc1c(NCc2cc([O-])cc(F)c2)cccc1-c1nnc2n1CCCCC2 ZINC000472053388 1084185441 /nfs/dbraw/zinc/18/54/41/1084185441.db2.gz PLCGMDSIUFDTPD-UHFFFAOYSA-N -1 3 366.440 4.437 20 0 FIADHM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000431761787 1084438394 /nfs/dbraw/zinc/43/83/94/1084438394.db2.gz WEDFUIFSKHRSGA-JTQLQIEISA-N -1 3 373.758 4.262 20 0 FIADHM O=C(Nc1ncccc1[O-])[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000544024491 1084573978 /nfs/dbraw/zinc/57/39/78/1084573978.db2.gz FNTVNDDUYIQMST-STQMWFEESA-N -1 3 351.431 4.085 20 0 FIADHM [O-]c1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1Br ZINC001140552210 1084641124 /nfs/dbraw/zinc/64/11/24/1084641124.db2.gz BMZLSFFXXPTOSW-UHFFFAOYSA-N -1 3 362.267 4.240 20 0 FIADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2ccccc2)no1 ZINC000582171763 1084734038 /nfs/dbraw/zinc/73/40/38/1084734038.db2.gz XZESPVDTNAARHQ-LLVKDONJSA-N -1 3 354.435 4.104 20 0 FIADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000563283020 1084766536 /nfs/dbraw/zinc/76/65/36/1084766536.db2.gz LYZLGQVQJDKCBU-VHSXEESVSA-N -1 3 374.384 4.394 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c1 ZINC000024432126 1084913770 /nfs/dbraw/zinc/91/37/70/1084913770.db2.gz DLXDJZUURJSFMH-UHFFFAOYSA-N -1 3 360.479 4.089 20 0 FIADHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000582441796 1085005747 /nfs/dbraw/zinc/00/57/47/1085005747.db2.gz PYDFEMXKCZEKAR-LJQANCHMSA-N -1 3 359.441 4.472 20 0 FIADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(C[C@H]1CCCO1)C(F)(F)F ZINC000651620921 1085248849 /nfs/dbraw/zinc/24/88/49/1085248849.db2.gz ZCOVOMQOXYABPF-BDAKNGLRSA-N -1 3 372.170 4.385 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000660747674 1085250321 /nfs/dbraw/zinc/25/03/21/1085250321.db2.gz RGTICOAMELKSDT-UHFFFAOYSA-N -1 3 374.897 4.292 20 0 FIADHM Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(OC[C@@H]2CCCO2)c1 ZINC000277760629 1085292518 /nfs/dbraw/zinc/29/25/18/1085292518.db2.gz SDUUGDWLVRAJSP-AWEZNQCLSA-N -1 3 361.825 4.164 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4ccccc43)c2)n1 ZINC000049304014 1085457716 /nfs/dbraw/zinc/45/77/16/1085457716.db2.gz SZLKFOMQSVVFRY-UHFFFAOYSA-N -1 3 369.424 4.405 20 0 FIADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000326882642 1085464275 /nfs/dbraw/zinc/46/42/75/1085464275.db2.gz AXIIAJNMLOGVNM-AWEZNQCLSA-N -1 3 362.857 4.318 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)n1 ZINC000049304380 1085491856 /nfs/dbraw/zinc/49/18/56/1085491856.db2.gz PMLCODZVSMLOPL-UHFFFAOYSA-N -1 3 371.799 4.044 20 0 FIADHM Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810633 1085534333 /nfs/dbraw/zinc/53/43/33/1085534333.db2.gz WXYQNRRKLQERIO-JTQLQIEISA-N -1 3 355.221 4.122 20 0 FIADHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cccc(C(F)(F)F)c1F ZINC000327101387 1085653164 /nfs/dbraw/zinc/65/31/64/1085653164.db2.gz BBEWNSSIXSCFCU-UHFFFAOYSA-N -1 3 364.201 4.283 20 0 FIADHM C[C@@]1(c2ccccc2)CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000652414599 1086023554 /nfs/dbraw/zinc/02/35/54/1086023554.db2.gz IMKLDBUOKZYBSX-OAQYLSRUSA-N -1 3 373.880 4.471 20 0 FIADHM Cc1nc([C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000652497359 1086131998 /nfs/dbraw/zinc/13/19/98/1086131998.db2.gz SXQLLQBIMVZNPW-DETPVDSQSA-N -1 3 362.857 4.407 20 0 FIADHM C[C@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CCc2ccc(F)cc21 ZINC000652510665 1086140153 /nfs/dbraw/zinc/14/01/53/1086140153.db2.gz HKMLIGPQZMYKEN-BBATYDOGSA-N -1 3 365.807 4.406 20 0 FIADHM [O-]c1c(F)cc(Nc2ccnn2-c2ccc(Br)cc2)cc1F ZINC001213377191 1086171733 /nfs/dbraw/zinc/17/17/33/1086171733.db2.gz BRYKECHFDNICNQ-UHFFFAOYSA-N -1 3 366.165 4.362 20 0 FIADHM Cc1cccnc1[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(C)C ZINC001126200830 1086241281 /nfs/dbraw/zinc/24/12/81/1086241281.db2.gz WSVWZZUVEHUXOJ-HNNXBMFYSA-N -1 3 354.347 4.274 20 0 FIADHM CC[C@H](c1nnc([N-]C(=O)c2cn3ccnc3s2)s1)c1ccccc1 ZINC000188310470 1086307872 /nfs/dbraw/zinc/30/78/72/1086307872.db2.gz DIJBQLSERGBFQU-LBPRGKRZSA-N -1 3 369.475 4.042 20 0 FIADHM Cc1noc(C)c1N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000091990956 1086332912 /nfs/dbraw/zinc/33/29/12/1086332912.db2.gz PCSADVGCPUBRTM-UHFFFAOYSA-N -1 3 350.418 4.059 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1 ZINC000150804610 1086353591 /nfs/dbraw/zinc/35/35/91/1086353591.db2.gz UJLNUNKECYUJBF-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000583212984 1086415452 /nfs/dbraw/zinc/41/54/52/1086415452.db2.gz VQDZKYMIDMKKTF-IBGZPJMESA-N -1 3 359.429 4.190 20 0 FIADHM Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3ccc([O-])c(F)c3)c12 ZINC000150923536 1086592962 /nfs/dbraw/zinc/59/29/62/1086592962.db2.gz QSABPQFRWMSDMQ-UHFFFAOYSA-N -1 3 366.396 4.146 20 0 FIADHM Cc1nnccc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093095181 1086670306 /nfs/dbraw/zinc/67/03/06/1086670306.db2.gz WAIIFKIDDSDPTN-UHFFFAOYSA-N -1 3 362.414 4.020 20 0 FIADHM O=C([N-]c1nc2cc(F)c(F)cc2s1)c1cc(-c2ccccc2)no1 ZINC000512039028 1086686896 /nfs/dbraw/zinc/68/68/96/1086686896.db2.gz IMHZDOXUNRFAED-UHFFFAOYSA-N -1 3 357.341 4.482 20 0 FIADHM COc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2C)c(C(F)(F)F)c1 ZINC001125660932 1086690391 /nfs/dbraw/zinc/69/03/91/1086690391.db2.gz HWJPOVJIRZIUFS-UHFFFAOYSA-N -1 3 373.321 4.431 20 0 FIADHM Cc1noc(C)c1[C@H](C)NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000663598523 1086695382 /nfs/dbraw/zinc/69/53/82/1086695382.db2.gz SYDZMPOJLCJAFX-VIFPVBQESA-N -1 3 370.434 4.113 20 0 FIADHM CCc1cccc2c1OCC[C@@H]2[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001125663074 1086725841 /nfs/dbraw/zinc/72/58/41/1086725841.db2.gz XEOXXWWKSRXPRV-HNNXBMFYSA-N -1 3 367.342 4.259 20 0 FIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000544697262 1086846515 /nfs/dbraw/zinc/84/65/15/1086846515.db2.gz LGOZNWSEQMVSHR-UHFFFAOYSA-N -1 3 360.826 4.285 20 0 FIADHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000650794047 1087167696 /nfs/dbraw/zinc/16/76/96/1087167696.db2.gz QZFAOGSUESGWHJ-IAQYHMDHSA-N -1 3 364.239 4.147 20 0 FIADHM C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1cc2ccccc2o1 ZINC000151650513 1087190459 /nfs/dbraw/zinc/19/04/59/1087190459.db2.gz MYVNSSHSPPMILY-LLVKDONJSA-N -1 3 374.234 4.321 20 0 FIADHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c3ccccc32)s1 ZINC001211610571 1087191103 /nfs/dbraw/zinc/19/11/03/1087191103.db2.gz BBVQXEQCTFIXDE-JTQLQIEISA-N -1 3 366.895 4.298 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2c(F)ccc(C)c2Br)c1[O-] ZINC000584253825 1087234298 /nfs/dbraw/zinc/23/42/98/1087234298.db2.gz QJDGUIMEGAJVFD-UHFFFAOYSA-N -1 3 366.186 4.057 20 0 FIADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1scnc1C1CC1 ZINC000127883125 1087350639 /nfs/dbraw/zinc/35/06/39/1087350639.db2.gz UHXJZJFKCQMROB-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c1 ZINC000084920347 1087363914 /nfs/dbraw/zinc/36/39/14/1087363914.db2.gz GVZQOODFNPDLQK-UHFFFAOYSA-N -1 3 362.838 4.006 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3cc(F)c(C)cc3F)n2)cc1 ZINC000128236256 1087425262 /nfs/dbraw/zinc/42/52/62/1087425262.db2.gz WSFNOLLUGOGZBR-UHFFFAOYSA-N -1 3 361.373 4.053 20 0 FIADHM C[C@@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCO1 ZINC000093094871 1087451883 /nfs/dbraw/zinc/45/18/83/1087451883.db2.gz ZOZNBZOGWBUJDA-IBGZPJMESA-N -1 3 354.431 4.177 20 0 FIADHM CCc1cccc(C(=O)Nc2ccccc2OCc2cscn2)c1[O-] ZINC000094080495 1087462776 /nfs/dbraw/zinc/46/27/76/1087462776.db2.gz BLKJSASNANRPEA-UHFFFAOYSA-N -1 3 354.431 4.242 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(Cl)ncc1Cl ZINC000780346835 1087538563 /nfs/dbraw/zinc/53/85/63/1087538563.db2.gz UOZPZDLURRDCNW-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000685447760 1087572689 /nfs/dbraw/zinc/57/26/89/1087572689.db2.gz MTKFITYWBKEZMO-UHFFFAOYSA-N -1 3 365.760 4.082 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c(C)c1 ZINC000685447853 1087572790 /nfs/dbraw/zinc/57/27/90/1087572790.db2.gz PCOOXRYIKOMJRD-UHFFFAOYSA-N -1 3 373.396 4.354 20 0 FIADHM Cc1nonc1[N-]C(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C ZINC001125763353 1087631767 /nfs/dbraw/zinc/63/17/67/1087631767.db2.gz CZVYOOSIHLHRDX-UHFFFAOYSA-N -1 3 369.233 4.369 20 0 FIADHM Cc1c([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cnn1-c1ccc(F)cc1 ZINC000685596112 1087637485 /nfs/dbraw/zinc/63/74/85/1087637485.db2.gz FKJLRDYAWGMAFP-LLVKDONJSA-N -1 3 373.815 4.170 20 0 FIADHM Cc1ccc(C)c2sc([N-]C(=O)c3cc(-c4ccccn4)no3)nc21 ZINC000081366871 1087677117 /nfs/dbraw/zinc/67/71/17/1087677117.db2.gz CGPIJPBMPPTGTJ-UHFFFAOYSA-N -1 3 350.403 4.215 20 0 FIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3cc[nH]c(=O)c3c2)c(C)c1C ZINC000424083580 1087754682 /nfs/dbraw/zinc/75/46/82/1087754682.db2.gz NBMMDODBLIQXJI-UHFFFAOYSA-N -1 3 370.474 4.283 20 0 FIADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000504689732 1087799423 /nfs/dbraw/zinc/79/94/23/1087799423.db2.gz IQYBLYOHDKNSNT-UHFFFAOYSA-N -1 3 358.419 4.442 20 0 FIADHM O=C(CCCOc1cccc(Cl)c1Cl)[N-]OCCC(F)(F)F ZINC000162849794 1088008082 /nfs/dbraw/zinc/00/80/82/1088008082.db2.gz UBHYXACKXDYDNK-UHFFFAOYSA-N -1 3 360.159 4.153 20 0 FIADHM Cc1ccc(-c2ccc(C)c(NC(=O)c3cc(F)cc4n[n-]nc43)c2)o1 ZINC000505103232 1088140886 /nfs/dbraw/zinc/14/08/86/1088140886.db2.gz FAOXVQGVWBLIEA-UHFFFAOYSA-N -1 3 350.353 4.226 20 0 FIADHM CC(C)COC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000177399628 1088296763 /nfs/dbraw/zinc/29/67/63/1088296763.db2.gz DNQDRDHMDXLPHA-UHFFFAOYSA-N -1 3 369.461 4.462 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)o1 ZINC000505296396 1088329849 /nfs/dbraw/zinc/32/98/49/1088329849.db2.gz UPUUHADQQIFPKM-UHFFFAOYSA-N -1 3 354.391 4.062 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)o1 ZINC000505302629 1088334195 /nfs/dbraw/zinc/33/41/95/1088334195.db2.gz XJDLUYIGVLASOM-UHFFFAOYSA-N -1 3 368.418 4.453 20 0 FIADHM Cc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4ccc(C)cc4)n3)cs2)o1 ZINC000031274629 1088468815 /nfs/dbraw/zinc/46/88/15/1088468815.db2.gz DVZQKYIGTNKERM-UHFFFAOYSA-N -1 3 365.418 4.057 20 0 FIADHM COc1cc(C(=O)N(CC2CCC2)[C@H](C)c2ccccc2)cc(OC)c1[O-] ZINC000513954708 1088562180 /nfs/dbraw/zinc/56/21/80/1088562180.db2.gz LDBROLDKSYFIII-OAHLLOKOSA-N -1 3 369.461 4.413 20 0 FIADHM COc1cc(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)cc(OC)c1[O-] ZINC000513965580 1088584400 /nfs/dbraw/zinc/58/44/00/1088584400.db2.gz BCLLQZWAUNNILA-MRXNPFEDSA-N -1 3 357.450 4.317 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(F)s1 ZINC001269794295 1088681734 /nfs/dbraw/zinc/68/17/34/1088681734.db2.gz GAEMQZOMSCHVAX-UHFFFAOYSA-N -1 3 353.831 4.235 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCn2c3ccccc3nc21 ZINC000179385980 1088751535 /nfs/dbraw/zinc/75/15/35/1088751535.db2.gz YAPRVZWJYVJKIB-UHFFFAOYSA-N -1 3 371.396 4.195 20 0 FIADHM CCOc1cc(C=C(C)c2nc(=O)c3ccsc3[nH]2)cc(Cl)c1[O-] ZINC000179497856 1088756678 /nfs/dbraw/zinc/75/66/78/1088756678.db2.gz DUQSTPHUTLYQAT-RMKNXTFCSA-N -1 3 362.838 4.303 20 0 FIADHM [O-]C(=Cc1nc(-c2cnccc2C(F)(F)F)no1)c1ccccc1Cl ZINC001211647512 1088770171 /nfs/dbraw/zinc/77/01/71/1088770171.db2.gz STYDBHWOYOVYLQ-UHFFFAOYSA-N -1 3 367.714 4.229 20 0 FIADHM O=C([O-])c1cccc(Br)c1CN1CCSC2(CCC2)CC1 ZINC000659796353 1088872130 /nfs/dbraw/zinc/87/21/30/1088872130.db2.gz OIKNXSOPNTZEND-UHFFFAOYSA-N -1 3 370.312 4.009 20 0 FIADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000434626277 1088893957 /nfs/dbraw/zinc/89/39/57/1088893957.db2.gz HIUIJEPKOFEONS-UHFFFAOYSA-N -1 3 367.442 4.039 20 0 FIADHM Cc1c(COc2ccccc2)cccc1NC(=O)c1cccc2n[n-]nc21 ZINC000188261210 1088918126 /nfs/dbraw/zinc/91/81/26/1088918126.db2.gz CBVCIRRKDQCJEX-UHFFFAOYSA-N -1 3 358.401 4.098 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c([O-])c1 ZINC000188473768 1088948241 /nfs/dbraw/zinc/94/82/41/1088948241.db2.gz NQLYAFBCWFINFP-UHFFFAOYSA-N -1 3 350.418 4.170 20 0 FIADHM CC(=O)c1ccc(C(=O)N(CC(C)C)[C@H]2CCCc3cccnc32)cc1[O-] ZINC000613627133 1088980774 /nfs/dbraw/zinc/98/07/74/1088980774.db2.gz QNRASSSKJWRCEH-IBGZPJMESA-N -1 3 366.461 4.166 20 0 FIADHM Cc1ccc([O-])c(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)n1 ZINC000430101286 1088991283 /nfs/dbraw/zinc/99/12/83/1088991283.db2.gz WROFFNYESXFHCB-UGSOOPFHSA-N -1 3 366.383 4.076 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2csc(Br)c2)CC)n1 ZINC000435338559 1089544061 /nfs/dbraw/zinc/54/40/61/1089544061.db2.gz GRANLOYASNWKJJ-WDZFZDKYSA-N -1 3 353.285 4.497 20 0 FIADHM Cc1csc([C@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)n1 ZINC000329981988 1089673661 /nfs/dbraw/zinc/67/36/61/1089673661.db2.gz OHXUGKAUYHQYOZ-HNNXBMFYSA-N -1 3 352.459 4.330 20 0 FIADHM [O-]c1cccnc1CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000514989320 1089710096 /nfs/dbraw/zinc/71/00/96/1089710096.db2.gz ADUMLNCOFJVEMH-UHFFFAOYSA-N -1 3 366.471 4.389 20 0 FIADHM O=C([O-])CCN(Cc1ccc(Oc2ccccc2)c(F)c1)C[C@H]1CCCO1 ZINC000515174375 1089851631 /nfs/dbraw/zinc/85/16/31/1089851631.db2.gz GQGYMTRSFWMUQX-GOSISDBHSA-N -1 3 373.424 4.074 20 0 FIADHM Cn1cc(C(=O)Nc2cc(Br)ccc2[O-])c2cc(F)ccc21 ZINC000435801405 1089953166 /nfs/dbraw/zinc/95/31/66/1089953166.db2.gz UUSWOIOHUDDZLF-UHFFFAOYSA-N -1 3 363.186 4.038 20 0 FIADHM CCc1cc(C(=O)N2CCCc3c(=O)[n-]cnc32)sc1-c1ccccc1 ZINC000893203771 1090299794 /nfs/dbraw/zinc/29/97/94/1090299794.db2.gz CYPOKTNTVGYRLY-UHFFFAOYSA-N -1 3 365.458 4.066 20 0 FIADHM CC(C)(C)n1cnc([N-]C(=O)c2csc(-c3ccc(Cl)s3)n2)n1 ZINC000544107526 1090309644 /nfs/dbraw/zinc/30/96/44/1090309644.db2.gz MCSLITOQJGTDSK-UHFFFAOYSA-N -1 3 367.887 4.124 20 0 FIADHM C[C@@H](c1ccc(F)cc1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000027558260 1090365587 /nfs/dbraw/zinc/36/55/87/1090365587.db2.gz TYDQZBOKVJJZKT-LBPRGKRZSA-N -1 3 351.381 4.001 20 0 FIADHM CCN(CCc1ccccc1)Cc1ccc(C(=O)[O-])cc1Br ZINC000584639141 1090667821 /nfs/dbraw/zinc/66/78/21/1090667821.db2.gz XENQUIDARHQRRM-UHFFFAOYSA-N -1 3 362.267 4.212 20 0 FIADHM O=C([N-]C1(c2cccc(Cl)c2)CCCC1)C(F)(F)c1nccs1 ZINC000756507872 1090670455 /nfs/dbraw/zinc/67/04/55/1090670455.db2.gz ABOJYRFLOHVXIC-UHFFFAOYSA-N -1 3 356.825 4.474 20 0 FIADHM COc1ccccc1CC1CCN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000584726535 1090786153 /nfs/dbraw/zinc/78/61/53/1090786153.db2.gz ZNDIZDIBMHCHMZ-CQSZACIVSA-N -1 3 357.450 4.311 20 0 FIADHM CC(C)(C)c1cnc(CNC[C@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000417542357 1090918500 /nfs/dbraw/zinc/91/85/00/1090918500.db2.gz DQUKRHGGNWBMFE-ZDUSSCGKSA-N -1 3 366.914 4.127 20 0 FIADHM COc1cccc(Cl)c1CNC[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000417546229 1090919821 /nfs/dbraw/zinc/91/98/21/1090919821.db2.gz LVWGFHJQVFRYIM-CYBMUJFWSA-N -1 3 368.260 4.035 20 0 FIADHM COc1ccccc1C[C@@H](CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417570091 1090925740 /nfs/dbraw/zinc/92/57/40/1090925740.db2.gz RRIIMYIQAULZAX-LBPRGKRZSA-N -1 3 374.289 4.097 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnc(-c3ccco3)s2)cc1 ZINC000417572898 1090926924 /nfs/dbraw/zinc/92/69/24/1090926924.db2.gz GYQCKZGNKHADAG-MRXNPFEDSA-N -1 3 372.446 4.107 20 0 FIADHM CCO[C@@H]1C[C@@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1(CC)CC ZINC000584844620 1090940730 /nfs/dbraw/zinc/94/07/30/1090940730.db2.gz GPSPBNPCUZXOQY-HZPDHXFCSA-N -1 3 353.890 4.454 20 0 FIADHM COc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OCC(C)C ZINC000417627359 1090948742 /nfs/dbraw/zinc/94/87/42/1090948742.db2.gz UWZMBNRPCPKRNW-RTBURBONSA-N -1 3 369.461 4.133 20 0 FIADHM COc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OCC(C)C ZINC000417627358 1090948995 /nfs/dbraw/zinc/94/89/95/1090948995.db2.gz UWZMBNRPCPKRNW-RBUKOAKNSA-N -1 3 369.461 4.133 20 0 FIADHM O=C([O-])CC1(CCNCc2csc(-c3ccccn3)n2)CCCCC1 ZINC000417652672 1090955260 /nfs/dbraw/zinc/95/52/60/1090955260.db2.gz RJCMFKMTYXIDLD-UHFFFAOYSA-N -1 3 359.495 4.110 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C ZINC000511686715 1091541566 /nfs/dbraw/zinc/54/15/66/1091541566.db2.gz JEGFUMJOGUQCDJ-UHFFFAOYSA-N -1 3 363.479 4.038 20 0 FIADHM O=c1ccnc(C(=Cc2cc(-n3ccnc3)cs2)Cc2ccccc2)[n-]1 ZINC000432706193 1092163625 /nfs/dbraw/zinc/16/36/25/1092163625.db2.gz UXTRDRZERVOQCI-LFIBNONCSA-N -1 3 360.442 4.213 20 0 FIADHM CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nccs1 ZINC000151494155 1092282752 /nfs/dbraw/zinc/28/27/52/1092282752.db2.gz CJLFLBGDMMDUOR-CYBMUJFWSA-N -1 3 365.307 4.054 20 0 FIADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1ncc(F)cc1F ZINC000428230490 1092283635 /nfs/dbraw/zinc/28/36/35/1092283635.db2.gz PGYAGRHYRKWPOM-UHFFFAOYSA-N -1 3 362.357 4.004 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1Cl ZINC000432765601 1092291708 /nfs/dbraw/zinc/29/17/08/1092291708.db2.gz MUWDEJFJVXBRFO-UHFFFAOYSA-N -1 3 369.870 4.083 20 0 FIADHM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000531599196 1092707112 /nfs/dbraw/zinc/70/71/12/1092707112.db2.gz XMLOYNMKEWLINZ-HNNXBMFYSA-N -1 3 356.260 4.221 20 0 FIADHM COCCc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000521581682 1092776713 /nfs/dbraw/zinc/77/67/13/1092776713.db2.gz FSVFXNCLPJFMOD-UHFFFAOYSA-N -1 3 363.841 4.032 20 0 FIADHM Cc1ccc(C(=O)CCC(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)s1 ZINC000512546875 1092901424 /nfs/dbraw/zinc/90/14/24/1092901424.db2.gz YMDVVRJWBSELJX-UHFFFAOYSA-N -1 3 367.474 4.087 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCCc2cc(OC(F)F)ccc21 ZINC000432892668 1092910029 /nfs/dbraw/zinc/91/00/29/1092910029.db2.gz JXENSIFGWDREKO-UHFFFAOYSA-N -1 3 353.752 4.240 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(COCCOC(C)C)c2)c1 ZINC000500865980 1092917071 /nfs/dbraw/zinc/91/70/71/1092917071.db2.gz GKAUULOAIPTXBX-UHFFFAOYSA-N -1 3 357.450 4.149 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)cc1C(C)C ZINC000432957441 1092991215 /nfs/dbraw/zinc/99/12/15/1092991215.db2.gz ADZNMLIHVRONSS-UHFFFAOYSA-N -1 3 373.478 4.113 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)cc1[O-] ZINC000665309825 1092998711 /nfs/dbraw/zinc/99/87/11/1092998711.db2.gz ZATXCMQIGRLFNB-ZDUSSCGKSA-N -1 3 365.433 4.016 20 0 FIADHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1Cl ZINC000443470597 1093194047 /nfs/dbraw/zinc/19/40/47/1093194047.db2.gz WCROEDQATVCMMJ-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM CC[C@@H](C)CN(C)c1ccc(F)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000665343155 1093209068 /nfs/dbraw/zinc/20/90/68/1093209068.db2.gz ZTFHVZNLAMZGGR-MRXNPFEDSA-N -1 3 364.505 4.385 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000093913225 1093236533 /nfs/dbraw/zinc/23/65/33/1093236533.db2.gz GZHUBZLCLBEXNE-OAQYLSRUSA-N -1 3 358.441 4.355 20 0 FIADHM CCOc1c(Cl)cc(CNCc2cccc([O-])c2Cl)cc1OC ZINC000645146777 1093236708 /nfs/dbraw/zinc/23/67/08/1093236708.db2.gz RSUBUOKUFNDFSZ-UHFFFAOYSA-N -1 3 356.249 4.396 20 0 FIADHM Cc1cc(C)cc(C2(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)CC2)c1 ZINC000522261449 1093251314 /nfs/dbraw/zinc/25/13/14/1093251314.db2.gz LBJAJRFNJUWTEP-UHFFFAOYSA-N -1 3 373.456 4.032 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)[n-]1 ZINC000433107810 1093255278 /nfs/dbraw/zinc/25/52/78/1093255278.db2.gz DJYFDWZDBDKJGO-YOEHRIQHSA-N -1 3 370.449 4.149 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)c(F)cc1F ZINC001211763366 1093256326 /nfs/dbraw/zinc/25/63/26/1093256326.db2.gz BVALIWHHMBOHPV-CVEARBPZSA-N -1 3 365.445 4.278 20 0 FIADHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000512778906 1093320524 /nfs/dbraw/zinc/32/05/24/1093320524.db2.gz LMZPFJIWHROFDC-SNVBAGLBSA-N -1 3 362.253 4.215 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](Cc4ccccc4)[C@H]3C)nc2)n1 ZINC000474179566 1093553403 /nfs/dbraw/zinc/55/34/03/1093553403.db2.gz BDRCTTKNOSGAJC-SJLPKXTDSA-N -1 3 374.488 4.264 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(COc3ccccc3)c2)n1 ZINC000895543230 1093596950 /nfs/dbraw/zinc/59/69/50/1093596950.db2.gz YOPZFUIKKBUBBA-UHFFFAOYSA-N -1 3 363.461 4.095 20 0 FIADHM CC(C)(C)Oc1c(F)cc([N-]C(=O)c2noc(-c3ccccc3)n2)cc1F ZINC000433373849 1093649987 /nfs/dbraw/zinc/64/99/87/1093649987.db2.gz HRTYQXVSJWABLL-UHFFFAOYSA-N -1 3 373.359 4.444 20 0 FIADHM Cc1nc(C)c([C@@H](C)N(C)C(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000469047915 1093707768 /nfs/dbraw/zinc/70/77/68/1093707768.db2.gz RFKQTUYRVZNZIT-GFCCVEGCSA-N -1 3 350.459 4.147 20 0 FIADHM CCOc1ccc(C(C)=O)cc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419351909 1093725022 /nfs/dbraw/zinc/72/50/22/1093725022.db2.gz ZDRPDDRXGNMECJ-UHFFFAOYSA-N -1 3 358.463 4.094 20 0 FIADHM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1 ZINC000047376599 1093740042 /nfs/dbraw/zinc/74/00/42/1093740042.db2.gz GXDNCDGLOQRZBF-QGZVFWFLSA-N -1 3 359.385 4.293 20 0 FIADHM CCOc1cc(CNc2cccc(OCCOC)c2)cc(Cl)c1[O-] ZINC000513146194 1093905001 /nfs/dbraw/zinc/90/50/01/1093905001.db2.gz BBBAFCRWXQLYQX-UHFFFAOYSA-N -1 3 351.830 4.082 20 0 FIADHM Cc1cc([O-])c(I)c(OC2CCC(F)(F)CC2)c1 ZINC001225510694 1094040752 /nfs/dbraw/zinc/04/07/52/1094040752.db2.gz MJQRYCUTDIMEGN-UHFFFAOYSA-N -1 3 368.161 4.262 20 0 FIADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccnc1 ZINC000433736230 1094076117 /nfs/dbraw/zinc/07/61/17/1094076117.db2.gz FIOXEUVQMHUZJZ-CYBMUJFWSA-N -1 3 373.305 4.107 20 0 FIADHM C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000329010210 1094711825 /nfs/dbraw/zinc/71/18/25/1094711825.db2.gz OJJZNXZZVDIGSN-DXIQSLLYSA-N -1 3 353.462 4.091 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC)c(Cl)c2)c(C)c1 ZINC000501860018 1094986337 /nfs/dbraw/zinc/98/63/37/1094986337.db2.gz PWIGCETZEPTNKU-UHFFFAOYSA-N -1 3 369.870 4.247 20 0 FIADHM CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000329618343 1095007459 /nfs/dbraw/zinc/00/74/59/1095007459.db2.gz DWXLYQBSUVFFAE-OAHLLOKOSA-N -1 3 354.454 4.202 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(F)c(F)cc1Cl ZINC000042090637 1095077639 /nfs/dbraw/zinc/07/76/39/1095077639.db2.gz FGLSTNDENTYMJF-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000192523572 1095201674 /nfs/dbraw/zinc/20/16/74/1095201674.db2.gz LUJRLVSKLAEPRH-HNNXBMFYSA-N -1 3 369.465 4.065 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000329718455 1095201761 /nfs/dbraw/zinc/20/17/61/1095201761.db2.gz YVGVUOVDZZUSEC-INIZCTEOSA-N -1 3 368.481 4.448 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c(C)c1 ZINC000522828259 1095751841 /nfs/dbraw/zinc/75/18/41/1095751841.db2.gz VGFZHVYQAWBOFS-UHFFFAOYSA-N -1 3 363.479 4.290 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)cc2cccnc21 ZINC000503735237 1096545036 /nfs/dbraw/zinc/54/50/36/1096545036.db2.gz NDYNOWGYBITOPN-UHFFFAOYSA-N -1 3 361.170 4.094 20 0 FIADHM CC(=O)c1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1 ZINC000504506699 1096792866 /nfs/dbraw/zinc/79/28/66/1096792866.db2.gz DAZQXWIZXPCKHP-UHFFFAOYSA-N -1 3 361.170 4.107 20 0 FIADHM O=c1[n-]c(CN[C@H](c2ccccc2)C(F)(F)F)nc2c3ccccc3oc21 ZINC000533021366 1098696151 /nfs/dbraw/zinc/69/61/51/1098696151.db2.gz OIHQTGMVSDUKJJ-QGZVFWFLSA-N -1 3 373.334 4.475 20 0 FIADHM Cc1cc(F)cc2c1N(Cc1nc3c4ccccc4oc3c(=O)[n-]1)CCC2 ZINC000533058207 1098724675 /nfs/dbraw/zinc/72/46/75/1098724675.db2.gz GXKXQILPRKEEMH-UHFFFAOYSA-N -1 3 363.392 4.482 20 0 FIADHM CSCc1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)cc1 ZINC000515609892 1098761473 /nfs/dbraw/zinc/76/14/73/1098761473.db2.gz BFTFVISSOGTHEI-UHFFFAOYSA-N -1 3 350.365 4.472 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3occc32)c1Cl ZINC000515707275 1098853115 /nfs/dbraw/zinc/85/31/15/1098853115.db2.gz MJYMDOSEIDGIGP-LBPRGKRZSA-N -1 3 360.262 4.251 20 0 FIADHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CC1)c1c(Cl)cccc1Cl ZINC000515751322 1098907659 /nfs/dbraw/zinc/90/76/59/1098907659.db2.gz PCJFIPAFZVDZIJ-UHFFFAOYSA-N -1 3 374.264 4.143 20 0 FIADHM COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c([O-])c1 ZINC000436490270 1099054953 /nfs/dbraw/zinc/05/49/53/1099054953.db2.gz PVOWYVIWCQJZAL-GFCCVEGCSA-N -1 3 354.431 4.015 20 0 FIADHM CCCN(C(=O)c1ccc(CC)cc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436496877 1099058491 /nfs/dbraw/zinc/05/84/91/1099058491.db2.gz QQRLCOMTEZEHPV-INIZCTEOSA-N -1 3 368.477 4.224 20 0 FIADHM CCCn1nccc1C1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436490925 1099064760 /nfs/dbraw/zinc/06/47/60/1099064760.db2.gz JEXKYLQQZUFMGX-UHFFFAOYSA-N -1 3 355.482 4.142 20 0 FIADHM O=C(NCCCc1nccs1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436565610 1099117132 /nfs/dbraw/zinc/11/71/32/1099117132.db2.gz SUHLIBKQNWFKLX-UHFFFAOYSA-N -1 3 354.431 4.004 20 0 FIADHM CN(CCc1cccs1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436571638 1099121895 /nfs/dbraw/zinc/12/18/95/1099121895.db2.gz BPFWZFYQVYWMOL-UHFFFAOYSA-N -1 3 351.471 4.359 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c([O-])c1 ZINC000436591227 1099123180 /nfs/dbraw/zinc/12/31/80/1099123180.db2.gz VWMVZNKFYQXOFG-MRXNPFEDSA-N -1 3 355.825 4.208 20 0 FIADHM CC(C)CO[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436584964 1099133442 /nfs/dbraw/zinc/13/34/42/1099133442.db2.gz KQVLSDHICQULAX-SFHVURJKSA-N -1 3 355.434 4.072 20 0 FIADHM O=C(c1ccccc1[O-])N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000436626886 1099153395 /nfs/dbraw/zinc/15/33/95/1099153395.db2.gz QQXYWLHMJWHYIU-QGZVFWFLSA-N -1 3 353.315 4.122 20 0 FIADHM COc1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c1[O-] ZINC000436625973 1099154335 /nfs/dbraw/zinc/15/43/35/1099154335.db2.gz GNNDGVHNNPYUIS-UHFFFAOYSA-N -1 3 362.357 4.055 20 0 FIADHM C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436636940 1099164675 /nfs/dbraw/zinc/16/46/75/1099164675.db2.gz SXNMQXGWGSRDRZ-WAIKUNEKSA-N -1 3 373.452 4.317 20 0 FIADHM Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cccc(C)c1[O-] ZINC000436641255 1099183238 /nfs/dbraw/zinc/18/32/38/1099183238.db2.gz MSOYUVQFLBQACM-IBGZPJMESA-N -1 3 361.445 4.384 20 0 FIADHM CCOc1cc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)ccc1O ZINC000436670286 1099202620 /nfs/dbraw/zinc/20/26/20/1099202620.db2.gz DNWINJVSWKYYSK-UHFFFAOYSA-N -1 3 351.189 4.001 20 0 FIADHM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC000436677054 1099210348 /nfs/dbraw/zinc/21/03/48/1099210348.db2.gz WDBIEFZZFZYBLI-UHFFFAOYSA-N -1 3 360.841 4.088 20 0 FIADHM C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618432 1099216122 /nfs/dbraw/zinc/21/61/22/1099216122.db2.gz JWRNXROBNCEYJI-VIFPVBQESA-N -1 3 370.630 4.214 20 0 FIADHM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)c1ccccc1[O-] ZINC000436682280 1099217238 /nfs/dbraw/zinc/21/72/38/1099217238.db2.gz UWCGBFGMMITOIO-NSHDSACASA-N -1 3 356.422 4.454 20 0 FIADHM Cc1ccc(-c2nc(Cc3cc(F)cc(Br)c3)no2)c([O-])c1 ZINC000436686333 1099221414 /nfs/dbraw/zinc/22/14/14/1099221414.db2.gz GIHCHIOPGDHVKH-UHFFFAOYSA-N -1 3 363.186 4.243 20 0 FIADHM CCn1ccnc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436709827 1099235845 /nfs/dbraw/zinc/23/58/45/1099235845.db2.gz ZRUQZYOFGLCIMO-UHFFFAOYSA-N -1 3 364.430 4.138 20 0 FIADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436706767 1099239591 /nfs/dbraw/zinc/23/95/91/1099239591.db2.gz DCTGCGLIOMMZBE-PXAZEXFGSA-N -1 3 365.351 4.013 20 0 FIADHM CC[C@@H](C)N[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccco1 ZINC000436712538 1099245634 /nfs/dbraw/zinc/24/56/34/1099245634.db2.gz GJPUCVKNZUXBLC-MFKMUULPSA-N -1 3 371.264 4.151 20 0 FIADHM COCC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCC1 ZINC000436716057 1099247128 /nfs/dbraw/zinc/24/71/28/1099247128.db2.gz NYXQDJNSLPMVHS-UHFFFAOYSA-N -1 3 368.458 4.424 20 0 FIADHM COc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1[O-] ZINC000436736457 1099256815 /nfs/dbraw/zinc/25/68/15/1099256815.db2.gz FWWIBCFYCYMGCO-UHFFFAOYSA-N -1 3 355.390 4.085 20 0 FIADHM COc1ccc(F)cc1-c1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436730904 1099267731 /nfs/dbraw/zinc/26/77/31/1099267731.db2.gz IRQSXOSSSLWZHZ-UHFFFAOYSA-N -1 3 358.394 4.224 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000436758367 1099273809 /nfs/dbraw/zinc/27/38/09/1099273809.db2.gz YMPHQPYTOMKTFT-HSZRJFAPSA-N -1 3 373.452 4.197 20 0 FIADHM Cc1ccc(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)c([O-])c1 ZINC000436764248 1099306186 /nfs/dbraw/zinc/30/61/86/1099306186.db2.gz KQUUEOLFPWDXEM-UHFFFAOYSA-N -1 3 371.440 4.029 20 0 FIADHM CC(C)c1noc(-c2ccccc2C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000436782439 1099315857 /nfs/dbraw/zinc/31/58/57/1099315857.db2.gz BZOUZHBIVYFLBF-UHFFFAOYSA-N -1 3 357.797 4.471 20 0 FIADHM CC1(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@H]1[C@H]1CCCO1 ZINC000436787134 1099317681 /nfs/dbraw/zinc/31/76/81/1099317681.db2.gz MNPNBMJJCXNFGE-UXHICEINSA-N -1 3 367.445 4.214 20 0 FIADHM CC[C@H](c1nnc(NC(=O)c2cccc(OC)c2[O-])s1)c1ccccc1 ZINC000436816712 1099328364 /nfs/dbraw/zinc/32/83/64/1099328364.db2.gz UQZBWIUCBDWPSZ-ZDUSSCGKSA-N -1 3 369.446 4.047 20 0 FIADHM CCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c([O-])c1 ZINC000436827679 1099341537 /nfs/dbraw/zinc/34/15/37/1099341537.db2.gz FOUBAWNJERDURY-QGZVFWFLSA-N -1 3 350.418 4.463 20 0 FIADHM CCCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1-c1ccccc1C ZINC000436845720 1099363471 /nfs/dbraw/zinc/36/34/71/1099363471.db2.gz ABHJNKOQWLZMEG-UHFFFAOYSA-N -1 3 365.433 4.100 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1[O-] ZINC000436864095 1099373780 /nfs/dbraw/zinc/37/37/80/1099373780.db2.gz XVHANMRKXVCKKJ-UHFFFAOYSA-N -1 3 352.415 4.279 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1[O-] ZINC000436868820 1099380841 /nfs/dbraw/zinc/38/08/41/1099380841.db2.gz KLBJUKMQKURTKK-UHFFFAOYSA-N -1 3 362.429 4.096 20 0 FIADHM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001212017998 1099384467 /nfs/dbraw/zinc/38/44/67/1099384467.db2.gz JGEJMFMWGLDQBE-NEPJUHHUSA-N -1 3 350.311 4.488 20 0 FIADHM C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccccc1[O-] ZINC000436857833 1099389141 /nfs/dbraw/zinc/38/91/41/1099389141.db2.gz YKGJTNUNYVISJA-YVEFUNNKSA-N -1 3 365.351 4.013 20 0 FIADHM COc1cc(-c2nc(C(C)(C)c3ccc(Cl)cc3)no2)cc(OC)c1[O-] ZINC000436883716 1099400503 /nfs/dbraw/zinc/40/05/03/1099400503.db2.gz BRYGUPKARDIHGT-UHFFFAOYSA-N -1 3 374.824 4.439 20 0 FIADHM CCc1ccc(-c2nc([C@](C)(CC)NC(=O)c3ccccc3)no2)c([O-])c1 ZINC000436889342 1099405284 /nfs/dbraw/zinc/40/52/84/1099405284.db2.gz XUPBAMXEFTUVHD-NRFANRHFSA-N -1 3 365.433 4.060 20 0 FIADHM Cc1ccc(-c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)c([O-])c1 ZINC000436887407 1099405333 /nfs/dbraw/zinc/40/53/33/1099405333.db2.gz OOWAIYWBDNLWIM-UHFFFAOYSA-N -1 3 364.323 4.497 20 0 FIADHM Cc1ccccc1NC(=O)Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436891176 1099407443 /nfs/dbraw/zinc/40/74/43/1099407443.db2.gz HYVPXZKDZIYMQG-UHFFFAOYSA-N -1 3 359.385 4.085 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000436892762 1099411096 /nfs/dbraw/zinc/41/10/96/1099411096.db2.gz NBECZWBPPAQZKN-MRXNPFEDSA-N -1 3 363.379 4.398 20 0 FIADHM O=C1C[C@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CN1c1ccccc1 ZINC000436933484 1099447878 /nfs/dbraw/zinc/44/78/78/1099447878.db2.gz UGWHMLNGBSLRMR-INIZCTEOSA-N -1 3 371.396 4.116 20 0 FIADHM Cc1cc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)ccc1-n1cncn1 ZINC000436937132 1099448964 /nfs/dbraw/zinc/44/89/64/1099448964.db2.gz DHPZZZOQAAQUJP-UHFFFAOYSA-N -1 3 361.405 4.122 20 0 FIADHM O=C(c1ccccc1[O-])N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000436965509 1099464689 /nfs/dbraw/zinc/46/46/89/1099464689.db2.gz SODMNVABCATEAQ-QGZVFWFLSA-N -1 3 363.417 4.200 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(-c2cscn2)no1 ZINC000436956750 1099474035 /nfs/dbraw/zinc/47/40/35/1099474035.db2.gz OXSNDMCTSJJKMN-UHFFFAOYSA-N -1 3 351.387 4.145 20 0 FIADHM O=C(c1c([O-])cccc1F)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000436990765 1099495111 /nfs/dbraw/zinc/49/51/11/1099495111.db2.gz PUWFBBRKKPASPZ-CQSZACIVSA-N -1 3 359.788 4.038 20 0 FIADHM Cc1cc(C)n(-c2ccc(Cc3noc(-c4ccc(C)cc4[O-])n3)cc2)n1 ZINC000436996565 1099502108 /nfs/dbraw/zinc/50/21/08/1099502108.db2.gz DIFLWEMRFMRVPY-UHFFFAOYSA-N -1 3 360.417 4.144 20 0 FIADHM CCc1c([N-]C(=O)c2coc(-c3ccccc3)n2)onc1C(F)(F)F ZINC000505946125 1099554037 /nfs/dbraw/zinc/55/40/37/1099554037.db2.gz DPXCLYOPYVPBCW-UHFFFAOYSA-N -1 3 351.284 4.163 20 0 FIADHM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000516701162 1099733458 /nfs/dbraw/zinc/73/34/58/1099733458.db2.gz IUSXIWRRJXFYAL-SNVBAGLBSA-N -1 3 369.364 4.198 20 0 FIADHM CC(C)c1ccc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001625982825 1099755463 /nfs/dbraw/zinc/75/54/63/1099755463.db2.gz SAJWNRFHLGJZFW-UHFFFAOYSA-N -1 3 367.367 4.343 20 0 FIADHM Cc1nc([C@H](C)N2C[C@H](C(=O)[O-])C[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000263139352 1099766828 /nfs/dbraw/zinc/76/68/28/1099766828.db2.gz DLZNLOXNFKUJSK-CORIIIEPSA-N -1 3 362.857 4.407 20 0 FIADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473582093 1100047932 /nfs/dbraw/zinc/04/79/32/1100047932.db2.gz HPGYWXOJICDWJZ-NSHDSACASA-N -1 3 351.324 4.306 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1Br ZINC000459462684 1100206320 /nfs/dbraw/zinc/20/63/20/1100206320.db2.gz LMVWWUDURDKEFV-AWEZNQCLSA-N -1 3 366.230 4.297 20 0 FIADHM C[C@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000517235884 1100209329 /nfs/dbraw/zinc/20/93/29/1100209329.db2.gz ZSNFXXVEJGDXFR-ZFWWWQNUSA-N -1 3 361.388 4.300 20 0 FIADHM CCOc1cc(CN2CCCC[C@@H]2c2nccn2CC)cc(Cl)c1[O-] ZINC000459514662 1100250447 /nfs/dbraw/zinc/25/04/47/1100250447.db2.gz QLMNFYATAGHRSB-MRXNPFEDSA-N -1 3 363.889 4.388 20 0 FIADHM CC(C)(CO)[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459531061 1100281704 /nfs/dbraw/zinc/28/17/04/1100281704.db2.gz ZOTKSBXFXICEKZ-QGZVFWFLSA-N -1 3 364.283 4.004 20 0 FIADHM O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)Nc1ncccc1[O-] ZINC000517317672 1100288978 /nfs/dbraw/zinc/28/89/78/1100288978.db2.gz WCIXLTMFTIUDTJ-UHFFFAOYSA-N -1 3 368.820 4.201 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)c1Cl ZINC000506225687 1100645175 /nfs/dbraw/zinc/64/51/75/1100645175.db2.gz ULRPVYNLIGWNBS-LBPRGKRZSA-N -1 3 374.289 4.048 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c1Cl ZINC000518051558 1100879474 /nfs/dbraw/zinc/87/94/74/1100879474.db2.gz OXIVFTBHMMHCJM-CQSZACIVSA-N -1 3 374.264 4.407 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c(C)c1 ZINC000438814451 1100927197 /nfs/dbraw/zinc/92/71/97/1100927197.db2.gz XEKBENQKFCXXAO-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000439052104 1101119735 /nfs/dbraw/zinc/11/97/35/1101119735.db2.gz DEHXIYVGHRZFOA-GOSISDBHSA-N -1 3 365.433 4.006 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)c1Cl ZINC000518344116 1101122421 /nfs/dbraw/zinc/12/24/21/1101122421.db2.gz FHNFWEMPHHWQPZ-JTQLQIEISA-N -1 3 364.319 4.273 20 0 FIADHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000473599992 1101169685 /nfs/dbraw/zinc/16/96/85/1101169685.db2.gz OWDJSZPCMDWOLJ-ZIAGYGMSSA-N -1 3 351.324 4.162 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(-c4ccccc4)cccc32)o1 ZINC000536895333 1101314777 /nfs/dbraw/zinc/31/47/77/1101314777.db2.gz ALJXMIVVIREBFV-SFHVURJKSA-N -1 3 369.442 4.057 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000648431351 1101326536 /nfs/dbraw/zinc/32/65/36/1101326536.db2.gz RNIWCFXCUYXQIG-IJLUTSLNSA-N -1 3 363.811 4.066 20 0 FIADHM CC(C)CC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCCC1 ZINC000648433295 1101329386 /nfs/dbraw/zinc/32/93/86/1101329386.db2.gz XCEMRZHTDNHSAQ-UHFFFAOYSA-N -1 3 351.800 4.066 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1csc(-c2ccoc2)n1 ZINC000518658347 1101384014 /nfs/dbraw/zinc/38/40/14/1101384014.db2.gz PMOSFQDOGHTAKM-UHFFFAOYSA-N -1 3 371.809 4.094 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000439680740 1101669045 /nfs/dbraw/zinc/66/90/45/1101669045.db2.gz GHXJNOMHWRRANW-LJQANCHMSA-N -1 3 374.484 4.403 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(Cl)s3)nc(=O)c2c1C ZINC000004242777 1101767694 /nfs/dbraw/zinc/76/76/94/1101767694.db2.gz AMKFKRZNPOGSFC-SSDOTTSWSA-N -1 3 368.867 4.234 20 0 FIADHM C[C@H](C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccc(F)cc1F ZINC001126468768 1101770616 /nfs/dbraw/zinc/77/06/16/1101770616.db2.gz FEENUKPLKYEQKM-SECBINFHSA-N -1 3 361.285 4.255 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCC[C@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000519057557 1101879200 /nfs/dbraw/zinc/87/92/00/1101879200.db2.gz VBWOGGQBWAUXBX-WMZOPIPTSA-N -1 3 368.481 4.494 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)n1 ZINC000064343122 1101955644 /nfs/dbraw/zinc/95/56/44/1101955644.db2.gz PXSVSODNOGALNV-UHFFFAOYSA-N -1 3 374.227 4.304 20 0 FIADHM CCc1ccc([C@H]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)C2)cc1 ZINC000519183951 1101993440 /nfs/dbraw/zinc/99/34/40/1101993440.db2.gz ZVRWORUBHYJBIE-SFHVURJKSA-N -1 3 373.880 4.469 20 0 FIADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000476267427 1102078382 /nfs/dbraw/zinc/07/83/82/1102078382.db2.gz TXZWRZAMOURTOW-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000022738685 1102090670 /nfs/dbraw/zinc/09/06/70/1102090670.db2.gz YYAGDOFIEYZUAG-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCc2c(O)cccc21 ZINC000476311490 1102104673 /nfs/dbraw/zinc/10/46/73/1102104673.db2.gz QHEGVVMGAGDIMR-ZDUSSCGKSA-N -1 3 351.324 4.175 20 0 FIADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(Br)cc3[O-])c21 ZINC000103430361 1102185857 /nfs/dbraw/zinc/18/58/57/1102185857.db2.gz RTXVDCSVYRIMMC-UHFFFAOYSA-N -1 3 359.223 4.126 20 0 FIADHM Cc1ccc(-c2ccc(CNC[C@@H](Oc3ccc(F)cc3)C(=O)[O-])o2)cc1 ZINC000426647251 1102237623 /nfs/dbraw/zinc/23/76/23/1102237623.db2.gz MKCHMKMOSNXAEL-HXUWFJFHSA-N -1 3 369.392 4.016 20 0 FIADHM O=C(NCc1ncccc1[O-])c1c(F)cccc1Sc1ccccc1 ZINC000473634874 1102338749 /nfs/dbraw/zinc/33/87/49/1102338749.db2.gz AEKACLFOTDVGJL-UHFFFAOYSA-N -1 3 354.406 4.008 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000121231815 1102349946 /nfs/dbraw/zinc/34/99/46/1102349946.db2.gz VBTDSGMRLZPPQK-UHFFFAOYSA-N -1 3 359.385 4.196 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c(C)c1O ZINC000614821952 1102356165 /nfs/dbraw/zinc/35/61/65/1102356165.db2.gz OIXCTQQCYXLYLD-UHFFFAOYSA-N -1 3 363.479 4.235 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(-c4ccoc4)c3)cc2)n1 ZINC000121501501 1102405653 /nfs/dbraw/zinc/40/56/53/1102405653.db2.gz IKMBCNZMSIHBLU-UHFFFAOYSA-N -1 3 371.396 4.258 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](Nc2ccccc2)C1 ZINC000110890841 1102424560 /nfs/dbraw/zinc/42/45/60/1102424560.db2.gz WKEDRUNLSSKZIV-NRFANRHFSA-N -1 3 372.468 4.310 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1 ZINC000121683767 1102434730 /nfs/dbraw/zinc/43/47/30/1102434730.db2.gz ZEIQGCYPLUSGAT-UHFFFAOYSA-N -1 3 366.461 4.279 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1[O-] ZINC000666635775 1102471924 /nfs/dbraw/zinc/47/19/24/1102471924.db2.gz XRDIVGYWVFNCNN-KRWDZBQOSA-N -1 3 362.429 4.096 20 0 FIADHM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000121959266 1102501045 /nfs/dbraw/zinc/50/10/45/1102501045.db2.gz ZGEFVGKQSDUSTO-ZDUSSCGKSA-N -1 3 366.417 4.320 20 0 FIADHM O=C(CCCCc1nc2ccccc2s1)Nc1n[n-]c(-c2ccco2)n1 ZINC000192596254 1102503171 /nfs/dbraw/zinc/50/31/71/1102503171.db2.gz PLPWIRYEEBODBM-UHFFFAOYSA-N -1 3 367.434 4.026 20 0 FIADHM CCc1cc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)sc1C ZINC000049302511 1102534813 /nfs/dbraw/zinc/53/48/13/1102534813.db2.gz XKKSXUSGKCIWCV-UHFFFAOYSA-N -1 3 367.474 4.184 20 0 FIADHM CC[C@H](C)Oc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000122568309 1102595012 /nfs/dbraw/zinc/59/50/12/1102595012.db2.gz FCDJNNZCLYRNST-ZDUSSCGKSA-N -1 3 368.408 4.405 20 0 FIADHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000608030781 1102632461 /nfs/dbraw/zinc/63/24/61/1102632461.db2.gz GQJKBYGKMNQBLQ-GDBMZVCRSA-N -1 3 356.274 4.002 20 0 FIADHM C[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F ZINC000476632123 1102641288 /nfs/dbraw/zinc/64/12/88/1102641288.db2.gz JODVQRKCOYBLQX-ZETCQYMHSA-N -1 3 357.806 4.031 20 0 FIADHM CSc1ccc(-c2nsc(NC(=O)c3cccc(C)c3[O-])n2)cc1 ZINC000440462750 1102642263 /nfs/dbraw/zinc/64/22/63/1102642263.db2.gz JUQDDSBPABUVQU-UHFFFAOYSA-N -1 3 357.460 4.193 20 0 FIADHM CSc1ccc(-c2nsc([N-]C(=O)c3cc(F)ccc3F)n2)cc1 ZINC000440463004 1102648048 /nfs/dbraw/zinc/64/80/48/1102648048.db2.gz DEPLMYONFOUBAQ-UHFFFAOYSA-N -1 3 363.414 4.458 20 0 FIADHM CC(C)(CCNCc1csc(-c2ccc(F)cc2)n1)CCC(=O)[O-] ZINC000426665337 1102648939 /nfs/dbraw/zinc/64/89/39/1102648939.db2.gz WBTADMAZIWYOIF-UHFFFAOYSA-N -1 3 350.459 4.320 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)C[C@H](C)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000473776239 1102727824 /nfs/dbraw/zinc/72/78/24/1102727824.db2.gz MHZRUHRLXIEQPS-RDBSUJKOSA-N -1 3 354.454 4.056 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)c(C)c1 ZINC000112039780 1102761018 /nfs/dbraw/zinc/76/10/18/1102761018.db2.gz KDQWSOXJDRTGQZ-UHFFFAOYSA-N -1 3 374.506 4.397 20 0 FIADHM COc1nccc([N-]c2nc3cc(Br)ccc3o2)c1Cl ZINC001211943243 1102879241 /nfs/dbraw/zinc/87/92/41/1102879241.db2.gz GSVBWPAAFDEGPX-UHFFFAOYSA-N -1 3 354.591 4.391 20 0 FIADHM Cc1c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c2ccccc2n1C ZINC000551114214 1102920492 /nfs/dbraw/zinc/92/04/92/1102920492.db2.gz QCENUYKPZNNEDY-UHFFFAOYSA-N -1 3 370.808 4.219 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@@H](CC(=O)[O-])c3ccsc3)s2)cc1 ZINC000426677052 1102922836 /nfs/dbraw/zinc/92/28/36/1102922836.db2.gz IVTCBUSFABIENS-INIZCTEOSA-N -1 3 358.488 4.486 20 0 FIADHM O=C([O-])[C@H](CNCc1coc(-c2ccccc2)n1)Cc1cccc(Cl)c1 ZINC000426694618 1102925376 /nfs/dbraw/zinc/92/53/76/1102925376.db2.gz DURSDEPBZFSEHL-INIZCTEOSA-N -1 3 370.836 4.028 20 0 FIADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1ccc(C(=O)[O-])cc1 ZINC000426694678 1102925527 /nfs/dbraw/zinc/92/55/27/1102925527.db2.gz JSRFPNWWQFSJEO-UHFFFAOYSA-N -1 3 369.852 4.131 20 0 FIADHM CC(C)(C)c1nc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cs1 ZINC000426704391 1102932578 /nfs/dbraw/zinc/93/25/78/1102932578.db2.gz KLVIOYONMDLKIR-CYBMUJFWSA-N -1 3 366.914 4.442 20 0 FIADHM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cc2ccccc2s1 ZINC000426724640 1102942915 /nfs/dbraw/zinc/94/29/15/1102942915.db2.gz URDWMJRWTRDFQZ-GOSISDBHSA-N -1 3 371.527 4.420 20 0 FIADHM CC(C)(C)c1nc(CNC[C@H](Cc2ccccc2Cl)C(=O)[O-])cs1 ZINC000426707533 1102945317 /nfs/dbraw/zinc/94/53/17/1102945317.db2.gz AKCQAGNUUAQMJA-ZDUSSCGKSA-N -1 3 366.914 4.127 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000426742422 1102959286 /nfs/dbraw/zinc/95/92/86/1102959286.db2.gz JPNBDLFLEYFVIY-ZBEGNZNMSA-N -1 3 355.331 4.396 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 ZINC000614842798 1102966457 /nfs/dbraw/zinc/96/64/57/1102966457.db2.gz SXDQOROBDWSRMA-OAHLLOKOSA-N -1 3 373.478 4.132 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000426754936 1102970214 /nfs/dbraw/zinc/97/02/14/1102970214.db2.gz VIDXXUAHYQJWEE-RDTXWAMCSA-N -1 3 352.459 4.362 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(Cl)c(F)c2)cc1 ZINC000426754426 1102970702 /nfs/dbraw/zinc/97/07/02/1102970702.db2.gz QFCRWKUDDURQMX-QGZVFWFLSA-N -1 3 351.805 4.183 20 0 FIADHM CCCc1cccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c1 ZINC000426759758 1102973541 /nfs/dbraw/zinc/97/35/41/1102973541.db2.gz OKAYMHOSUDMRKW-OAQYLSRUSA-N -1 3 363.461 4.130 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@@H](CC(=O)[O-])c3ccccc3C)s2)o1 ZINC000426772491 1102978725 /nfs/dbraw/zinc/97/87/25/1102978725.db2.gz KENGWPJQSOGYKA-INIZCTEOSA-N -1 3 356.447 4.326 20 0 FIADHM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1ccc(Br)cc1 ZINC000426806276 1102988302 /nfs/dbraw/zinc/98/83/02/1102988302.db2.gz JEJBGFVKFAYXTO-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM Cc1cc([C@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])ccc1Cl ZINC000426806372 1102988468 /nfs/dbraw/zinc/98/84/68/1102988468.db2.gz BTGNJDFHIVRUOS-HNNXBMFYSA-N -1 3 355.768 4.165 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)[n-]1 ZINC000551223981 1102991251 /nfs/dbraw/zinc/99/12/51/1102991251.db2.gz PFICDFQKTDFNFO-AWEZNQCLSA-N -1 3 364.401 4.194 20 0 FIADHM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cs1 ZINC000426795265 1102994925 /nfs/dbraw/zinc/99/49/25/1102994925.db2.gz XGZUJPDDUORPEL-LUCWBJGKSA-N -1 3 362.539 4.200 20 0 FIADHM CC(C)(C)c1nc(CN[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cs1 ZINC000426795264 1102995161 /nfs/dbraw/zinc/99/51/61/1102995161.db2.gz XGZUJPDDUORPEL-GGUBCUDOSA-N -1 3 362.539 4.200 20 0 FIADHM COc1ccc([C@@H](NCc2cccc([O-])c2Br)C2CC2)cc1 ZINC000459371981 1102999184 /nfs/dbraw/zinc/99/91/84/1102999184.db2.gz HOTFSTPAFSXTCU-SFHVURJKSA-N -1 3 362.267 4.404 20 0 FIADHM COc1ccc([C@H](NCc2cccc([O-])c2Br)C2CC2)cc1 ZINC000459371980 1102999612 /nfs/dbraw/zinc/99/96/12/1102999612.db2.gz HOTFSTPAFSXTCU-GOSISDBHSA-N -1 3 362.267 4.404 20 0 FIADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1F ZINC000426821349 1103017067 /nfs/dbraw/zinc/01/70/67/1103017067.db2.gz RYJYQLSWBJUENR-MRXNPFEDSA-N -1 3 366.230 4.202 20 0 FIADHM COc1cc(C)c(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1OC ZINC000426822182 1103017369 /nfs/dbraw/zinc/01/73/69/1103017369.db2.gz AGIVUYRSEDODNX-LJQANCHMSA-N -1 3 371.477 4.441 20 0 FIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000506994288 1103018234 /nfs/dbraw/zinc/01/82/34/1103018234.db2.gz HHVCBZZJOYYUSS-UHFFFAOYSA-N -1 3 361.463 4.087 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(F)c(F)c1)c1cccc(Br)c1 ZINC000426827072 1103024207 /nfs/dbraw/zinc/02/42/07/1103024207.db2.gz GYUJTRWXJFGDJF-HNNXBMFYSA-N -1 3 370.193 4.033 20 0 FIADHM CCCOCc1ccccc1CNCc1cccc([O-])c1Br ZINC000459379432 1103024808 /nfs/dbraw/zinc/02/48/08/1103024808.db2.gz AEBQIJJZQAUPJC-UHFFFAOYSA-N -1 3 364.283 4.371 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C(C)C)c(C)s2)sc1Cl ZINC000473852806 1103162649 /nfs/dbraw/zinc/16/26/49/1103162649.db2.gz GGUDOSCPSSIIHM-UHFFFAOYSA-N -1 3 364.945 4.077 20 0 FIADHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2s1 ZINC000427125703 1103281261 /nfs/dbraw/zinc/28/12/61/1103281261.db2.gz GMNOGEZRQMWGAZ-UHFFFAOYSA-N -1 3 356.831 4.198 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)c1nccs1 ZINC000551499193 1103286018 /nfs/dbraw/zinc/28/60/18/1103286018.db2.gz MVSBNFFZGQJADW-CYBMUJFWSA-N -1 3 358.916 4.350 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n1 ZINC000477354879 1103393422 /nfs/dbraw/zinc/39/34/22/1103393422.db2.gz PJXJTSYKOFIWDP-NSHDSACASA-N -1 3 374.441 4.237 20 0 FIADHM CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c3cccc1c32 ZINC000519619417 1103746897 /nfs/dbraw/zinc/74/68/97/1103746897.db2.gz WPAGNHSWPIYSLJ-CZUORRHYSA-N -1 3 363.461 4.089 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000440993256 1104064789 /nfs/dbraw/zinc/06/47/89/1104064789.db2.gz VKIXUBAYLMJSIU-GHMZBOCLSA-N -1 3 357.278 4.431 20 0 FIADHM O=C(Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)c1cnn[n-]1 ZINC000520127896 1104094191 /nfs/dbraw/zinc/09/41/91/1104094191.db2.gz KAAXVPYBRAPUNT-UHFFFAOYSA-N -1 3 367.167 4.295 20 0 FIADHM O=C(Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)c1c[n-]nn1 ZINC000520127896 1104094202 /nfs/dbraw/zinc/09/42/02/1104094202.db2.gz KAAXVPYBRAPUNT-UHFFFAOYSA-N -1 3 367.167 4.295 20 0 FIADHM O=C(Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)c1cn[n-]n1 ZINC000520127896 1104094215 /nfs/dbraw/zinc/09/42/15/1104094215.db2.gz KAAXVPYBRAPUNT-UHFFFAOYSA-N -1 3 367.167 4.295 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCCc3ccccc3)nc2)n1 ZINC000520268839 1104218147 /nfs/dbraw/zinc/21/81/47/1104218147.db2.gz HMMGUXGWQNDAMY-UHFFFAOYSA-N -1 3 362.477 4.053 20 0 FIADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c([O-])c1 ZINC000188775093 1104750445 /nfs/dbraw/zinc/75/04/45/1104750445.db2.gz GWNIEHDKEZBTDF-ZDUSSCGKSA-N -1 3 361.825 4.022 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c(Br)c1 ZINC000189732906 1104841091 /nfs/dbraw/zinc/84/10/91/1104841091.db2.gz JWXHVXVUCIELFY-UHFFFAOYSA-N -1 3 366.689 4.273 20 0 FIADHM O=S(=O)([N-]c1ccsc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000189745711 1104841893 /nfs/dbraw/zinc/84/18/93/1104841893.db2.gz ZZLUEJVIUPZKIN-UHFFFAOYSA-N -1 3 359.753 4.360 20 0 FIADHM CC(C)(C)c1cnc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000417548640 1104958229 /nfs/dbraw/zinc/95/82/29/1104958229.db2.gz RHWBROFHNZQHDC-CYBMUJFWSA-N -1 3 366.914 4.442 20 0 FIADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000417556696 1104968818 /nfs/dbraw/zinc/96/88/18/1104968818.db2.gz PNDNBQRWZUUAKB-INIZCTEOSA-N -1 3 351.805 4.183 20 0 FIADHM C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1C(F)(F)F ZINC000427960073 1105328636 /nfs/dbraw/zinc/32/86/36/1105328636.db2.gz SXEWIAFGOJRLOO-LLVKDONJSA-N -1 3 355.331 4.360 20 0 FIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000508229702 1105359245 /nfs/dbraw/zinc/35/92/45/1105359245.db2.gz ASWYNHWMFREKAI-UHFFFAOYSA-N -1 3 356.850 4.409 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)s1 ZINC000450980206 1106864076 /nfs/dbraw/zinc/86/40/76/1106864076.db2.gz DJFVGGYQEZZBDN-UHFFFAOYSA-N -1 3 364.536 4.070 20 0 FIADHM CC(C)(C)c1cccc(OCCCN2CCc3occc3[C@@H]2C(=O)[O-])c1 ZINC000530167713 1106873863 /nfs/dbraw/zinc/87/38/63/1106873863.db2.gz YUKXESQTASHEMP-LJQANCHMSA-N -1 3 357.450 4.030 20 0 FIADHM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)CCCCF)c1ccccc1 ZINC000451008319 1106889097 /nfs/dbraw/zinc/88/90/97/1106889097.db2.gz FOGMOHJNBHALKM-OAHLLOKOSA-N -1 3 351.443 4.318 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(NCC(F)(F)F)c2)c(C)c1 ZINC000451085154 1106920783 /nfs/dbraw/zinc/92/07/83/1106920783.db2.gz BVHDRUOBARPVKQ-UHFFFAOYSA-N -1 3 358.385 4.078 20 0 FIADHM COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c2ncccc12 ZINC000530334445 1106970904 /nfs/dbraw/zinc/97/09/04/1106970904.db2.gz TZPJQTRNCLWYDV-UHFFFAOYSA-N -1 3 354.381 4.050 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2COC(C)C)sc1Cl ZINC000530386449 1106995021 /nfs/dbraw/zinc/99/50/21/1106995021.db2.gz CQPLZHZDPFMVCF-UHFFFAOYSA-N -1 3 373.927 4.113 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3c(F)cccc3OC)nc2)n1 ZINC000301476871 1107043912 /nfs/dbraw/zinc/04/39/12/1107043912.db2.gz WTIJFNFADLGJNG-LBPRGKRZSA-N -1 3 368.412 4.127 20 0 FIADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000530885582 1107392504 /nfs/dbraw/zinc/39/25/04/1107392504.db2.gz LFRISYSSFNHHNU-CQSZACIVSA-N -1 3 368.202 4.090 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1OCC1CC1 ZINC000523073796 1107542994 /nfs/dbraw/zinc/54/29/94/1107542994.db2.gz JKTOBSUFTTXQAZ-UHFFFAOYSA-N -1 3 362.223 4.196 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531155406 1107612492 /nfs/dbraw/zinc/61/24/92/1107612492.db2.gz GFINLZQTCVZHKA-IUCAKERBSA-N -1 3 366.177 4.462 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000531253668 1107704783 /nfs/dbraw/zinc/70/47/83/1107704783.db2.gz AKGONANVLIFMFG-ZYHUDNBSSA-N -1 3 368.177 4.175 20 0 FIADHM COc1ccccc1-c1nnc([N-]C(=O)c2csc(C(C)(C)C)n2)s1 ZINC000452524824 1107768850 /nfs/dbraw/zinc/76/88/50/1107768850.db2.gz QUDOUNKDVJUHRW-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM Cc1c([O-])ccc2c(CN[C@H](c3ccccc3)c3ccccn3)cc(=O)oc12 ZINC000025420401 1107819299 /nfs/dbraw/zinc/81/92/99/1107819299.db2.gz UOAPWBTXOHIFKQ-JOCHJYFZSA-N -1 3 372.424 4.081 20 0 FIADHM CCCC1(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCC1 ZINC000531562703 1107982624 /nfs/dbraw/zinc/98/26/24/1107982624.db2.gz BTUGYFBVSYNXFN-UHFFFAOYSA-N -1 3 354.454 4.250 20 0 FIADHM CO[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1(C)C ZINC000452839966 1107988079 /nfs/dbraw/zinc/98/80/79/1107988079.db2.gz FMXJNKYJNPAYDV-NRFANRHFSA-N -1 3 367.489 4.065 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(C)c1 ZINC000523460169 1108235642 /nfs/dbraw/zinc/23/56/42/1108235642.db2.gz ZPKUMXGPZMLCPH-UHFFFAOYSA-N -1 3 373.478 4.043 20 0 FIADHM CC(C)(C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1F ZINC000523458349 1108250007 /nfs/dbraw/zinc/25/00/07/1108250007.db2.gz MQJZWYHWDWZWLE-UHFFFAOYSA-N -1 3 352.203 4.210 20 0 FIADHM CCC1(CC)CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000532033831 1108599068 /nfs/dbraw/zinc/59/90/68/1108599068.db2.gz GJQBBTSQCSTVQQ-UHFFFAOYSA-N -1 3 354.454 4.202 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3c[nH]c4ccccc43)nc(=O)c2c1C ZINC000005137506 1108790996 /nfs/dbraw/zinc/79/09/96/1108790996.db2.gz MMCQTHQXZPNGMJ-JTQLQIEISA-N -1 3 367.430 4.001 20 0 FIADHM COc1ccc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)c(F)c1 ZINC000445560811 1108871195 /nfs/dbraw/zinc/87/11/95/1108871195.db2.gz HYCZWBSMDALJFJ-UHFFFAOYSA-N -1 3 350.349 4.334 20 0 FIADHM COc1cc(-c2nc(C(C)(C)c3ccccc3Cl)no2)cc(OC)c1[O-] ZINC000445682792 1108945242 /nfs/dbraw/zinc/94/52/42/1108945242.db2.gz ONWSNDNJEZONHE-UHFFFAOYSA-N -1 3 374.824 4.439 20 0 FIADHM O=S(=O)([N-]C1(c2ccc(C(F)(F)F)cc2)CCCC1)c1ccco1 ZINC000445750558 1108972907 /nfs/dbraw/zinc/97/29/07/1108972907.db2.gz KAKBQGWOAJSYLC-UHFFFAOYSA-N -1 3 359.369 4.046 20 0 FIADHM Cc1cc(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c(C)n1C1CCCCC1 ZINC000524418938 1109006521 /nfs/dbraw/zinc/00/65/21/1109006521.db2.gz NLAURBUHUNALLN-UHFFFAOYSA-N -1 3 363.465 4.069 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1Cl ZINC000524630197 1109104689 /nfs/dbraw/zinc/10/46/89/1109104689.db2.gz FWULWUWETQMFRE-UHFFFAOYSA-N -1 3 364.898 4.358 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1Cl ZINC000525020825 1109233579 /nfs/dbraw/zinc/23/35/79/1109233579.db2.gz OTPJMHHNJZVICQ-UHFFFAOYSA-N -1 3 369.870 4.245 20 0 FIADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000525010492 1109236934 /nfs/dbraw/zinc/23/69/34/1109236934.db2.gz UXQCYPXJSJMURK-AWEZNQCLSA-N -1 3 356.447 4.213 20 0 FIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn(-c2cccc(C)c2)nn1 ZINC000508586509 1109449755 /nfs/dbraw/zinc/44/97/55/1109449755.db2.gz HLZKZIUETRZAEB-UHFFFAOYSA-N -1 3 358.854 4.203 20 0 FIADHM O=[S@@](Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccc([O-])cc1 ZINC000447351233 1109521828 /nfs/dbraw/zinc/52/18/28/1109521828.db2.gz ODIRAFQYAQDLIN-VWLOTQADSA-N -1 3 356.418 4.418 20 0 FIADHM Cc1ccc([O-])c(NC(=O)c2c(C)cc(Br)cc2Cl)n1 ZINC000447632630 1109604103 /nfs/dbraw/zinc/60/41/03/1109604103.db2.gz MMKHFJWQZQQYDU-UHFFFAOYSA-N -1 3 355.619 4.072 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(OC(F)F)c(F)c1 ZINC000447792802 1109646212 /nfs/dbraw/zinc/64/62/12/1109646212.db2.gz ZXTCZGMHBFCYPZ-UHFFFAOYSA-N -1 3 369.723 4.020 20 0 FIADHM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000447860826 1109662402 /nfs/dbraw/zinc/66/24/02/1109662402.db2.gz JXLUWZZMWJPJFM-HXUWFJFHSA-N -1 3 352.409 4.137 20 0 FIADHM CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000527167144 1109708376 /nfs/dbraw/zinc/70/83/76/1109708376.db2.gz MADZNWFUKGYKHN-LBPRGKRZSA-N -1 3 371.462 4.015 20 0 FIADHM O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1cccc2n[n-]nc21 ZINC000527364566 1109750163 /nfs/dbraw/zinc/75/01/63/1109750163.db2.gz UHUYDHCJHYUEMH-KRWDZBQOSA-N -1 3 370.334 4.145 20 0 FIADHM CCOc1cc(C(=O)[N-]c2nc(-c3ccc(OCC)cc3)c(C)s2)on1 ZINC000448604738 1109835971 /nfs/dbraw/zinc/83/59/71/1109835971.db2.gz NXVZXLPPEKMLMF-UHFFFAOYSA-N -1 3 373.434 4.156 20 0 FIADHM COc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448612146 1109846811 /nfs/dbraw/zinc/84/68/11/1109846811.db2.gz IPROTXOFFHAIQN-IBGZPJMESA-N -1 3 357.425 4.226 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCCCC3(F)F)c2)n1 ZINC000448726470 1109873985 /nfs/dbraw/zinc/87/39/85/1109873985.db2.gz TVFCWLYFFKFSRN-OAHLLOKOSA-N -1 3 361.392 4.176 20 0 FIADHM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1cccc(Cl)c1Cl ZINC000528499097 1110006793 /nfs/dbraw/zinc/00/67/93/1110006793.db2.gz IGUPEIDBRIVVGV-INIZCTEOSA-N -1 3 371.289 4.208 20 0 FIADHM O=c1[n-]c(CN2CCCSc3ccccc32)nc2c3ccccc3oc21 ZINC000006996459 1110159857 /nfs/dbraw/zinc/15/98/57/1110159857.db2.gz XLEDRZWSNNBXII-UHFFFAOYSA-N -1 3 363.442 4.172 20 0 FIADHM Cc1ccccc1C1CC(N(C(=O)Cc2ccc([O-])c(F)c2)C2CC2)C1 ZINC000449995295 1110219466 /nfs/dbraw/zinc/21/94/66/1110219466.db2.gz LHJHOTQXHWEACB-UHFFFAOYSA-N -1 3 353.437 4.319 20 0 FIADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450112765 1110246557 /nfs/dbraw/zinc/24/65/57/1110246557.db2.gz JKVHKITUUSATDB-OAHLLOKOSA-N -1 3 356.441 4.400 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3scnc3C(C)C)s2)cc1 ZINC000450297098 1110279728 /nfs/dbraw/zinc/27/97/28/1110279728.db2.gz HIGBTRYXAMMFJQ-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM CSc1ccc([O-])c(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000667178465 1111376882 /nfs/dbraw/zinc/37/68/82/1111376882.db2.gz KWTMKYUYRQEMPX-KXBFYZLASA-N -1 3 357.475 4.012 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)cs1)c1cc(-c2ccccn2)no1 ZINC000462112041 1111501513 /nfs/dbraw/zinc/50/15/13/1111501513.db2.gz MDXQEXFJIGSBAM-UHFFFAOYSA-N -1 3 354.416 4.174 20 0 FIADHM COc1cccc(F)c1[C@@H](C)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000539357629 1111524235 /nfs/dbraw/zinc/52/42/35/1111524235.db2.gz NOSUKQSADWHHNR-LLVKDONJSA-N -1 3 367.380 4.080 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@H]34)cc2)n1 ZINC000552059417 1111561737 /nfs/dbraw/zinc/56/17/37/1111561737.db2.gz XSYIZJHHQCBFLM-ZYSHUDEJSA-N -1 3 365.477 4.290 20 0 FIADHM CCOc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000552307291 1111660010 /nfs/dbraw/zinc/66/00/10/1111660010.db2.gz BZXSHJFJTMYSEO-UHFFFAOYSA-N -1 3 365.832 4.223 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000478220808 1111719329 /nfs/dbraw/zinc/71/93/29/1111719329.db2.gz ATASDPSRQYMZEN-WMZOPIPTSA-N -1 3 359.416 4.446 20 0 FIADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cnn1-c1cccc(Cl)c1 ZINC000552780653 1111810707 /nfs/dbraw/zinc/81/07/07/1111810707.db2.gz KCCFISCLDIJXBL-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM Cc1ccc(-n2nc(C(=O)Nc3c([O-])cccc3Cl)c3c2CCC3)cc1 ZINC000552783492 1111811537 /nfs/dbraw/zinc/81/15/37/1111811537.db2.gz ZPQQCCMLGNYJRY-UHFFFAOYSA-N -1 3 367.836 4.281 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](C)c4ccccc43)c[n-]c12 ZINC000552845039 1111827051 /nfs/dbraw/zinc/82/70/51/1111827051.db2.gz FLABFFWWHJDIQE-GFCCVEGCSA-N -1 3 350.393 4.130 20 0 FIADHM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000553006607 1111879862 /nfs/dbraw/zinc/87/98/62/1111879862.db2.gz JBGKKWINKGMKMV-GOSISDBHSA-N -1 3 365.477 4.334 20 0 FIADHM CCNc1ccc(Cl)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000553125788 1111912884 /nfs/dbraw/zinc/91/28/84/1111912884.db2.gz ZMJMZQGQSFLTQT-UHFFFAOYSA-N -1 3 373.815 4.313 20 0 FIADHM Cc1cc(C)c(C[S@@](=O)c2ccc([O-])cc2)c(OCc2ccccc2)n1 ZINC000553521539 1111998528 /nfs/dbraw/zinc/99/85/28/1111998528.db2.gz FPYCAGUSDNSRPB-AREMUKBSSA-N -1 3 367.470 4.291 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(C4CC4)cc3)cc2)cc(=O)[n-]1 ZINC000479571725 1112076315 /nfs/dbraw/zinc/07/63/15/1112076315.db2.gz VUJYGBUTYJVUIV-UHFFFAOYSA-N -1 3 374.444 4.357 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000667589591 1112233307 /nfs/dbraw/zinc/23/33/07/1112233307.db2.gz YAVASAXPNFZIQQ-KRWDZBQOSA-N -1 3 367.474 4.276 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000667589591 1112233311 /nfs/dbraw/zinc/23/33/11/1112233311.db2.gz YAVASAXPNFZIQQ-KRWDZBQOSA-N -1 3 367.474 4.276 20 0 FIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000480230896 1112342907 /nfs/dbraw/zinc/34/29/07/1112342907.db2.gz DEEHJDATMZJYGQ-UHFFFAOYSA-N -1 3 373.261 4.028 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC[C@H](c3ccc4cccnc4n3)C2)c([O-])c1 ZINC000898646685 1112353735 /nfs/dbraw/zinc/35/37/35/1112353735.db2.gz UFWHKEDFEDTXQD-KRWDZBQOSA-N -1 3 361.445 4.089 20 0 FIADHM Cc1cc2oc(=O)cc(CSCc3cc(=O)[n-]c(C4CC4)n3)c2cc1C ZINC000842193838 1112477733 /nfs/dbraw/zinc/47/77/33/1112477733.db2.gz CMEKPLDFRFXFET-UHFFFAOYSA-N -1 3 368.458 4.216 20 0 FIADHM O=C(C/C=C/c1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000156534009 1112594288 /nfs/dbraw/zinc/59/42/88/1112594288.db2.gz ALTDHPBJOZGZQX-OWOJBTEDSA-N -1 3 364.214 4.014 20 0 FIADHM CC(C)c1scnc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000555023665 1112618772 /nfs/dbraw/zinc/61/87/72/1112618772.db2.gz MSOCPHOYDWEFNI-UHFFFAOYSA-N -1 3 350.513 4.493 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000482401294 1113243702 /nfs/dbraw/zinc/24/37/02/1113243702.db2.gz IHQUNHMXBXCXAU-UHFFFAOYSA-N -1 3 374.362 4.123 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cc(F)ccc1OCC1CC1 ZINC000482520059 1113283293 /nfs/dbraw/zinc/28/32/93/1113283293.db2.gz TXTFBZYSCQCITN-UHFFFAOYSA-N -1 3 361.388 4.421 20 0 FIADHM CC1(C)CO[C@@H](c2ccccc2)CN1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000568060868 1113349365 /nfs/dbraw/zinc/34/93/65/1113349365.db2.gz RAGCOUIONYODEX-WOJBJXKFSA-N -1 3 353.462 4.097 20 0 FIADHM CC1(C)CO[C@H](c2ccccc2)CN1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000568060865 1113349483 /nfs/dbraw/zinc/34/94/83/1113349483.db2.gz RAGCOUIONYODEX-PMACEKPBSA-N -1 3 353.462 4.097 20 0 FIADHM Cc1cc(Cl)ncc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907052521 1113509741 /nfs/dbraw/zinc/50/97/41/1113509741.db2.gz ZZYQBJQIKYEKKK-UHFFFAOYSA-N -1 3 368.846 4.099 20 0 FIADHM COc1cc(C(=O)NCC(C)(C)CCCc2ccccc2)cc(OC)c1[O-] ZINC000486748678 1113634638 /nfs/dbraw/zinc/63/46/38/1113634638.db2.gz CBBQRHSZMXMVGH-UHFFFAOYSA-N -1 3 371.477 4.188 20 0 FIADHM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)c1ccc(Cl)nc1 ZINC000031721631 1113814649 /nfs/dbraw/zinc/81/46/49/1113814649.db2.gz DJYZLMAPMLQJPQ-UHFFFAOYSA-N -1 3 362.813 4.342 20 0 FIADHM O=S(=O)([N-]Cc1csc2ccccc12)c1cc(F)ccc1Cl ZINC000488641483 1113965745 /nfs/dbraw/zinc/96/57/45/1113965745.db2.gz DMPOVKFSWRMGQX-UHFFFAOYSA-N -1 3 355.843 4.172 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1csc2c1CCCC2 ZINC000488677577 1113974657 /nfs/dbraw/zinc/97/46/57/1113974657.db2.gz LWUIZCOOTXEVFA-UHFFFAOYSA-N -1 3 366.280 4.025 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2c1cccc2Cl)c1cc(F)ccc1Cl ZINC000488700112 1113978173 /nfs/dbraw/zinc/97/81/73/1113978173.db2.gz MNBARGQOLDPRBT-AWEZNQCLSA-N -1 3 360.237 4.098 20 0 FIADHM Cc1cc(Br)ccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000489360043 1114095622 /nfs/dbraw/zinc/09/56/22/1114095622.db2.gz KQBZFIQCUPLDLS-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM O=S(=O)([N-]C[C@@H]1CCCCC(F)(F)C1)c1ccccc1C(F)(F)F ZINC000489999869 1114199720 /nfs/dbraw/zinc/19/97/20/1114199720.db2.gz HBYWMFIJKJZYIZ-LLVKDONJSA-N -1 3 371.371 4.199 20 0 FIADHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1c(F)cccc1F ZINC000490055723 1114210920 /nfs/dbraw/zinc/21/09/20/1114210920.db2.gz BMYUGJKQOZZDHY-MRVPVSSYSA-N -1 3 356.166 4.175 20 0 FIADHM CC[C@@H](c1ccc(Cl)cc1)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000572414635 1114636982 /nfs/dbraw/zinc/63/69/82/1114636982.db2.gz FYEQTOGEIDLYHF-SFHVURJKSA-N -1 3 361.873 4.331 20 0 FIADHM C[C@@H](Nc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1Cl)c1ccccc1 ZINC000590054991 1114890658 /nfs/dbraw/zinc/89/06/58/1114890658.db2.gz BNINOEOEJRGBJN-GFCCVEGCSA-N -1 3 364.840 4.297 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000590800006 1114976466 /nfs/dbraw/zinc/97/64/66/1114976466.db2.gz MSAJZKBLHMOLHR-ZWKOTPCHSA-N -1 3 368.481 4.494 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)Cc2ccccc2C(F)(F)F)[nH][n-]1 ZINC000591450155 1115081137 /nfs/dbraw/zinc/08/11/37/1115081137.db2.gz QURLHQGVPBYAHR-UHFFFAOYSA-N -1 3 359.351 4.007 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1C ZINC000591683177 1115122582 /nfs/dbraw/zinc/12/25/82/1115122582.db2.gz PKDMCOATQCNWNU-UHFFFAOYSA-N -1 3 368.458 4.078 20 0 FIADHM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(C(F)F)cc1 ZINC000573638129 1115159563 /nfs/dbraw/zinc/15/95/63/1115159563.db2.gz AHGIIHSWMGRQCZ-UHFFFAOYSA-N -1 3 363.332 4.069 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@@H]4CCC[C@@H]43)cc2)cc(=O)[n-]1 ZINC000574013830 1115230734 /nfs/dbraw/zinc/23/07/34/1115230734.db2.gz SSFUJMNDCIRAJP-AEFFLSMTSA-N -1 3 366.465 4.200 20 0 FIADHM Cc1c([O-])ccc2c(CSc3nc(-c4ccccc4)c[nH]3)cc(=O)oc12 ZINC000058627299 1115276400 /nfs/dbraw/zinc/27/64/00/1115276400.db2.gz ZYURNMQLOQVORN-UHFFFAOYSA-N -1 3 364.426 4.489 20 0 FIADHM CCS[C@H]1CC[C@@H](N(C)Cc2c(Br)cccc2C(=O)[O-])C1 ZINC000593739677 1115341494 /nfs/dbraw/zinc/34/14/94/1115341494.db2.gz GWFRKTVHACGASZ-NEPJUHHUSA-N -1 3 372.328 4.253 20 0 FIADHM CCS[C@@H]1CC[C@H](N(C)Cc2c(Br)cccc2C(=O)[O-])C1 ZINC000593739678 1115341609 /nfs/dbraw/zinc/34/16/09/1115341609.db2.gz GWFRKTVHACGASZ-NWDGAFQWSA-N -1 3 372.328 4.253 20 0 FIADHM CCOC(=O)[C@@H](C)Cc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000594660553 1115476449 /nfs/dbraw/zinc/47/64/49/1115476449.db2.gz NAFGNHUBVDLOGF-NSHDSACASA-N -1 3 372.371 4.022 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)c(C)c1 ZINC000596069286 1115573404 /nfs/dbraw/zinc/57/34/04/1115573404.db2.gz VLYDFFCADNAFSE-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1ccc(Br)cc1[O-] ZINC000601467308 1115642378 /nfs/dbraw/zinc/64/23/78/1115642378.db2.gz ROHUUAXXWDQYLA-GFCCVEGCSA-N -1 3 360.251 4.288 20 0 FIADHM CC(C)(C)OC(=O)CCC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000598143296 1115708108 /nfs/dbraw/zinc/70/81/08/1115708108.db2.gz WJINECUAOXMINH-UHFFFAOYSA-N -1 3 367.873 4.020 20 0 FIADHM CC/C=C(/C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061341517 1115830242 /nfs/dbraw/zinc/83/02/42/1115830242.db2.gz XLNXBWMOFVFHGE-WCSRMQSCSA-N -1 3 358.463 4.091 20 0 FIADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000230406041 1115926937 /nfs/dbraw/zinc/92/69/37/1115926937.db2.gz NBAYWGCDMWWZFW-UHFFFAOYSA-N -1 3 357.671 4.213 20 0 FIADHM O=C(NCc1ccc(OC2CCCCC2)cc1)NCc1ccc([O-])c(F)c1 ZINC000606663920 1115961658 /nfs/dbraw/zinc/96/16/58/1115961658.db2.gz DRFWMKWOCAAZEG-UHFFFAOYSA-N -1 3 372.440 4.242 20 0 FIADHM O=S(=O)([N-]c1ccc2nccn2c1)c1ccc(C2CCCCC2)cc1 ZINC000606752124 1115967624 /nfs/dbraw/zinc/96/76/24/1115967624.db2.gz JQGQLEDGHYXVQO-UHFFFAOYSA-N -1 3 355.463 4.183 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C4CCCC3CCC4)cc2)cc(=O)[n-]1 ZINC000608489394 1116114178 /nfs/dbraw/zinc/11/41/78/1116114178.db2.gz KRXPAHDXDWANJE-UHFFFAOYSA-N -1 3 352.438 4.097 20 0 FIADHM CCc1cc2c(CN[C@@H](C)c3c(F)cccc3OC)cc(=O)oc2cc1[O-] ZINC000174232794 1116123364 /nfs/dbraw/zinc/12/33/64/1116123364.db2.gz XKNXBCYTQCYUMH-LBPRGKRZSA-N -1 3 371.408 4.060 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2cccc(C)c2)c1 ZINC000534359245 1116190750 /nfs/dbraw/zinc/19/07/50/1116190750.db2.gz LBBUOMXJJQTDTG-FQEVSTJZSA-N -1 3 366.461 4.417 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1 ZINC000534690328 1116225421 /nfs/dbraw/zinc/22/54/21/1116225421.db2.gz GKBKLJQEUKXLTE-UHFFFAOYSA-N -1 3 372.446 4.240 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)CC(C)C)cc2)cc1 ZINC000462905747 1117839955 /nfs/dbraw/zinc/83/99/55/1117839955.db2.gz ZEAMTFZUELYKSA-INIZCTEOSA-N -1 3 374.506 4.417 20 0 FIADHM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000540497406 1118093724 /nfs/dbraw/zinc/09/37/24/1118093724.db2.gz RXSGLJDFGYXQMX-UHFFFAOYSA-N -1 3 351.493 4.305 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)[n-]n1 ZINC000540880025 1118291892 /nfs/dbraw/zinc/29/18/92/1118291892.db2.gz LECMLGGNBUJPSU-UHFFFAOYSA-N -1 3 373.409 4.015 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)n[n-]1 ZINC000540880025 1118291896 /nfs/dbraw/zinc/29/18/96/1118291896.db2.gz LECMLGGNBUJPSU-UHFFFAOYSA-N -1 3 373.409 4.015 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3/C=C\c3ccccc3)nc2)n1 ZINC000540940399 1118321516 /nfs/dbraw/zinc/32/15/16/1118321516.db2.gz JJQINVJPATURRQ-ZZLBYYGFSA-N -1 3 372.472 4.489 20 0 FIADHM O=C([N-]c1ncc(C2CCCCC2)s1)c1cc(-c2ccccn2)no1 ZINC000541072090 1118369916 /nfs/dbraw/zinc/36/99/16/1118369916.db2.gz LNEZXLADUPJXHN-UHFFFAOYSA-N -1 3 354.435 4.493 20 0 FIADHM CS[C@H](CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)(C)C ZINC000541263195 1118444545 /nfs/dbraw/zinc/44/45/45/1118444545.db2.gz YOPKSHCJYUMKJU-MRXNPFEDSA-N -1 3 374.510 4.057 20 0 FIADHM CCOc1ccc(C(C)(C)C(=O)Nc2cccc([O-])c2F)cc1OCC ZINC000541255013 1118447819 /nfs/dbraw/zinc/44/78/19/1118447819.db2.gz LGRJBJTVZFFAKX-UHFFFAOYSA-N -1 3 361.413 4.245 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC[C@H](C)CC)nc(=O)c2c1C ZINC000464795884 1118701005 /nfs/dbraw/zinc/70/10/05/1118701005.db2.gz SCYMZYLUIRDIOI-KOLCDFICSA-N -1 3 368.524 4.310 20 0 FIADHM O=C(Nc1ccc(OC(=O)c2cc3occc3[n-]2)cc1)c1ccsc1 ZINC000152197111 1119148853 /nfs/dbraw/zinc/14/88/53/1119148853.db2.gz MYVYALFRSGJHPM-UHFFFAOYSA-N -1 3 352.371 4.294 20 0 FIADHM CCCn1c(C)cc(-c2csc([N-]c3ncnc4nn(C)cc43)n2)c1C ZINC000178862138 1119413976 /nfs/dbraw/zinc/41/39/76/1119413976.db2.gz ZSZNVJMBRVZEFJ-UHFFFAOYSA-N -1 3 367.482 4.059 20 0 FIADHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000152828853 1119517502 /nfs/dbraw/zinc/51/75/02/1119517502.db2.gz HQONTKUEJKEWKQ-GOSISDBHSA-N -1 3 372.469 4.058 20 0 FIADHM O=C1c2cc(Cl)ccc2N[C@@H](c2cc([O-])cc(F)c2)N1c1ccncc1 ZINC000184610345 1119616892 /nfs/dbraw/zinc/61/68/92/1119616892.db2.gz YUDGATBZSQSRBG-GOSISDBHSA-N -1 3 369.783 4.351 20 0 FIADHM CC(C)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1Cl ZINC000189061410 1119826757 /nfs/dbraw/zinc/82/67/57/1119826757.db2.gz RCIMJVHNWPXWMY-UHFFFAOYSA-N -1 3 366.870 4.087 20 0 FIADHM CCC1(CC)Oc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2O1 ZINC000189078576 1119831440 /nfs/dbraw/zinc/83/14/40/1119831440.db2.gz RAGRCXDSRMYRNT-UHFFFAOYSA-N -1 3 364.401 4.068 20 0 FIADHM Cc1nc(CC2CC2)sc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000189180789 1119849517 /nfs/dbraw/zinc/84/95/17/1119849517.db2.gz HWVFBHFBPDFWLD-UHFFFAOYSA-N -1 3 362.505 4.236 20 0 FIADHM CCS[C@H]1CCCCN(Cn2c(Cc3cccs3)n[n-]c2=S)C1 ZINC000153115554 1119993863 /nfs/dbraw/zinc/99/38/63/1119993863.db2.gz SPMCGXYSSLXXLI-AWEZNQCLSA-N -1 3 368.597 4.158 20 0 FIADHM O=C([O-])[C@@H](NCc1cc(Br)c(Cl)s1)c1ccccc1 ZINC000227825092 1120399331 /nfs/dbraw/zinc/39/93/31/1120399331.db2.gz JJIDXPZBDUFVPA-NSHDSACASA-N -1 3 360.660 4.080 20 0 FIADHM CCN(Cc1noc(-c2ccc(C(C)C)cc2[O-])n1)C(=O)OC(C)(C)C ZINC000761945152 1120591339 /nfs/dbraw/zinc/59/13/39/1120591339.db2.gz GJTAHVVXEZKDRW-UHFFFAOYSA-N -1 3 361.442 4.323 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000914892156 1120629456 /nfs/dbraw/zinc/62/94/56/1120629456.db2.gz SFXGKYMUYCXLCK-NOLJZWGESA-N -1 3 362.495 4.106 20 0 FIADHM O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc2ccsc2[n-]1 ZINC000914891863 1120629761 /nfs/dbraw/zinc/62/97/61/1120629761.db2.gz QEDWJXLDGKVKIO-UHFFFAOYSA-N -1 3 359.794 4.290 20 0 FIADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000914892253 1120630111 /nfs/dbraw/zinc/63/01/11/1120630111.db2.gz WEFINZMVSIKRJJ-SUMWQHHRSA-N -1 3 370.474 4.288 20 0 FIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000914891392 1120630460 /nfs/dbraw/zinc/63/04/60/1120630460.db2.gz JZCVJBJJZAKMIN-BXUZGUMPSA-N -1 3 374.487 4.200 20 0 FIADHM COc1ccccc1NC(=O)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(C)C ZINC000914891849 1120630641 /nfs/dbraw/zinc/63/06/41/1120630641.db2.gz PKVJPRLBBZYPHJ-INIZCTEOSA-N -1 3 372.446 4.058 20 0 FIADHM CCOC(=O)C(=C([O-])CSc1ccc(C)c(C)c1)c1nc(C)cs1 ZINC000495323706 1120668578 /nfs/dbraw/zinc/66/85/78/1120668578.db2.gz ISZJDJOIDBHXDV-INIZCTEOSA-N -1 3 363.504 4.076 20 0 FIADHM CCOC(=O)C(=C([O-])CSc1cc(C)ccc1C)c1nc(C)cs1 ZINC000495333935 1120680533 /nfs/dbraw/zinc/68/05/33/1120680533.db2.gz ZGUMSHYYSRFMKS-INIZCTEOSA-N -1 3 363.504 4.076 20 0 FIADHM CSc1nc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2s1 ZINC000915188401 1120861008 /nfs/dbraw/zinc/86/10/08/1120861008.db2.gz KPBKSOIOOLYTEO-UHFFFAOYSA-N -1 3 367.455 4.112 20 0 FIADHM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000153566089 1120922352 /nfs/dbraw/zinc/92/23/52/1120922352.db2.gz LLDUOVSYMKLBII-UHFFFAOYSA-N -1 3 368.861 4.021 20 0 FIADHM COc1ccc(Br)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000234817455 1120930259 /nfs/dbraw/zinc/93/02/59/1120930259.db2.gz WXGISYPJKNWIHP-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM COc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1Br ZINC000234942948 1120935034 /nfs/dbraw/zinc/93/50/34/1120935034.db2.gz OZKUVGLOOGQPNK-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM CC(C)(C)CCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000915483289 1120956540 /nfs/dbraw/zinc/95/65/40/1120956540.db2.gz FUPSBSIXQLZZEL-IBGZPJMESA-N -1 3 369.461 4.233 20 0 FIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000033795339 1121130184 /nfs/dbraw/zinc/13/01/84/1121130184.db2.gz SYTGKUYUEHUSFL-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM CC(C)n1c(CCNC(=O)c2cc([O-])c3ccccc3c2)nc2ccccc21 ZINC000472163874 1121193531 /nfs/dbraw/zinc/19/35/31/1121193531.db2.gz VNMVSQCYGYTCBT-UHFFFAOYSA-N -1 3 373.456 4.449 20 0 FIADHM CN1CCCN(C(=O)c2cc([O-])c3ccccc3c2)c2cc(F)ccc21 ZINC000472206015 1121198320 /nfs/dbraw/zinc/19/83/20/1121198320.db2.gz OGPBFIWOLXNWDP-UHFFFAOYSA-N -1 3 350.393 4.171 20 0 FIADHM CC(C)OCCS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000043768098 1121207189 /nfs/dbraw/zinc/20/71/89/1121207189.db2.gz OLWNKFPGIMLSFO-NSHDSACASA-N -1 3 364.492 4.464 20 0 FIADHM O=C(N[C@H](c1nccs1)C(F)(F)F)c1cc([O-])c2ccccc2c1 ZINC000507575453 1121237770 /nfs/dbraw/zinc/23/77/70/1121237770.db2.gz ZFTWTQLGYUBSII-CYBMUJFWSA-N -1 3 352.337 4.035 20 0 FIADHM COc1ccc(-c2nc(CSCc3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000763213468 1121283955 /nfs/dbraw/zinc/28/39/55/1121283955.db2.gz SHBQGRDWXKAECV-UHFFFAOYSA-N -1 3 359.476 4.056 20 0 FIADHM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056078805 1121295413 /nfs/dbraw/zinc/29/54/13/1121295413.db2.gz KYNVDXVUGQCDAU-UHFFFAOYSA-N -1 3 361.228 4.107 20 0 FIADHM CC(C)(C)c1nn(-c2ccccc2Cl)cc1C=Cc1nccc(=O)[n-]1 ZINC000763292241 1121319160 /nfs/dbraw/zinc/31/91/60/1121319160.db2.gz KEZULYYSCHAZHJ-CMDGGOBGSA-N -1 3 354.841 4.489 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000057126366 1121353865 /nfs/dbraw/zinc/35/38/65/1121353865.db2.gz JWHUPQPKZJLCLN-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064477075 1121616155 /nfs/dbraw/zinc/61/61/55/1121616155.db2.gz GIKQZVMSGMMAEA-ZDUSSCGKSA-N -1 3 351.493 4.387 20 0 FIADHM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc21 ZINC000065069833 1121652622 /nfs/dbraw/zinc/65/26/22/1121652622.db2.gz ATIFEYDFWRRATQ-UHFFFAOYSA-N -1 3 358.463 4.169 20 0 FIADHM COc1ccc2[nH]cc(CC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c2c1 ZINC000125336259 1121770405 /nfs/dbraw/zinc/77/04/05/1121770405.db2.gz HPFPUAKVAUJKOF-UHFFFAOYSA-N -1 3 364.323 4.082 20 0 FIADHM CC[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000125412459 1121777790 /nfs/dbraw/zinc/77/77/90/1121777790.db2.gz CVKQKHOMXYVGRA-GFCCVEGCSA-N -1 3 357.454 4.023 20 0 FIADHM CCCc1sc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1CC ZINC001127420187 1121878044 /nfs/dbraw/zinc/87/80/44/1121878044.db2.gz WBXPMDFRKJHYOF-UHFFFAOYSA-N -1 3 371.462 4.178 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)c(F)cc1Cl ZINC000126681514 1121975867 /nfs/dbraw/zinc/97/58/67/1121975867.db2.gz WVTMOHTZRDUJEF-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM C[C@H](Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccc(F)cc1[O-] ZINC000186268122 1121993145 /nfs/dbraw/zinc/99/31/45/1121993145.db2.gz JVJGXRUIHWWNDB-KBPBESRZSA-N -1 3 368.412 4.101 20 0 FIADHM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001212404394 1122132635 /nfs/dbraw/zinc/13/26/35/1122132635.db2.gz AZTSSMUNHNIZSF-GXSJLCMTSA-N -1 3 358.916 4.053 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([O-])c1 ZINC000128049978 1122184418 /nfs/dbraw/zinc/18/44/18/1122184418.db2.gz UBJYOGLMVUWZDX-CQSZACIVSA-N -1 3 356.491 4.056 20 0 FIADHM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc([O-])c(Br)c1 ZINC000054682599 1122190277 /nfs/dbraw/zinc/19/02/77/1122190277.db2.gz AWJDAYRNKVFXFV-CQSZACIVSA-N -1 3 367.630 4.004 20 0 FIADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc([O-])c3F)c2c1 ZINC000128328163 1122240783 /nfs/dbraw/zinc/24/07/83/1122240783.db2.gz MFAFQSJSQQLEAZ-UHFFFAOYSA-N -1 3 352.365 4.218 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c(C)c1 ZINC000055633150 1122259008 /nfs/dbraw/zinc/25/90/08/1122259008.db2.gz YEMSYTQOSLFZRI-UHFFFAOYSA-N -1 3 371.458 4.414 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1csc(-c2ccccc2F)n1 ZINC000497574954 1122293529 /nfs/dbraw/zinc/29/35/29/1122293529.db2.gz NGMPWODAUUQZCZ-UHFFFAOYSA-N -1 3 364.405 4.014 20 0 FIADHM COc1cc(C(=O)[N-]c2ccccc2SC)sc1Br ZINC000128505441 1122323548 /nfs/dbraw/zinc/32/35/48/1122323548.db2.gz AIHAYNMOIHHOEH-UHFFFAOYSA-N -1 3 358.282 4.493 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000497673042 1122349555 /nfs/dbraw/zinc/34/95/55/1122349555.db2.gz SKTHVAHKFUHENF-KRWDZBQOSA-N -1 3 358.388 4.106 20 0 FIADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1 ZINC000917731473 1122420651 /nfs/dbraw/zinc/42/06/51/1122420651.db2.gz ARSQOICPNMWMFO-KHPPLWFESA-N -1 3 371.380 4.349 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CC)OC3CCCC3)c2)n1 ZINC000497838099 1122431698 /nfs/dbraw/zinc/43/16/98/1122431698.db2.gz XFAMFHKUFHHTCM-SFHVURJKSA-N -1 3 369.465 4.088 20 0 FIADHM CCc1ccc(-n2nc(C(=O)Nc3cccc([O-])c3F)c3c2CCC3)cc1 ZINC000129560406 1122636407 /nfs/dbraw/zinc/63/64/07/1122636407.db2.gz VGHACZBUSIYPQI-UHFFFAOYSA-N -1 3 365.408 4.020 20 0 FIADHM Cc1onc(C2CC2)c1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000556127413 1122675275 /nfs/dbraw/zinc/67/52/75/1122675275.db2.gz NSYURVPTDLALTQ-UHFFFAOYSA-N -1 3 368.462 4.290 20 0 FIADHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1cnsn1 ZINC000918552018 1122694627 /nfs/dbraw/zinc/69/46/27/1122694627.db2.gz SXKUYXBDGDMANC-UHFFFAOYSA-N -1 3 373.459 4.004 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cccnc1N1CCCCC1 ZINC000129956196 1122713215 /nfs/dbraw/zinc/71/32/15/1122713215.db2.gz HJCKYAMUAWPRHY-UHFFFAOYSA-N -1 3 365.355 4.049 20 0 FIADHM Cc1cc(CSc2ccccc2C(=O)Nc2cc(F)ccc2[O-])on1 ZINC000174870413 1122774886 /nfs/dbraw/zinc/77/48/86/1122774886.db2.gz OODDYOBKAAGCPX-UHFFFAOYSA-N -1 3 358.394 4.372 20 0 FIADHM Clc1ccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)cc2)cc1 ZINC000556598644 1122998490 /nfs/dbraw/zinc/99/84/90/1122998490.db2.gz RPRRRNWEXUZUDT-UHFFFAOYSA-N -1 3 353.857 4.079 20 0 FIADHM Clc1ccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)cc2)cc1 ZINC000556598644 1122998493 /nfs/dbraw/zinc/99/84/93/1122998493.db2.gz RPRRRNWEXUZUDT-UHFFFAOYSA-N -1 3 353.857 4.079 20 0 FIADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(C)c(F)cc2F)n1 ZINC000131616814 1123135685 /nfs/dbraw/zinc/13/56/85/1123135685.db2.gz ZUMVVLGXUPKLAU-UHFFFAOYSA-N -1 3 351.403 4.414 20 0 FIADHM CCCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1OCCC ZINC000556893042 1123170285 /nfs/dbraw/zinc/17/02/85/1123170285.db2.gz QBSCGWDDAUTWTH-UHFFFAOYSA-N -1 3 371.433 4.425 20 0 FIADHM CC(=O)c1cccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1[O-] ZINC000556891498 1123177936 /nfs/dbraw/zinc/17/79/36/1123177936.db2.gz BHNZUNGAKWJWBA-AWEZNQCLSA-N -1 3 351.324 4.270 20 0 FIADHM CC(=O)c1cccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c1[O-] ZINC000556891500 1123178253 /nfs/dbraw/zinc/17/82/53/1123178253.db2.gz BHNZUNGAKWJWBA-CQSZACIVSA-N -1 3 351.324 4.270 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2csc(Cc3ccccc3F)n2)c1[O-] ZINC000556893280 1123180034 /nfs/dbraw/zinc/18/00/34/1123180034.db2.gz URAIJSJBPDMJRL-UHFFFAOYSA-N -1 3 370.405 4.034 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1C ZINC000132801846 1123362192 /nfs/dbraw/zinc/36/21/92/1123362192.db2.gz PCSGTMOEERCVPY-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1SCc1cscn1 ZINC000132922621 1123383800 /nfs/dbraw/zinc/38/38/00/1123383800.db2.gz SPLQYZMVUQFGAH-UHFFFAOYSA-N -1 3 374.462 4.210 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2cc3c(C(C)C)nn(C)c3s2)s1 ZINC000079691242 1123916120 /nfs/dbraw/zinc/91/61/20/1123916120.db2.gz MWEWQXRYGQBJJK-UHFFFAOYSA-N -1 3 363.512 4.205 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3csc(C(C)C)n3)s2)cc1 ZINC000108248993 1124269107 /nfs/dbraw/zinc/26/91/07/1124269107.db2.gz IDTSPYZWUJAOEN-UHFFFAOYSA-N -1 3 358.492 4.270 20 0 FIADHM CC(C)c1ccc(-c2csc(NC(=O)c3cnn[n-]3)n2)c(C(C)C)c1 ZINC000616900006 1124409467 /nfs/dbraw/zinc/40/94/67/1124409467.db2.gz HJQYWGAUULXPHH-UHFFFAOYSA-N -1 3 355.467 4.427 20 0 FIADHM CC(C)c1ccc(-c2csc(NC(=O)c3c[n-]nn3)n2)c(C(C)C)c1 ZINC000616900006 1124409471 /nfs/dbraw/zinc/40/94/71/1124409471.db2.gz HJQYWGAUULXPHH-UHFFFAOYSA-N -1 3 355.467 4.427 20 0 FIADHM CC(C)c1ccc(-c2csc(NC(=O)c3cn[n-]n3)n2)c(C(C)C)c1 ZINC000616900006 1124409473 /nfs/dbraw/zinc/40/94/73/1124409473.db2.gz HJQYWGAUULXPHH-UHFFFAOYSA-N -1 3 355.467 4.427 20 0 FIADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000303761411 1124476039 /nfs/dbraw/zinc/47/60/39/1124476039.db2.gz FFHJVBGTXCNSTJ-VIFPVBQESA-N -1 3 364.319 4.273 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(-c2ccccc2Cl)n1 ZINC000303767953 1124478608 /nfs/dbraw/zinc/47/86/08/1124478608.db2.gz GNYWCEHCDRQUFM-UHFFFAOYSA-N -1 3 362.813 4.238 20 0 FIADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(F)c(F)cc1Cl ZINC000109110419 1124536065 /nfs/dbraw/zinc/53/60/65/1124536065.db2.gz HXDSFOOALMUTJS-UHFFFAOYSA-N -1 3 357.794 4.451 20 0 FIADHM O=C(N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000672159438 1124815561 /nfs/dbraw/zinc/81/55/61/1124815561.db2.gz WHYSRXZJNIAMHN-DZGCQCFKSA-N -1 3 374.366 4.043 20 0 FIADHM C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000111210993 1124873145 /nfs/dbraw/zinc/87/31/45/1124873145.db2.gz RLTSFKPHNFASDV-GFCCVEGCSA-N -1 3 374.868 4.100 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)c2c(c1)OCCCO2 ZINC000111211469 1124877539 /nfs/dbraw/zinc/87/75/39/1124877539.db2.gz QMNJJDQDINFCBM-UHFFFAOYSA-N -1 3 354.189 4.113 20 0 FIADHM [O-]c1cc(CN2CCc3c(Cl)cccc3C2)ccc1Br ZINC001236698970 1124888039 /nfs/dbraw/zinc/88/80/39/1124888039.db2.gz ORUDQLAUVCJYNE-UHFFFAOYSA-N -1 3 352.659 4.366 20 0 FIADHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2sccc2COC)cc1 ZINC000181421194 1124913194 /nfs/dbraw/zinc/91/31/94/1124913194.db2.gz WOEJXSOAPZALQU-CXAGYDPISA-N -1 3 370.474 4.369 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000182018739 1125211532 /nfs/dbraw/zinc/21/15/32/1125211532.db2.gz SHORNRDDYMVPAA-UHFFFAOYSA-N -1 3 361.206 4.011 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc2ccccc21 ZINC000007308745 210092615 /nfs/dbraw/zinc/09/26/15/210092615.db2.gz XRZHJNRPRMWUIX-NSHDSACASA-N -1 3 365.376 4.297 20 0 FIADHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000071972457 221390967 /nfs/dbraw/zinc/39/09/67/221390967.db2.gz GTDUAHFZHOZDKI-JTQLQIEISA-N -1 3 355.868 4.496 20 0 FIADHM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000071972456 221391639 /nfs/dbraw/zinc/39/16/39/221391639.db2.gz GTDUAHFZHOZDKI-SNVBAGLBSA-N -1 3 355.868 4.496 20 0 FIADHM CCCOc1c(Cl)cc(CNCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000020931564 520297078 /nfs/dbraw/zinc/29/70/78/520297078.db2.gz YFSADBIGDYWIMP-UHFFFAOYSA-N -1 3 363.841 4.125 20 0 FIADHM COC(=O)c1sccc1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000463282315 567830632 /nfs/dbraw/zinc/83/06/32/567830632.db2.gz BMAYTMKLAZYEPQ-UHFFFAOYSA-N -1 3 365.279 4.084 20 0 FIADHM CSc1cc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)ccc1F ZINC000461104379 567963271 /nfs/dbraw/zinc/96/32/71/567963271.db2.gz AEFVFYYDIPXDDK-UHFFFAOYSA-N -1 3 357.328 4.420 20 0 FIADHM O=c1[n-]c(-c2cnccn2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc21 ZINC000063837424 567988697 /nfs/dbraw/zinc/98/86/97/567988697.db2.gz DOJBACXHZNXGGO-UHFFFAOYSA-N -1 3 368.318 4.066 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)SC3CCCC3)nc(=O)c2c1C ZINC000007049964 568163906 /nfs/dbraw/zinc/16/39/06/568163906.db2.gz HOWAZCMZUXCEDI-JTQLQIEISA-N -1 3 366.508 4.207 20 0 FIADHM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000604264259 568237077 /nfs/dbraw/zinc/23/70/77/568237077.db2.gz XWMSDKJXXSLZDE-UHFFFAOYSA-N -1 3 356.451 4.494 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1[O-] ZINC000604901756 568384990 /nfs/dbraw/zinc/38/49/90/568384990.db2.gz GVYWXCHMQZKPFU-MRXNPFEDSA-N -1 3 361.825 4.164 20 0 FIADHM Clc1ccc(-c2nc(CSc3n[n-]c(-c4ccccn4)n3)co2)cc1 ZINC000604932681 568395202 /nfs/dbraw/zinc/39/52/02/568395202.db2.gz AKNIKBMQKZYCNV-UHFFFAOYSA-N -1 3 369.837 4.467 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c(C)c1C ZINC000604971329 568462495 /nfs/dbraw/zinc/46/24/95/568462495.db2.gz ZZZVOJDDOOLODO-UHFFFAOYSA-N -1 3 374.506 4.021 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc2cc(F)ccc2o1 ZINC000605121389 568574392 /nfs/dbraw/zinc/57/43/92/568574392.db2.gz CMUKYKKDIYBONK-UHFFFAOYSA-N -1 3 350.143 4.292 20 0 FIADHM CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC001165048924 721986510 /nfs/dbraw/zinc/98/65/10/721986510.db2.gz QKZOXNVOJCYVOA-UHFFFAOYSA-N -1 3 359.873 4.369 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000078545226 1125557666 /nfs/dbraw/zinc/55/76/66/1125557666.db2.gz QYNPHNFPYZYRSU-UHFFFAOYSA-N -1 3 372.490 4.233 20 0 FIADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H](COC)Cc1ccccc1 ZINC001149130513 1079537848 /nfs/dbraw/zinc/53/78/48/1079537848.db2.gz JXJWJYQEAALXFQ-LJQANCHMSA-N -1 3 355.478 4.235 20 0 FIADHM Cc1cc(CN(C)C)cc(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001137563188 1079595908 /nfs/dbraw/zinc/59/59/08/1079595908.db2.gz XJMMLKYOUKMQGV-UHFFFAOYSA-N -1 3 352.356 4.033 20 0 FIADHM COc1ccc(C(C)=O)c(Nc2cc([O-])cc(F)c2)c1Br ZINC001208125926 1079700480 /nfs/dbraw/zinc/70/04/80/1079700480.db2.gz RJVXQABGMRDWOA-UHFFFAOYSA-N -1 3 354.175 4.249 20 0 FIADHM CCN(Cc1ncc(C(C)(C)C)o1)Cc1cc(Br)ccc1[O-] ZINC000076118516 1125779022 /nfs/dbraw/zinc/77/90/22/1125779022.db2.gz UWCLHDFPTYHPGE-UHFFFAOYSA-N -1 3 367.287 4.462 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000683171056 1079793060 /nfs/dbraw/zinc/79/30/60/1079793060.db2.gz FWRWJAQNTAOTPE-MRXNPFEDSA-N -1 3 354.233 4.308 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(-c3cccs3)s2)cc1 ZINC000683171826 1079800552 /nfs/dbraw/zinc/80/05/52/1079800552.db2.gz QEIKZVFOKFHYFU-OAHLLOKOSA-N -1 3 374.487 4.186 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(Cl)cc3cccnc32)cc1 ZINC000683172002 1079801994 /nfs/dbraw/zinc/80/19/94/1079801994.db2.gz SUYHIIMLBIZUEL-GOSISDBHSA-N -1 3 370.836 4.202 20 0 FIADHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000108999208 1079911084 /nfs/dbraw/zinc/91/10/84/1079911084.db2.gz PPWYJUDFWLCSAS-UHFFFAOYSA-N -1 3 352.391 4.160 20 0 FIADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)s1 ZINC000683196641 1079923640 /nfs/dbraw/zinc/92/36/40/1079923640.db2.gz PPOROCXJFFSDMV-UHFFFAOYSA-N -1 3 365.327 4.385 20 0 FIADHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000535614986 1080259683 /nfs/dbraw/zinc/25/96/83/1080259683.db2.gz AFDTUNXTWKSSLM-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM [O-]c1ccccc1-c1nc(CSc2ccc(Br)cc2)no1 ZINC000109479147 1080574126 /nfs/dbraw/zinc/57/41/26/1080574126.db2.gz AOOLXGZXNBFQHQ-UHFFFAOYSA-N -1 3 363.236 4.497 20 0 FIADHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000748094732 1080611757 /nfs/dbraw/zinc/61/17/57/1080611757.db2.gz FCRHGVSGVOVDPZ-UHFFFAOYSA-N -1 3 370.518 4.275 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3[C@H](c4ccccc4)[C@@H]3C)c2)n1 ZINC000430399986 1080892839 /nfs/dbraw/zinc/89/28/39/1080892839.db2.gz MNNPUWQQQSFZBJ-SZFUDVHCSA-N -1 3 373.456 4.400 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CC4)c4ccccc43)cc2)cc(=O)[n-]1 ZINC000547823827 1080936655 /nfs/dbraw/zinc/93/66/55/1080936655.db2.gz REQMTVBNCVVNKQ-UHFFFAOYSA-N -1 3 372.428 4.241 20 0 FIADHM CCc1onc(C)c1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000579911060 1080977372 /nfs/dbraw/zinc/97/73/72/1080977372.db2.gz QMSWQSPFAURBIP-AWEZNQCLSA-N -1 3 368.462 4.117 20 0 FIADHM C[C@]12CCN(Cc3c(C(=O)[O-])sc4cccc(F)c43)C[C@H]1C2(F)F ZINC000580097279 1081587553 /nfs/dbraw/zinc/58/75/53/1081587553.db2.gz GZXIDAILTNERTH-WBMJQRKESA-N -1 3 355.381 4.216 20 0 FIADHM Cc1ccc(C(=O)CC(C)(C)CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000548066478 1081723446 /nfs/dbraw/zinc/72/34/46/1081723446.db2.gz CIODGNWISKCZCD-UHFFFAOYSA-N -1 3 366.421 4.001 20 0 FIADHM Cc1ccc(C[C@H]2CCCN(C(=O)NCc3ccc([O-])c(F)c3)C2)cc1 ZINC000580247798 1081776360 /nfs/dbraw/zinc/77/63/60/1081776360.db2.gz TUFGRCIADHTKSN-GOSISDBHSA-N -1 3 356.441 4.004 20 0 FIADHM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(C(=O)OC(C)C)ccc1Cl ZINC000610431309 1081860266 /nfs/dbraw/zinc/86/02/66/1081860266.db2.gz CQRBQXPJGZUABG-UHFFFAOYSA-N -1 3 372.755 4.392 20 0 FIADHM CC(C)Sc1c(Cl)cccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000580343997 1081875199 /nfs/dbraw/zinc/87/51/99/1081875199.db2.gz FENSCAUCOIAHPM-UHFFFAOYSA-N -1 3 363.870 4.466 20 0 FIADHM CC[C@H](c1ccc(Br)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809802 1081925964 /nfs/dbraw/zinc/92/59/64/1081925964.db2.gz ARIKNFXNLHPMAI-CZUORRHYSA-N -1 3 354.288 4.477 20 0 FIADHM COc1cccc(NC(=O)NN=c2[n-]c(Cl)c(Cl)cc2Cl)c1 ZINC000055169816 1082005899 /nfs/dbraw/zinc/00/58/99/1082005899.db2.gz BQDJRNDXRCZZRA-UHFFFAOYSA-N -1 3 361.616 4.199 20 0 FIADHM COc1cc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2cc1OC ZINC001167419958 1082021553 /nfs/dbraw/zinc/02/15/53/1082021553.db2.gz BYFDJIGNSSQCHY-UHFFFAOYSA-N -1 3 357.793 4.468 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(Cc3cccc(F)c3F)CC2)c(F)c1 ZINC000580580548 1082025958 /nfs/dbraw/zinc/02/59/58/1082025958.db2.gz DQHBYSSVQIYVCF-UHFFFAOYSA-N -1 3 363.379 4.257 20 0 FIADHM O=C([O-])C[C@@H]1CSCCN1[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000580777942 1082134149 /nfs/dbraw/zinc/13/41/49/1082134149.db2.gz AGKWWUOVXKWPFK-IEBWSBKVSA-N -1 3 361.894 4.322 20 0 FIADHM CC(C)=CCC[N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br ZINC001211504856 1082232302 /nfs/dbraw/zinc/23/23/02/1082232302.db2.gz QCNKPKLGJGKKRM-UHFFFAOYSA-N -1 3 366.708 4.046 20 0 FIADHM [O-]c1ccc(F)c(CNCc2ccc(-n3cnc4ccccc43)cc2)c1F ZINC000510369122 1082368465 /nfs/dbraw/zinc/36/84/65/1082368465.db2.gz KFVOKXKKWBNSNW-UHFFFAOYSA-N -1 3 365.383 4.299 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COC[C@@H]4CCCO4)nc(=O)c23)cc1C ZINC000656492143 1082480091 /nfs/dbraw/zinc/48/00/91/1082480091.db2.gz XIPXSSZZOBJAMM-HNNXBMFYSA-N -1 3 370.474 4.376 20 0 FIADHM Cc1sc2[n-]c(COC[C@H]3CCCO3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000656491783 1082482604 /nfs/dbraw/zinc/48/26/04/1082482604.db2.gz XEJXNXCPMARQCO-CQSZACIVSA-N -1 3 374.437 4.207 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3scnc3C(C)C)n2)cc1 ZINC000581410121 1082539920 /nfs/dbraw/zinc/53/99/20/1082539920.db2.gz FAMWVZPVLLDGPR-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM O=C([O-])[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)[C@H]2CCCC[C@H]12 ZINC000656763765 1082756726 /nfs/dbraw/zinc/75/67/26/1082756726.db2.gz HRFOSSAOMXQETB-IOASZLSFSA-N -1 3 372.292 4.338 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@H]2CCCC[C@@H]12 ZINC000656765194 1082757821 /nfs/dbraw/zinc/75/78/21/1082757821.db2.gz MKTMRKVTRUIYQL-XHSDSOJGSA-N -1 3 362.520 4.337 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(Cc3ccccc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656766369 1082759184 /nfs/dbraw/zinc/75/91/84/1082759184.db2.gz QVXPPXQHTUSMPO-IPMKNSEASA-N -1 3 370.518 4.199 20 0 FIADHM C/C=C/c1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000581747309 1082863774 /nfs/dbraw/zinc/86/37/74/1082863774.db2.gz BVTGAIWUOOQSRJ-NSCUHMNNSA-N -1 3 372.421 4.456 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(Br)c(Cl)c1 ZINC000261595903 1082914883 /nfs/dbraw/zinc/91/48/83/1082914883.db2.gz ITJBPHGOJSKCRG-GLQYFDAESA-N -1 3 372.690 4.320 20 0 FIADHM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H]1C[C@H](OCC)C1(C)C ZINC000581889583 1082977366 /nfs/dbraw/zinc/97/73/66/1082977366.db2.gz CBLAKIGIYNFCCT-SJORKVTESA-N -1 3 353.890 4.454 20 0 FIADHM CCC[C@@H](NC(=O)NCc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000471824076 1083063086 /nfs/dbraw/zinc/06/30/86/1083063086.db2.gz ZVKYQAMBUIXYTH-CQSZACIVSA-N -1 3 367.371 4.147 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2cnc(Cc3ccccc3)s2)s1 ZINC000087033060 1083107411 /nfs/dbraw/zinc/10/74/11/1083107411.db2.gz MMGPMLCDMROZNL-UHFFFAOYSA-N -1 3 358.492 4.036 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1 ZINC000023219495 1083156034 /nfs/dbraw/zinc/15/60/34/1083156034.db2.gz YBJBHGVNHRYDNH-HNNXBMFYSA-N -1 3 372.490 4.128 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC[C@H](C(C)C)CC3)cc2)n1 ZINC000510597235 1083188689 /nfs/dbraw/zinc/18/86/89/1083188689.db2.gz CBMJKHLYHWVYRK-JCNLHEQBSA-N -1 3 353.466 4.146 20 0 FIADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)c(Cl)c1 ZINC000471871068 1083207291 /nfs/dbraw/zinc/20/72/91/1083207291.db2.gz LCBZQHXJVIEIST-MRVPVSSYSA-N -1 3 351.193 4.114 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(C)C ZINC000431169827 1083369668 /nfs/dbraw/zinc/36/96/68/1083369668.db2.gz UPDIVBPZQMGIEB-UHFFFAOYSA-N -1 3 373.396 4.345 20 0 FIADHM Cn1cc2c(n1)CCC[C@@H]2[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843591554 1083372576 /nfs/dbraw/zinc/37/25/76/1083372576.db2.gz SXTNCWCEQOBUQO-LBPRGKRZSA-N -1 3 374.218 4.013 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3ncsc3C(C)C)n2)cc1 ZINC000685707802 1083446659 /nfs/dbraw/zinc/44/66/59/1083446659.db2.gz RWCFATFZIRWTFK-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM Cc1cc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)nn1C ZINC000610857279 1083760599 /nfs/dbraw/zinc/76/05/99/1083760599.db2.gz FMRKCFJFYMRUCF-UHFFFAOYSA-N -1 3 372.475 4.132 20 0 FIADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCC[C@H](C)CC(=O)[O-] ZINC000277166226 1083893356 /nfs/dbraw/zinc/89/33/56/1083893356.db2.gz DMOJLHCTPZZERH-ZDUSSCGKSA-N -1 3 363.889 4.041 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CCCC(C)(C)C3)cc2)n1 ZINC000535879780 1083914292 /nfs/dbraw/zinc/91/42/92/1083914292.db2.gz ICXXPBUKHSRBGT-HNNXBMFYSA-N -1 3 353.466 4.290 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000472035553 1084131120 /nfs/dbraw/zinc/13/11/20/1084131120.db2.gz RVLBSESIPPCJEQ-SFHVURJKSA-N -1 3 359.857 4.171 20 0 FIADHM Cc1ccc(C[C@H](CNCc2csc(-c3cccs3)n2)C(=O)[O-])cc1 ZINC000277289101 1084161069 /nfs/dbraw/zinc/16/10/69/1084161069.db2.gz MIQFGNNNWIUUEQ-OAHLLOKOSA-N -1 3 372.515 4.213 20 0 FIADHM O=C(Nc1ccccc1)[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000472051046 1084187002 /nfs/dbraw/zinc/18/70/02/1084187002.db2.gz CYOMVOSKOUYUDG-FQEVSTJZSA-N -1 3 350.393 4.001 20 0 FIADHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000277325392 1084250373 /nfs/dbraw/zinc/25/03/73/1084250373.db2.gz CMZGVFBSUZQVDO-XMMPIXPASA-N -1 3 365.882 4.345 20 0 FIADHM [O-]c1cc(F)cc(CNc2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000548621899 1084340800 /nfs/dbraw/zinc/34/08/00/1084340800.db2.gz JPKMURTUPWKFCL-LBPRGKRZSA-N -1 3 351.805 4.212 20 0 FIADHM COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(SC)ccc2[O-])cc1 ZINC000613111673 1084357401 /nfs/dbraw/zinc/35/74/01/1084357401.db2.gz PTHWTEQOPHYVSF-CQSZACIVSA-N -1 3 359.491 4.074 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3csc(CC(C)C)n3)s2)cc1 ZINC000536494011 1084410699 /nfs/dbraw/zinc/41/06/99/1084410699.db2.gz UYGACSLJLFETBG-UHFFFAOYSA-N -1 3 374.491 4.121 20 0 FIADHM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cc([O-])ccc1Cl ZINC000431794981 1084567459 /nfs/dbraw/zinc/56/74/59/1084567459.db2.gz CSUZWVMTZZOGGY-LJQANCHMSA-N -1 3 359.853 4.260 20 0 FIADHM CC(C)c1nc(CN(C)Cc2cccc([O-])c2Br)cs1 ZINC001140549981 1084576889 /nfs/dbraw/zinc/57/68/89/1084576889.db2.gz ABEHSRKAAPTQAU-UHFFFAOYSA-N -1 3 355.301 4.367 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4cc(C)c(C)cc4o3)cc2)n1 ZINC000173826705 1084700524 /nfs/dbraw/zinc/70/05/24/1084700524.db2.gz YTPCUGSJBAFSTK-UHFFFAOYSA-N -1 3 373.412 4.361 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2cnc(Cc3ccc(F)cc3)s2)s1 ZINC000589040272 1084777737 /nfs/dbraw/zinc/77/77/37/1084777737.db2.gz QHDUNQFFCCSAHS-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM CC(C)(C)OC(=O)Nc1cccc(CC(=O)Nc2cccc([O-])c2F)c1 ZINC000180246812 1084948471 /nfs/dbraw/zinc/94/84/71/1084948471.db2.gz BFIBJXUTVXEZON-UHFFFAOYSA-N -1 3 360.385 4.060 20 0 FIADHM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176679998 1085093944 /nfs/dbraw/zinc/09/39/44/1085093944.db2.gz DCLRQQTUWOVWIA-OUKQBFOZSA-N -1 3 371.437 4.041 20 0 FIADHM CC[C@H](c1nnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)o1)c1ccccc1 ZINC000159156133 1085097862 /nfs/dbraw/zinc/09/78/62/1085097862.db2.gz XLXDALMQZBQZOU-JSGCOSHPSA-N -1 3 356.451 4.269 20 0 FIADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCC2(CCOCC2)C1 ZINC000582551823 1085119204 /nfs/dbraw/zinc/11/92/04/1085119204.db2.gz QJTXDKPKAYRJSR-OAHLLOKOSA-N -1 3 358.265 4.012 20 0 FIADHM CC(C)c1ccc(C(=O)N(C)Cc2nccn2Cc2ccccc2)c([O-])c1 ZINC000075180214 1085514031 /nfs/dbraw/zinc/51/40/31/1085514031.db2.gz HAEMHPNKHZEFMH-UHFFFAOYSA-N -1 3 363.461 4.033 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccccc4C)C[C@@H]3C)nc2)n1 ZINC000077984028 1085630542 /nfs/dbraw/zinc/63/05/42/1085630542.db2.gz XWKPPNHJHIFOFD-WMZOPIPTSA-N -1 3 374.488 4.085 20 0 FIADHM CC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CCCC1 ZINC000652167700 1085734560 /nfs/dbraw/zinc/73/45/60/1085734560.db2.gz AQBVZQDFIGAMKH-QGZVFWFLSA-N -1 3 354.454 4.248 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000582802433 1085735043 /nfs/dbraw/zinc/73/50/43/1085735043.db2.gz AIERPKIORRIIIW-AWEZNQCLSA-N -1 3 368.742 4.384 20 0 FIADHM O=c1nc(CN2CCC[C@@H](CCF)C2)[n-]c2scc(-c3ccco3)c21 ZINC000661691955 1085738054 /nfs/dbraw/zinc/73/80/54/1085738054.db2.gz JNRJGYFVSOTYBJ-LBPRGKRZSA-N -1 3 361.442 4.229 20 0 FIADHM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1c([O-])cccc1Cl ZINC000582801707 1085743595 /nfs/dbraw/zinc/74/35/95/1085743595.db2.gz DMFMIOUYSAUYCN-UHFFFAOYSA-N -1 3 360.772 4.411 20 0 FIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c2ccccc12 ZINC000182264908 1085883493 /nfs/dbraw/zinc/88/34/93/1085883493.db2.gz DMRCWRFDFLLXBT-UHFFFAOYSA-N -1 3 372.421 4.047 20 0 FIADHM Cc1cc([C@@H](C)N(C)CCOc2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000652444636 1086066536 /nfs/dbraw/zinc/06/65/36/1086066536.db2.gz HBQBVVAGEWALGX-GFCCVEGCSA-N -1 3 371.355 4.377 20 0 FIADHM O=C([O-])[C@@H]1CN(CCc2cc(Cl)ccc2Cl)Cc2ccccc21 ZINC000652470053 1086088633 /nfs/dbraw/zinc/08/86/33/1086088633.db2.gz MLROFOBPPTYWEU-MRXNPFEDSA-N -1 3 350.245 4.220 20 0 FIADHM Cc1ccc(-c2csc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)n2)cc1 ZINC000652498535 1086135250 /nfs/dbraw/zinc/13/52/50/1086135250.db2.gz LKDBVWOUDQGHIN-MRXNPFEDSA-N -1 3 358.507 4.441 20 0 FIADHM C[C@]1(c2cccc(F)c2)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000652619981 1086289932 /nfs/dbraw/zinc/28/99/32/1086289932.db2.gz XNXZPKHBCULXIH-NRFANRHFSA-N -1 3 359.416 4.183 20 0 FIADHM CSc1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000663261614 1086342573 /nfs/dbraw/zinc/34/25/73/1086342573.db2.gz MHJKLKXMSWMPRG-ZDUSSCGKSA-N -1 3 361.410 4.404 20 0 FIADHM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc2C)n1 ZINC000150804740 1086352788 /nfs/dbraw/zinc/35/27/88/1086352788.db2.gz MHCYRZJWSBPPQU-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM Nc1c(Cl)c(Cl)nc(C(=O)[N-]N=C/C=C/c2ccccc2)c1Cl ZINC000254866975 1086377237 /nfs/dbraw/zinc/37/72/37/1086377237.db2.gz ZIFOMIOMBSDHFT-KELRLLDFSA-N -1 3 369.639 4.053 20 0 FIADHM COc1ccc(-c2nnn[n-]2)cc1NCc1c(C)cc(Cl)cc1Cl ZINC001167795787 1086388979 /nfs/dbraw/zinc/38/89/79/1086388979.db2.gz LEHAKMWPMLSDLO-UHFFFAOYSA-N -1 3 364.236 4.103 20 0 FIADHM COc1ccc(-c2nn[n-]n2)cc1NCc1c(C)cc(Cl)cc1Cl ZINC001167795787 1086388993 /nfs/dbraw/zinc/38/89/93/1086388993.db2.gz LEHAKMWPMLSDLO-UHFFFAOYSA-N -1 3 364.236 4.103 20 0 FIADHM C[C@@H]1CC[C@]2(CCN(Cc3ccc(C(=O)[O-])cc3Br)C2)C1 ZINC000583386953 1086635206 /nfs/dbraw/zinc/63/52/06/1086635206.db2.gz SWAZEMYQTNYNKT-PXAZEXFGSA-N -1 3 352.272 4.159 20 0 FIADHM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)ccn1 ZINC001213168953 1086653733 /nfs/dbraw/zinc/65/37/33/1086653733.db2.gz YGIQIHPVNJNLRP-UHFFFAOYSA-N -1 3 374.293 4.069 20 0 FIADHM COC(=O)c1cc(Br)cc(Nc2cc(F)c([O-])c(F)c2)c1C ZINC001213384268 1086681178 /nfs/dbraw/zinc/68/11/78/1086681178.db2.gz BJNPGOWITFTFCD-UHFFFAOYSA-N -1 3 372.165 4.272 20 0 FIADHM O=C(NNc1cccc(Cl)c1)c1cn[n-]c1-c1ccc(Cl)s1 ZINC000187817104 1086820670 /nfs/dbraw/zinc/82/06/70/1086820670.db2.gz LKUWWBZFIVDOIJ-UHFFFAOYSA-N -1 3 353.234 4.202 20 0 FIADHM O=C(NNc1cccc(Cl)c1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187817104 1086820688 /nfs/dbraw/zinc/82/06/88/1086820688.db2.gz LKUWWBZFIVDOIJ-UHFFFAOYSA-N -1 3 353.234 4.202 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(Cl)s1 ZINC000512143413 1086831829 /nfs/dbraw/zinc/83/18/29/1086831829.db2.gz QYKDPOMMHUBWNL-SNVBAGLBSA-N -1 3 351.827 4.109 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)s1 ZINC000512146470 1086836701 /nfs/dbraw/zinc/83/67/01/1086836701.db2.gz KSAQGQNFKWTONL-QMMMGPOBSA-N -1 3 369.817 4.248 20 0 FIADHM O=C(CSc1ccc2c3c(cccc31)CC2)NCc1ccc([O-])c(F)c1 ZINC000606536847 1086874363 /nfs/dbraw/zinc/87/43/63/1086874363.db2.gz QSWRIZROCGPLHM-UHFFFAOYSA-N -1 3 367.445 4.192 20 0 FIADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606537181 1086874513 /nfs/dbraw/zinc/87/45/13/1086874513.db2.gz WMEOQABRMWIVDW-SNVBAGLBSA-N -1 3 356.224 4.333 20 0 FIADHM Cc1cccc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1C ZINC000006632402 1086905761 /nfs/dbraw/zinc/90/57/61/1086905761.db2.gz RWNMSFXCQWXYSO-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000536104050 1086918429 /nfs/dbraw/zinc/91/84/29/1086918429.db2.gz UYIMKKSMAJJMDR-OLZOCXBDSA-N -1 3 350.187 4.036 20 0 FIADHM CCN(CCc1nccs1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000583758278 1086948520 /nfs/dbraw/zinc/94/85/20/1086948520.db2.gz BWVCUZXDOUAUHE-CQSZACIVSA-N -1 3 359.278 4.140 20 0 FIADHM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1c([O-])cccc1Cl ZINC000583841174 1086989445 /nfs/dbraw/zinc/98/94/45/1086989445.db2.gz HYEDTGHVQWDOOH-UHFFFAOYSA-N -1 3 362.813 4.489 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ncc(-c2ccccc2)o1 ZINC000151579181 1087159009 /nfs/dbraw/zinc/15/90/09/1087159009.db2.gz VTZOZEKOHVRDLX-JTQLQIEISA-N -1 3 368.867 4.096 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000584093202 1087167033 /nfs/dbraw/zinc/16/70/33/1087167033.db2.gz OSQKEHZXPQGLGN-UHFFFAOYSA-N -1 3 360.291 4.249 20 0 FIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1F ZINC001211612825 1087236526 /nfs/dbraw/zinc/23/65/26/1087236526.db2.gz HXZUZLMXLQHDAK-UHFFFAOYSA-N -1 3 372.849 4.041 20 0 FIADHM CCOC(=O)c1cnc(C(C)=Cc2ccc(SC(F)F)cc2)[n-]c1=O ZINC000588610564 1087464773 /nfs/dbraw/zinc/46/47/73/1087464773.db2.gz ZGAOYTSOZOREQX-NTMALXAHSA-N -1 3 366.389 4.234 20 0 FIADHM C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000685623372 1087647331 /nfs/dbraw/zinc/64/73/31/1087647331.db2.gz IIRKIXNFPSNWHZ-CQSZACIVSA-N -1 3 370.880 4.101 20 0 FIADHM C[C@H](S[C@@H]1CCO[C@H]1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000163521314 1087736236 /nfs/dbraw/zinc/73/62/36/1087736236.db2.gz KHJWRMCRAYCIGW-OUJBWJOFSA-N -1 3 362.476 4.216 20 0 FIADHM CCc1oc(C([O-])=C(C#N)C(=O)Nc2c(CC)cccc2CC)cc1C ZINC000162421843 1087939773 /nfs/dbraw/zinc/93/97/73/1087939773.db2.gz OTVYXTXIQWRHPB-MRXNPFEDSA-N -1 3 352.434 4.236 20 0 FIADHM CCCOc1c(Cl)cc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1OCC ZINC000424420472 1087973648 /nfs/dbraw/zinc/97/36/48/1087973648.db2.gz QPQKZDANCMHXIC-CXAGYDPISA-N -1 3 369.889 4.213 20 0 FIADHM COc1cc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc(OC)c1[O-] ZINC000186755807 1087980942 /nfs/dbraw/zinc/98/09/42/1087980942.db2.gz LQEFSZVFOJWHCV-GOSISDBHSA-N -1 3 367.445 4.092 20 0 FIADHM Cc1cccc(Oc2ncccc2NC(=O)c2cccc3n[n-]nc32)c1C ZINC000187377533 1088160387 /nfs/dbraw/zinc/16/03/87/1088160387.db2.gz NKOPNQSZPDPBHA-UHFFFAOYSA-N -1 3 359.389 4.014 20 0 FIADHM Cc1cn2cc(C(=O)[N-]c3cc(F)ccc3SCC(F)F)sc2n1 ZINC000505201582 1088251756 /nfs/dbraw/zinc/25/17/56/1088251756.db2.gz WOWNKADRFXIQFT-UHFFFAOYSA-N -1 3 371.409 4.453 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1c[nH]nc1-c1ccccc1F ZINC000514071065 1088691424 /nfs/dbraw/zinc/69/14/24/1088691424.db2.gz GUMXLHJAPMYTGF-UHFFFAOYSA-N -1 3 357.360 4.022 20 0 FIADHM [O-]C(=Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccccc1Cl ZINC001211647435 1088764654 /nfs/dbraw/zinc/76/46/54/1088764654.db2.gz PLHLIVUHQCMIAQ-UHFFFAOYSA-N -1 3 352.699 4.233 20 0 FIADHM CN(CCC1CCCCC1)[C@H](C(=O)[O-])c1ccccc1Br ZINC000659786774 1088857436 /nfs/dbraw/zinc/85/74/36/1088857436.db2.gz FBQUQJQWAIRNCU-INIZCTEOSA-N -1 3 354.288 4.477 20 0 FIADHM CC(C)C[C@@H](N)c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000414612024 1088866807 /nfs/dbraw/zinc/86/68/07/1088866807.db2.gz CQTSAUVESAHRSE-QGZVFWFLSA-N -1 3 353.422 4.067 20 0 FIADHM O=C([O-])c1cccc(Cl)c1CN1CCC2(CCc3ccccc3O2)CC1 ZINC000659801818 1088886826 /nfs/dbraw/zinc/88/68/26/1088886826.db2.gz KNBWXGPIYACXNS-UHFFFAOYSA-N -1 3 371.864 4.398 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC2(CCc3ccccc3O2)CC1 ZINC000659801910 1088887584 /nfs/dbraw/zinc/88/75/84/1088887584.db2.gz MJUCKTJCQOHPIT-IBGZPJMESA-N -1 3 371.864 4.326 20 0 FIADHM COc1cccc(Oc2ccc(CNCc3c(F)ccc([O-])c3F)cn2)c1 ZINC000509980895 1088971091 /nfs/dbraw/zinc/97/10/91/1088971091.db2.gz DRHGGLAGKCRIML-UHFFFAOYSA-N -1 3 372.371 4.156 20 0 FIADHM Cc1c(C(=O)[N-]c2nnc(C(F)(F)F)s2)sc2nccc(C)c12 ZINC000514541258 1089182690 /nfs/dbraw/zinc/18/26/90/1089182690.db2.gz ADZVZXHWRIGTPA-UHFFFAOYSA-N -1 3 358.370 4.036 20 0 FIADHM CC(C)(C)C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000514613692 1089269699 /nfs/dbraw/zinc/26/96/99/1089269699.db2.gz NBEOCYMITRPUHH-MRXNPFEDSA-N -1 3 357.429 4.106 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ncoc1-c1ccccc1Cl ZINC000435674937 1089856510 /nfs/dbraw/zinc/85/65/10/1089856510.db2.gz IXLFAFUZZFVPOY-UHFFFAOYSA-N -1 3 364.792 4.059 20 0 FIADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2nc(-c3cccs3)ns2)s1 ZINC000182122498 1090054562 /nfs/dbraw/zinc/05/45/62/1090054562.db2.gz GMGUQOSYOVKLOE-UHFFFAOYSA-N -1 3 373.431 4.490 20 0 FIADHM COc1cccc(SC)c1[N-]C(=O)c1sc([C@H](C)OC)nc1C ZINC000416127136 1090208301 /nfs/dbraw/zinc/20/83/01/1090208301.db2.gz YWFBAPZGUHDVCX-JTQLQIEISA-N -1 3 352.481 4.142 20 0 FIADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000472998353 1090420650 /nfs/dbraw/zinc/42/06/50/1090420650.db2.gz GDBIYAVJIAPJTL-QGZVFWFLSA-N -1 3 360.429 4.127 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1F)C1=Cc2ccccc2OCC1 ZINC000186920440 1090710363 /nfs/dbraw/zinc/71/03/63/1090710363.db2.gz PFXVTELTLXENJT-UHFFFAOYSA-N -1 3 353.802 4.044 20 0 FIADHM O=C([O-])CC1(CNCc2c(F)cccc2Br)CCCCC1 ZINC000417535951 1090915757 /nfs/dbraw/zinc/91/57/57/1090915757.db2.gz CTQKAOJEFVFRMG-UHFFFAOYSA-N -1 3 358.251 4.103 20 0 FIADHM CC(C)(C)c1cnc(CNC[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000417542980 1090918342 /nfs/dbraw/zinc/91/83/42/1090918342.db2.gz FMKVLJZMLXVWGV-CYBMUJFWSA-N -1 3 366.914 4.127 20 0 FIADHM Cc1ccccc1C[C@@H](CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417566949 1090929121 /nfs/dbraw/zinc/92/91/21/1090929121.db2.gz NVLQAGJAURVPNL-ZDUSSCGKSA-N -1 3 358.290 4.396 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(OC(F)F)c(Cl)c2)c2ccccc21 ZINC000417630034 1090944943 /nfs/dbraw/zinc/94/49/43/1090944943.db2.gz QTOPQDLAMGWSDP-UKRRQHHQSA-N -1 3 367.779 4.344 20 0 FIADHM O=C([N-]c1nc(-c2ccco2)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000047180883 1091498954 /nfs/dbraw/zinc/49/89/54/1091498954.db2.gz SHZMZUZXRCJKBG-UHFFFAOYSA-N -1 3 355.350 4.450 20 0 FIADHM O=C(CCCc1cc(Cl)sc1Cl)[N-]OCCC(F)(F)F ZINC000162792441 1091553930 /nfs/dbraw/zinc/55/39/30/1091553930.db2.gz WTSJRFZZXPOSRA-UHFFFAOYSA-N -1 3 350.189 4.378 20 0 FIADHM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000511710696 1091554706 /nfs/dbraw/zinc/55/47/06/1091554706.db2.gz VUHGJZLBWARSSJ-UHFFFAOYSA-N -1 3 359.491 4.291 20 0 FIADHM COC1CC(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000626227758 1091684230 /nfs/dbraw/zinc/68/42/30/1091684230.db2.gz GFGZDUHUQDUILF-UHFFFAOYSA-N -1 3 354.431 4.032 20 0 FIADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000326817956 1091772398 /nfs/dbraw/zinc/77/23/98/1091772398.db2.gz HHHMRMWFPAABHC-CQSZACIVSA-N -1 3 362.857 4.318 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C(C)C ZINC000432615474 1092001442 /nfs/dbraw/zinc/00/14/42/1092001442.db2.gz IAIVJSOVSXNBMB-UHFFFAOYSA-N -1 3 358.463 4.409 20 0 FIADHM COC(=O)c1cnc(SCc2nc(-c3ccccc3Cl)cs2)[n-]1 ZINC000432673688 1092060899 /nfs/dbraw/zinc/06/08/99/1092060899.db2.gz YJMZOQDVBOGLDU-UHFFFAOYSA-N -1 3 365.867 4.266 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(OCC3CC3)cc2)Cc2ccccc2)[n-]1 ZINC000432695551 1092124923 /nfs/dbraw/zinc/12/49/23/1092124923.db2.gz LSKOMQBQMKPSQH-HMMYKYKNSA-N -1 3 358.441 4.342 20 0 FIADHM CC1CCC(OC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)CC1 ZINC000550453876 1092371912 /nfs/dbraw/zinc/37/19/12/1092371912.db2.gz ZHBZDPDGLDAMLA-UHFFFAOYSA-N -1 3 351.874 4.246 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)[n-]1 ZINC000432882339 1092689761 /nfs/dbraw/zinc/68/97/61/1092689761.db2.gz YTMIZELBPFRLJM-UHFFFAOYSA-N -1 3 370.792 4.499 20 0 FIADHM CCc1nnc([C@H](C)Sc2nnc([N-]c3ccccc3F)s2)o1 ZINC000110134410 1092765010 /nfs/dbraw/zinc/76/50/10/1092765010.db2.gz OTPARKNTPPTDLU-QMMMGPOBSA-N -1 3 351.432 4.220 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)s1 ZINC000110380266 1092870479 /nfs/dbraw/zinc/87/04/79/1092870479.db2.gz BOPHQWLVJPUROM-UHFFFAOYSA-N -1 3 350.856 4.130 20 0 FIADHM O=C(CCCSc1ccc(Br)cc1)Nc1ncccc1[O-] ZINC000521723604 1092891073 /nfs/dbraw/zinc/89/10/73/1092891073.db2.gz QQQXFSBHACIBIT-UHFFFAOYSA-N -1 3 367.268 4.061 20 0 FIADHM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000442971493 1092898865 /nfs/dbraw/zinc/89/88/65/1092898865.db2.gz ZBRXZYAQHQNSQN-FQEVSTJZSA-N -1 3 360.457 4.362 20 0 FIADHM COc1cc2nc(-c3ccc(Cl)c(Cl)c3)[n-]c(=O)c2cc1OC ZINC000614110292 1092938272 /nfs/dbraw/zinc/93/82/72/1092938272.db2.gz JVISPWGUWYQFBT-UHFFFAOYSA-N -1 3 351.189 4.326 20 0 FIADHM O=c1nc(Cc2nc(-c3ccccc3)no2)[n-]c2sc3ccccc3c21 ZINC000614115307 1092949321 /nfs/dbraw/zinc/94/93/21/1092949321.db2.gz RHBBBFOVNPEPSD-UHFFFAOYSA-N -1 3 360.398 4.191 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn(Cc2ccccc2Cl)c1 ZINC000063803295 1093145983 /nfs/dbraw/zinc/14/59/83/1093145983.db2.gz VISPVGSQATVOQF-UHFFFAOYSA-N -1 3 362.216 4.196 20 0 FIADHM Cc1ncc(CNC(=O)Nc2ccc(Cl)cc2-c2ccccc2)c(=O)[n-]1 ZINC000443535336 1093248741 /nfs/dbraw/zinc/24/87/41/1093248741.db2.gz SZMFIBWOHLAZMD-UHFFFAOYSA-N -1 3 368.824 4.133 20 0 FIADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cc(Cl)ccc1Cl ZINC000522309879 1093293343 /nfs/dbraw/zinc/29/33/43/1093293343.db2.gz LYUAPDHNGUBQSR-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM Cn1nc(C2CCCCC2)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469013251 1093298718 /nfs/dbraw/zinc/29/87/18/1093298718.db2.gz PUTQJSOYSDBPSM-UHFFFAOYSA-N -1 3 359.445 4.274 20 0 FIADHM CSc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000029046223 1093447239 /nfs/dbraw/zinc/44/72/39/1093447239.db2.gz ZRZXQLXOOJVHJT-UHFFFAOYSA-N -1 3 351.493 4.244 20 0 FIADHM CNC(=O)c1cccc(CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000113772676 1093496688 /nfs/dbraw/zinc/49/66/88/1093496688.db2.gz WWPSNKDRLSFLNX-UHFFFAOYSA-N -1 3 374.466 4.073 20 0 FIADHM Cc1ccc2oc(SCc3nc4c5ccccc5oc4c(=O)[n-]3)nc2c1 ZINC000113776741 1093497231 /nfs/dbraw/zinc/49/72/31/1093497231.db2.gz KSPCRFNQVRDWJL-UHFFFAOYSA-N -1 3 363.398 4.411 20 0 FIADHM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000433298811 1093554330 /nfs/dbraw/zinc/55/43/30/1093554330.db2.gz ARJMMUKBQFTLLL-UHFFFAOYSA-N -1 3 355.781 4.189 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(-c2cccnc2)cc1 ZINC000474219418 1093594820 /nfs/dbraw/zinc/59/48/20/1093594820.db2.gz KYRCPXLYHPZUIA-CYBMUJFWSA-N -1 3 374.412 4.066 20 0 FIADHM CCOc1cc(CNc2ccc(N(C)C(=O)CC)cc2)cc(Cl)c1[O-] ZINC000895622055 1093638012 /nfs/dbraw/zinc/63/80/12/1093638012.db2.gz JQSUNNJORWDNFE-UHFFFAOYSA-N -1 3 362.857 4.429 20 0 FIADHM Cc1ccccc1-c1csc(NC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000097106643 1093798465 /nfs/dbraw/zinc/79/84/65/1093798465.db2.gz RYOGMKKYIABNKJ-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM CCC(C)(C)NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210268 1094316168 /nfs/dbraw/zinc/31/61/68/1094316168.db2.gz OZOAXTBATUZTSB-JTQLQIEISA-N -1 3 368.503 4.206 20 0 FIADHM Cc1ccc(-c2ccc(C)c(NC(=O)CCc3c(C)nc(C)[n-]c3=O)c2)o1 ZINC000280266051 1094317791 /nfs/dbraw/zinc/31/77/91/1094317791.db2.gz KFMVAVQDTCXCPQ-UHFFFAOYSA-N -1 3 365.433 4.247 20 0 FIADHM CC(C)CCN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C1CCCC1 ZINC000896281382 1094504276 /nfs/dbraw/zinc/50/42/76/1094504276.db2.gz JNQNMCZGQZXMRZ-UHFFFAOYSA-N -1 3 362.420 4.237 20 0 FIADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001141902475 1094773509 /nfs/dbraw/zinc/77/35/09/1094773509.db2.gz OGMXBMIAEYIULK-INIZCTEOSA-N -1 3 355.825 4.289 20 0 FIADHM CCCCOc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(Cl)c1 ZINC000474919905 1094910690 /nfs/dbraw/zinc/91/06/90/1094910690.db2.gz VYVROSRMSLNFFF-UHFFFAOYSA-N -1 3 374.828 4.458 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC3(C)CCC(C)CC3)cc2)cc(=O)[n-]1 ZINC000475009111 1095014604 /nfs/dbraw/zinc/01/46/04/1095014604.db2.gz IWOOENPNJKXNNH-UHFFFAOYSA-N -1 3 368.481 4.496 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2c(F)cc(Br)cc2F)s1 ZINC000443874788 1095139544 /nfs/dbraw/zinc/13/95/44/1095139544.db2.gz BWKAORGEHRIGGW-UHFFFAOYSA-N -1 3 360.179 4.244 20 0 FIADHM C[C@H](SC[C@H]1C[C@@H](O)C1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000421209693 1095431557 /nfs/dbraw/zinc/43/15/57/1095431557.db2.gz OUUJELUQLOTVBW-GARJFASQSA-N -1 3 362.476 4.222 20 0 FIADHM Cc1cccc(C2(CNC(=O)c3cc4c(cc3[O-])OCO4)CCCCC2)c1 ZINC001625925342 1095677353 /nfs/dbraw/zinc/67/73/53/1095677353.db2.gz ZYTPHCSXIOSMBR-UHFFFAOYSA-N -1 3 367.445 4.061 20 0 FIADHM Cc1ccc(CCSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000522830709 1095750049 /nfs/dbraw/zinc/75/00/49/1095750049.db2.gz RXBINXONUPNBJD-UHFFFAOYSA-N -1 3 362.458 4.164 20 0 FIADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000502909545 1095937277 /nfs/dbraw/zinc/93/72/77/1095937277.db2.gz GYVIGHZDGAZCGS-JKSUJKDBSA-N -1 3 374.506 4.417 20 0 FIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000103057893 1095944718 /nfs/dbraw/zinc/94/47/18/1095944718.db2.gz ZLZAXPGHCFBZIZ-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000273651866 1096281921 /nfs/dbraw/zinc/28/19/21/1096281921.db2.gz WOGSVKRYOCHGQS-UHFFFAOYSA-N -1 3 374.853 4.208 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccccc3C)c2)n1 ZINC000504328422 1096749638 /nfs/dbraw/zinc/74/96/38/1096749638.db2.gz HIOBADLDBBCUQT-UHFFFAOYSA-N -1 3 361.445 4.291 20 0 FIADHM O=C(Cc1csc2ccc(Cl)cc12)Nc1n[n-]c(-c2ccco2)n1 ZINC000504390508 1096768647 /nfs/dbraw/zinc/76/86/47/1096768647.db2.gz DXORZPKWFMDRKQ-UHFFFAOYSA-N -1 3 358.810 4.114 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1cccc(Cl)c1Cl ZINC000504547376 1096805912 /nfs/dbraw/zinc/80/59/12/1096805912.db2.gz NNEWHRZUKMDHBQ-CYBMUJFWSA-N -1 3 372.273 4.186 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C)c1C ZINC000515473767 1098616799 /nfs/dbraw/zinc/61/67/99/1098616799.db2.gz BGTJDJHXSVFTGM-UHFFFAOYSA-N -1 3 353.871 4.383 20 0 FIADHM Cc1cccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c1[O-] ZINC000436482560 1099043731 /nfs/dbraw/zinc/04/37/31/1099043731.db2.gz AVCDMYSVKNWGSJ-HNNXBMFYSA-N -1 3 350.418 4.248 20 0 FIADHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)cc1 ZINC000436478865 1099052849 /nfs/dbraw/zinc/05/28/49/1099052849.db2.gz RZWDGHMAICRGBC-UHFFFAOYSA-N -1 3 371.437 4.072 20 0 FIADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000436535866 1099090924 /nfs/dbraw/zinc/09/09/24/1099090924.db2.gz UFKRHXODKSKVLB-LBPRGKRZSA-N -1 3 353.340 4.133 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000436549361 1099097222 /nfs/dbraw/zinc/09/72/22/1099097222.db2.gz PFHQNRYXHCLNEY-KRWDZBQOSA-N -1 3 367.836 4.413 20 0 FIADHM COc1ccc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c([O-])c1 ZINC000436551762 1099097813 /nfs/dbraw/zinc/09/78/13/1099097813.db2.gz SBBMSXUQQVXKTJ-UHFFFAOYSA-N -1 3 359.853 4.149 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c([O-])c1 ZINC000436540471 1099106173 /nfs/dbraw/zinc/10/61/73/1099106173.db2.gz OXDGTNWRYHTTLF-LJQANCHMSA-N -1 3 363.461 4.380 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c([O-])c1 ZINC000436577459 1099113143 /nfs/dbraw/zinc/11/31/43/1099113143.db2.gz SBJWRPQEYYVVJC-OAHLLOKOSA-N -1 3 357.475 4.455 20 0 FIADHM COc1cc([C@H](C)NC(=O)c2ccccc2[O-])ccc1OC1CCCC1 ZINC000436581681 1099130069 /nfs/dbraw/zinc/13/00/69/1099130069.db2.gz GBFVWYTXPFIXPK-AWEZNQCLSA-N -1 3 355.434 4.213 20 0 FIADHM COc1ccc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c([O-])c1 ZINC000436582272 1099132605 /nfs/dbraw/zinc/13/26/05/1099132605.db2.gz HVIXGWHJBUQVJJ-UHFFFAOYSA-N -1 3 361.388 4.264 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000533521076 1099140357 /nfs/dbraw/zinc/14/03/57/1099140357.db2.gz UHEKZTBELMNENV-DLBZAZTESA-N -1 3 367.445 4.073 20 0 FIADHM C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436636937 1099164665 /nfs/dbraw/zinc/16/46/65/1099164665.db2.gz SXNMQXGWGSRDRZ-MWTRTKDXSA-N -1 3 373.452 4.317 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1[O-] ZINC000436654955 1099177333 /nfs/dbraw/zinc/17/73/33/1099177333.db2.gz BFVIORIPSJSJTJ-GFCCVEGCSA-N -1 3 371.408 4.014 20 0 FIADHM Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cccc(C)c1[O-] ZINC000436641256 1099183672 /nfs/dbraw/zinc/18/36/72/1099183672.db2.gz MSOYUVQFLBQACM-LJQANCHMSA-N -1 3 361.445 4.384 20 0 FIADHM Cc1[nH]nc(C(F)F)c1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436660796 1099208795 /nfs/dbraw/zinc/20/87/95/1099208795.db2.gz BFGOXOBVJZSSIJ-UHFFFAOYSA-N -1 3 371.387 4.399 20 0 FIADHM Cc1c(C(=O)[N-]c2csnc2-c2ccccc2)oc2c1C(=O)CCC2 ZINC000436721902 1099253867 /nfs/dbraw/zinc/25/38/67/1099253867.db2.gz ZAGCJMMHMHWNCH-UHFFFAOYSA-N -1 3 352.415 4.483 20 0 FIADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3ccc(O)cc3[O-])cc2)cs1 ZINC000436736852 1099256429 /nfs/dbraw/zinc/25/64/29/1099256429.db2.gz HQGRJFWMXGJWRS-LLVKDONJSA-N -1 3 354.431 4.021 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436737464 1099258612 /nfs/dbraw/zinc/25/86/12/1099258612.db2.gz KYEGWXUJUNZICO-INIZCTEOSA-N -1 3 365.351 4.484 20 0 FIADHM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000436743520 1099263664 /nfs/dbraw/zinc/26/36/64/1099263664.db2.gz XOFNMSSYEYXSEY-UHFFFAOYSA-N -1 3 363.461 4.084 20 0 FIADHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000516219194 1099273332 /nfs/dbraw/zinc/27/33/32/1099273332.db2.gz REVJMNVZKIXFGY-LBPRGKRZSA-N -1 3 357.841 4.467 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(F)c3ccccc32)c1 ZINC000436748801 1099283430 /nfs/dbraw/zinc/28/34/30/1099283430.db2.gz HGCFYPGPRDRRFY-GFCCVEGCSA-N -1 3 366.392 4.134 20 0 FIADHM CCCC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(OC)cc1 ZINC000436771553 1099293441 /nfs/dbraw/zinc/29/34/41/1099293441.db2.gz WUZXHYIEKYAIEN-KRWDZBQOSA-N -1 3 373.449 4.079 20 0 FIADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)c1ccccc1OC ZINC000436783331 1099315413 /nfs/dbraw/zinc/31/54/13/1099315413.db2.gz RBTXNIZFBPYJIB-CQSZACIVSA-N -1 3 373.449 4.031 20 0 FIADHM [O-]c1ccccc1-c1nc(CSCc2cccc(OC(F)F)c2)no1 ZINC000436785758 1099316901 /nfs/dbraw/zinc/31/69/01/1099316901.db2.gz GECXNROEZNOENF-UHFFFAOYSA-N -1 3 364.373 4.477 20 0 FIADHM COc1ccccc1Oc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000436796691 1099326363 /nfs/dbraw/zinc/32/63/63/1099326363.db2.gz KMFYDCMYOTYUTL-UHFFFAOYSA-N -1 3 365.385 4.454 20 0 FIADHM CCCOc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1OCCC ZINC000436805403 1099334551 /nfs/dbraw/zinc/33/45/51/1099334551.db2.gz CUDXJXNHFTUIBR-UHFFFAOYSA-N -1 3 359.422 4.231 20 0 FIADHM CCc1ccc(-c2nc(-c3cc(Cl)c(OC)c(OC)c3)no2)c([O-])c1 ZINC000436843307 1099360366 /nfs/dbraw/zinc/36/03/66/1099360366.db2.gz ZPRSEPHBJFJPDX-UHFFFAOYSA-N -1 3 360.797 4.342 20 0 FIADHM CCc1ccc(-c2nc(-c3ccc(NC(=O)NC(C)C)cc3)no2)c([O-])c1 ZINC000436852433 1099369359 /nfs/dbraw/zinc/36/93/59/1099369359.db2.gz OOZQCFVPFZOIGV-UHFFFAOYSA-N -1 3 366.421 4.202 20 0 FIADHM COc1ccc(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2OC)c([O-])c1 ZINC000436863268 1099373475 /nfs/dbraw/zinc/37/34/75/1099373475.db2.gz IFGQYJKQWMACHS-KDOFPFPSSA-N -1 3 355.434 4.023 20 0 FIADHM COC(=O)c1cc(C)c(Nc2ccc([O-])c(F)c2F)c(Br)c1 ZINC001212010930 1099375477 /nfs/dbraw/zinc/37/54/77/1099375477.db2.gz IKVDNSYRZDQANR-UHFFFAOYSA-N -1 3 372.165 4.272 20 0 FIADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(OC)c([O-])c(OC)c2)o1 ZINC000436867630 1099378867 /nfs/dbraw/zinc/37/88/67/1099378867.db2.gz DPTQRFNXYKAKOH-BBRMVZONSA-N -1 3 373.449 4.178 20 0 FIADHM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001212018001 1099385065 /nfs/dbraw/zinc/38/50/65/1099385065.db2.gz JGEJMFMWGLDQBE-VXGBXAGGSA-N -1 3 350.311 4.488 20 0 FIADHM Cc1ccc(-c2nc(Cc3ccc(OCc4ccncc4)cc3)no2)c([O-])c1 ZINC000436901407 1099428535 /nfs/dbraw/zinc/42/85/35/1099428535.db2.gz HCQKKHNSRRUHGG-UHFFFAOYSA-N -1 3 373.412 4.315 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3cccc(-c4cscn4)c3)no2)c1 ZINC000436950150 1099444855 /nfs/dbraw/zinc/44/48/55/1099444855.db2.gz MHYUQKPXAKTJIF-UHFFFAOYSA-N -1 3 351.387 4.241 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3cccc4ccc(OC)cc43)no2)c1 ZINC000436936253 1099448042 /nfs/dbraw/zinc/44/80/42/1099448042.db2.gz NCPYEIQKAUIORF-UHFFFAOYSA-N -1 3 362.385 4.203 20 0 FIADHM COCC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000436946895 1099458638 /nfs/dbraw/zinc/45/86/38/1099458638.db2.gz YFAWUHSPZYYKIE-UHFFFAOYSA-N -1 3 354.431 4.034 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC000436970895 1099477301 /nfs/dbraw/zinc/47/73/01/1099477301.db2.gz GKAQKINKWFZCRO-HNNXBMFYSA-N -1 3 357.425 4.340 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC=C(c3cccc(OC)c3)C2)c([O-])c1 ZINC000436988913 1099493716 /nfs/dbraw/zinc/49/37/16/1099493716.db2.gz QIGFYILBHNXPJO-UHFFFAOYSA-N -1 3 367.445 4.119 20 0 FIADHM O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000161884072 1099549245 /nfs/dbraw/zinc/54/92/45/1099549245.db2.gz QLJYATMXMYRUCY-UHFFFAOYSA-N -1 3 368.820 4.201 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3Cc4ccccc4C[C@H]3C)cc2)cc(=O)[n-]1 ZINC000437743493 1100144269 /nfs/dbraw/zinc/14/42/69/1100144269.db2.gz HXMZSBFHXGNIME-CQSZACIVSA-N -1 3 374.444 4.136 20 0 FIADHM CCCCCn1cc(CNCc2cccc([O-])c2Br)c(C)n1 ZINC000459447809 1100181301 /nfs/dbraw/zinc/18/13/01/1100181301.db2.gz HLAKKCDZYTWOAN-UHFFFAOYSA-N -1 3 366.303 4.140 20 0 FIADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1cccc([O-])c1Br ZINC000459482370 1100217310 /nfs/dbraw/zinc/21/73/10/1100217310.db2.gz QLLLZSALCCYTNR-LLVKDONJSA-N -1 3 366.303 4.265 20 0 FIADHM CSc1c(F)cccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000437824986 1100230339 /nfs/dbraw/zinc/23/03/39/1100230339.db2.gz SMYGZCZTMLEOHF-UHFFFAOYSA-N -1 3 368.393 4.331 20 0 FIADHM CSc1c(F)cccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000437824986 1100230348 /nfs/dbraw/zinc/23/03/48/1100230348.db2.gz SMYGZCZTMLEOHF-UHFFFAOYSA-N -1 3 368.393 4.331 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1[O-] ZINC000536730710 1100239897 /nfs/dbraw/zinc/23/98/97/1100239897.db2.gz CPIDDONTTIPGNS-KRWDZBQOSA-N -1 3 369.852 4.462 20 0 FIADHM [O-]c1cccc(CN2CCC(Cc3cccnc3)CC2)c1Br ZINC000459488961 1100246729 /nfs/dbraw/zinc/24/67/29/1100246729.db2.gz WSYHWTKUTBJDQT-UHFFFAOYSA-N -1 3 361.283 4.004 20 0 FIADHM COC[C@H](NCc1cccc([O-])c1Br)c1ccc(Cl)cc1 ZINC000459516040 1100256347 /nfs/dbraw/zinc/25/63/47/1100256347.db2.gz NFUNKXXUVIPQNX-AWEZNQCLSA-N -1 3 370.674 4.285 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCOc3c(F)ccc(F)c32)c1Br ZINC000459563845 1100313118 /nfs/dbraw/zinc/31/31/18/1100313118.db2.gz VVNAGJMSTPLIAE-GFCCVEGCSA-N -1 3 370.193 4.046 20 0 FIADHM CCOc1cc(CN[C@@H]2COc3cccc(Cl)c32)cc(Cl)c1[O-] ZINC000459573356 1100320971 /nfs/dbraw/zinc/32/09/71/1100320971.db2.gz VKPCANFVQKWGHI-CYBMUJFWSA-N -1 3 354.233 4.321 20 0 FIADHM CCN(Cc1ccc2ccccc2c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506174830 1100404441 /nfs/dbraw/zinc/40/44/41/1100404441.db2.gz NUWRPXBWLZTPTD-UHFFFAOYSA-N -1 3 356.425 4.344 20 0 FIADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000506188613 1100509521 /nfs/dbraw/zinc/50/95/21/1100509521.db2.gz HXLDYTUZSLZMSS-GFCCVEGCSA-N -1 3 374.362 4.380 20 0 FIADHM COc1cccc(C(=O)Nc2c(-c3cccs3)nc3ccccn32)c1[O-] ZINC000517989210 1100845013 /nfs/dbraw/zinc/84/50/13/1100845013.db2.gz GDSCJWCEMJFOOP-UHFFFAOYSA-N -1 3 365.414 4.029 20 0 FIADHM Cc1ccccc1[C@@]1(F)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000506351761 1100908203 /nfs/dbraw/zinc/90/82/03/1100908203.db2.gz QEOUKLQKXKHPKE-OAQYLSRUSA-N -1 3 359.416 4.260 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(C)c1 ZINC000509593390 1100988161 /nfs/dbraw/zinc/98/81/61/1100988161.db2.gz WSRXTEPXZRGGSD-UHFFFAOYSA-N -1 3 373.478 4.125 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C1CCCC1 ZINC001211845931 1100994899 /nfs/dbraw/zinc/99/48/99/1100994899.db2.gz DKGMTTTYSQXECC-MRXNPFEDSA-N -1 3 364.536 4.366 20 0 FIADHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C2CC2)n1 ZINC000438979274 1101061463 /nfs/dbraw/zinc/06/14/63/1101061463.db2.gz OLPORTCVYUNJFF-CQSZACIVSA-N -1 3 370.565 4.240 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c(CN(C)C)c1 ZINC000439007889 1101076442 /nfs/dbraw/zinc/07/64/42/1101076442.db2.gz MEJVDXVIWFLXPF-UHFFFAOYSA-N -1 3 366.552 4.216 20 0 FIADHM COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000439056619 1101123777 /nfs/dbraw/zinc/12/37/77/1101123777.db2.gz IWYPWPSMEDNVTK-CQSZACIVSA-N -1 3 363.413 4.264 20 0 FIADHM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439093454 1101147462 /nfs/dbraw/zinc/14/74/62/1101147462.db2.gz GWAKEQLFULMYEH-SECBINFHSA-N -1 3 370.630 4.214 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000536888335 1101305724 /nfs/dbraw/zinc/30/57/24/1101305724.db2.gz AJTHRINCEAVIAM-QWHCGFSZSA-N -1 3 350.187 4.036 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000648431928 1101319429 /nfs/dbraw/zinc/31/94/29/1101319429.db2.gz JHNVSHGYJMXJBV-SDDRHHMPSA-N -1 3 363.811 4.066 20 0 FIADHM C[C@@H](CCCc1ccccc1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431827 1101323010 /nfs/dbraw/zinc/32/30/10/1101323010.db2.gz GICJPRZQPQGIBK-LBPRGKRZSA-N -1 3 373.806 4.118 20 0 FIADHM CC[C@H]1CCc2c(sc3[n-]c(COc4ccc(OC)cc4)nc(=O)c23)C1 ZINC000518726633 1101474412 /nfs/dbraw/zinc/47/44/12/1101474412.db2.gz YJSJCZUCFFVPRV-LBPRGKRZSA-N -1 3 370.474 4.499 20 0 FIADHM COc1cc2c(cc1F)[n-]cc(C(=O)N(C)c1ccccc1C(C)C)c2=O ZINC000426404105 1101514595 /nfs/dbraw/zinc/51/45/95/1101514595.db2.gz NANAZTOMFNUKIN-UHFFFAOYSA-N -1 3 368.408 4.076 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cnc2ccsc2c1 ZINC000439565914 1101568839 /nfs/dbraw/zinc/56/88/39/1101568839.db2.gz SGTFNSJIIKHXTE-UHFFFAOYSA-N -1 3 359.259 4.404 20 0 FIADHM CCc1cccc(C(=O)N2CCC(=Cc3cccc(OC)c3)CC2)c1[O-] ZINC000532385775 1101723880 /nfs/dbraw/zinc/72/38/80/1101723880.db2.gz CKXVSWVVUJEMGH-UHFFFAOYSA-N -1 3 351.446 4.283 20 0 FIADHM CCCC(=O)Nc1ccc([O-])c(-c2cc(C)c3cc4c(cc3n2)OCO4)c1 ZINC000024513362 1101843233 /nfs/dbraw/zinc/84/32/33/1101843233.db2.gz OZGIOHWOMVCLCP-UHFFFAOYSA-N -1 3 364.401 4.383 20 0 FIADHM O=C([N-]Cc1cnn2ccccc12)C(F)(F)c1cccc(Cl)c1Cl ZINC001272039622 1101922229 /nfs/dbraw/zinc/92/22/29/1101922229.db2.gz PKDDJLLTPOOEGC-UHFFFAOYSA-N -1 3 370.186 4.049 20 0 FIADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000519120779 1101944571 /nfs/dbraw/zinc/94/45/71/1101944571.db2.gz VQUQRDDQNKGVIZ-AWEZNQCLSA-N -1 3 360.479 4.349 20 0 FIADHM O=C(CCCc1ccccc1)[N-]OCc1cc2ccccc2nc1Cl ZINC000760438805 1101969051 /nfs/dbraw/zinc/96/90/51/1101969051.db2.gz WDAJSAAGAMYULA-UHFFFAOYSA-N -1 3 354.837 4.459 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000476148227 1101984547 /nfs/dbraw/zinc/98/45/47/1101984547.db2.gz JKMXSFXDDMDTHA-QWRGUYRKSA-N -1 3 357.278 4.431 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000476159297 1101996950 /nfs/dbraw/zinc/99/69/50/1101996950.db2.gz NLVCEZPQACQVLD-UHFFFAOYSA-N -1 3 365.286 4.193 20 0 FIADHM COc1ccc(-c2cc3[n-]c(CN(C(C)C)C4CC4)nc(=O)c3s2)cc1 ZINC000073605556 1102011655 /nfs/dbraw/zinc/01/16/55/1102011655.db2.gz IFLLVLCJYDVEKW-UHFFFAOYSA-N -1 3 369.490 4.033 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3cc(Cl)ccc3F)n2)cc1 ZINC000103035183 1102088142 /nfs/dbraw/zinc/08/81/42/1102088142.db2.gz BGMWNNHZUBDGSO-UHFFFAOYSA-N -1 3 363.801 4.259 20 0 FIADHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000263374521 1102094580 /nfs/dbraw/zinc/09/45/80/1102094580.db2.gz WITDJSJHJHTGBO-VXGBXAGGSA-N -1 3 350.871 4.006 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1 ZINC000475832725 1102126488 /nfs/dbraw/zinc/12/64/88/1102126488.db2.gz PPOKIIVXNQXNFV-UHFFFAOYSA-N -1 3 368.458 4.257 20 0 FIADHM Cc1cccnc1[C@H](NCc1ncc(Br)cc1[O-])C(C)(C)C ZINC000897993487 1102155150 /nfs/dbraw/zinc/15/51/50/1102155150.db2.gz DQDQSLJGVPFUCK-INIZCTEOSA-N -1 3 364.287 4.130 20 0 FIADHM CCCCOc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2)cc1OC ZINC000263505260 1102200792 /nfs/dbraw/zinc/20/07/92/1102200792.db2.gz WXIAIXJYCBMHQN-HNNXBMFYSA-N -1 3 357.450 4.423 20 0 FIADHM O=C([O-])C[C@H](CNCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000426636267 1102213387 /nfs/dbraw/zinc/21/33/87/1102213387.db2.gz DVHUJWDGJXAJTF-CQSZACIVSA-N -1 3 358.488 4.220 20 0 FIADHM Cc1ccc(-c2nc(CNCCc3ccccc3C(=O)[O-])cs2)cc1 ZINC000426649416 1102248627 /nfs/dbraw/zinc/24/86/27/1102248627.db2.gz XLNYWIGQLJMXST-UHFFFAOYSA-N -1 3 352.459 4.149 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)c1nccs1 ZINC000440417958 1102288108 /nfs/dbraw/zinc/28/81/08/1102288108.db2.gz RWVOVMFTKQJLJW-AWEZNQCLSA-N -1 3 366.895 4.379 20 0 FIADHM O=c1[n-]c(-c2nnc(-c3ccccc3)s2)nc2cc(C(F)(F)F)ccc12 ZINC000187768835 1102310010 /nfs/dbraw/zinc/31/00/10/1102310010.db2.gz AMEOASWPJNATKQ-UHFFFAOYSA-N -1 3 374.347 4.127 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)c1[O-] ZINC000110493119 1102331932 /nfs/dbraw/zinc/33/19/32/1102331932.db2.gz AYFQAZJVGPYFSD-UHFFFAOYSA-N -1 3 367.474 4.041 20 0 FIADHM CCc1nnc([N-]C(=O)c2sc(C3CC3)nc2-c2ccccc2)s1 ZINC000532446805 1102339351 /nfs/dbraw/zinc/33/93/51/1102339351.db2.gz ZETSCWIHTMBCAA-UHFFFAOYSA-N -1 3 356.476 4.354 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccc(-c2nc3ccccc3s2)s1 ZINC000473631483 1102342664 /nfs/dbraw/zinc/34/26/64/1102342664.db2.gz SBCGULCYVBYPJM-UHFFFAOYSA-N -1 3 367.455 4.055 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn2c1nccc2-c1ccccc1 ZINC000111211416 1102479665 /nfs/dbraw/zinc/47/96/65/1102479665.db2.gz SHCPHWNHIYGPDJ-UHFFFAOYSA-N -1 3 364.792 4.008 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000537639193 1102513444 /nfs/dbraw/zinc/51/34/44/1102513444.db2.gz NUWZXYZLUUXTJH-UHFFFAOYSA-N -1 3 373.412 4.051 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3cc(F)ccc3-c3ccoc3)n[n-]2)o1 ZINC000473717094 1102612296 /nfs/dbraw/zinc/61/22/96/1102612296.db2.gz UHUHDDZRLNTIEU-UHFFFAOYSA-N -1 3 352.325 4.025 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccc(OC4CCC4)cc3Cl)n[n-]2)o1 ZINC000123010108 1102727036 /nfs/dbraw/zinc/72/70/36/1102727036.db2.gz QCAKBUQZMAPCFI-UHFFFAOYSA-N -1 3 372.812 4.210 20 0 FIADHM COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccccc2[O-])cc1OC ZINC000101827569 1102732628 /nfs/dbraw/zinc/73/26/28/1102732628.db2.gz JQESIRPCZYHQQQ-KRWDZBQOSA-N -1 3 369.461 4.037 20 0 FIADHM CCc1cccc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1[O-] ZINC000537668871 1102796894 /nfs/dbraw/zinc/79/68/94/1102796894.db2.gz CFIZZOUAGLDGCW-AWEZNQCLSA-N -1 3 368.408 4.255 20 0 FIADHM Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000841702039 1102830339 /nfs/dbraw/zinc/83/03/39/1102830339.db2.gz KBSIFHUIDWCNJG-UHFFFAOYSA-N -1 3 370.453 4.327 20 0 FIADHM C[C@H]1CN(Cc2cccc([O-])c2Br)C[C@@H](c2ccsc2)O1 ZINC000459341220 1102855798 /nfs/dbraw/zinc/85/57/98/1102855798.db2.gz NSHVQHAPKVHVKZ-NHYWBVRUSA-N -1 3 368.296 4.178 20 0 FIADHM O=C([O-])[C@]1(NCc2cc(Cl)cc(Cl)c2)CCc2c1cccc2F ZINC000551058091 1102875078 /nfs/dbraw/zinc/87/50/78/1102875078.db2.gz ZSJMGYMEJJFHIW-KRWDZBQOSA-N -1 3 354.208 4.148 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3cnc(-c4ccsc4)s3)n[nH]2)cc1 ZINC000112297819 1102896697 /nfs/dbraw/zinc/89/66/97/1102896697.db2.gz DCYGNEKEOKAUGT-UHFFFAOYSA-N -1 3 367.459 4.217 20 0 FIADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1OCC ZINC000426701044 1102928990 /nfs/dbraw/zinc/92/89/90/1102928990.db2.gz XIFSAEIGIJOVLG-HXUWFJFHSA-N -1 3 357.450 4.098 20 0 FIADHM O=C([O-])[C@H](CNCc1c(F)cccc1Cl)Cc1ccc(Cl)cc1 ZINC000426705042 1102932991 /nfs/dbraw/zinc/93/29/91/1102932991.db2.gz UOXPNGCVKDTIDX-LBPRGKRZSA-N -1 3 356.224 4.166 20 0 FIADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1Cl ZINC000426723945 1102941872 /nfs/dbraw/zinc/94/18/72/1102941872.db2.gz OIJTVSKGKYNVRR-OAHLLOKOSA-N -1 3 358.196 4.057 20 0 FIADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1Cl ZINC000426723944 1102942226 /nfs/dbraw/zinc/94/22/26/1102942226.db2.gz OIJTVSKGKYNVRR-HNNXBMFYSA-N -1 3 358.196 4.057 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Br)cc1)c1ccc(Cl)c(F)c1 ZINC000426727949 1102962576 /nfs/dbraw/zinc/96/25/76/1102962576.db2.gz ROJOWDVBEGORFS-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(-c2ccccn2)c1)c1cccc(Cl)c1 ZINC000426728040 1102962981 /nfs/dbraw/zinc/96/29/81/1102962981.db2.gz SJEFIRMDDGCQLJ-IBGZPJMESA-N -1 3 352.821 4.318 20 0 FIADHM CCCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426752169 1102968314 /nfs/dbraw/zinc/96/83/14/1102968314.db2.gz BBCOOPVOSMUOHS-KRWDZBQOSA-N -1 3 351.805 4.183 20 0 FIADHM O=C([O-])[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1ccc(Cl)c(F)c1 ZINC000426755297 1102971097 /nfs/dbraw/zinc/97/10/97/1102971097.db2.gz YDFAUDXNLMVOMQ-INIZCTEOSA-N -1 3 350.752 4.015 20 0 FIADHM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1ccc(F)cc1Cl ZINC000426756783 1102972091 /nfs/dbraw/zinc/97/20/91/1102972091.db2.gz ALXJJXKOECLVQG-HNNXBMFYSA-N -1 3 360.187 4.057 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@@H]3CCCC[C@]3(C)C(=O)[O-])cs2)cc1 ZINC000426762940 1102975102 /nfs/dbraw/zinc/97/51/02/1102975102.db2.gz ORZWVQAYUQBOIO-XLIONFOSSA-N -1 3 374.506 4.154 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc3c(cc(C)cc3C)[nH]2)c1 ZINC000426772279 1102978735 /nfs/dbraw/zinc/97/87/35/1102978735.db2.gz CQILMSHHVXIDDY-LJQANCHMSA-N -1 3 352.434 4.099 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc(Cl)cc3cccnc32)c1 ZINC000426779797 1102982290 /nfs/dbraw/zinc/98/22/90/1102982290.db2.gz LLRAHWYLXISSAP-GOSISDBHSA-N -1 3 370.836 4.202 20 0 FIADHM O=C([O-])[C@H](CCc1ccccc1)NCc1csc(-c2ccsc2)n1 ZINC000426785631 1102986306 /nfs/dbraw/zinc/98/63/06/1102986306.db2.gz QNOJYBIBDPSJBN-INIZCTEOSA-N -1 3 358.488 4.047 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2csc3ccccc23)c1OC ZINC000426808056 1102989476 /nfs/dbraw/zinc/98/94/76/1102989476.db2.gz QAYBPMBACCERSQ-INIZCTEOSA-N -1 3 371.458 4.224 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC000426794040 1102994934 /nfs/dbraw/zinc/99/49/34/1102994934.db2.gz QAIBKOOEHZYWIN-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM O=C([O-])[C@H](NCc1cc(Cl)cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000426805108 1103002064 /nfs/dbraw/zinc/00/20/64/1103002064.db2.gz YWEBVRFLARQHOL-CQSZACIVSA-N -1 3 361.722 4.413 20 0 FIADHM O=C([O-])[C@@H](NCc1cc(Cl)cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000426805107 1103002665 /nfs/dbraw/zinc/00/26/65/1103002665.db2.gz YWEBVRFLARQHOL-AWEZNQCLSA-N -1 3 361.722 4.413 20 0 FIADHM O=C([O-])C[C@H](NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000426815781 1103009564 /nfs/dbraw/zinc/00/95/64/1103009564.db2.gz HDIWEWQEZOFYAF-HNNXBMFYSA-N -1 3 368.658 4.408 20 0 FIADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cc3ccccc3[nH]c2=O)cc1 ZINC000426817548 1103012458 /nfs/dbraw/zinc/01/24/58/1103012458.db2.gz PITPJCOKCOENSK-HXUWFJFHSA-N -1 3 364.445 4.369 20 0 FIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccc(F)cc2)sc1Br ZINC000426820956 1103015547 /nfs/dbraw/zinc/01/55/47/1103015547.db2.gz OQIOCGSGMHRREY-CYBMUJFWSA-N -1 3 372.259 4.264 20 0 FIADHM O=C([O-])C[C@H](NCc1cc(Br)cs1)c1cccc(Cl)c1 ZINC000426828571 1103027937 /nfs/dbraw/zinc/02/79/37/1103027937.db2.gz LMUKIKNRUIXCTK-ZDUSSCGKSA-N -1 3 374.687 4.470 20 0 FIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000475938358 1103143043 /nfs/dbraw/zinc/14/30/43/1103143043.db2.gz KKMXBWPONAHKBW-UHFFFAOYSA-N -1 3 371.181 4.229 20 0 FIADHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000477190400 1103214227 /nfs/dbraw/zinc/21/42/27/1103214227.db2.gz PXPBYAGRIJMLNH-UHFFFAOYSA-N -1 3 368.792 4.276 20 0 FIADHM N#CC(=C([O-])C=Cc1ccc(Br)o1)c1ccc2ccccc2n1 ZINC000048852321 1103217760 /nfs/dbraw/zinc/21/77/60/1103217760.db2.gz ITGCQUDUPGGMED-VIIAAUOXSA-N -1 3 367.202 4.480 20 0 FIADHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000507508984 1103452002 /nfs/dbraw/zinc/45/20/02/1103452002.db2.gz KFWUGUJJYVPRGH-NSHDSACASA-N -1 3 357.447 4.116 20 0 FIADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1cn(C)c2ccccc12 ZINC000477687323 1103782424 /nfs/dbraw/zinc/78/24/24/1103782424.db2.gz ACATUUQOSMURIL-NSHDSACASA-N -1 3 373.250 4.389 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000614531096 1103817381 /nfs/dbraw/zinc/81/73/81/1103817381.db2.gz ZQSDTKFFZLWHBH-CQSZACIVSA-N -1 3 359.413 4.309 20 0 FIADHM CC(C)c1ccc(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c([O-])c1 ZINC000440653841 1103856868 /nfs/dbraw/zinc/85/68/68/1103856868.db2.gz KLMKWNCEQVHSBJ-GFCCVEGCSA-N -1 3 369.396 4.196 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000441015481 1104077409 /nfs/dbraw/zinc/07/74/09/1104077409.db2.gz YWXJPNHUYAPCJI-ZYHUDNBSSA-N -1 3 357.278 4.431 20 0 FIADHM [O-]C(=Cc1ccc2ccccc2c1)Nc1nc(-c2ccsc2)ns1 ZINC000520222657 1104185981 /nfs/dbraw/zinc/18/59/81/1104185981.db2.gz SSGGKEIZXFUTIP-UHFFFAOYSA-N -1 3 351.456 4.023 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(NCCc3ccccc3)cc2)c1 ZINC000520272748 1104210962 /nfs/dbraw/zinc/21/09/62/1104210962.db2.gz CKPXOXJXIUSLJE-UHFFFAOYSA-N -1 3 362.429 4.308 20 0 FIADHM COc1cccc(-c2nsc([N-]C(=O)c3csc(C(C)C)n3)n2)c1 ZINC000112531320 1104365294 /nfs/dbraw/zinc/36/52/94/1104365294.db2.gz FHMAHCFSTRTVNV-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(NC(C)=O)ccc2[O-])o1 ZINC000122914902 1104375576 /nfs/dbraw/zinc/37/55/76/1104375576.db2.gz GHLJXEVKKPCIEA-UGSOOPFHSA-N -1 3 370.449 4.119 20 0 FIADHM COc1cc(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)cc(OC)c1[O-] ZINC000190260262 1104890438 /nfs/dbraw/zinc/89/04/38/1104890438.db2.gz GFFLBVKMZQDASQ-SECBINFHSA-N -1 3 370.232 4.207 20 0 FIADHM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NCc1csc(C2CC2)n1 ZINC000417559528 1104974571 /nfs/dbraw/zinc/97/45/71/1104974571.db2.gz IORGQVPYRGNDKI-CQSZACIVSA-N -1 3 371.289 4.113 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1C ZINC000427631023 1105157815 /nfs/dbraw/zinc/15/78/15/1105157815.db2.gz VWPBRANILGAVQR-UHFFFAOYSA-N -1 3 352.459 4.475 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c(F)c2)cc1 ZINC000520736196 1105180148 /nfs/dbraw/zinc/18/01/48/1105180148.db2.gz AZWNDCNZHXXVJY-UHFFFAOYSA-N -1 3 364.302 4.190 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c(F)c2)cc1 ZINC000520736196 1105180150 /nfs/dbraw/zinc/18/01/50/1105180150.db2.gz AZWNDCNZHXXVJY-UHFFFAOYSA-N -1 3 364.302 4.190 20 0 FIADHM CCCCc1ccc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)cc1 ZINC000507969495 1105283827 /nfs/dbraw/zinc/28/38/27/1105283827.db2.gz WNSNXARBSGRYQO-UHFFFAOYSA-N -1 3 368.408 4.271 20 0 FIADHM Cn1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1C1CCC1 ZINC000451127396 1106938316 /nfs/dbraw/zinc/93/83/16/1106938316.db2.gz UGGAGUBWEVZVSF-UHFFFAOYSA-N -1 3 361.405 4.076 20 0 FIADHM Cn1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1C1CCC1 ZINC000451127396 1106938320 /nfs/dbraw/zinc/93/83/20/1106938320.db2.gz UGGAGUBWEVZVSF-UHFFFAOYSA-N -1 3 361.405 4.076 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(Cl)s3)nc2)n1 ZINC000301179338 1106955894 /nfs/dbraw/zinc/95/58/94/1106955894.db2.gz OSCMNWYGBLNRCJ-UHFFFAOYSA-N -1 3 360.870 4.176 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1c(Cl)cccc1Cl ZINC000530325579 1106968786 /nfs/dbraw/zinc/96/87/86/1106968786.db2.gz DBWDZQYIOSRDAN-UHFFFAOYSA-N -1 3 356.224 4.477 20 0 FIADHM Cc1nc(-c2ccc(N(C)[C@@H](C)c3ccccc3F)nc2)[n-]c(=O)c1C ZINC000301498921 1107050068 /nfs/dbraw/zinc/05/00/68/1107050068.db2.gz CSPJYSWCDQSZSA-AWEZNQCLSA-N -1 3 352.413 4.198 20 0 FIADHM CCCOc1c(Cl)cc(C(=O)Nc2cc(F)ccc2[O-])cc1OC ZINC000530658230 1107231905 /nfs/dbraw/zinc/23/19/05/1107231905.db2.gz YRCXIJNUOFHLGO-UHFFFAOYSA-N -1 3 353.777 4.234 20 0 FIADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000530827854 1107342707 /nfs/dbraw/zinc/34/27/07/1107342707.db2.gz XPWKEOYQDPQAMP-HKUYNNGSSA-N -1 3 356.441 4.399 20 0 FIADHM O=C(C/C=C/c1ccc(F)cc1)Nc1ccc(Br)cc1[O-] ZINC000530854486 1107359402 /nfs/dbraw/zinc/35/94/02/1107359402.db2.gz JTYYJBLCGHCCPT-OWOJBTEDSA-N -1 3 350.187 4.336 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cc(Cl)ccc1Cl ZINC000428347916 1107394392 /nfs/dbraw/zinc/39/43/92/1107394392.db2.gz IUPWFQJHCBAYIF-SNVBAGLBSA-N -1 3 361.228 4.326 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1OC(C)C ZINC000614739235 1107467225 /nfs/dbraw/zinc/46/72/25/1107467225.db2.gz JWWKDPYSFYZOQT-UHFFFAOYSA-N -1 3 371.405 4.184 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000665720280 1107483353 /nfs/dbraw/zinc/48/33/53/1107483353.db2.gz UIXYFBCKROHVDW-KRWDZBQOSA-N -1 3 354.425 4.011 20 0 FIADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cc(F)ccc1[O-] ZINC000531133654 1107569340 /nfs/dbraw/zinc/56/93/40/1107569340.db2.gz PXWJRRDIEBISAV-CYBMUJFWSA-N -1 3 366.392 4.328 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(-c2cnco2)cc1 ZINC000531155292 1107613205 /nfs/dbraw/zinc/61/32/05/1107613205.db2.gz LWXAWGAWTWDHFO-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000531253665 1107704406 /nfs/dbraw/zinc/70/44/06/1107704406.db2.gz AKGONANVLIFMFG-JQWIXIFHSA-N -1 3 368.177 4.175 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cccc(Cl)c1Cl ZINC000531331594 1107774397 /nfs/dbraw/zinc/77/43/97/1107774397.db2.gz YNIOIHFVKQAJRX-UHFFFAOYSA-N -1 3 368.264 4.025 20 0 FIADHM Cc1cccc(C)c1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000523111828 1107825885 /nfs/dbraw/zinc/82/58/85/1107825885.db2.gz WCZUVJQVFWRWJL-UHFFFAOYSA-N -1 3 362.458 4.430 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1coc(-c2ccccc2)n1 ZINC000523123570 1107915950 /nfs/dbraw/zinc/91/59/50/1107915950.db2.gz QACIABIIWMDZAZ-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000523392777 1108155479 /nfs/dbraw/zinc/15/54/79/1108155479.db2.gz WOHMJBGJZMJVBH-UHFFFAOYSA-N -1 3 369.428 4.027 20 0 FIADHM O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000523392777 1108155487 /nfs/dbraw/zinc/15/54/87/1108155487.db2.gz WOHMJBGJZMJVBH-UHFFFAOYSA-N -1 3 369.428 4.027 20 0 FIADHM Cc1cc(OC(C)C)ccc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000531773465 1108165093 /nfs/dbraw/zinc/16/50/93/1108165093.db2.gz DDMFCYQRDMILMN-UHFFFAOYSA-N -1 3 368.408 4.324 20 0 FIADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1Cl ZINC000523471465 1108243734 /nfs/dbraw/zinc/24/37/34/1108243734.db2.gz NJYUAUWUAPQTHR-SECBINFHSA-N -1 3 357.212 4.399 20 0 FIADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cc(=O)c2ccccc2[n-]1 ZINC000523952829 1108698541 /nfs/dbraw/zinc/69/85/41/1108698541.db2.gz HLMGFPPZQQHNKS-SFHVURJKSA-N -1 3 374.465 4.303 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)c1 ZINC000524121671 1108843602 /nfs/dbraw/zinc/84/36/02/1108843602.db2.gz YICAPAGOKANACZ-UHFFFAOYSA-N -1 3 374.440 4.158 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)c(Cl)cc1F ZINC000445705278 1108958828 /nfs/dbraw/zinc/95/88/28/1108958828.db2.gz RNSHOPMHLVFXAX-NSHDSACASA-N -1 3 361.788 4.043 20 0 FIADHM C[C@@H]1COCC[C@@H]1c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000669609286 1109263703 /nfs/dbraw/zinc/26/37/03/1109263703.db2.gz LKUWNQMEIBNWHO-PBHICJAKSA-N -1 3 366.417 4.161 20 0 FIADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(F)c(F)c1 ZINC000525161256 1109289015 /nfs/dbraw/zinc/28/90/15/1109289015.db2.gz RLDWPJKBGYUBGJ-MRVPVSSYSA-N -1 3 356.166 4.175 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1SCCc2sccc21 ZINC000525192094 1109296716 /nfs/dbraw/zinc/29/67/16/1109296716.db2.gz ACEJFDVWVKHLEV-CYBMUJFWSA-N -1 3 370.293 4.185 20 0 FIADHM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000525386453 1109360036 /nfs/dbraw/zinc/36/00/36/1109360036.db2.gz PDMVPOPXMVIIPV-XVKPBYJWSA-N -1 3 366.266 4.028 20 0 FIADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000525527630 1109413688 /nfs/dbraw/zinc/41/36/88/1109413688.db2.gz ICVGQHGCRYVYHV-UHFFFAOYSA-N -1 3 356.447 4.131 20 0 FIADHM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)ccc(Br)c1F ZINC000447097562 1109442226 /nfs/dbraw/zinc/44/22/26/1109442226.db2.gz BNWRWWRUAMBJPG-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM C[C@@H](Sc1cnccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000525685297 1109477571 /nfs/dbraw/zinc/47/75/71/1109477571.db2.gz QNNLGHGYKRXYOH-SECBINFHSA-N -1 3 356.432 4.300 20 0 FIADHM COCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447269188 1109492275 /nfs/dbraw/zinc/49/22/75/1109492275.db2.gz ZYYUSKQCJIVZOB-UHFFFAOYSA-N -1 3 361.394 4.033 20 0 FIADHM O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cccc2n[n-]nc21 ZINC000526059921 1109613113 /nfs/dbraw/zinc/61/31/13/1109613113.db2.gz DDCSKXKACLKCAO-UHFFFAOYSA-N -1 3 356.813 4.043 20 0 FIADHM O=C(N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cccc2n[n-]nc21 ZINC000526119984 1109626322 /nfs/dbraw/zinc/62/63/22/1109626322.db2.gz MCMMAEQPBNHDCQ-SWLSCSKDSA-N -1 3 374.366 4.043 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCC(C)(C)C3)cc2)cc(=O)[n-]1 ZINC000526948587 1109647534 /nfs/dbraw/zinc/64/75/34/1109647534.db2.gz YELHNGRULWDQHQ-INIZCTEOSA-N -1 3 354.454 4.248 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000447876504 1109665105 /nfs/dbraw/zinc/66/51/05/1109665105.db2.gz DQUZEODXKHJZPW-ZDUSSCGKSA-N -1 3 374.282 4.103 20 0 FIADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1cc(F)cc(Br)c1 ZINC000447877113 1109665447 /nfs/dbraw/zinc/66/54/47/1109665447.db2.gz CQYBCQCPIHWZNA-YGRLFVJLSA-N -1 3 368.250 4.194 20 0 FIADHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000448489536 1109807968 /nfs/dbraw/zinc/80/79/68/1109807968.db2.gz IDWXAWGPRHBSDM-UHFFFAOYSA-N -1 3 363.348 4.118 20 0 FIADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000448542793 1109824872 /nfs/dbraw/zinc/82/48/72/1109824872.db2.gz LWHFFQJWKIVLEA-UHFFFAOYSA-N -1 3 363.348 4.118 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000448614461 1109847505 /nfs/dbraw/zinc/84/75/05/1109847505.db2.gz ICULIVKNOAUKRE-OAHLLOKOSA-N -1 3 356.422 4.047 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@H]3c3ccsc3)c2)n1 ZINC000528029713 1109888376 /nfs/dbraw/zinc/88/83/76/1109888376.db2.gz LIGFTFAERJFMEJ-DLBZAZTESA-N -1 3 365.458 4.215 20 0 FIADHM C[C@@H]1CC(F)(F)CCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000528769518 1110107330 /nfs/dbraw/zinc/10/73/30/1110107330.db2.gz OEIBFUPGRNUEMK-SNVBAGLBSA-N -1 3 365.405 4.277 20 0 FIADHM Cc1ccc(-c2nsc([N-]C(=O)c3scnc3C(C)C)n2)s1 ZINC000449839937 1110186843 /nfs/dbraw/zinc/18/68/43/1110186843.db2.gz DZFVWWHMFQCSEZ-UHFFFAOYSA-N -1 3 350.494 4.407 20 0 FIADHM O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc([O-])cc(Br)c1 ZINC000529512681 1110280600 /nfs/dbraw/zinc/28/06/00/1110280600.db2.gz NTGRFFUDCCNBDU-NWDGAFQWSA-N -1 3 366.177 4.006 20 0 FIADHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000450323146 1110283506 /nfs/dbraw/zinc/28/35/06/1110283506.db2.gz FTHXUASVPGKONE-NEPJUHHUSA-N -1 3 369.358 4.401 20 0 FIADHM CC1(C)CCCc2sc([N-]C(=O)c3cc(-c4ccccn4)no3)nc21 ZINC000461215547 1111119152 /nfs/dbraw/zinc/11/91/52/1111119152.db2.gz JHJHXAUOPZKBTA-UHFFFAOYSA-N -1 3 354.435 4.059 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)c1 ZINC000538741321 1111274260 /nfs/dbraw/zinc/27/42/60/1111274260.db2.gz QELQJKUBDSYACQ-IBGZPJMESA-N -1 3 363.461 4.302 20 0 FIADHM CCSc1cc(Cl)ccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000461827781 1111373301 /nfs/dbraw/zinc/37/33/01/1111373301.db2.gz HWZMUNQOKYPKPC-UHFFFAOYSA-N -1 3 362.842 4.391 20 0 FIADHM Cc1csc(C(=O)NCc2ccc([O-])c(Br)c2)c1Cl ZINC000477797859 1111556458 /nfs/dbraw/zinc/55/64/58/1111556458.db2.gz ZESYGBHZVLMLKE-UHFFFAOYSA-N -1 3 360.660 4.108 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1[O-] ZINC000552287190 1111649675 /nfs/dbraw/zinc/64/96/75/1111649675.db2.gz KNFUMEODFPOBDI-NSHDSACASA-N -1 3 365.351 4.431 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)[C@@H](OC(C)(C)C)c2ccccc2)c([O-])c1 ZINC000552389294 1111696653 /nfs/dbraw/zinc/69/66/53/1111696653.db2.gz UZNWAHJLOJVDGD-SFHVURJKSA-N -1 3 371.433 4.064 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000552530384 1111739947 /nfs/dbraw/zinc/73/99/47/1111739947.db2.gz FACVAMNWJSLKPK-UHFFFAOYSA-N -1 3 353.344 4.059 20 0 FIADHM Cc1ccc(C(=O)C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)cc1 ZINC000478534271 1111809863 /nfs/dbraw/zinc/80/98/63/1111809863.db2.gz CEXQZFVUZCJZFC-UHFFFAOYSA-N -1 3 372.327 4.073 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000479600460 1112083093 /nfs/dbraw/zinc/08/30/93/1112083093.db2.gz QSNSVTXQCYMDQK-ZQIUZPCESA-N -1 3 368.481 4.351 20 0 FIADHM Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1c(F)ccc([O-])c1F ZINC000480050254 1112253587 /nfs/dbraw/zinc/25/35/87/1112253587.db2.gz VCBRWQNSOVVHBD-JXMROGBWSA-N -1 3 360.385 4.003 20 0 FIADHM Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480192838 1112321042 /nfs/dbraw/zinc/32/10/42/1112321042.db2.gz QFPHWKHIORMCDP-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CC(C)c1c([N-]S(=O)(=O)CCC2CC2)cnn1-c1ccc(Cl)cc1 ZINC000480245356 1112341705 /nfs/dbraw/zinc/34/17/05/1112341705.db2.gz IHKGLGRMIJXVBZ-UHFFFAOYSA-N -1 3 367.902 4.191 20 0 FIADHM CSc1nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)n[n-]1 ZINC000480546683 1112475634 /nfs/dbraw/zinc/47/56/34/1112475634.db2.gz QUBQLIOCSYIUSS-UHFFFAOYSA-N -1 3 360.826 4.225 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000554953584 1112588846 /nfs/dbraw/zinc/58/88/46/1112588846.db2.gz DYSZIBJVVQFEJU-UHFFFAOYSA-N -1 3 374.805 4.150 20 0 FIADHM O=C(C/C=C/c1cccc(F)c1)NCc1ccc([O-])c(Br)c1 ZINC000156550760 1112599982 /nfs/dbraw/zinc/59/99/82/1112599982.db2.gz GMPHKQBZDNOAPR-DUXPYHPUSA-N -1 3 364.214 4.014 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000600118665 1112890248 /nfs/dbraw/zinc/89/02/48/1112890248.db2.gz UDAZBZWXKNPPSW-UWVGGRQHSA-N -1 3 363.204 4.114 20 0 FIADHM CC(F)(F)c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000481473548 1112953808 /nfs/dbraw/zinc/95/38/08/1112953808.db2.gz OXBRVLJRJYTSID-UHFFFAOYSA-N -1 3 370.193 4.196 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1 ZINC000481622692 1112999169 /nfs/dbraw/zinc/99/91/69/1112999169.db2.gz QBLKUNQEMNMUBV-UHFFFAOYSA-N -1 3 356.447 4.403 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc(Cl)cc(F)c1Br ZINC000555875802 1113043562 /nfs/dbraw/zinc/04/35/62/1113043562.db2.gz XWOSVYSXVZHGEQ-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000481868993 1113110928 /nfs/dbraw/zinc/11/09/28/1113110928.db2.gz OARSUWJNQKQMOR-UHFFFAOYSA-N -1 3 351.443 4.068 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000482863864 1113380688 /nfs/dbraw/zinc/38/06/88/1113380688.db2.gz GSXMYBFCZBWHCX-HZPDHXFCSA-N -1 3 359.416 4.446 20 0 FIADHM O=c1cc(C=Cc2ccc(F)c(C(F)(F)F)c2)nc(-c2ccncc2)[n-]1 ZINC000486005590 1113488058 /nfs/dbraw/zinc/48/80/58/1113488058.db2.gz NIUVMPKOKLXVLY-HNQUOIGGSA-N -1 3 361.298 4.160 20 0 FIADHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OCC(F)(F)F ZINC000486072806 1113501545 /nfs/dbraw/zinc/50/15/45/1113501545.db2.gz FVVXUHGOPILDSE-KXFIGUGUSA-N -1 3 366.339 4.180 20 0 FIADHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1OCCc2sccc21 ZINC000486107381 1113506739 /nfs/dbraw/zinc/50/67/39/1113506739.db2.gz QQZSJQZQRZRGTR-RFAUZJTJSA-N -1 3 371.380 4.361 20 0 FIADHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1OCCc2sccc21 ZINC000486107380 1113506959 /nfs/dbraw/zinc/50/69/59/1113506959.db2.gz QQZSJQZQRZRGTR-PSLIRLAXSA-N -1 3 371.380 4.361 20 0 FIADHM Cc1onc(-c2cccc(F)c2)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000907332158 1113535455 /nfs/dbraw/zinc/53/54/55/1113535455.db2.gz QGNMSLQAMJNUOP-UHFFFAOYSA-N -1 3 369.400 4.138 20 0 FIADHM O=C(Cc1ccc(F)cc1Br)Nc1cc(Cl)ccc1[O-] ZINC000486492799 1113580223 /nfs/dbraw/zinc/58/02/23/1113580223.db2.gz KTEBIXPUXCQQHZ-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1ccc2cc[nH]c2c1 ZINC000907877186 1113587782 /nfs/dbraw/zinc/58/77/82/1113587782.db2.gz IORMUXACYQDVCE-UHFFFAOYSA-N -1 3 372.450 4.248 20 0 FIADHM CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000486625864 1113604570 /nfs/dbraw/zinc/60/45/70/1113604570.db2.gz KPHTZMMUHSVFSP-NEPJUHHUSA-N -1 3 369.303 4.263 20 0 FIADHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2c([O-])cccc2Cl)C1 ZINC000908414158 1113642640 /nfs/dbraw/zinc/64/26/40/1113642640.db2.gz NNFRIDDONOMEAO-NWDGAFQWSA-N -1 3 368.861 4.068 20 0 FIADHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000044011422 1113881508 /nfs/dbraw/zinc/88/15/08/1113881508.db2.gz VLZIMBZLDHQIAH-JZOCJUILSA-N -1 3 373.250 4.220 20 0 FIADHM CCc1cc(C(=O)NCc2ccc([O-])c(Br)c2)sc1C ZINC000488680992 1113975350 /nfs/dbraw/zinc/97/53/50/1113975350.db2.gz ZEAZJDKERYAWTO-UHFFFAOYSA-N -1 3 354.269 4.017 20 0 FIADHM Cc1cnc2c(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cccc2c1Cl ZINC000912751274 1114182620 /nfs/dbraw/zinc/18/26/20/1114182620.db2.gz BSVHIZRYMHTBGW-UHFFFAOYSA-N -1 3 370.840 4.376 20 0 FIADHM COc1cc(Cl)cc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000490672522 1114315491 /nfs/dbraw/zinc/31/54/91/1114315491.db2.gz OCXSKYHPVMRCRY-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM O=C(OCc1csc(-c2ccsc2)n1)c1cc(-c2ccco2)[n-]n1 ZINC000913301957 1114322787 /nfs/dbraw/zinc/32/27/87/1114322787.db2.gz HYXFBJRKYKIZGH-UHFFFAOYSA-N -1 3 357.416 4.212 20 0 FIADHM O=C(OCc1csc(-c2ccsc2)n1)c1cc(-c2ccco2)n[n-]1 ZINC000913301957 1114322791 /nfs/dbraw/zinc/32/27/91/1114322791.db2.gz HYXFBJRKYKIZGH-UHFFFAOYSA-N -1 3 357.416 4.212 20 0 FIADHM O=C(OCc1csc(Nc2ccccc2)n1)c1cc(-c2ccco2)[n-]n1 ZINC000913301927 1114322923 /nfs/dbraw/zinc/32/29/23/1114322923.db2.gz GXBISPPRTGOQRL-UHFFFAOYSA-N -1 3 366.402 4.227 20 0 FIADHM O=C(OCc1csc(Nc2ccccc2)n1)c1cc(-c2ccco2)n[n-]1 ZINC000913301927 1114322929 /nfs/dbraw/zinc/32/29/29/1114322929.db2.gz GXBISPPRTGOQRL-UHFFFAOYSA-N -1 3 366.402 4.227 20 0 FIADHM CCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000588077596 1114520251 /nfs/dbraw/zinc/52/02/51/1114520251.db2.gz ZVDRFAWEAXBNCL-UHFFFAOYSA-N -1 3 363.479 4.059 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1C ZINC000571902152 1114544344 /nfs/dbraw/zinc/54/43/44/1114544344.db2.gz WESUYNSYQHODFH-UHFFFAOYSA-N -1 3 363.479 4.208 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)c2ccccc21 ZINC000572301863 1114627409 /nfs/dbraw/zinc/62/74/09/1114627409.db2.gz RAZSNIZHMOBCEL-LLVKDONJSA-N -1 3 367.836 4.357 20 0 FIADHM CC[C@H](C)N(OC)C(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760858399 1115118695 /nfs/dbraw/zinc/11/86/95/1115118695.db2.gz CWJQBHSXKMHGES-AWEZNQCLSA-N -1 3 366.417 4.123 20 0 FIADHM CCOCCOc1ccc(Cl)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000573509519 1115134188 /nfs/dbraw/zinc/13/41/88/1115134188.db2.gz ONOIKJGWLWHWFT-UHFFFAOYSA-N -1 3 370.232 4.367 20 0 FIADHM CCC1CCC(=N[N-]C(=O)c2nc(Cl)c(Cl)c(N)c2Cl)CC1 ZINC000058643767 1115283329 /nfs/dbraw/zinc/28/33/29/1115283329.db2.gz NZKFTBQSYCSHSH-UHFFFAOYSA-N -1 3 363.676 4.310 20 0 FIADHM O=C(OCc1ccc(Cl)c2cccnc12)c1cc(-c2ccco2)[n-]n1 ZINC000058679915 1115307609 /nfs/dbraw/zinc/30/76/09/1115307609.db2.gz FVNVFWDNYLYLQZ-UHFFFAOYSA-N -1 3 353.765 4.228 20 0 FIADHM O=C(OCc1ccc(Cl)c2cccnc12)c1cc(-c2ccco2)n[n-]1 ZINC000058679915 1115307611 /nfs/dbraw/zinc/30/76/11/1115307611.db2.gz FVNVFWDNYLYLQZ-UHFFFAOYSA-N -1 3 353.765 4.228 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC4(CCC4)[C@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000574699623 1115440013 /nfs/dbraw/zinc/44/00/13/1115440013.db2.gz WBWJYIRDCFZVIK-LJQANCHMSA-N -1 3 366.465 4.200 20 0 FIADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000575070267 1115532925 /nfs/dbraw/zinc/53/29/25/1115532925.db2.gz RNMBAVLKFHFBSC-NSHDSACASA-N -1 3 357.841 4.079 20 0 FIADHM C[C@@H](O)CCS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000596324025 1115583955 /nfs/dbraw/zinc/58/39/55/1115583955.db2.gz TXUJVGQJUSWJAR-ZJUUUORDSA-N -1 3 350.465 4.222 20 0 FIADHM CCCCCOc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1OC ZINC000060822181 1115711480 /nfs/dbraw/zinc/71/14/80/1115711480.db2.gz SRZINPMCWKORDK-AQTBWJFISA-N -1 3 365.429 4.075 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)CCC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000605596760 1115909180 /nfs/dbraw/zinc/90/91/80/1115909180.db2.gz PHXUSOMYQXIDCS-ZDUSSCGKSA-N -1 3 356.470 4.494 20 0 FIADHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000606462909 1115946288 /nfs/dbraw/zinc/94/62/88/1115946288.db2.gz XRZXNHWSYMFNLG-VIFPVBQESA-N -1 3 364.319 4.273 20 0 FIADHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606537180 1115953873 /nfs/dbraw/zinc/95/38/73/1115953873.db2.gz WMEOQABRMWIVDW-JTQLQIEISA-N -1 3 356.224 4.333 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NCC1(Sc2ccccc2)CCCC1 ZINC000606685282 1115964039 /nfs/dbraw/zinc/96/40/39/1115964039.db2.gz GIARQFZLZAACNK-UHFFFAOYSA-N -1 3 374.481 4.436 20 0 FIADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000606871577 1115979286 /nfs/dbraw/zinc/97/92/86/1115979286.db2.gz IDVYCODAKXZGNA-IBGZPJMESA-N -1 3 364.445 4.441 20 0 FIADHM CSc1cc2c(cc1[N-]C(=O)c1cc3cccc(F)c3o1)OCCO2 ZINC000607818086 1116068023 /nfs/dbraw/zinc/06/80/23/1116068023.db2.gz ORPYCBDRDJQRBP-UHFFFAOYSA-N -1 3 359.378 4.317 20 0 FIADHM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3c(O)cccc3F)cc2)c1 ZINC000608342204 1116103084 /nfs/dbraw/zinc/10/30/84/1116103084.db2.gz XKNKCGNJPIIKDZ-UHFFFAOYSA-N -1 3 373.405 4.433 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccsc3)s2)c([O-])c1 ZINC000534093465 1116158279 /nfs/dbraw/zinc/15/82/79/1116158279.db2.gz NSURYXMVVNFJOX-UHFFFAOYSA-N -1 3 374.443 4.006 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1 ZINC000534207186 1116169329 /nfs/dbraw/zinc/16/93/29/1116169329.db2.gz PAIKNGKDSHFMRH-UHFFFAOYSA-N -1 3 352.459 4.090 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000456381252 1116182899 /nfs/dbraw/zinc/18/28/99/1116182899.db2.gz NTYJDVIPMRSXDG-GOSISDBHSA-N -1 3 372.852 4.371 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)c([O-])c1 ZINC000534827489 1116240472 /nfs/dbraw/zinc/24/04/72/1116240472.db2.gz MTGLHKPEILHIJI-UHFFFAOYSA-N -1 3 359.447 4.322 20 0 FIADHM O=C(NC1(c2ccc(F)cc2F)CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000534916681 1116249555 /nfs/dbraw/zinc/24/95/55/1116249555.db2.gz FTGINMICVKUZRF-UHFFFAOYSA-N -1 3 368.383 4.006 20 0 FIADHM C[C@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1cccc(C(F)(F)F)c1 ZINC000535121028 1116271375 /nfs/dbraw/zinc/27/13/75/1116271375.db2.gz TYKYWAQGVHYWGR-GFCCVEGCSA-N -1 3 374.366 4.045 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c([O-])c1 ZINC000535542730 1116320113 /nfs/dbraw/zinc/32/01/13/1116320113.db2.gz SSQNDYBUBGWZGV-UHFFFAOYSA-N -1 3 354.189 4.128 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1 ZINC000462377425 1116341552 /nfs/dbraw/zinc/34/15/52/1116341552.db2.gz ADZMGXQNXLCVPD-MRXNPFEDSA-N -1 3 358.507 4.156 20 0 FIADHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462430765 1116348454 /nfs/dbraw/zinc/34/84/54/1116348454.db2.gz UPCIDEFDKVSPHF-JQWIXIFHSA-N -1 3 366.346 4.066 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H](C)c3ccsc3)cc2)cc(=O)[n-]1 ZINC000669835023 1116359786 /nfs/dbraw/zinc/35/97/86/1116359786.db2.gz HKNVJQXVWJLSJF-NSHDSACASA-N -1 3 354.435 4.102 20 0 FIADHM Cc1nc(-c2ccc(N[C@H](C)c3c(F)cccc3F)nc2)[n-]c(=O)c1C ZINC000462783771 1117765528 /nfs/dbraw/zinc/76/55/28/1117765528.db2.gz VPPBLSSKERNXLD-GFCCVEGCSA-N -1 3 356.376 4.312 20 0 FIADHM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000463059946 1117946803 /nfs/dbraw/zinc/94/68/03/1117946803.db2.gz GNKHCWQRXNEPKU-ZHRRBRCNSA-N -1 3 360.457 4.218 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)S[C@H](C)C(C)C)nc(=O)c2c1C ZINC000463217028 1118040713 /nfs/dbraw/zinc/04/07/13/1118040713.db2.gz AQSOLWPCZOOLPC-MNOVXSKESA-N -1 3 368.524 4.308 20 0 FIADHM CC(C)(C)n1cnc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)n1 ZINC000463942208 1118381080 /nfs/dbraw/zinc/38/10/80/1118381080.db2.gz JVOBVVXVDUBMCO-UHFFFAOYSA-N -1 3 374.844 4.296 20 0 FIADHM CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)c1cccc2cc[nH]c21 ZINC000913670003 1118957893 /nfs/dbraw/zinc/95/78/93/1118957893.db2.gz JFJKAENAWYJPLT-UHFFFAOYSA-N -1 3 372.450 4.248 20 0 FIADHM O=C(Cc1c[nH]c2cc(F)ccc12)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152168859 1119138018 /nfs/dbraw/zinc/13/80/18/1119138018.db2.gz OHOLRCFXQIIQBZ-UHFFFAOYSA-N -1 3 366.314 4.116 20 0 FIADHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1c[n-]c2ccccc2c1=O ZINC000176285721 1119268184 /nfs/dbraw/zinc/26/81/84/1119268184.db2.gz UGBCGWWEZPJPDY-UHFFFAOYSA-N -1 3 369.424 4.393 20 0 FIADHM CCN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000007674327 1119486167 /nfs/dbraw/zinc/48/61/67/1119486167.db2.gz BEQZAYMXDZDJAA-UHFFFAOYSA-N -1 3 365.458 4.267 20 0 FIADHM CCSCc1cc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)no1 ZINC000185910053 1119694279 /nfs/dbraw/zinc/69/42/79/1119694279.db2.gz CPXAKQNASQOAPS-UHFFFAOYSA-N -1 3 352.481 4.470 20 0 FIADHM Cc1ncc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)s1 ZINC000186083553 1119704445 /nfs/dbraw/zinc/70/44/45/1119704445.db2.gz UMQADFLUEAASNC-UHFFFAOYSA-N -1 3 354.819 4.015 20 0 FIADHM COc1csc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC000186101716 1119705559 /nfs/dbraw/zinc/70/55/59/1119705559.db2.gz JQGBQTLYPACFGG-UHFFFAOYSA-N -1 3 369.830 4.320 20 0 FIADHM Cc1nscc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186113855 1119706530 /nfs/dbraw/zinc/70/65/30/1119706530.db2.gz HTQPGFCTIZEWEQ-UHFFFAOYSA-N -1 3 354.819 4.015 20 0 FIADHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc([O-])cc(F)c1 ZINC000186159219 1119709653 /nfs/dbraw/zinc/70/96/53/1119709653.db2.gz NAPOKUBWYMKTLQ-UHFFFAOYSA-N -1 3 370.346 4.011 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000189181385 1119849775 /nfs/dbraw/zinc/84/97/75/1119849775.db2.gz MAMOQUBSYPIBGQ-UHFFFAOYSA-N -1 3 370.346 4.196 20 0 FIADHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494553353 1119909698 /nfs/dbraw/zinc/90/96/98/1119909698.db2.gz OPBSGCYZGIBDMZ-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1C ZINC000494598747 1119990997 /nfs/dbraw/zinc/99/09/97/1119990997.db2.gz FORWPNYPVCXLPN-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM C[C@H](SCCn1cccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000465454884 1120365216 /nfs/dbraw/zinc/36/52/16/1120365216.db2.gz WTZFQYNIKBOOJJ-NSHDSACASA-N -1 3 372.475 4.348 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000053461112 1120572853 /nfs/dbraw/zinc/57/28/53/1120572853.db2.gz RZIHLZSOOIAJQV-NSHDSACASA-N -1 3 360.335 4.038 20 0 FIADHM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1ccccc1OCC(F)F ZINC000761908107 1120575595 /nfs/dbraw/zinc/57/55/95/1120575595.db2.gz OAXXCZHHYYSERT-KTKRTIGZSA-N -1 3 373.808 4.397 20 0 FIADHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000914890447 1120627730 /nfs/dbraw/zinc/62/77/30/1120627730.db2.gz GKFAUYBXCWWWLL-OLZOCXBDSA-N -1 3 370.474 4.215 20 0 FIADHM CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000914890449 1120628068 /nfs/dbraw/zinc/62/80/68/1120628068.db2.gz GKFAUYBXCWWWLL-STQMWFEESA-N -1 3 370.474 4.215 20 0 FIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1cc(Cl)ccc1F ZINC000914890150 1120628644 /nfs/dbraw/zinc/62/86/44/1120628644.db2.gz CSAMYAQYWQMQGP-QMMMGPOBSA-N -1 3 366.801 4.206 20 0 FIADHM Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)c(C)c1 ZINC000914890824 1120628826 /nfs/dbraw/zinc/62/88/26/1120628826.db2.gz GWZZUXXRQDFLQW-ZDUSSCGKSA-N -1 3 356.447 4.339 20 0 FIADHM O=C(OCc1cc(Cl)cc2cccnc21)c1cc(-c2ccco2)[n-]n1 ZINC000914900763 1120631778 /nfs/dbraw/zinc/63/17/78/1120631778.db2.gz XSHBDFZXUMAWLS-UHFFFAOYSA-N -1 3 353.765 4.228 20 0 FIADHM O=C(OCc1cc(Cl)cc2cccnc21)c1cc(-c2ccco2)n[n-]1 ZINC000914900763 1120631786 /nfs/dbraw/zinc/63/17/86/1120631786.db2.gz XSHBDFZXUMAWLS-UHFFFAOYSA-N -1 3 353.765 4.228 20 0 FIADHM CCOC(=O)C(=C([O-])CSc1ccc(C)c(C)c1)c1nc(C)cs1 ZINC000495323707 1120668955 /nfs/dbraw/zinc/66/89/55/1120668955.db2.gz ISZJDJOIDBHXDV-MRXNPFEDSA-N -1 3 363.504 4.076 20 0 FIADHM COc1cc(C(=O)N[C@H](CC2CCCC2)c2ccccc2)cc(OC)c1[O-] ZINC000495427721 1120802414 /nfs/dbraw/zinc/80/24/14/1120802414.db2.gz RSOQJCVNJFQLGS-GOSISDBHSA-N -1 3 369.461 4.461 20 0 FIADHM Cc1sc(Cl)nc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000762864858 1120967506 /nfs/dbraw/zinc/96/75/06/1120967506.db2.gz LERKTDQOYJWOIF-UHFFFAOYSA-N -1 3 356.904 4.332 20 0 FIADHM CS[C@@H](C)CCC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000762920459 1120997106 /nfs/dbraw/zinc/99/71/06/1120997106.db2.gz PYIPXZFNMWZLFX-WPRPVWTQSA-N -1 3 354.497 4.150 20 0 FIADHM O=C([N-]Cc1ccc(OCC(F)(F)F)cc1)C(F)(F)c1ccccc1 ZINC000915657966 1121016014 /nfs/dbraw/zinc/01/60/14/1121016014.db2.gz ZRWSDYKWHOCINU-UHFFFAOYSA-N -1 3 359.294 4.036 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000472019252 1121181314 /nfs/dbraw/zinc/18/13/14/1121181314.db2.gz VQLUBYRUTZNGME-GOSISDBHSA-N -1 3 361.397 4.251 20 0 FIADHM O=C(NC[C@@H]1CCCCN1Cc1cccc([O-])c1Cl)Nc1ccccc1 ZINC000507351945 1121218840 /nfs/dbraw/zinc/21/88/40/1121218840.db2.gz HJESUJKBQZNXQD-KRWDZBQOSA-N -1 3 373.884 4.222 20 0 FIADHM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](C)c1cc2ccccc2o1 ZINC000056277936 1121324220 /nfs/dbraw/zinc/32/42/20/1121324220.db2.gz SETAPWILWKGFJQ-CQSZACIVSA-N -1 3 360.413 4.498 20 0 FIADHM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000916093822 1121406202 /nfs/dbraw/zinc/40/62/02/1121406202.db2.gz BYVXTMWNDDHHCC-OAHLLOKOSA-N -1 3 371.868 4.121 20 0 FIADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)c([O-])c1 ZINC000059779383 1121452165 /nfs/dbraw/zinc/45/21/65/1121452165.db2.gz PPVUCSMDJPFMMU-MRXNPFEDSA-N -1 3 362.429 4.166 20 0 FIADHM Fc1ccccc1[N-]c1nnc(SCCCOCC(F)(F)F)s1 ZINC000059962188 1121455005 /nfs/dbraw/zinc/45/50/05/1121455005.db2.gz GIXGBVCTXGMHTP-UHFFFAOYSA-N -1 3 367.393 4.482 20 0 FIADHM COc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1NC(=O)OC(C)(C)C ZINC000916428598 1121495330 /nfs/dbraw/zinc/49/53/30/1121495330.db2.gz DHVXKBJHNCLECH-UHFFFAOYSA-N -1 3 372.421 4.309 20 0 FIADHM O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000065770564 1121704475 /nfs/dbraw/zinc/70/44/75/1121704475.db2.gz GZTPKQFWNJFPRF-UHFFFAOYSA-N -1 3 373.368 4.007 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)c([O-])c1 ZINC000124771504 1121718846 /nfs/dbraw/zinc/71/88/46/1121718846.db2.gz QBZUBJKJLKTTSV-UHFFFAOYSA-N -1 3 354.189 4.128 20 0 FIADHM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125305956 1121767421 /nfs/dbraw/zinc/76/74/21/1121767421.db2.gz CTVPNLZFTQYACX-MRXNPFEDSA-N -1 3 351.324 4.054 20 0 FIADHM CC[C@H](C)[C@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC001127420368 1121886736 /nfs/dbraw/zinc/88/67/36/1121886736.db2.gz XTSCIAJYQMHFIP-GUYCJALGSA-N -1 3 365.433 4.118 20 0 FIADHM C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126102920 1121919762 /nfs/dbraw/zinc/91/97/62/1121919762.db2.gz MURXGDMUWREHOV-GFCCVEGCSA-N -1 3 363.255 4.057 20 0 FIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2cccc(Cl)c2o1 ZINC000084529586 1121941034 /nfs/dbraw/zinc/94/10/34/1121941034.db2.gz ZFHAZJSDFOGUGF-UHFFFAOYSA-N -1 3 356.794 4.252 20 0 FIADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2nnc(-c3ccco3)s2)s1 ZINC000074420608 1121954386 /nfs/dbraw/zinc/95/43/86/1121954386.db2.gz WESJMZKZKKOQAI-UHFFFAOYSA-N -1 3 357.363 4.022 20 0 FIADHM CC[C@@H](c1ccc(Br)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000086756011 1121977960 /nfs/dbraw/zinc/97/79/60/1121977960.db2.gz WOTJGQAUEXNXEK-INIZCTEOSA-N -1 3 354.288 4.477 20 0 FIADHM O=c1nc(CN2CCCC[C@H]2CCc2ccccc2)[n-]c2ccsc21 ZINC000090010444 1122115438 /nfs/dbraw/zinc/11/54/38/1122115438.db2.gz FSZAGPBSSFRBIS-INIZCTEOSA-N -1 3 353.491 4.384 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1OCc1cscn1 ZINC000067145460 1122136612 /nfs/dbraw/zinc/13/66/12/1122136612.db2.gz MOEPRZLVDYGMJY-UHFFFAOYSA-N -1 3 360.822 4.333 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000128235323 1122208448 /nfs/dbraw/zinc/20/84/48/1122208448.db2.gz LVQOXXSFKNZBPS-UHFFFAOYSA-N -1 3 367.149 4.167 20 0 FIADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1C ZINC000055674169 1122260646 /nfs/dbraw/zinc/26/06/46/1122260646.db2.gz MTSNDYMANZDEIE-UHFFFAOYSA-N -1 3 366.870 4.024 20 0 FIADHM O=C(CCC(=O)c1ccc2ccccc2c1)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000497572075 1122292422 /nfs/dbraw/zinc/29/24/22/1122292422.db2.gz WRMSFLKPHQWWLG-UHFFFAOYSA-N -1 3 369.424 4.253 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)s1 ZINC000056127845 1122293773 /nfs/dbraw/zinc/29/37/73/1122293773.db2.gz GIJZWBWXVQSSCT-CYBMUJFWSA-N -1 3 363.426 4.283 20 0 FIADHM C/C=C/C=C\C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000917404756 1122296365 /nfs/dbraw/zinc/29/63/65/1122296365.db2.gz XTRVJRYCJKGILA-IGTFLHFFSA-N -1 3 370.474 4.175 20 0 FIADHM Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc([O-])c2F)c1C ZINC000128476098 1122310476 /nfs/dbraw/zinc/31/04/76/1122310476.db2.gz OUAQGOZMQSOVRP-UHFFFAOYSA-N -1 3 371.437 4.065 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000128675545 1122372836 /nfs/dbraw/zinc/37/28/36/1122372836.db2.gz GQIBBJXAIKCAQL-GHMZBOCLSA-N -1 3 355.287 4.172 20 0 FIADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)cc(C)c1OCc1cccnc1 ZINC000128788521 1122409826 /nfs/dbraw/zinc/40/98/26/1122409826.db2.gz OSNHSSTWPRDHAM-UHFFFAOYSA-N -1 3 366.392 4.374 20 0 FIADHM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc([O-])c2F)CC1=O ZINC000128988781 1122484968 /nfs/dbraw/zinc/48/49/68/1122484968.db2.gz WNULWYVCKLJEKD-UONOGXRCSA-N -1 3 370.424 4.036 20 0 FIADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1cccc(Cl)c1Cl ZINC000068838889 1122488032 /nfs/dbraw/zinc/48/80/32/1122488032.db2.gz KHGMNLZDXKTKQZ-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000498014120 1122514417 /nfs/dbraw/zinc/51/44/17/1122514417.db2.gz BDIICHSAYJTEGY-UHFFFAOYSA-N -1 3 360.813 4.239 20 0 FIADHM Cc1ccc(O[C@H](C)C(=O)Nc2cccc([O-])c2F)c(Br)c1 ZINC000129307223 1122567701 /nfs/dbraw/zinc/56/77/01/1122567701.db2.gz JKALHUXZLKQJMX-SNVBAGLBSA-N -1 3 368.202 4.008 20 0 FIADHM COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc([O-])c3F)ccc21 ZINC000129340374 1122571274 /nfs/dbraw/zinc/57/12/74/1122571274.db2.gz DJKOFPGMBAYXII-UHFFFAOYSA-N -1 3 356.397 4.002 20 0 FIADHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC000129504130 1122617959 /nfs/dbraw/zinc/61/79/59/1122617959.db2.gz RQDQYNIIQFLOSJ-UHFFFAOYSA-N -1 3 352.203 4.210 20 0 FIADHM COc1cccc(SCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000129981981 1122717879 /nfs/dbraw/zinc/71/78/79/1122717879.db2.gz JYTBKACSGFBBLP-UHFFFAOYSA-N -1 3 357.353 4.150 20 0 FIADHM Cc1nc(C)c(Cc2nc(C(C)(C)c3cccc4ccccc43)no2)c(=O)[n-]1 ZINC000556353570 1122836352 /nfs/dbraw/zinc/83/63/52/1122836352.db2.gz RBMHKILNOHDWHE-UHFFFAOYSA-N -1 3 374.444 4.252 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCCc4ccccc4C3)cc2)cc(=O)[n-]1 ZINC000498501042 1122839060 /nfs/dbraw/zinc/83/90/60/1122839060.db2.gz NRSKGMJUHKBNMS-UHFFFAOYSA-N -1 3 374.444 4.138 20 0 FIADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(F)cc2cccnc21 ZINC000130842464 1122938213 /nfs/dbraw/zinc/93/82/13/1122938213.db2.gz KRCIUYYDBHVNES-UHFFFAOYSA-N -1 3 356.407 4.206 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1 ZINC000194861904 1122941441 /nfs/dbraw/zinc/94/14/41/1122941441.db2.gz VMHRYYHBDCFVPB-UHFFFAOYSA-N -1 3 362.520 4.118 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3nc(-c4cccs4)no3)n[n-]2)o1 ZINC000919327033 1122952154 /nfs/dbraw/zinc/95/21/54/1122952154.db2.gz WTDMGMIZIZCLQI-SNVBAGLBSA-N -1 3 370.390 4.008 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3nc(-c4cccs4)no3)[n-]n2)o1 ZINC000919327033 1122952155 /nfs/dbraw/zinc/95/21/55/1122952155.db2.gz WTDMGMIZIZCLQI-SNVBAGLBSA-N -1 3 370.390 4.008 20 0 FIADHM Cc1ccsc1-c1nsc([N-]C(=O)c2cc(F)c(F)c(F)c2)n1 ZINC000131890642 1123198126 /nfs/dbraw/zinc/19/81/26/1123198126.db2.gz ZRVPICOBTMVVPP-UHFFFAOYSA-N -1 3 355.366 4.245 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3cnc(C(C)C)s3)n2)cc1 ZINC000132676776 1123327140 /nfs/dbraw/zinc/32/71/40/1123327140.db2.gz NKUMOCILDBXCGA-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1 ZINC000075081326 1123448310 /nfs/dbraw/zinc/44/83/10/1123448310.db2.gz IRDRIQGSYVGDNG-UHFFFAOYSA-N -1 3 360.479 4.133 20 0 FIADHM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000133443443 1123488525 /nfs/dbraw/zinc/48/85/25/1123488525.db2.gz PIEUSCYGFDBHKW-HNNXBMFYSA-N -1 3 369.490 4.035 20 0 FIADHM O=C([N-]Cc1cn2cc(Cl)ccc2n1)C(F)(F)c1cccc(Cl)c1 ZINC000921024828 1123550295 /nfs/dbraw/zinc/55/02/95/1123550295.db2.gz OMJQCYPDVYIWSO-UHFFFAOYSA-N -1 3 370.186 4.049 20 0 FIADHM COc1ccc(F)cc1[C@@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000921006106 1123552978 /nfs/dbraw/zinc/55/29/78/1123552978.db2.gz RMKZCAFTYHTBJQ-SNVBAGLBSA-N -1 3 357.759 4.457 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)c(F)c(C)c3)c2)n1 ZINC000134319037 1123625339 /nfs/dbraw/zinc/62/53/39/1123625339.db2.gz HIZPJOFGTHJDBA-UHFFFAOYSA-N -1 3 365.408 4.008 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1Cl ZINC000135505929 1123768201 /nfs/dbraw/zinc/76/82/01/1123768201.db2.gz LKWIUYNPYYRMDY-UHFFFAOYSA-N -1 3 371.796 4.263 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3cnc(C(C)C)s3)s2)cc1 ZINC000136371249 1123885991 /nfs/dbraw/zinc/88/59/91/1123885991.db2.gz KRCSDPSXLGYNII-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](c3ccccc3)C(C)C)cc2)n1 ZINC000079754660 1123922134 /nfs/dbraw/zinc/92/21/34/1123922134.db2.gz NVJHCCXBKLKLTR-FQEVSTJZSA-N -1 3 361.445 4.124 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(Nc3ccccc3F)s2)n1 ZINC000136811323 1123938749 /nfs/dbraw/zinc/93/87/49/1123938749.db2.gz CMWSMSZALVNRKC-VIFPVBQESA-N -1 3 363.443 4.078 20 0 FIADHM O=C([N-]c1cccc(Cl)c1F)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000136895172 1123945283 /nfs/dbraw/zinc/94/52/83/1123945283.db2.gz OJUDPUCRVRZFBF-UHFFFAOYSA-N -1 3 358.756 4.321 20 0 FIADHM O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cccc2n[n-]nc21 ZINC000542821534 1124396004 /nfs/dbraw/zinc/39/60/04/1124396004.db2.gz ATMBORXNSRFYJV-UHFFFAOYSA-N -1 3 356.813 4.185 20 0 FIADHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2nnc(CCC(C)C)s2)s1 ZINC000617094603 1124443743 /nfs/dbraw/zinc/44/37/43/1124443743.db2.gz NTKOLMBRCLXCPD-UHFFFAOYSA-N -1 3 368.528 4.025 20 0 FIADHM O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1cc(Cl)ccc1Cl ZINC001212300406 1124564599 /nfs/dbraw/zinc/56/45/99/1124564599.db2.gz ZWCWRKAFMNBEAJ-TZMCWYRMSA-N -1 3 356.274 4.075 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1ccc(F)cc1F ZINC000110380937 1124738502 /nfs/dbraw/zinc/73/85/02/1124738502.db2.gz DOYGQCLBQCAPIZ-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM O=C(Nc1cnn2ccccc12)c1cc(CCc2ccccc2)ccc1[O-] ZINC001168683197 1124800241 /nfs/dbraw/zinc/80/02/41/1124800241.db2.gz POACKLAHBGTNCH-UHFFFAOYSA-N -1 3 357.413 4.077 20 0 FIADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(Br)cc1Cl ZINC000248768766 1124811855 /nfs/dbraw/zinc/81/18/55/1124811855.db2.gz XNIHDNROTAYWDB-KMUNFCNLSA-N -1 3 372.690 4.320 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000064374624 212037353 /nfs/dbraw/zinc/03/73/53/212037353.db2.gz WGIUYORGGRHHOT-UHFFFAOYSA-N -1 3 351.855 4.028 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000064374640 212036902 /nfs/dbraw/zinc/03/69/02/212036902.db2.gz PUEVOGLWYOVMPG-UHFFFAOYSA-N -1 3 365.760 4.168 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1cccc(OC(F)(F)F)c1 ZINC000022958849 211371814 /nfs/dbraw/zinc/37/18/14/211371814.db2.gz ABBWZRTWMAKXCW-UHFFFAOYSA-N -1 3 369.723 4.179 20 0 FIADHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000022957370 211371161 /nfs/dbraw/zinc/37/11/61/211371161.db2.gz VKIBNVYUHBDSQP-UHFFFAOYSA-N -1 3 369.723 4.179 20 0 FIADHM CCN(CCC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000038024350 211357482 /nfs/dbraw/zinc/35/74/82/211357482.db2.gz LASNDXMVICVTTE-UHFFFAOYSA-N -1 3 352.228 4.006 20 0 FIADHM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000016122033 211155796 /nfs/dbraw/zinc/15/57/96/211155796.db2.gz SVGGUMOQFCWDMC-UHFFFAOYSA-N -1 3 360.479 4.205 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1c(Cl)cccc1Cl ZINC000072026596 221397092 /nfs/dbraw/zinc/39/70/92/221397092.db2.gz HZAWOXUQCGOVGP-AWEZNQCLSA-N -1 3 360.237 4.098 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(Nc3cccc(C)c3)CC2)c1 ZINC000669110505 567885238 /nfs/dbraw/zinc/88/52/38/567885238.db2.gz RYEJZCXIRMJQGL-UHFFFAOYSA-N -1 3 356.491 4.139 20 0 FIADHM COc1ccc(Br)cc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000665686678 567917121 /nfs/dbraw/zinc/91/71/21/567917121.db2.gz ZAKQYBQHNCKLPJ-UHFFFAOYSA-N -1 3 367.268 4.123 20 0 FIADHM COC(=O)c1cc(Cl)c(Cl)c([N-]C(=O)c2c(C)noc2C(C)C)c1 ZINC000602421966 567978756 /nfs/dbraw/zinc/97/87/56/567978756.db2.gz NKYUNNANFAFMHE-UHFFFAOYSA-N -1 3 371.220 4.452 20 0 FIADHM O=C(Nc1ccc(F)cc1F)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186988368 568038418 /nfs/dbraw/zinc/03/84/18/568038418.db2.gz WLXACHWOKYMGGJ-UHFFFAOYSA-N -1 3 353.324 4.154 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4ccccc4)n3)n[nH]2)cc1 ZINC000603630019 568127836 /nfs/dbraw/zinc/12/78/36/568127836.db2.gz SCBULMJANPFCQL-UHFFFAOYSA-N -1 3 361.430 4.156 20 0 FIADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000603811846 568144077 /nfs/dbraw/zinc/14/40/77/568144077.db2.gz LPHCYZFASJTRAO-UHFFFAOYSA-N -1 3 374.393 4.280 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC3CCCC3)nc(=O)c2c1C ZINC000007049963 568163895 /nfs/dbraw/zinc/16/38/95/568163895.db2.gz HOWAZCMZUXCEDI-SNVBAGLBSA-N -1 3 366.508 4.207 20 0 FIADHM COC(=O)c1ccsc1[N-]C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000603966115 568191193 /nfs/dbraw/zinc/19/11/93/568191193.db2.gz YRICWHWFEKWNLW-UHFFFAOYSA-N -1 3 368.823 4.157 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccc(F)cc1C(F)(F)F ZINC000303229672 568261222 /nfs/dbraw/zinc/26/12/22/568261222.db2.gz YCPUHUOYQVYOJU-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM Cc1c(C(=O)Nc2cc(Cl)cc(C)c2[O-])cnn1-c1ccc(F)cc1 ZINC000604901888 568384985 /nfs/dbraw/zinc/38/49/85/568384985.db2.gz ASIALMJSYXYBRA-UHFFFAOYSA-N -1 3 359.788 4.240 20 0 FIADHM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000604902025 568385057 /nfs/dbraw/zinc/38/50/57/568385057.db2.gz WDCGUIORQGFQES-UHFFFAOYSA-N -1 3 363.889 4.395 20 0 FIADHM O=C(CSc1n[n-]c(-c2ccccn2)n1)c1ccc(Cl)c(Cl)c1 ZINC000604932377 568395042 /nfs/dbraw/zinc/39/50/42/568395042.db2.gz HXMFRHZBKTUENW-UHFFFAOYSA-N -1 3 365.245 4.149 20 0 FIADHM Clc1cc2cccnc2c(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000604932813 568395297 /nfs/dbraw/zinc/39/52/97/568395297.db2.gz QADZGZXNMZMQSL-UHFFFAOYSA-N -1 3 353.838 4.361 20 0 FIADHM Cc1sc2[n-]c(CN3CCCCC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000007002109 568416584 /nfs/dbraw/zinc/41/65/84/568416584.db2.gz WNLMJIOAMFNQSS-UHFFFAOYSA-N -1 3 353.491 4.254 20 0 FIADHM COC(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccc(C)cc3)n2)c1 ZINC000026500813 568497384 /nfs/dbraw/zinc/49/73/84/568497384.db2.gz ZONDFGSWIGCGGK-UHFFFAOYSA-N -1 3 370.405 4.297 20 0 FIADHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl ZINC000040721438 571092668 /nfs/dbraw/zinc/09/26/68/571092668.db2.gz JFKOKZXGVDKOEF-KRWDZBQOSA-N -1 3 363.244 4.260 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000619136051 1125502528 /nfs/dbraw/zinc/50/25/28/1125502528.db2.gz BZCXRSIJYHVHFN-INIZCTEOSA-N -1 3 371.440 4.029 20 0 FIADHM CC[C@H]1c2ccccc2CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000114492672 1125542480 /nfs/dbraw/zinc/54/24/80/1125542480.db2.gz ZOXFCHIKYSKTML-KRWDZBQOSA-N -1 3 359.429 4.179 20 0 FIADHM CN(C)Cc1cccc(NC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000153010285 1125716249 /nfs/dbraw/zinc/71/62/49/1125716249.db2.gz BDOOAOGJLTWUGT-UHFFFAOYSA-N -1 3 354.237 4.405 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000683086224 1079567592 /nfs/dbraw/zinc/56/75/92/1079567592.db2.gz SDTJYAQOUTVYIJ-KSSFIOAISA-N -1 3 363.335 4.090 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(-c2ccccc2F)o1 ZINC000053210417 1079606124 /nfs/dbraw/zinc/60/61/24/1079606124.db2.gz FHUODQADZBRSQP-UHFFFAOYSA-N -1 3 355.350 4.450 20 0 FIADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000108941195 1079656165 /nfs/dbraw/zinc/65/61/65/1079656165.db2.gz CAOGOXFKZSCYNA-KRWDZBQOSA-N -1 3 363.417 4.118 20 0 FIADHM CN1CCc2ccc(Nc3ccc(C(=O)[O-])c(C(F)(F)F)c3)cc2C1 ZINC001211492169 1079793088 /nfs/dbraw/zinc/79/30/88/1079793088.db2.gz OGXHUIKEUVWIJU-UHFFFAOYSA-N -1 3 350.340 4.135 20 0 FIADHM CC(=O)c1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)cc1F ZINC000510083521 1079912214 /nfs/dbraw/zinc/91/22/14/1079912214.db2.gz UVSRCYWKMXIIJS-UHFFFAOYSA-N -1 3 361.170 4.107 20 0 FIADHM COCCCCc1cccnc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000463025525 1080014715 /nfs/dbraw/zinc/01/47/15/1080014715.db2.gz UZXAUNHNEHLPKI-UHFFFAOYSA-N -1 3 350.418 4.162 20 0 FIADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000890595171 1080033101 /nfs/dbraw/zinc/03/31/01/1080033101.db2.gz HLGXBEXRUXTMOK-SECBINFHSA-N -1 3 373.400 4.472 20 0 FIADHM O=c1cc(CN2CCC[C@@H]2c2cccc(Br)c2)nc(C2CC2)[n-]1 ZINC001167077112 1080051670 /nfs/dbraw/zinc/05/16/70/1080051670.db2.gz JNHUKVDBZYQGOG-MRXNPFEDSA-N -1 3 374.282 4.159 20 0 FIADHM CCn1c2ccccc2c2cc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)ccc21 ZINC000579870856 1080268434 /nfs/dbraw/zinc/26/84/34/1080268434.db2.gz LELLBDWDLOOWPX-UHFFFAOYSA-N -1 3 372.428 4.440 20 0 FIADHM CC(C)[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)Nc1ccccc1 ZINC001648801065 1080934282 /nfs/dbraw/zinc/93/42/82/1080934282.db2.gz FNMVKHHEMZRNBR-QGZVFWFLSA-N -1 3 354.475 4.473 20 0 FIADHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000610432207 1081867632 /nfs/dbraw/zinc/86/76/32/1081867632.db2.gz VBFQIHMSPKZJPK-UHFFFAOYSA-N -1 3 370.377 4.289 20 0 FIADHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000610432096 1081868081 /nfs/dbraw/zinc/86/80/81/1081868081.db2.gz CMDHYFWYNASLDL-UHFFFAOYSA-N -1 3 358.366 4.028 20 0 FIADHM Cc1cc([C@H](C)N2CCC(c3ccc4cccnc4n3)CC2)oc1C(=O)[O-] ZINC000656191961 1081894816 /nfs/dbraw/zinc/89/48/16/1081894816.db2.gz UKLZIOCPUWOHMH-AWEZNQCLSA-N -1 3 365.433 4.170 20 0 FIADHM Cc1occc1[N-]c1nc2c(Br)cc(C(F)(F)F)cn2n1 ZINC001211239577 1082052977 /nfs/dbraw/zinc/05/29/77/1082052977.db2.gz ZHABMVXGRVXKCQ-UHFFFAOYSA-N -1 3 361.121 4.156 20 0 FIADHM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000055674128 1082213854 /nfs/dbraw/zinc/21/38/54/1082213854.db2.gz FYWFOMPOTIWGHM-UHFFFAOYSA-N -1 3 374.506 4.261 20 0 FIADHM CCc1ccc([C@H]2C[C@@H](C)CCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000581374982 1082502024 /nfs/dbraw/zinc/50/20/24/1082502024.db2.gz KKIAWHVGWCGLQR-HNAYVOBHSA-N -1 3 357.450 4.392 20 0 FIADHM O=C([O-])[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)[C@H]2CCCC[C@@H]12 ZINC000656763768 1082756741 /nfs/dbraw/zinc/75/67/41/1082756741.db2.gz HRFOSSAOMXQETB-ZENOOKHLSA-N -1 3 372.292 4.338 20 0 FIADHM COc1cccc([C@@]2(C)CCN(Cc3cccc(C(=O)[O-])c3Cl)C2)c1 ZINC000656765457 1082758075 /nfs/dbraw/zinc/75/80/75/1082758075.db2.gz MGGAAXXNKQTQHA-FQEVSTJZSA-N -1 3 359.853 4.210 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656766607 1082758633 /nfs/dbraw/zinc/75/86/33/1082758633.db2.gz ANBGPCRYQLIWOO-RDJZCZTQSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656770042 1082761803 /nfs/dbraw/zinc/76/18/03/1082761803.db2.gz VZWALPFPOWPCEN-DLBZAZTESA-N -1 3 372.292 4.400 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)CC3CCCCC3)cc2)n1 ZINC000510501381 1083093006 /nfs/dbraw/zinc/09/30/06/1083093006.db2.gz NOOZTVJAJILYOK-AWEZNQCLSA-N -1 3 353.466 4.290 20 0 FIADHM [O-]c1ccc(F)c(CNCc2ccc(Oc3cccc(F)c3)nc2)c1F ZINC000510517768 1083137756 /nfs/dbraw/zinc/13/77/56/1083137756.db2.gz ARBUZCUOFJUPOP-UHFFFAOYSA-N -1 3 360.335 4.287 20 0 FIADHM C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)CC(C)(C)C ZINC001211526074 1083323449 /nfs/dbraw/zinc/32/34/49/1083323449.db2.gz OUVQTIUTKJVHIQ-SNVBAGLBSA-N -1 3 368.362 4.251 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)c1 ZINC000612132477 1083423504 /nfs/dbraw/zinc/42/35/04/1083423504.db2.gz PRCSKHHWXZEOOF-NVXWUHKLSA-N -1 3 361.507 4.258 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)[N-]c3nnc(-c4ccccn4)s3)s2)o1 ZINC000180871508 1083497829 /nfs/dbraw/zinc/49/78/29/1083497829.db2.gz KEVXJGXVSLCOHB-UHFFFAOYSA-N -1 3 368.443 4.482 20 0 FIADHM CCOc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc(Cl)c1OC ZINC000277071252 1083731116 /nfs/dbraw/zinc/73/11/16/1083731116.db2.gz VOMDFCHBLXTIDX-AWEZNQCLSA-N -1 3 369.870 4.114 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)[n-]1 ZINC000431672070 1084007439 /nfs/dbraw/zinc/00/74/39/1084007439.db2.gz FUVPRZCKTKEUKC-UHFFFAOYSA-N -1 3 370.792 4.499 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@H](CC(=O)[O-])C(C)(C)C)cs2)cc1 ZINC000277200756 1084009809 /nfs/dbraw/zinc/00/98/09/1084009809.db2.gz GMZUTBVDFUCUIV-MRXNPFEDSA-N -1 3 362.495 4.010 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2Oc2cccc(C)c2)[n-]1 ZINC000431267168 1084023292 /nfs/dbraw/zinc/02/32/92/1084023292.db2.gz DNDDAEKXGUJTNX-UHFFFAOYSA-N -1 3 350.374 4.154 20 0 FIADHM CO[C@@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CCC1 ZINC000612755426 1084044556 /nfs/dbraw/zinc/04/45/56/1084044556.db2.gz FQFBWCCTOXJTGJ-GOSISDBHSA-N -1 3 368.458 4.423 20 0 FIADHM CC(C)N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(F)cc1 ZINC000109965812 1084061902 /nfs/dbraw/zinc/06/19/02/1084061902.db2.gz GEBQOSNTTWVHDT-UHFFFAOYSA-N -1 3 351.381 4.223 20 0 FIADHM COc1ccc(C(=O)N2CCCCCC2)cc1NCc1cc([O-])cc(F)c1 ZINC000472064620 1084218381 /nfs/dbraw/zinc/21/83/81/1084218381.db2.gz JAWMNMQAYIFZLV-UHFFFAOYSA-N -1 3 372.440 4.168 20 0 FIADHM O=C([N-]c1ccccc1SC[C@@H]1CC1(Cl)Cl)c1cnsn1 ZINC000121737465 1084363803 /nfs/dbraw/zinc/36/38/03/1084363803.db2.gz TZZLYNHFZQAART-QMMMGPOBSA-N -1 3 360.291 4.076 20 0 FIADHM CO[C@@H](C)c1nc(COC(=O)c2cccc3[n-]c(C(F)F)nc32)cs1 ZINC000924080164 1084430556 /nfs/dbraw/zinc/43/05/56/1084430556.db2.gz KBOJPGWWQJYWHM-QMMMGPOBSA-N -1 3 367.377 4.021 20 0 FIADHM Cc1cc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)sc1C ZINC000051418118 1084580989 /nfs/dbraw/zinc/58/09/89/1084580989.db2.gz DHNUZZBWQLPSMN-VIFPVBQESA-N -1 3 362.476 4.198 20 0 FIADHM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000431801216 1084602567 /nfs/dbraw/zinc/60/25/67/1084602567.db2.gz NVONWNHIVMZNOV-SFHVURJKSA-N -1 3 369.852 4.393 20 0 FIADHM CCOc1ccc(Cl)cc1CCNC(=O)c1cc([O-])ccc1Cl ZINC000431813339 1084642482 /nfs/dbraw/zinc/64/24/82/1084642482.db2.gz PPDOLEBQEJPIGU-UHFFFAOYSA-N -1 3 354.233 4.070 20 0 FIADHM CCOc1cc(CN[C@@H](c2nccs2)C(F)(F)F)cc(Cl)c1[O-] ZINC000628372624 1084736980 /nfs/dbraw/zinc/73/69/80/1084736980.db2.gz DLMABLGODQEAJS-LBPRGKRZSA-N -1 3 366.792 4.294 20 0 FIADHM Cc1ccc(OCCN(C)Cc2nc3ccccc3c(C)c2C(=O)[O-])cc1 ZINC000563276964 1084745020 /nfs/dbraw/zinc/74/50/20/1084745020.db2.gz ABHLSIQKHQIODG-UHFFFAOYSA-N -1 3 364.445 4.061 20 0 FIADHM COc1ccc(-c2csc3[n-]c(COC4CCCC4)nc(=O)c23)cc1 ZINC000174446972 1084774730 /nfs/dbraw/zinc/77/47/30/1084774730.db2.gz VLQDNBHJGIVZOX-UHFFFAOYSA-N -1 3 356.447 4.119 20 0 FIADHM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000622992693 1084856128 /nfs/dbraw/zinc/85/61/28/1084856128.db2.gz XLYXHKVDTVLYCQ-UHFFFAOYSA-N -1 3 373.833 4.076 20 0 FIADHM Cc1noc(-c2ccccc2)c1NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000582318210 1084865572 /nfs/dbraw/zinc/86/55/72/1084865572.db2.gz FPYAHFPQYBVMKZ-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM N#CC(=C([O-])C=Cc1ccccc1F)c1nc2ccccc2n1C(F)F ZINC000051655460 1084972973 /nfs/dbraw/zinc/97/29/73/1084972973.db2.gz IJPXUQTTZLZKDW-LXKVQUBZSA-N -1 3 355.319 4.460 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc[nH]c3C3CCC3)c2)n1 ZINC000582445603 1085013625 /nfs/dbraw/zinc/01/36/25/1085013625.db2.gz ZYQOJVFPYXSRIY-UHFFFAOYSA-N -1 3 362.433 4.260 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000176151443 1085079896 /nfs/dbraw/zinc/07/98/96/1085079896.db2.gz BMUVOXIPRVMLFK-UHFFFAOYSA-N -1 3 373.239 4.033 20 0 FIADHM O=C(NCCC[C@@H]1CCCCO1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622511499 1085269513 /nfs/dbraw/zinc/26/95/13/1085269513.db2.gz DSKZXLCHOUWDLA-IBGZPJMESA-N -1 3 353.462 4.062 20 0 FIADHM O=c1nc(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)[n-]c2ccsc21 ZINC000511878280 1085282055 /nfs/dbraw/zinc/28/20/55/1085282055.db2.gz XPIMAPCRZHOACK-UXLLHSPISA-N -1 3 351.475 4.165 20 0 FIADHM CC(C)c1ccc(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)c([O-])c1 ZINC000074829459 1085486644 /nfs/dbraw/zinc/48/66/44/1085486644.db2.gz PTGVJIBZAGWJSD-UHFFFAOYSA-N -1 3 358.385 4.263 20 0 FIADHM O=c1[n-]c(CN2CCC(c3ccccc3)CC2)nc2c3ccccc3oc21 ZINC000045548316 1085559409 /nfs/dbraw/zinc/55/94/09/1085559409.db2.gz LBRIRWJMYBNSTL-UHFFFAOYSA-N -1 3 359.429 4.461 20 0 FIADHM CSc1ncc(Cl)c(C(=O)[N-]c2ccccc2SC(F)F)n1 ZINC000023007464 1085594660 /nfs/dbraw/zinc/59/46/60/1085594660.db2.gz QCONJZNZKOWOKE-UHFFFAOYSA-N -1 3 361.826 4.419 20 0 FIADHM Cc1nc(NC(=O)c2c[n-]c3ccccc3c2=O)sc1-c1ccccc1 ZINC000053800388 1085912850 /nfs/dbraw/zinc/91/28/50/1085912850.db2.gz KUWGUOOIHXFJCA-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000511215781 1085916854 /nfs/dbraw/zinc/91/68/54/1085916854.db2.gz JYSBQQCTFJMONF-UHFFFAOYSA-N -1 3 368.296 4.484 20 0 FIADHM CC(C)Cn1ncc(C(=O)Nc2cccc([O-])c2F)c1-c1ccccc1 ZINC000583061539 1086110509 /nfs/dbraw/zinc/11/05/09/1086110509.db2.gz ZCAAXCDSALPYRR-UHFFFAOYSA-N -1 3 353.397 4.303 20 0 FIADHM O=C(Nc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1)c1ccco1 ZINC000431523902 1086189185 /nfs/dbraw/zinc/18/91/85/1086189185.db2.gz NNGZLVQOJYVXTQ-UHFFFAOYSA-N -1 3 356.765 4.143 20 0 FIADHM O=C(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)OC1CCCCC1 ZINC000053843294 1086326571 /nfs/dbraw/zinc/32/65/71/1086326571.db2.gz JFBMXCDGAFZEFS-UHFFFAOYSA-N -1 3 368.458 4.070 20 0 FIADHM O=C([O-])CC[C@H]1CCCCN1Cc1oc2ccccc2c1Br ZINC000662213576 1086340893 /nfs/dbraw/zinc/34/08/93/1086340893.db2.gz ANXFZYNHTDPVSR-GFCCVEGCSA-N -1 3 366.255 4.415 20 0 FIADHM O=c1[n-]c(CN2CC3CC2(c2ccccc2)C3)nc2c3ccccc3oc21 ZINC000662330915 1086414431 /nfs/dbraw/zinc/41/44/31/1086414431.db2.gz ISNSOGOXTGBUME-UHFFFAOYSA-N -1 3 357.413 4.203 20 0 FIADHM COc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3[O-])c(C)[nH]2)c1 ZINC000536024300 1086686218 /nfs/dbraw/zinc/68/62/18/1086686218.db2.gz CVFHEUGBAGGIKX-UHFFFAOYSA-N -1 3 357.797 4.005 20 0 FIADHM COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)cc3[O-])[nH]2)c1 ZINC000536024300 1086686222 /nfs/dbraw/zinc/68/62/22/1086686222.db2.gz CVFHEUGBAGGIKX-UHFFFAOYSA-N -1 3 357.797 4.005 20 0 FIADHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(C(F)(F)F)ccc1F ZINC000583478477 1086723368 /nfs/dbraw/zinc/72/33/68/1086723368.db2.gz IEHKRHIQLIDSNK-UHFFFAOYSA-N -1 3 367.751 4.440 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000329163931 1086733994 /nfs/dbraw/zinc/73/39/94/1086733994.db2.gz GOTTUONFAMDONY-LJQANCHMSA-N -1 3 361.445 4.125 20 0 FIADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC001126310593 1086740136 /nfs/dbraw/zinc/74/01/36/1086740136.db2.gz WAYLNGDHZDORFK-UHFFFAOYSA-N -1 3 369.770 4.385 20 0 FIADHM CCOC(=O)C(=Cc1cccc(C)c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000006294387 1086749805 /nfs/dbraw/zinc/74/98/05/1086749805.db2.gz MJGUHZMKKMVDLL-XNTDXEJSSA-N -1 3 368.458 4.014 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)s1 ZINC000512154766 1086848316 /nfs/dbraw/zinc/84/83/16/1086848316.db2.gz PBVYRRNPWMOSIJ-SNVBAGLBSA-N -1 3 369.817 4.248 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@H](c2c(Cl)cccc2Cl)C2CC2)n1 ZINC000583721635 1086933524 /nfs/dbraw/zinc/93/35/24/1086933524.db2.gz HVAOXWGZPCNLBE-KRWDZBQOSA-N -1 3 352.265 4.292 20 0 FIADHM CC1(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)Cc2ccccc21 ZINC000536178238 1087080366 /nfs/dbraw/zinc/08/03/66/1087080366.db2.gz AHHJOWDFTSBNRH-UHFFFAOYSA-N -1 3 359.429 4.375 20 0 FIADHM O=C(CC/C=C/c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000151525085 1087126176 /nfs/dbraw/zinc/12/61/76/1087126176.db2.gz YDBUDUTUQNTVOM-XBXARRHUSA-N -1 3 360.251 4.265 20 0 FIADHM O=C(CCc1ccccc1Cl)NCc1ccc([O-])c(Br)c1 ZINC000151549463 1087138378 /nfs/dbraw/zinc/13/83/78/1087138378.db2.gz ZDYVEGSPBRUWDT-UHFFFAOYSA-N -1 3 368.658 4.057 20 0 FIADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000536212072 1087160348 /nfs/dbraw/zinc/16/03/48/1087160348.db2.gz TUYHFLOIVGIAHK-GHMZBOCLSA-N -1 3 352.253 4.267 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000584352781 1087275041 /nfs/dbraw/zinc/27/50/41/1087275041.db2.gz AFBPDHNZHVGFEL-UZLBHIALSA-N -1 3 367.445 4.216 20 0 FIADHM CCc1cccc(C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)c1[O-] ZINC000081798495 1087331547 /nfs/dbraw/zinc/33/15/47/1087331547.db2.gz QIGOLOKVAFRMRP-VWLOTQADSA-N -1 3 359.491 4.254 20 0 FIADHM COCC[C@@H](C)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000088305947 1087374939 /nfs/dbraw/zinc/37/49/39/1087374939.db2.gz LPDHPIOHYYWZPG-GHMZBOCLSA-N -1 3 364.492 4.464 20 0 FIADHM O=c1[n-]c(CN(C2CC2)[C@H]2CCc3ccccc32)nc2c3ccccc3oc21 ZINC000138788550 1087472647 /nfs/dbraw/zinc/47/26/47/1087472647.db2.gz WQKOXQACJKAXLP-SFHVURJKSA-N -1 3 371.440 4.321 20 0 FIADHM Cc1ccc(F)c(NC(=S)N[N-]C(=O)c2cc(Cl)ccc2Cl)c1 ZINC000065700856 1087586466 /nfs/dbraw/zinc/58/64/66/1087586466.db2.gz MRRYVMFVHUHJOF-UHFFFAOYSA-N -1 3 372.252 4.072 20 0 FIADHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000685677159 1087679500 /nfs/dbraw/zinc/67/95/00/1087679500.db2.gz YOHBIZWEAXYRKI-BEFAXECRSA-N -1 3 359.853 4.286 20 0 FIADHM C[C@H](S[C@@H]1CCO[C@@H]1C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000163521203 1087728465 /nfs/dbraw/zinc/72/84/65/1087728465.db2.gz KHJWRMCRAYCIGW-GBIKHYSHSA-N -1 3 362.476 4.216 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC4(CCC4)c4ccccc43)c[n-]c12 ZINC000376476102 1088041807 /nfs/dbraw/zinc/04/18/07/1088041807.db2.gz FCTPBAUTVCHTHN-UHFFFAOYSA-N -1 3 362.404 4.058 20 0 FIADHM CCSc1ccc([C@H](C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000505126669 1088187139 /nfs/dbraw/zinc/18/71/39/1088187139.db2.gz UGFSTMSJNIXRMV-ZDUSSCGKSA-N -1 3 352.459 4.131 20 0 FIADHM Cc1ccccc1C1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCCC1 ZINC000505173878 1088223803 /nfs/dbraw/zinc/22/38/03/1088223803.db2.gz WGUZHNLVIHSMDQ-UHFFFAOYSA-N -1 3 374.484 4.468 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1C ZINC000505293895 1088327723 /nfs/dbraw/zinc/32/77/23/1088327723.db2.gz NZPJOHFMJYYAFA-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM Cc1nc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)c(C)s1 ZINC000505334216 1088363312 /nfs/dbraw/zinc/36/33/12/1088363312.db2.gz YAMRYYDCGFKLKP-UHFFFAOYSA-N -1 3 362.505 4.323 20 0 FIADHM O=c1nc([C@@H]2CCCO2)[n-]c2sc3c(c21)CC[C@@H](c1ccccc1)C3 ZINC000178983906 1088724695 /nfs/dbraw/zinc/72/46/95/1088724695.db2.gz MMNPVNPCNJNHJE-HIFRSBDPSA-N -1 3 352.459 4.109 20 0 FIADHM [O-]C(=Cc1nc(-c2cccc(C(F)(F)F)n2)no1)c1ccccc1Cl ZINC001211646784 1088740425 /nfs/dbraw/zinc/74/04/25/1088740425.db2.gz AFAXNTACMPCNCC-UHFFFAOYSA-N -1 3 367.714 4.229 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000179491140 1088756079 /nfs/dbraw/zinc/75/60/79/1088756079.db2.gz BKJHKKNEFBRSJG-SFHVURJKSA-N -1 3 363.417 4.275 20 0 FIADHM COc1ccc(Cl)c(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211647625 1088786586 /nfs/dbraw/zinc/78/65/86/1088786586.db2.gz ZMONJYRCOXCNRI-UHFFFAOYSA-N -1 3 363.200 4.477 20 0 FIADHM CN(CCC1CCCCC1)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659786775 1088855312 /nfs/dbraw/zinc/85/53/12/1088855312.db2.gz FBQUQJQWAIRNCU-MRXNPFEDSA-N -1 3 354.288 4.477 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Br)cc1F)N1CCC[C@H](C2CCC2)C1 ZINC000659801894 1088888154 /nfs/dbraw/zinc/88/81/54/1088888154.db2.gz MMGOGXUPKLUQAH-BLLLJJGKSA-N -1 3 370.262 4.226 20 0 FIADHM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C[C@H]1CCc2ccccc21 ZINC000659803147 1088890408 /nfs/dbraw/zinc/89/04/08/1088890408.db2.gz DQJUQJYPAHXARS-GOSISDBHSA-N -1 3 362.429 4.202 20 0 FIADHM CC(C)(C)OCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000182360449 1088910671 /nfs/dbraw/zinc/91/06/71/1088910671.db2.gz NSNULJRNDMDWPS-UHFFFAOYSA-N -1 3 356.447 4.423 20 0 FIADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1OC1CCCC1 ZINC000414641093 1088917859 /nfs/dbraw/zinc/91/78/59/1088917859.db2.gz SJECXSKROCIBER-UHFFFAOYSA-N -1 3 355.434 4.005 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c1 ZINC000188509021 1088951094 /nfs/dbraw/zinc/95/10/94/1088951094.db2.gz XZOJUQOJUJUWBD-UHFFFAOYSA-N -1 3 364.445 4.424 20 0 FIADHM CN(CCCOc1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000514608532 1089262180 /nfs/dbraw/zinc/26/21/80/1089262180.db2.gz UZWYEJRNTRFURW-KRWDZBQOSA-N -1 3 351.805 4.006 20 0 FIADHM O=C(CCSc1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000514820299 1089499941 /nfs/dbraw/zinc/49/99/41/1089499941.db2.gz JGHGXJLOUAXKLA-UHFFFAOYSA-N -1 3 352.253 4.276 20 0 FIADHM COc1nnc(NC(=O)c2ccc(Nc3ccccc3C(C)(C)C)cc2)[n-]1 ZINC001137567848 1089526827 /nfs/dbraw/zinc/52/68/27/1089526827.db2.gz PIEHBDKIYNBHTR-UHFFFAOYSA-N -1 3 365.437 4.107 20 0 FIADHM COc1nc(NC(=O)c2ccc(Nc3ccccc3C(C)(C)C)cc2)n[n-]1 ZINC001137567848 1089526846 /nfs/dbraw/zinc/52/68/46/1089526846.db2.gz PIEHBDKIYNBHTR-UHFFFAOYSA-N -1 3 365.437 4.107 20 0 FIADHM COc1n[n-]c(NC(=O)c2ccc(Nc3ccccc3C(C)(C)C)cc2)n1 ZINC001137567848 1089526861 /nfs/dbraw/zinc/52/68/61/1089526861.db2.gz PIEHBDKIYNBHTR-UHFFFAOYSA-N -1 3 365.437 4.107 20 0 FIADHM [O-]c1ccc2ccncc2c1CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066793916 1089529915 /nfs/dbraw/zinc/52/99/15/1089529915.db2.gz UDZXLSCQJNKWBN-HXUWFJFHSA-N -1 3 372.827 4.306 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC)c(OCC)c2)CC)n1 ZINC000435339966 1089548235 /nfs/dbraw/zinc/54/82/35/1089548235.db2.gz ZQXBQRTXTVJIPG-VBKFSLOCSA-N -1 3 356.466 4.470 20 0 FIADHM C[C@@H](CN(C)Cn1c(Cc2cccs2)n[n-]c1=S)c1ccccc1 ZINC000066795396 1089576934 /nfs/dbraw/zinc/57/69/34/1089576934.db2.gz MLMKJDMDADBYPQ-AWEZNQCLSA-N -1 3 358.536 4.286 20 0 FIADHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])c2ccccc2n1 ZINC000515078361 1089757509 /nfs/dbraw/zinc/75/75/09/1089757509.db2.gz YQCLQQBGBIDVMW-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(-c2ccccc2)on1 ZINC000515078312 1089757803 /nfs/dbraw/zinc/75/78/03/1089757803.db2.gz OQIMQNJUHOQQDF-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM O=C([O-])c1cc(CN2CCC(Cc3cccc(F)c3F)CC2)cs1 ZINC000515073352 1089774275 /nfs/dbraw/zinc/77/42/75/1089774275.db2.gz HXQTVIDYYIOJOB-UHFFFAOYSA-N -1 3 351.418 4.179 20 0 FIADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](c2cccnc2)C1 ZINC000565310363 1089792429 /nfs/dbraw/zinc/79/24/29/1089792429.db2.gz VJXMEVRHDJAGIZ-MLGOLLRUSA-N -1 3 351.233 4.004 20 0 FIADHM CCOc1ccccc1CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000515125801 1089800162 /nfs/dbraw/zinc/80/01/62/1089800162.db2.gz SEYSNVYMIYPQPJ-UHFFFAOYSA-N -1 3 364.239 4.125 20 0 FIADHM Cc1nc(-c2ccsc2)ccc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000435677020 1089858767 /nfs/dbraw/zinc/85/87/67/1089858767.db2.gz AYWLQSVIDGEFMS-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM O=C([N-]OCc1ccc(F)cc1)Nc1nc(Cc2ccccc2)cs1 ZINC000184298965 1090456790 /nfs/dbraw/zinc/45/67/90/1090456790.db2.gz GRORHQJDSYGQEL-UHFFFAOYSA-N -1 3 357.410 4.126 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(Cl)c2)CC(C)C)c1 ZINC000623042960 1090458818 /nfs/dbraw/zinc/45/88/18/1090458818.db2.gz WJWYAEZJBIZJGC-UHFFFAOYSA-N -1 3 374.868 4.302 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1 ZINC000390024036 1090617109 /nfs/dbraw/zinc/61/71/09/1090617109.db2.gz VJCJYWYYSXQZCR-UHFFFAOYSA-N -1 3 351.189 4.348 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nccn1-c1ccccc1 ZINC000584773099 1090872058 /nfs/dbraw/zinc/87/20/58/1090872058.db2.gz VKARAJMVRQBULP-HNNXBMFYSA-N -1 3 357.413 4.222 20 0 FIADHM Cc1nc(CCCNCc2cc(Cl)sc2Cl)sc1C(=O)[O-] ZINC000417550102 1090922248 /nfs/dbraw/zinc/92/22/48/1090922248.db2.gz ULJHWRAELMOKEI-UHFFFAOYSA-N -1 3 365.307 4.240 20 0 FIADHM Cc1cc(F)c(CNC[C@H](Cc2ccccc2Cl)C(=O)[O-])c(Cl)c1 ZINC000417549056 1090922324 /nfs/dbraw/zinc/92/23/24/1090922324.db2.gz SEDLLYJIBQBUTF-ZDUSSCGKSA-N -1 3 370.251 4.474 20 0 FIADHM CCc1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)CCO2 ZINC001267861822 1090922335 /nfs/dbraw/zinc/92/23/35/1090922335.db2.gz QBZFLHUIZWMOJM-MRXNPFEDSA-N -1 3 367.342 4.259 20 0 FIADHM COc1ccccc1C[C@H](CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417570090 1090925584 /nfs/dbraw/zinc/92/55/84/1090925584.db2.gz RRIIMYIQAULZAX-GFCCVEGCSA-N -1 3 374.289 4.097 20 0 FIADHM O=C([O-])[C@H]1C[C@@H](NCc2ccccc2OCC(F)(F)F)c2ccccc21 ZINC000417621264 1090942027 /nfs/dbraw/zinc/94/20/27/1090942027.db2.gz HDESWMIKKOBURY-JKSUJKDBSA-N -1 3 365.351 4.031 20 0 FIADHM COc1cccc(Cl)c1CN[C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000417615240 1090944488 /nfs/dbraw/zinc/94/44/88/1090944488.db2.gz GAGPZKAGYQDJRS-INIZCTEOSA-N -1 3 365.882 4.074 20 0 FIADHM CCCOc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OCC ZINC000417623260 1090946720 /nfs/dbraw/zinc/94/67/20/1090946720.db2.gz PJUUECJZALIOKV-RTBURBONSA-N -1 3 369.461 4.277 20 0 FIADHM CC(C)(C)CC[C@H](NCc1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000417640088 1090952027 /nfs/dbraw/zinc/95/20/27/1090952027.db2.gz VXTZEKUBWQHEFX-LBPRGKRZSA-N -1 3 351.340 4.093 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)C=Cc3ncccc3C)nc(=O)c2c1C ZINC000759801149 1091130955 /nfs/dbraw/zinc/13/09/55/1091130955.db2.gz UZRUEYDSWRWFSS-GUOLPTJISA-N -1 3 369.446 4.035 20 0 FIADHM Cc1nc([C@H](C)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000582122053 1091269753 /nfs/dbraw/zinc/26/97/53/1091269753.db2.gz XJNXASAGQSSVQB-FFSVYQOJSA-N -1 3 362.857 4.407 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2(C)C)cc1[O-] ZINC001648945579 1091901267 /nfs/dbraw/zinc/90/12/67/1091901267.db2.gz ARIPKEUULBVAQQ-QGZVFWFLSA-N -1 3 355.409 4.142 20 0 FIADHM COc1ccccc1COC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000512297950 1092016373 /nfs/dbraw/zinc/01/63/73/1092016373.db2.gz BODWYZNNQJNPPK-UHFFFAOYSA-N -1 3 361.869 4.235 20 0 FIADHM COC(=O)c1cnc(SCc2ccc(OCc3ccccc3)cc2)[n-]1 ZINC000432664891 1092038787 /nfs/dbraw/zinc/03/87/87/1092038787.db2.gz BYXYOCKFYYLVGQ-UHFFFAOYSA-N -1 3 354.431 4.068 20 0 FIADHM COc1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)ccc1F ZINC000432783186 1092351764 /nfs/dbraw/zinc/35/17/64/1092351764.db2.gz YJHUQRDWWKERIG-UHFFFAOYSA-N -1 3 367.442 4.076 20 0 FIADHM CN(Cc1c(F)ccc([O-])c1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000512479762 1092522010 /nfs/dbraw/zinc/52/20/10/1092522010.db2.gz ITDHIPQMTWRZTB-RDTXWAMCSA-N -1 3 351.368 4.162 20 0 FIADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000124103339 1092753924 /nfs/dbraw/zinc/75/39/24/1092753924.db2.gz IOINCEJYMNLKRU-UHFFFAOYSA-N -1 3 373.261 4.061 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccn(C(C)C)c3C)c2)n1 ZINC000549811149 1092801662 /nfs/dbraw/zinc/80/16/62/1092801662.db2.gz WKYWVKMCTZASAQ-UHFFFAOYSA-N -1 3 364.449 4.355 20 0 FIADHM CCn1c2ccccc2nc1[C@H]1CCCN1CCc1ccccc1C(=O)[O-] ZINC000521633460 1092806002 /nfs/dbraw/zinc/80/60/02/1092806002.db2.gz BSROPNXGPLTOIM-HXUWFJFHSA-N -1 3 363.461 4.134 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)sc1Cl ZINC001211736787 1092932754 /nfs/dbraw/zinc/93/27/54/1092932754.db2.gz HLHAHUUEGFFLJU-OCCSQVGLSA-N -1 3 373.902 4.464 20 0 FIADHM C[C@]1(c2ccccc2)CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000521886791 1092959516 /nfs/dbraw/zinc/95/95/16/1092959516.db2.gz LSVVFDHMDPEDHZ-IBGZPJMESA-N -1 3 374.278 4.311 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1Cl ZINC000432950430 1092986145 /nfs/dbraw/zinc/98/61/45/1092986145.db2.gz OZXOKAQQHLTKKD-UHFFFAOYSA-N -1 3 362.838 4.006 20 0 FIADHM CCCCc1nc(NC(=O)c2sccc2C2CC2)c(C(=O)OCC)[n-]1 ZINC000432982174 1093051103 /nfs/dbraw/zinc/05/11/03/1093051103.db2.gz BOFIMXOZDHNJNM-UHFFFAOYSA-N -1 3 361.467 4.120 20 0 FIADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(F)ccc3F)c2)n1 ZINC000443405105 1093106809 /nfs/dbraw/zinc/10/68/09/1093106809.db2.gz INMUYSLGBALZGZ-UHFFFAOYSA-N -1 3 366.414 4.198 20 0 FIADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3F)c2)n1 ZINC000443404355 1093107595 /nfs/dbraw/zinc/10/75/95/1093107595.db2.gz FFQYYSMARQBVJC-UHFFFAOYSA-N -1 3 362.451 4.367 20 0 FIADHM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145424 1093142561 /nfs/dbraw/zinc/14/25/61/1093142561.db2.gz JMQLYJAPXWFMBT-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)[n-]1 ZINC000433107809 1093255335 /nfs/dbraw/zinc/25/53/35/1093255335.db2.gz DJYFDWZDBDKJGO-WMLDXEAASA-N -1 3 370.449 4.149 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)c(F)cc1F ZINC001211763368 1093257460 /nfs/dbraw/zinc/25/74/60/1093257460.db2.gz BVALIWHHMBOHPV-HZPDHXFCSA-N -1 3 365.445 4.278 20 0 FIADHM COc1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c([O-])c1 ZINC000094125187 1093312237 /nfs/dbraw/zinc/31/22/37/1093312237.db2.gz YORJTIPJKZJOEC-IBGZPJMESA-N -1 3 350.418 4.250 20 0 FIADHM CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1Cl ZINC000522340711 1093351267 /nfs/dbraw/zinc/35/12/67/1093351267.db2.gz XQYCDWXNIMKDFY-IBGZPJMESA-N -1 3 354.837 4.309 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3CCC[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000522370813 1093429625 /nfs/dbraw/zinc/42/96/25/1093429625.db2.gz LWBAYLHPIKLMSX-HOCLYGCPSA-N -1 3 368.481 4.496 20 0 FIADHM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1C ZINC000029048406 1093479406 /nfs/dbraw/zinc/47/94/06/1093479406.db2.gz KUGFFRFRSGXCKS-UHFFFAOYSA-N -1 3 363.479 4.148 20 0 FIADHM CSc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)c2)n[n-]1 ZINC000433249243 1093493025 /nfs/dbraw/zinc/49/30/25/1093493025.db2.gz VUHWANFOSHJTKJ-UHFFFAOYSA-N -1 3 350.856 4.161 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)c3cccc(C(C)C)c3)c[n-]c12 ZINC000433314378 1093567393 /nfs/dbraw/zinc/56/73/93/1093567393.db2.gz AHPKQAZXONNZOY-UHFFFAOYSA-N -1 3 352.409 4.376 20 0 FIADHM CCN(Cc1cccs1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509874618 1093651297 /nfs/dbraw/zinc/65/12/97/1093651297.db2.gz UBAVKALHXMRLRU-UHFFFAOYSA-N -1 3 368.462 4.273 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H](C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000509887964 1093681321 /nfs/dbraw/zinc/68/13/21/1093681321.db2.gz SODOWUKUNATSIG-AWEZNQCLSA-N -1 3 362.433 4.083 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1C ZINC000010516323 1093874453 /nfs/dbraw/zinc/87/44/53/1093874453.db2.gz HRRSCQGOLOXDJV-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc(Cl)ccc3Cl)n[n-]2)o1 ZINC000729205244 1093943792 /nfs/dbraw/zinc/94/37/92/1093943792.db2.gz KHEAPFNKPSQTCY-UHFFFAOYSA-N -1 3 352.177 4.037 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3nc(Cl)ccc3Cl)[n-]n2)o1 ZINC000729205244 1093943793 /nfs/dbraw/zinc/94/37/93/1093943793.db2.gz KHEAPFNKPSQTCY-UHFFFAOYSA-N -1 3 352.177 4.037 20 0 FIADHM CC(=O)c1cc(F)cc(F)c1OCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000729240259 1093949872 /nfs/dbraw/zinc/94/98/72/1093949872.db2.gz WWTWARHUUPWIGL-UHFFFAOYSA-N -1 3 370.311 4.141 20 0 FIADHM Cc1nc2ccccc2n1C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000513366227 1094081583 /nfs/dbraw/zinc/08/15/83/1094081583.db2.gz JHHRKXBULBPHTN-UHFFFAOYSA-N -1 3 357.404 4.166 20 0 FIADHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2nc3cccnc3s2)c(F)c1 ZINC000513622589 1094241300 /nfs/dbraw/zinc/24/13/00/1094241300.db2.gz VFZHSMQWTOJOTH-UHFFFAOYSA-N -1 3 373.409 4.038 20 0 FIADHM CCC(CC)NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210262 1094316143 /nfs/dbraw/zinc/31/61/43/1094316143.db2.gz GWEUOHDWPUTNEW-JTQLQIEISA-N -1 3 368.503 4.206 20 0 FIADHM O=C([N-]c1nc2ccc(Oc3ccccc3)cc2s1)c1cnns1 ZINC000054149245 1094368684 /nfs/dbraw/zinc/36/86/84/1094368684.db2.gz PVYVGXWFYUCLGO-UHFFFAOYSA-N -1 3 354.416 4.192 20 0 FIADHM COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)c([O-])c1 ZINC000013831428 1094576674 /nfs/dbraw/zinc/57/66/74/1094576674.db2.gz BQBASHBRCRXSPW-UHFFFAOYSA-N -1 3 359.472 4.366 20 0 FIADHM O=C([N-]c1c(F)cccc1F)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000102974674 1094700377 /nfs/dbraw/zinc/70/03/77/1094700377.db2.gz WLIPSELPWXFRSW-UHFFFAOYSA-N -1 3 360.341 4.069 20 0 FIADHM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000501999949 1095043208 /nfs/dbraw/zinc/04/32/08/1095043208.db2.gz ORNQEXBLPCNNMT-UHFFFAOYSA-N -1 3 366.179 4.481 20 0 FIADHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000502648893 1095684206 /nfs/dbraw/zinc/68/42/06/1095684206.db2.gz OINPXLFPCRKTQT-SECBINFHSA-N -1 3 365.220 4.189 20 0 FIADHM Cn1ncc2c1ncnc2[N-]c1nc(-c2cccc3ccccc32)cs1 ZINC000502747571 1095780588 /nfs/dbraw/zinc/78/05/88/1095780588.db2.gz QLDFMVJILSDNSI-UHFFFAOYSA-N -1 3 358.430 4.384 20 0 FIADHM O=C(CCc1cc(Br)cs1)Nc1cc(Cl)ccc1[O-] ZINC000502750041 1095784381 /nfs/dbraw/zinc/78/43/81/1095784381.db2.gz GTPWPUWBKBRVGK-UHFFFAOYSA-N -1 3 360.660 4.441 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc4ccsc43)c[n-]c12 ZINC000502910311 1095939582 /nfs/dbraw/zinc/93/95/82/1095939582.db2.gz VTKTWPFWMPFMNT-UHFFFAOYSA-N -1 3 352.390 4.443 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3C[C@@H](C)C[C@H](C)C3)c2)n1 ZINC000502929024 1095958557 /nfs/dbraw/zinc/95/85/57/1095958557.db2.gz LFEUXWSGHKIOTP-KBPBESRZSA-N -1 3 353.466 4.422 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](CC(F)F)c1ccccc1 ZINC000422027842 1096039392 /nfs/dbraw/zinc/03/93/92/1096039392.db2.gz RGEISSPGFDZMNT-MRXNPFEDSA-N -1 3 351.368 4.367 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2sc(C(C)(C)C)nc2C)c(F)c1 ZINC000271995338 1096147231 /nfs/dbraw/zinc/14/72/31/1096147231.db2.gz HMJCSCXSAGCNJI-UHFFFAOYSA-N -1 3 352.406 4.482 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(C)c1 ZINC000509543301 1096152249 /nfs/dbraw/zinc/15/22/49/1096152249.db2.gz QNHJXQDOMFPFLV-UHFFFAOYSA-N -1 3 357.479 4.343 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000469193777 1096246190 /nfs/dbraw/zinc/24/61/90/1096246190.db2.gz HCSUEOQEXRFJKB-UONOGXRCSA-N -1 3 361.379 4.339 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCOc2ccccc21)c1cc(Cl)ccc1Cl ZINC000504549365 1096806997 /nfs/dbraw/zinc/80/69/97/1096806997.db2.gz UOOSIPMVMQFVLK-CQSZACIVSA-N -1 3 372.273 4.186 20 0 FIADHM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ncccc1[O-] ZINC000436092150 1098708987 /nfs/dbraw/zinc/70/89/87/1098708987.db2.gz QBGDJJXOUKJXSC-UHFFFAOYSA-N -1 3 364.188 4.310 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000515628853 1098776080 /nfs/dbraw/zinc/77/60/80/1098776080.db2.gz PHSZWDSLCCEPOY-CYBMUJFWSA-N -1 3 360.479 4.268 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c1Cl ZINC000515707274 1098852139 /nfs/dbraw/zinc/85/21/39/1098852139.db2.gz MJYMDOSEIDGIGP-GFCCVEGCSA-N -1 3 360.262 4.251 20 0 FIADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000515709537 1098852979 /nfs/dbraw/zinc/85/29/79/1098852979.db2.gz PRWPADBIMXLFAJ-CABZTGNLSA-N -1 3 360.262 4.188 20 0 FIADHM O=C(CCOc1ccc(Cl)cc1)Nc1ccc(Br)cc1[O-] ZINC000515808678 1098947948 /nfs/dbraw/zinc/94/79/48/1098947948.db2.gz CFBQIHBGIVCBJX-UHFFFAOYSA-N -1 3 370.630 4.216 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(Cc2cccnc2)no1 ZINC000436510901 1099069917 /nfs/dbraw/zinc/06/99/17/1099069917.db2.gz FKRJTPULVNZSSS-UHFFFAOYSA-N -1 3 359.385 4.007 20 0 FIADHM CCc1ccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c([O-])c1 ZINC000436517821 1099091881 /nfs/dbraw/zinc/09/18/81/1099091881.db2.gz YWVCPEDGOVXUEE-UHFFFAOYSA-N -1 3 364.367 4.085 20 0 FIADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCc2ccc(F)cc21 ZINC000436538035 1099103958 /nfs/dbraw/zinc/10/39/58/1099103958.db2.gz IGRBBPLUHAFPCG-UHFFFAOYSA-N -1 3 363.388 4.313 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c([O-])c1 ZINC000436558717 1099114009 /nfs/dbraw/zinc/11/40/09/1099114009.db2.gz YTSFWNGXUIJPPY-UHFFFAOYSA-N -1 3 352.409 4.341 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000436573496 1099123704 /nfs/dbraw/zinc/12/37/04/1099123704.db2.gz IATGACMZJMYOIE-QHCPKHFHSA-N -1 3 365.473 4.016 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000436592128 1099125702 /nfs/dbraw/zinc/12/57/02/1099125702.db2.gz ZRZNWLQLVXDSOZ-GOSISDBHSA-N -1 3 351.446 4.393 20 0 FIADHM CCc1c(NC(=O)c2cc(OC)ccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436596059 1099126674 /nfs/dbraw/zinc/12/66/74/1099126674.db2.gz PABJFQKPERXOAM-UHFFFAOYSA-N -1 3 371.824 4.055 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC2(CCOCC2)C1 ZINC000436582914 1099132062 /nfs/dbraw/zinc/13/20/62/1099132062.db2.gz JCRQDKHFDGBLJR-UHFFFAOYSA-N -1 3 365.473 4.016 20 0 FIADHM CN(CCc1ccc(F)cc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436613064 1099145610 /nfs/dbraw/zinc/14/56/10/1099145610.db2.gz SAMNVZGKMKXGPH-UHFFFAOYSA-N -1 3 363.432 4.437 20 0 FIADHM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436627755 1099155913 /nfs/dbraw/zinc/15/59/13/1099155913.db2.gz VDKWEVURBLPFCE-SECBINFHSA-N -1 3 352.217 4.164 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000533618836 1099217266 /nfs/dbraw/zinc/21/72/66/1099217266.db2.gz KABYCRKGFWTGCL-UHFFFAOYSA-N -1 3 371.824 4.468 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c([O-])c1 ZINC000436688009 1099221363 /nfs/dbraw/zinc/22/13/63/1099221363.db2.gz KAIQVUFYJASKKR-IBGZPJMESA-N -1 3 359.853 4.383 20 0 FIADHM COc1cccc(C(=O)Nc2ncccc2OCC2CCCCC2)c1[O-] ZINC000436694513 1099227909 /nfs/dbraw/zinc/22/79/09/1099227909.db2.gz ZLLFAGJKFNWVLR-UHFFFAOYSA-N -1 3 356.422 4.007 20 0 FIADHM Cc1cnc(-c2cccc(NC(=O)c3ccc4c(c3[O-])OC(C)(C)C4)c2)o1 ZINC000436704793 1099237842 /nfs/dbraw/zinc/23/78/42/1099237842.db2.gz NDOXWWNJHSMQSN-UHFFFAOYSA-N -1 3 364.401 4.321 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c([O-])c1 ZINC000436748232 1099282374 /nfs/dbraw/zinc/28/23/74/1099282374.db2.gz OGPRKESNOGZJGA-UHFFFAOYSA-N -1 3 374.278 4.483 20 0 FIADHM CC(C)c1ccc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)c([O-])c1 ZINC000436769121 1099310597 /nfs/dbraw/zinc/31/05/97/1099310597.db2.gz KYKCYGUCFXBMDJ-UHFFFAOYSA-N -1 3 366.461 4.184 20 0 FIADHM CCC(CC)c1cc(C(=O)Nc2cc(Br)ccc2[O-])on1 ZINC000436798335 1099312037 /nfs/dbraw/zinc/31/20/37/1099312037.db2.gz KVTBWAVCVBAJAY-UHFFFAOYSA-N -1 3 353.216 4.299 20 0 FIADHM CCC(CC)[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1cccs1 ZINC000436785741 1099316756 /nfs/dbraw/zinc/31/67/56/1099316756.db2.gz GCOZTTHODQKCFD-GOSISDBHSA-N -1 3 360.479 4.319 20 0 FIADHM Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000436789853 1099321090 /nfs/dbraw/zinc/32/10/90/1099321090.db2.gz FIPPSCPTMAYBEE-CYBMUJFWSA-N -1 3 351.368 4.423 20 0 FIADHM CC1(C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1[C@@H]1CCCO1 ZINC000436788261 1099321117 /nfs/dbraw/zinc/32/11/17/1099321117.db2.gz VXPBCXRCDUDGLH-SFTDATJTSA-N -1 3 365.473 4.013 20 0 FIADHM Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c([O-])c1 ZINC000436789854 1099321139 /nfs/dbraw/zinc/32/11/39/1099321139.db2.gz FIPPSCPTMAYBEE-ZDUSSCGKSA-N -1 3 351.368 4.423 20 0 FIADHM CC(C)c1ccc(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)c([O-])c1 ZINC000436795233 1099327302 /nfs/dbraw/zinc/32/73/02/1099327302.db2.gz YOIYBSOIMLTDNR-INIZCTEOSA-N -1 3 368.477 4.161 20 0 FIADHM CCc1ccc(C(=O)N(C)Cc2ccc(Br)s2)c([O-])c1 ZINC000436813313 1099338758 /nfs/dbraw/zinc/33/87/58/1099338758.db2.gz ZVNXXHWCHFZLIQ-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM [O-]c1ccc(Nc2ccc(I)cc2F)c(F)c1F ZINC001212007618 1099373157 /nfs/dbraw/zinc/37/31/57/1099373157.db2.gz RCVBILANUPXEHF-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000436865327 1099374978 /nfs/dbraw/zinc/37/49/78/1099374978.db2.gz RIEIHNSHTMIDEV-MRXNPFEDSA-N -1 3 365.351 4.484 20 0 FIADHM Cn1nc(Br)c2cccc(Nc3ccc([O-])c(F)c3F)c21 ZINC001212010902 1099375415 /nfs/dbraw/zinc/37/54/15/1099375415.db2.gz GMNIXUWHABEIMH-UHFFFAOYSA-N -1 3 354.154 4.063 20 0 FIADHM Cc1cc(C(=O)NCc2cccnc2)ccc1Nc1ccc([O-])c(F)c1F ZINC001212013961 1099376364 /nfs/dbraw/zinc/37/63/64/1099376364.db2.gz RRWQZJDLWOXRAY-UHFFFAOYSA-N -1 3 369.371 4.047 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(Nc3nc(C)cs3)cc2)c1[O-] ZINC000436875608 1099388946 /nfs/dbraw/zinc/38/89/46/1099388946.db2.gz UZVMMKCUFODWKK-UHFFFAOYSA-N -1 3 355.419 4.162 20 0 FIADHM CCCC(CCC)c1ccc(OS(=O)(=O)c2c(C)n[n-]c2C)cc1 ZINC001212044833 1099396878 /nfs/dbraw/zinc/39/68/78/1099396878.db2.gz AORCCDYLXMATKX-UHFFFAOYSA-N -1 3 350.484 4.478 20 0 FIADHM CCC(=O)[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436896875 1099423521 /nfs/dbraw/zinc/42/35/21/1099423521.db2.gz OXJPRIAEARLXMG-SFHVURJKSA-N -1 3 353.418 4.158 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3cc(F)ccc3C(F)(F)F)no2)c1 ZINC000436899861 1099424510 /nfs/dbraw/zinc/42/45/10/1099424510.db2.gz GFOAUASYTUEJOC-UHFFFAOYSA-N -1 3 354.259 4.276 20 0 FIADHM Cc1ccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)c([O-])c1 ZINC000436917576 1099433365 /nfs/dbraw/zinc/43/33/65/1099433365.db2.gz BOQDDIJGKVYCBD-UHFFFAOYSA-N -1 3 363.186 4.243 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(N3CCCC3)cn2)no1 ZINC000436927600 1099442728 /nfs/dbraw/zinc/44/27/28/1099442728.db2.gz SSWCJDUBFDBWET-UHFFFAOYSA-N -1 3 358.401 4.258 20 0 FIADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2ccc(Br)cc21 ZINC000436945838 1099456463 /nfs/dbraw/zinc/45/64/63/1099456463.db2.gz VLSSAZKMNTXMJK-UHFFFAOYSA-N -1 3 372.262 4.236 20 0 FIADHM CCCC[C@H](CCC)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436962610 1099462439 /nfs/dbraw/zinc/46/24/39/1099462439.db2.gz MIOYGCOTWKPVAB-AWEZNQCLSA-N -1 3 373.453 4.030 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)c([O-])c1 ZINC000436972919 1099479753 /nfs/dbraw/zinc/47/97/53/1099479753.db2.gz RBFBZMWRLWBIGI-AWEZNQCLSA-N -1 3 370.449 4.021 20 0 FIADHM CCOCCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000437285691 1099768914 /nfs/dbraw/zinc/76/89/14/1099768914.db2.gz HUUYGDYRQFEWPM-UHFFFAOYSA-N -1 3 350.465 4.317 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)c([O-])c1 ZINC000516763092 1099783422 /nfs/dbraw/zinc/78/34/22/1099783422.db2.gz FFPYDOQWWJTXJE-UHFFFAOYSA-N -1 3 356.491 4.056 20 0 FIADHM O=C([O-])c1ccc(CNCc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000263432243 1099789063 /nfs/dbraw/zinc/78/90/63/1099789063.db2.gz SNKZPUIKEDJKLM-UHFFFAOYSA-N -1 3 366.461 4.193 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000437306702 1099790521 /nfs/dbraw/zinc/79/05/21/1099790521.db2.gz MKBNZRBSVBJYSH-MLGOLLRUSA-N -1 3 365.807 4.319 20 0 FIADHM C[C@@]12CN(Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000516939266 1099946508 /nfs/dbraw/zinc/94/65/08/1099946508.db2.gz RUISQWZNLYJXEA-RIQKESGGSA-N -1 3 366.486 4.152 20 0 FIADHM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437667616 1100081276 /nfs/dbraw/zinc/08/12/76/1100081276.db2.gz JANQRWTXHGCBBH-UHFFFAOYSA-N -1 3 366.689 4.273 20 0 FIADHM CC[C@@](C)(NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(C)cs1 ZINC000459398311 1100105978 /nfs/dbraw/zinc/10/59/78/1100105978.db2.gz YOUUUEVYCZQPCE-LJQANCHMSA-N -1 3 354.479 4.029 20 0 FIADHM Cc1ccc([O-])c(CN2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)n1 ZINC000536680735 1100146528 /nfs/dbraw/zinc/14/65/28/1100146528.db2.gz BKHSENHEYKJRLP-GOSISDBHSA-N -1 3 368.868 4.476 20 0 FIADHM Cc1csc([C@H](NCc2cccc([O-])c2Br)C2CC2)n1 ZINC000459426993 1100164123 /nfs/dbraw/zinc/16/41/23/1100164123.db2.gz UPHXZEMJSJEMOE-CQSZACIVSA-N -1 3 353.285 4.161 20 0 FIADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000517244923 1100217788 /nfs/dbraw/zinc/21/77/88/1100217788.db2.gz PDXZMLQEFCFSEE-NSHDSACASA-N -1 3 357.841 4.079 20 0 FIADHM Cc1cnc(C2CCN(Cc3cccc([O-])c3Br)CC2)s1 ZINC000459504970 1100245429 /nfs/dbraw/zinc/24/54/29/1100245429.db2.gz JHPPPCVZPGBAHB-UHFFFAOYSA-N -1 3 367.312 4.299 20 0 FIADHM [O-]c1cccc(CN2CCC(F)(c3cccnc3)CC2)c1Br ZINC000459513358 1100250080 /nfs/dbraw/zinc/25/00/80/1100250080.db2.gz AFATZBWNICWBIG-UHFFFAOYSA-N -1 3 365.246 4.011 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437887035 1100264669 /nfs/dbraw/zinc/26/46/69/1100264669.db2.gz DZPJDCVUGRHYGQ-PKOBYXMFSA-N -1 3 350.393 4.040 20 0 FIADHM C[C@H](NCc1cccc([O-])c1Br)[C@H]1OCCc2sccc21 ZINC000459555732 1100302416 /nfs/dbraw/zinc/30/24/16/1100302416.db2.gz IIHLBOZAHJEGJU-MGPLVRAMSA-N -1 3 368.296 4.008 20 0 FIADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Br ZINC000459573289 1100321162 /nfs/dbraw/zinc/32/11/62/1100321162.db2.gz INHTXJQAUUKGGA-ONGXEEELSA-N -1 3 352.194 4.318 20 0 FIADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000517438340 1100375751 /nfs/dbraw/zinc/37/57/51/1100375751.db2.gz YAQWTCAGSVWZOA-UHFFFAOYSA-N -1 3 361.449 4.169 20 0 FIADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000517438340 1100375762 /nfs/dbraw/zinc/37/57/62/1100375762.db2.gz YAQWTCAGSVWZOA-UHFFFAOYSA-N -1 3 361.449 4.169 20 0 FIADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000517461146 1100403272 /nfs/dbraw/zinc/40/32/72/1100403272.db2.gz ANCOIJDACQDULO-UHFFFAOYSA-N -1 3 361.449 4.169 20 0 FIADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000517461146 1100403277 /nfs/dbraw/zinc/40/32/77/1100403277.db2.gz ANCOIJDACQDULO-UHFFFAOYSA-N -1 3 361.449 4.169 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000469375245 1100425409 /nfs/dbraw/zinc/42/54/09/1100425409.db2.gz MKBNZRBSVBJYSH-LRDDRELGSA-N -1 3 365.807 4.319 20 0 FIADHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1cc(Cl)ccc1Cl ZINC000023345619 1100545362 /nfs/dbraw/zinc/54/53/62/1100545362.db2.gz JECLZUQSHJHICH-UHFFFAOYSA-N -1 3 369.229 4.332 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000517730122 1100633818 /nfs/dbraw/zinc/63/38/18/1100633818.db2.gz NAODAYICEHXMIB-UHFFFAOYSA-N -1 3 362.176 4.105 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccc(OC3CCC3)cc2Cl)c1[O-] ZINC000517977405 1100834932 /nfs/dbraw/zinc/83/49/32/1100834932.db2.gz JMVLLRMGBHZROC-UHFFFAOYSA-N -1 3 359.809 4.432 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c1Cl ZINC000518051556 1100879671 /nfs/dbraw/zinc/87/96/71/1100879671.db2.gz OXIVFTBHMMHCJM-AWEZNQCLSA-N -1 3 374.264 4.407 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1c(Cl)cccc1Cl ZINC000518052094 1100880476 /nfs/dbraw/zinc/88/04/76/1100880476.db2.gz MAKXKDGUHDBTFH-CQSZACIVSA-N -1 3 360.237 4.098 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C1CCCC1 ZINC001211846159 1100996567 /nfs/dbraw/zinc/99/65/67/1100996567.db2.gz MVNSZXHFHMWBNW-SECBINFHSA-N -1 3 355.809 4.216 20 0 FIADHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C2CC2)n1 ZINC000438979273 1101061172 /nfs/dbraw/zinc/06/11/72/1101061172.db2.gz OLPORTCVYUNJFF-AWEZNQCLSA-N -1 3 370.565 4.240 20 0 FIADHM CC(C)(C)c1ccc(C(C)(C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000439123622 1101179228 /nfs/dbraw/zinc/17/92/28/1101179228.db2.gz LVARXEFXKYOUPV-UHFFFAOYSA-N -1 3 354.376 4.037 20 0 FIADHM CC(C)(C)c1ccc(C(C)(C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000439123622 1101179232 /nfs/dbraw/zinc/17/92/32/1101179232.db2.gz LVARXEFXKYOUPV-UHFFFAOYSA-N -1 3 354.376 4.037 20 0 FIADHM COCCCn1c(=O)[n-]nc1S[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000439284504 1101305376 /nfs/dbraw/zinc/30/53/76/1101305376.db2.gz ZFPIXPZYNLZJDQ-CYBMUJFWSA-N -1 3 373.478 4.035 20 0 FIADHM COC(=O)c1ccc(C(=O)[N-]c2cc(Cl)ccc2SC)c(F)c1 ZINC000475710606 1101408544 /nfs/dbraw/zinc/40/85/44/1101408544.db2.gz RXHRNFATCGEOAN-UHFFFAOYSA-N -1 3 353.802 4.240 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)c3cc4ccccc4o3)cc2)n1 ZINC000176179056 1101447365 /nfs/dbraw/zinc/44/73/65/1101447365.db2.gz PMJVBPMWEGEHRS-AWEZNQCLSA-N -1 3 373.412 4.234 20 0 FIADHM CC(C)(NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000537136425 1101490026 /nfs/dbraw/zinc/49/00/26/1101490026.db2.gz FULOTKJGGVIYAI-UHFFFAOYSA-N -1 3 369.371 4.385 20 0 FIADHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)cc1F ZINC000475740459 1101546029 /nfs/dbraw/zinc/54/60/29/1101546029.db2.gz QSAUTPUKTDESHB-JTQLQIEISA-N -1 3 374.478 4.067 20 0 FIADHM Cc1cc(C)cc(C2=CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)c1 ZINC000180312609 1101576022 /nfs/dbraw/zinc/57/60/22/1101576022.db2.gz VXPGDPUFIJAQGR-UHFFFAOYSA-N -1 3 358.441 4.074 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000506626378 1101585766 /nfs/dbraw/zinc/58/57/66/1101585766.db2.gz XPIROZNACLLEEW-VIFPVBQESA-N -1 3 359.731 4.435 20 0 FIADHM CCOc1cc(-c2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)cc(Cl)c1[O-] ZINC000445427055 1101643482 /nfs/dbraw/zinc/64/34/82/1101643482.db2.gz MRGIYQXHNNMZLB-UTUOFQBUSA-N -1 3 365.861 4.428 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC=C(C(C)(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000533908179 1101959532 /nfs/dbraw/zinc/95/95/32/1101959532.db2.gz SHPJCNULRHQLCT-UHFFFAOYSA-N -1 3 366.465 4.368 20 0 FIADHM Cc1ccccc1-n1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC000476175628 1102016846 /nfs/dbraw/zinc/01/68/46/1102016846.db2.gz VDQIOZKSHVQZHX-UHFFFAOYSA-N -1 3 361.323 4.157 20 0 FIADHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476178104 1102019805 /nfs/dbraw/zinc/01/98/05/1102019805.db2.gz UVDBERTYZFAFDJ-UHFFFAOYSA-N -1 3 364.245 4.386 20 0 FIADHM Cc1nc(C)c(Cc2nc(C3CCC(c4ccccc4)CC3)no2)c(=O)[n-]1 ZINC000519318743 1102091046 /nfs/dbraw/zinc/09/10/46/1102091046.db2.gz PWYQQKUJQVEFOM-UHFFFAOYSA-N -1 3 364.449 4.214 20 0 FIADHM Cc1nc(-c2ccccc2[N-]S(=O)(=O)CCc2ccccc2)cs1 ZINC000475829654 1102107798 /nfs/dbraw/zinc/10/77/98/1102107798.db2.gz MFWVIWOEQNMJMD-UHFFFAOYSA-N -1 3 358.488 4.103 20 0 FIADHM Cn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(-c2ccc(Cl)s2)n1 ZINC000476335336 1102124047 /nfs/dbraw/zinc/12/40/47/1102124047.db2.gz SVBALRPRXBBVDQ-UHFFFAOYSA-N -1 3 368.245 4.413 20 0 FIADHM C[C@]1(C(=O)[O-])CCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000263477844 1102173803 /nfs/dbraw/zinc/17/38/03/1102173803.db2.gz FSCLPHMMQJWFAP-INIZCTEOSA-N -1 3 371.289 4.414 20 0 FIADHM CCCCOc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)cc1OC ZINC000263505261 1102201566 /nfs/dbraw/zinc/20/15/66/1102201566.db2.gz WXIAIXJYCBMHQN-OAHLLOKOSA-N -1 3 357.450 4.423 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccc(-c3ccccc3F)s2)C[C@H]1C(F)(F)F ZINC000263512794 1102208541 /nfs/dbraw/zinc/20/85/41/1102208541.db2.gz NXMWIXCADMEQOJ-CHWSQXEVSA-N -1 3 373.371 4.249 20 0 FIADHM Cc1ccc(-c2nc(CNC[C@H](CC(=O)[O-])c3ccccc3)cs2)cc1 ZINC000426636763 1102212075 /nfs/dbraw/zinc/21/20/75/1102212075.db2.gz IIHWATXEULBJCI-SFHVURJKSA-N -1 3 366.486 4.467 20 0 FIADHM Cc1ccc(-c2ccc(CNC[C@H](Oc3ccc(F)cc3)C(=O)[O-])o2)cc1 ZINC000426647250 1102236830 /nfs/dbraw/zinc/23/68/30/1102236830.db2.gz MKCHMKMOSNXAEL-FQEVSTJZSA-N -1 3 369.392 4.016 20 0 FIADHM CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](C)C(F)(F)F ZINC000640053999 1102240960 /nfs/dbraw/zinc/24/09/60/1102240960.db2.gz YXXADZFGYCXSFZ-SECBINFHSA-N -1 3 371.384 4.430 20 0 FIADHM O=C([O-])c1ccccc1C1CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000666585629 1102306100 /nfs/dbraw/zinc/30/61/00/1102306100.db2.gz DCWFNUOGUULMEG-UHFFFAOYSA-N -1 3 373.456 4.221 20 0 FIADHM O=C([N-]c1cnoc1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000623940724 1102309765 /nfs/dbraw/zinc/30/97/65/1102309765.db2.gz NCFJCGVPMQCNIF-UHFFFAOYSA-N -1 3 354.753 4.026 20 0 FIADHM O=C([O-])c1ccccc1C1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000666586209 1102313030 /nfs/dbraw/zinc/31/30/30/1102313030.db2.gz OMFMSEUVLVBICJ-UHFFFAOYSA-N -1 3 356.491 4.488 20 0 FIADHM O=C(NCc1ncccc1[O-])[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000473629359 1102340230 /nfs/dbraw/zinc/34/02/30/1102340230.db2.gz IKWBDYDZUGRPHZ-IBGZPJMESA-N -1 3 368.433 4.076 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000473636575 1102349424 /nfs/dbraw/zinc/34/94/24/1102349424.db2.gz GSXYCJXRWJONEF-UHFFFAOYSA-N -1 3 371.396 4.039 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](Nc2ccccc2)C1 ZINC000110890842 1102424983 /nfs/dbraw/zinc/42/49/83/1102424983.db2.gz WKEDRUNLSSKZIV-OAQYLSRUSA-N -1 3 372.468 4.310 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)c1 ZINC000121903514 1102497166 /nfs/dbraw/zinc/49/71/66/1102497166.db2.gz ZKCCEIXYTDTBFV-GFCCVEGCSA-N -1 3 372.852 4.370 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)c1 ZINC000122458536 1102579825 /nfs/dbraw/zinc/57/98/25/1102579825.db2.gz GJUMCXNHAKGEDV-HXUWFJFHSA-N -1 3 354.450 4.128 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2cccc(Cl)c2)C(C)C)c1 ZINC000122483029 1102583518 /nfs/dbraw/zinc/58/35/18/1102583518.db2.gz KKJBILPIUXVFCR-UHFFFAOYSA-N -1 3 360.841 4.055 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)c1 ZINC000122738938 1102618354 /nfs/dbraw/zinc/61/83/54/1102618354.db2.gz MGLMYUDRDZFGMZ-HNNXBMFYSA-N -1 3 366.461 4.354 20 0 FIADHM Cc1occc1C(=O)Nc1cc(NC(=O)c2cccc(C)c2[O-])ccc1F ZINC000122899531 1102649585 /nfs/dbraw/zinc/64/95/85/1102649585.db2.gz ATLBJYITYRYXGB-UHFFFAOYSA-N -1 3 368.364 4.246 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(COC(C)C)cc3)c[n-]c12 ZINC000122930307 1102674482 /nfs/dbraw/zinc/67/44/82/1102674482.db2.gz JAGFLIXOVHRVEM-UHFFFAOYSA-N -1 3 368.408 4.153 20 0 FIADHM CSc1ccc(-c2nsc([N-]C(=O)c3ccc(F)cc3F)n2)cc1 ZINC000440465789 1102707383 /nfs/dbraw/zinc/70/73/83/1102707383.db2.gz OKVQMFAXNFPIQH-UHFFFAOYSA-N -1 3 363.414 4.458 20 0 FIADHM O=C([N-]c1ccsc1Cl)c1cc(COc2ccccc2F)on1 ZINC000187903714 1102710591 /nfs/dbraw/zinc/71/05/91/1102710591.db2.gz PPPSJLCKSYVYDB-UHFFFAOYSA-N -1 3 352.774 4.360 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nc(-c2ccncc2)cs1 ZINC000550934332 1102714413 /nfs/dbraw/zinc/71/44/13/1102714413.db2.gz FBXRWSJWOVQFBY-SNVBAGLBSA-N -1 3 359.838 4.055 20 0 FIADHM COc1ccc(C(C)(C)C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000532659242 1102753550 /nfs/dbraw/zinc/75/35/50/1102753550.db2.gz AEIQRVIXMQGPEK-UHFFFAOYSA-N -1 3 364.239 4.080 20 0 FIADHM O=C(c1ccccc1)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459318778 1102805175 /nfs/dbraw/zinc/80/51/75/1102805175.db2.gz VWKYHXVUTQXDSY-UHFFFAOYSA-N -1 3 374.278 4.250 20 0 FIADHM CCOc1cc(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(Cl)c1[O-] ZINC000459351004 1102886914 /nfs/dbraw/zinc/88/69/14/1102886914.db2.gz ZGLDPAZMKNGSDC-SJCJKPOMSA-N -1 3 367.898 4.468 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Br)cc1F)c1ccccc1 ZINC000426718076 1102938764 /nfs/dbraw/zinc/93/87/64/1102938764.db2.gz UYPGGZQBCDYEOU-MEDUHNTESA-N -1 3 366.230 4.140 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC2(C)C)c1Cl ZINC001211950448 1102942558 /nfs/dbraw/zinc/94/25/58/1102942558.db2.gz CAPBWWNCZMRKED-LLVKDONJSA-N -1 3 350.311 4.406 20 0 FIADHM CC(C)Oc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459369476 1102942629 /nfs/dbraw/zinc/94/26/29/1102942629.db2.gz QERPEPCDZWDLEV-UHFFFAOYSA-N -1 3 350.256 4.232 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000426729713 1102949238 /nfs/dbraw/zinc/94/92/38/1102949238.db2.gz GDOLLTWNCCRRGX-CQSZACIVSA-N -1 3 359.731 4.154 20 0 FIADHM Cc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000426734819 1102953487 /nfs/dbraw/zinc/95/34/87/1102953487.db2.gz REBFJAKVVYHBPV-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM CC1([C@@H](NCc2csc(-c3cccs3)n2)C(=O)[O-])CCCCC1 ZINC000426745943 1102961480 /nfs/dbraw/zinc/96/14/80/1102961480.db2.gz IPYHRHUWBAQFSU-AWEZNQCLSA-N -1 3 350.509 4.385 20 0 FIADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000506910614 1102962535 /nfs/dbraw/zinc/96/25/35/1102962535.db2.gz USHFMUOIRMHZDG-LBPRGKRZSA-N -1 3 374.362 4.380 20 0 FIADHM Cc1ccc(-c2nc(CN[C@H](Cc3ccc(F)cc3)C(=O)[O-])cs2)cc1 ZINC000426746839 1102964968 /nfs/dbraw/zinc/96/49/68/1102964968.db2.gz KYIOHYWSZGDYDO-GOSISDBHSA-N -1 3 370.449 4.043 20 0 FIADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1SC ZINC000426753765 1102969137 /nfs/dbraw/zinc/96/91/37/1102969137.db2.gz KVSLYEMVEGKNQM-INIZCTEOSA-N -1 3 369.845 4.125 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(Br)c1)c1ccccc1 ZINC000426756057 1102970546 /nfs/dbraw/zinc/97/05/46/1102970546.db2.gz HOXQBYOAQPUQOV-BDJLRTHQSA-N -1 3 366.230 4.140 20 0 FIADHM O=C([O-])[C@H](NCc1cc2ccc(F)cc2[nH]1)c1ccc(Cl)c(F)c1 ZINC000426755298 1102971741 /nfs/dbraw/zinc/97/17/41/1102971741.db2.gz YDFAUDXNLMVOMQ-MRXNPFEDSA-N -1 3 350.752 4.015 20 0 FIADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1ccc(F)cc1Cl ZINC000426756784 1102972165 /nfs/dbraw/zinc/97/21/65/1102972165.db2.gz ALXJJXKOECLVQG-OAHLLOKOSA-N -1 3 360.187 4.057 20 0 FIADHM Cc1cc(C)cc([C@@H](NCc2cccc(OC(F)(F)F)c2)C(=O)[O-])c1 ZINC000426758690 1102973549 /nfs/dbraw/zinc/97/35/49/1102973549.db2.gz JEBZLOCUOFZQHZ-MRXNPFEDSA-N -1 3 353.340 4.118 20 0 FIADHM O=C([O-])C[C@H](NCc1cnc(-c2ccsc2)s1)c1ccc(F)cc1 ZINC000426768633 1102976455 /nfs/dbraw/zinc/97/64/55/1102976455.db2.gz ATYMMQNOEASETK-HNNXBMFYSA-N -1 3 362.451 4.316 20 0 FIADHM O=C([O-])[C@@H](NCc1coc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000426781009 1102982387 /nfs/dbraw/zinc/98/23/87/1102982387.db2.gz XFCIIMOYEOVVKA-FRXJQHJJSA-N -1 3 366.461 4.101 20 0 FIADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1Oc1cccnc1 ZINC000426782066 1102983335 /nfs/dbraw/zinc/98/33/35/1102983335.db2.gz DOLVESADKYYKLE-SFHVURJKSA-N -1 3 354.431 4.159 20 0 FIADHM Cc1ccccc1[C@H](CC(=O)[O-])NCc1cnc(-c2ccsc2)s1 ZINC000426791467 1102994180 /nfs/dbraw/zinc/99/41/80/1102994180.db2.gz FAPAOYNVDBGFSK-INIZCTEOSA-N -1 3 358.488 4.486 20 0 FIADHM Cc1ccc(Cc2nc(C(=O)[N-]c3nnc(C(C)(C)C)s3)cs2)cc1 ZINC000506978372 1103002821 /nfs/dbraw/zinc/00/28/21/1103002821.db2.gz HHHSDMAFLZWTHI-UHFFFAOYSA-N -1 3 372.519 4.444 20 0 FIADHM CCCCc1ccc(NC(=O)Cc2noc(-c3ccc(C)cc3[O-])n2)cc1 ZINC000445316933 1103018436 /nfs/dbraw/zinc/01/84/36/1103018436.db2.gz DLNYEYSQUABVED-UHFFFAOYSA-N -1 3 365.433 4.274 20 0 FIADHM COc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000532840809 1103264763 /nfs/dbraw/zinc/26/47/63/1103264763.db2.gz YFUAEBBSPJFVEE-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM Cc1ccc(C(C)(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000427111896 1103267014 /nfs/dbraw/zinc/26/70/14/1103267014.db2.gz XCFKVOXLRVIUGA-UHFFFAOYSA-N -1 3 362.267 4.057 20 0 FIADHM CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1c(F)ccc([O-])c1F ZINC000507613955 1103549105 /nfs/dbraw/zinc/54/91/05/1103549105.db2.gz UIOWMZSXSROUAP-UHFFFAOYSA-N -1 3 357.404 4.125 20 0 FIADHM CC[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc2ccccc21 ZINC000894856625 1103621289 /nfs/dbraw/zinc/62/12/89/1103621289.db2.gz ZVDZQEWDQAIGOB-FQEVSTJZSA-N -1 3 363.461 4.152 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cccc(C(F)(F)F)c1 ZINC000025656953 1103676206 /nfs/dbraw/zinc/67/62/06/1103676206.db2.gz VXILUSZALSYOSB-VIFPVBQESA-N -1 3 365.323 4.023 20 0 FIADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc(Cl)ccc1Cl ZINC000025657216 1103676278 /nfs/dbraw/zinc/67/62/78/1103676278.db2.gz ZOJKQDVTFCVUDK-UHFFFAOYSA-N -1 3 373.286 4.082 20 0 FIADHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cccc(Cl)c1Cl ZINC000025657253 1103676307 /nfs/dbraw/zinc/67/63/07/1103676307.db2.gz SWNWAKMPJBDJSD-UHFFFAOYSA-N -1 3 373.286 4.082 20 0 FIADHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000477584754 1103702706 /nfs/dbraw/zinc/70/27/06/1103702706.db2.gz BISIHEGFLGZRJR-UHFFFAOYSA-N -1 3 369.446 4.342 20 0 FIADHM CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc([O-])ccc3Cl)n2)cc1 ZINC000551849047 1103720300 /nfs/dbraw/zinc/72/03/00/1103720300.db2.gz PDUVQNKLEYUYJO-NSHDSACASA-N -1 3 371.824 4.149 20 0 FIADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1c(Cl)ccc2ccccc21 ZINC000536373269 1104834399 /nfs/dbraw/zinc/83/43/99/1104834399.db2.gz COWNHNJJQDFYNY-UHFFFAOYSA-N -1 3 359.825 4.349 20 0 FIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cn(-c2cccc(Cl)c2)nn1 ZINC000189732674 1104841042 /nfs/dbraw/zinc/84/10/42/1104841042.db2.gz DTPUEVMUZIWFRT-UHFFFAOYSA-N -1 3 369.158 4.105 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)c([O-])c1 ZINC000190285602 1104892246 /nfs/dbraw/zinc/89/22/46/1104892246.db2.gz LAHDJPLAGGWEBE-AWEZNQCLSA-N -1 3 360.479 4.047 20 0 FIADHM COc1ccc(-c2nc(C)c(C(=O)Nc3cccc([O-])c3F)s2)cc1 ZINC000536462753 1105143536 /nfs/dbraw/zinc/14/35/36/1105143536.db2.gz LFRFZPFJFUOHMF-UHFFFAOYSA-N -1 3 358.394 4.224 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(C(F)F)ccc1F ZINC000652827027 1105189139 /nfs/dbraw/zinc/18/91/39/1105189139.db2.gz WKCFSZTZCAXSKH-UHFFFAOYSA-N -1 3 353.344 4.117 20 0 FIADHM Cc1c([O-])ccc2c(CNc3ccc(Br)cc3)cc(=O)oc12 ZINC000007222595 1105288240 /nfs/dbraw/zinc/28/82/40/1105288240.db2.gz CFNXUIVSEZOLOW-UHFFFAOYSA-N -1 3 360.207 4.182 20 0 FIADHM O=S(=O)([N-]C12CCC(C(F)(F)F)(CC1)CC2)c1ccc(Cl)s1 ZINC000508128437 1105334771 /nfs/dbraw/zinc/33/47/71/1105334771.db2.gz ORBZVDGCRDRYTH-UHFFFAOYSA-N -1 3 373.849 4.335 20 0 FIADHM O=c1cc(CNc2cccc(C3CCOCC3)c2)nc(-c2ccccc2)[n-]1 ZINC000530123458 1106850968 /nfs/dbraw/zinc/85/09/68/1106850968.db2.gz SYJPYZBLJBQEIU-UHFFFAOYSA-N -1 3 361.445 4.355 20 0 FIADHM CC(C)CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCCc2cccnc21 ZINC000450996534 1106863156 /nfs/dbraw/zinc/86/31/56/1106863156.db2.gz DROLJBVQFNUDFL-SFHVURJKSA-N -1 3 356.441 4.031 20 0 FIADHM Cc1cc(Br)c(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1Cl ZINC000530166517 1106873708 /nfs/dbraw/zinc/87/37/08/1106873708.db2.gz PSBNRIGBVJQYSZ-ITDIGPHOSA-N -1 3 372.690 4.096 20 0 FIADHM O=C([O-])[C@@H](CCN1CCc2cccc(C(F)(F)F)c2C1)c1ccccc1 ZINC000530172333 1106902613 /nfs/dbraw/zinc/90/26/13/1106902613.db2.gz HJVOFQDGBRAHLH-INIZCTEOSA-N -1 3 363.379 4.322 20 0 FIADHM CCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c([O-])c1 ZINC000530326187 1106968406 /nfs/dbraw/zinc/96/84/06/1106968406.db2.gz BHEWDGPKWISULI-LJQANCHMSA-N -1 3 363.461 4.209 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3CCc3ccccc3)nc2)n1 ZINC000301261274 1106974331 /nfs/dbraw/zinc/97/43/31/1106974331.db2.gz VCJBQOMMFIVWAN-HXUWFJFHSA-N -1 3 374.488 4.408 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)c3ccc(OC)cc3)nc2)n1 ZINC000301521086 1107056623 /nfs/dbraw/zinc/05/66/23/1107056623.db2.gz LIAZRTOOCIEQFC-CQSZACIVSA-N -1 3 364.449 4.013 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3cccc(C)c3)nc2)n1 ZINC000301543429 1107066189 /nfs/dbraw/zinc/06/61/89/1107066189.db2.gz SPKQSBSCNIYQBV-IBGZPJMESA-N -1 3 360.461 4.457 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000451442472 1107095748 /nfs/dbraw/zinc/09/57/48/1107095748.db2.gz WDNNRLFXVYBZNM-UHFFFAOYSA-N -1 3 365.807 4.215 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(cc(Br)cc2F)[nH]1 ZINC000530896951 1107387400 /nfs/dbraw/zinc/38/74/00/1107387400.db2.gz GBMPKOACUPUVMN-UHFFFAOYSA-N -1 3 367.149 4.167 20 0 FIADHM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(F)ccc3Cl)c2n1 ZINC000531008842 1107460141 /nfs/dbraw/zinc/46/01/41/1107460141.db2.gz FTXFPMYBSZCXEU-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM CC(C)OCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000531015246 1107463892 /nfs/dbraw/zinc/46/38/92/1107463892.db2.gz RDNJGUICTHFOJW-UHFFFAOYSA-N -1 3 364.239 4.332 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(Br)cc1 ZINC000531155447 1107612642 /nfs/dbraw/zinc/61/26/42/1107612642.db2.gz LPSUTNPPAFZIRZ-UHFFFAOYSA-N -1 3 371.028 4.170 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000452512926 1107762362 /nfs/dbraw/zinc/76/23/62/1107762362.db2.gz PYIWASJIPQZEAS-ZFWWWQNUSA-N -1 3 361.379 4.481 20 0 FIADHM CC[C@@H](C)n1nc(C(=O)Nc2c([O-])ccc(Br)c2C)cc1C ZINC000452756087 1107933464 /nfs/dbraw/zinc/93/34/64/1107933464.db2.gz NMPXSNHYMJVBEZ-SECBINFHSA-N -1 3 366.259 4.191 20 0 FIADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cnc2ccccc2n1 ZINC000523142514 1107935458 /nfs/dbraw/zinc/93/54/58/1107935458.db2.gz MFNNQRZXUOVVGE-UHFFFAOYSA-N -1 3 363.364 4.378 20 0 FIADHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000444602581 1108013160 /nfs/dbraw/zinc/01/31/60/1108013160.db2.gz KPVKVMRWWXBIGK-QGZVFWFLSA-N -1 3 374.362 4.260 20 0 FIADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000531599197 1108015383 /nfs/dbraw/zinc/01/53/83/1108015383.db2.gz XMLOYNMKEWLINZ-OAHLLOKOSA-N -1 3 356.260 4.221 20 0 FIADHM CCN(CC)c1ncc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)s1 ZINC000453021796 1108090952 /nfs/dbraw/zinc/09/09/52/1108090952.db2.gz HMNKXNUTVIBFBI-DTQAZKPQSA-N -1 3 366.490 4.268 20 0 FIADHM COc1cc(Br)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000523663888 1108418839 /nfs/dbraw/zinc/41/88/39/1108418839.db2.gz DSBXOYLEIJRFKS-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM C[C@H](NC(=O)Cc1noc(-c2cc3ccccc3cc2[O-])n1)c1ccccc1 ZINC000445290556 1108618778 /nfs/dbraw/zinc/61/87/78/1108618778.db2.gz CKKBDYHEKHXRQN-AWEZNQCLSA-N -1 3 373.412 4.015 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3c[nH]cc3-c3ccccc3)[nH][n-]2)c1 ZINC000523946079 1108695783 /nfs/dbraw/zinc/69/57/83/1108695783.db2.gz SHDXYZMGJWLVOP-UHFFFAOYSA-N -1 3 356.429 4.363 20 0 FIADHM C[C@@H](NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccoc1 ZINC000532247916 1108726592 /nfs/dbraw/zinc/72/65/92/1108726592.db2.gz VFYJZRIJXCYYIK-CQSZACIVSA-N -1 3 374.437 4.070 20 0 FIADHM [O-]c1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)c(Cl)c1 ZINC000445449048 1108751868 /nfs/dbraw/zinc/75/18/68/1108751868.db2.gz NHIOSTFKFZORJA-KRWDZBQOSA-N -1 3 355.825 4.433 20 0 FIADHM O=c1[n-]nc(SCCCc2cccc3ccccc32)n1C[C@H]1CCCO1 ZINC000524033063 1108763665 /nfs/dbraw/zinc/76/36/65/1108763665.db2.gz AWLJDSFEOABWFG-QGZVFWFLSA-N -1 3 369.490 4.041 20 0 FIADHM COc1cnccc1-c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000445632673 1108929525 /nfs/dbraw/zinc/92/95/25/1108929525.db2.gz MNOUUDBRBITNAG-UHFFFAOYSA-N -1 3 359.385 4.104 20 0 FIADHM Cc1cccc(-c2cccc(CNC(=O)c3cc(=O)c4ccccc4[n-]3)c2)c1 ZINC000524267277 1108940637 /nfs/dbraw/zinc/94/06/37/1108940637.db2.gz LHPKJHIWJKTUBG-UHFFFAOYSA-N -1 3 368.436 4.434 20 0 FIADHM CCSc1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)cc1 ZINC000446142123 1109127851 /nfs/dbraw/zinc/12/78/51/1109127851.db2.gz YQKPOYBFJSVHKP-UHFFFAOYSA-N -1 3 361.264 4.465 20 0 FIADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(F)c(F)cc1Br ZINC000928786092 1109257963 /nfs/dbraw/zinc/25/79/63/1109257963.db2.gz PJYWTIUUQRVZLJ-UHFFFAOYSA-N -1 3 359.170 4.399 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)c(F)c1 ZINC000525184361 1109294899 /nfs/dbraw/zinc/29/48/99/1109294899.db2.gz ADKDYIGDZXKGTJ-NSHDSACASA-N -1 3 361.360 4.192 20 0 FIADHM O=S(=O)(Cc1ccccc1Cl)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000446783461 1109342254 /nfs/dbraw/zinc/34/22/54/1109342254.db2.gz GCAMBFCFMJTZRL-UHFFFAOYSA-N -1 3 371.796 4.096 20 0 FIADHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1 ZINC000447272798 1109486724 /nfs/dbraw/zinc/48/67/24/1109486724.db2.gz FHKZUOVMZWQNQS-UHFFFAOYSA-N -1 3 359.378 4.089 20 0 FIADHM O=S(=O)([N-]Cc1ccc(F)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000509653396 1109604515 /nfs/dbraw/zinc/60/45/15/1109604515.db2.gz OMFUBYKHCJOUJU-UHFFFAOYSA-N -1 3 368.644 4.264 20 0 FIADHM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cccc2n[n-]nc21 ZINC000526119983 1109626285 /nfs/dbraw/zinc/62/62/85/1109626285.db2.gz MCMMAEQPBNHDCQ-IUODEOHRSA-N -1 3 374.366 4.043 20 0 FIADHM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000447785202 1109645040 /nfs/dbraw/zinc/64/50/40/1109645040.db2.gz ANPBCHRRRSWCIK-UHFFFAOYSA-N -1 3 374.506 4.158 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(OC(F)F)c(F)c1 ZINC000447787374 1109645539 /nfs/dbraw/zinc/64/55/39/1109645539.db2.gz KDKRLKXUPDJSNS-UHFFFAOYSA-N -1 3 369.723 4.020 20 0 FIADHM CCS[C@H](C)c1noc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000527167143 1109708445 /nfs/dbraw/zinc/70/84/45/1109708445.db2.gz MADZNWFUKGYKHN-GFCCVEGCSA-N -1 3 371.462 4.015 20 0 FIADHM CCC(C)(C)OCc1cccc(NC(=O)c2cccc3n[n-]nc32)c1C ZINC000527356695 1109748416 /nfs/dbraw/zinc/74/84/16/1109748416.db2.gz LIFYCIZIBJLAND-UHFFFAOYSA-N -1 3 352.438 4.224 20 0 FIADHM Cc1nc(-c2ccccc2)oc1C(=O)N=c1cc(-c2ccccc2F)o[n-]1 ZINC000448492848 1109808491 /nfs/dbraw/zinc/80/84/91/1109808491.db2.gz PWVVQBJZJFLYAF-UHFFFAOYSA-N -1 3 363.348 4.118 20 0 FIADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)nn1C1CCCCC1 ZINC000448492135 1109808996 /nfs/dbraw/zinc/80/89/96/1109808996.db2.gz LEUBXVAXTSBQIV-UHFFFAOYSA-N -1 3 368.412 4.165 20 0 FIADHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1cc(F)c(Cl)cc1F ZINC000448538394 1109817181 /nfs/dbraw/zinc/81/71/81/1109817181.db2.gz NMPTULNTHOEONN-UHFFFAOYSA-N -1 3 352.699 4.087 20 0 FIADHM CCOc1cccc2cc([C@@H](C)NC(=O)Cc3ccc([O-])c(F)c3)oc21 ZINC000448598109 1109834865 /nfs/dbraw/zinc/83/48/65/1109834865.db2.gz NWHALEUDCUUAIC-GFCCVEGCSA-N -1 3 357.381 4.096 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000448914577 1109933194 /nfs/dbraw/zinc/93/31/94/1109933194.db2.gz UVDHLOZITHHMCW-UHFFFAOYSA-N -1 3 363.379 4.323 20 0 FIADHM CC(C)c1ncsc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000449846122 1110183918 /nfs/dbraw/zinc/18/39/18/1110183918.db2.gz VSPAQJAGCOKBQJ-UHFFFAOYSA-N -1 3 350.513 4.493 20 0 FIADHM CC(C)(C)c1cc2cccnc2c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000529940842 1110343565 /nfs/dbraw/zinc/34/35/65/1110343565.db2.gz MSXAEKDLSBUBMF-UHFFFAOYSA-N -1 3 362.433 4.158 20 0 FIADHM O=C([N-]c1nc2ccccn2n1)c1cc2sc3ccccc3c2s1 ZINC000538410550 1111131115 /nfs/dbraw/zinc/13/11/15/1111131115.db2.gz CFVYCBZLPRNEGM-UHFFFAOYSA-N -1 3 350.428 4.411 20 0 FIADHM COC(=O)c1ccc(F)c([N-]C(=O)c2coc(-c3ccccc3Cl)n2)c1 ZINC000538449092 1111146235 /nfs/dbraw/zinc/14/62/35/1111146235.db2.gz FUZXLHURZZDPNY-UHFFFAOYSA-N -1 3 374.755 4.173 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c(C)c1 ZINC000461433155 1111220066 /nfs/dbraw/zinc/22/00/66/1111220066.db2.gz QISDDXJCPAIJJO-UHFFFAOYSA-N -1 3 358.507 4.137 20 0 FIADHM CC[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000461458712 1111223879 /nfs/dbraw/zinc/22/38/79/1111223879.db2.gz ZQAPINJOIOALJY-ZDUSSCGKSA-N -1 3 352.203 4.426 20 0 FIADHM CCc1cccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1[O-] ZINC000538741989 1111274762 /nfs/dbraw/zinc/27/47/62/1111274762.db2.gz GHTODGUKVLJKST-UHFFFAOYSA-N -1 3 352.356 4.292 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2)on1)c1cnc(-c2ccccc2F)s1 ZINC000461635589 1111296916 /nfs/dbraw/zinc/29/69/16/1111296916.db2.gz ZCJLQMRYOYOXNA-UHFFFAOYSA-N -1 3 365.389 4.278 20 0 FIADHM O=c1cc(C(F)(F)F)nc(CNc2ccc3c(c2)Cc2ccccc2-3)[n-]1 ZINC000538857502 1111322051 /nfs/dbraw/zinc/32/20/51/1111322051.db2.gz BPOCYDFKSAUSIP-UHFFFAOYSA-N -1 3 357.335 4.384 20 0 FIADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000667178463 1111377073 /nfs/dbraw/zinc/37/70/73/1111377073.db2.gz KWTMKYUYRQEMPX-DNVCBOLYSA-N -1 3 357.475 4.012 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1Cl ZINC000539399517 1111550583 /nfs/dbraw/zinc/55/05/83/1111550583.db2.gz RANYBLQSMIFVBY-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000478220803 1111719138 /nfs/dbraw/zinc/71/91/38/1111719138.db2.gz ATASDPSRQYMZEN-AEFFLSMTSA-N -1 3 359.416 4.446 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1C ZINC000553149981 1111918502 /nfs/dbraw/zinc/91/85/02/1111918502.db2.gz SQRRRWYQJQJEGO-UHFFFAOYSA-N -1 3 351.493 4.225 20 0 FIADHM O=C(NCCc1csc(-c2ccccc2)n1)c1cc([O-])ccc1Cl ZINC000478963633 1111926622 /nfs/dbraw/zinc/92/66/22/1111926622.db2.gz UADSISAGAIOAKB-UHFFFAOYSA-N -1 3 358.850 4.142 20 0 FIADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccccc3C)c2C1 ZINC000479141429 1111954841 /nfs/dbraw/zinc/95/48/41/1111954841.db2.gz GJTZRYVPLIUWQQ-INIZCTEOSA-N -1 3 358.507 4.300 20 0 FIADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000553949483 1112141686 /nfs/dbraw/zinc/14/16/86/1112141686.db2.gz RFCJXTIOOJVRSA-UHFFFAOYSA-N -1 3 359.925 4.005 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1cc(-c2ccc(Cl)s2)on1 ZINC000479839321 1112160053 /nfs/dbraw/zinc/16/00/53/1112160053.db2.gz RBRQBLUABGTPLP-UHFFFAOYSA-N -1 3 371.805 4.386 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000667589592 1112233193 /nfs/dbraw/zinc/23/31/93/1112233193.db2.gz YAVASAXPNFZIQQ-QGZVFWFLSA-N -1 3 367.474 4.276 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000667589592 1112233197 /nfs/dbraw/zinc/23/31/97/1112233197.db2.gz YAVASAXPNFZIQQ-QGZVFWFLSA-N -1 3 367.474 4.276 20 0 FIADHM Cc1nc(-c2ccccc2NCc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000480147833 1112302640 /nfs/dbraw/zinc/30/26/40/1112302640.db2.gz LSGCFNSJAMHKRH-UHFFFAOYSA-N -1 3 366.368 4.245 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000554525200 1112389696 /nfs/dbraw/zinc/38/96/96/1112389696.db2.gz PNHQRIPEXRIDDF-QGZVFWFLSA-N -1 3 374.366 4.048 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000156235518 1112462477 /nfs/dbraw/zinc/46/24/77/1112462477.db2.gz MLLDETROQCRUTD-UHFFFAOYSA-N -1 3 353.180 4.249 20 0 FIADHM CC(C)c1c(C(=O)Nc2ncccc2[O-])cnn1-c1ccccc1Cl ZINC000480580703 1112488935 /nfs/dbraw/zinc/48/89/35/1112488935.db2.gz QMRBJFYVPCQZJM-UHFFFAOYSA-N -1 3 356.813 4.002 20 0 FIADHM COc1ccc(Br)c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000554954624 1112589084 /nfs/dbraw/zinc/58/90/84/1112589084.db2.gz PHTGJSUCMPZKLD-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM COC(C)(C)c1nc(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000555061687 1112641617 /nfs/dbraw/zinc/64/16/17/1112641617.db2.gz VZNCEKDVPPGVMG-UHFFFAOYSA-N -1 3 374.384 4.310 20 0 FIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1n[nH]c(-c2cccc3ccccc32)n1 ZINC000481599858 1112992935 /nfs/dbraw/zinc/99/29/35/1112992935.db2.gz QEMHIXJSQIZJPS-UHFFFAOYSA-N -1 3 359.389 4.051 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2c(C)[nH]c(C(=O)OCC)c2C)CC)n1 ZINC000600509123 1113065055 /nfs/dbraw/zinc/06/50/55/1113065055.db2.gz BQDZFIPRSVHCLB-UVTDQMKNSA-N -1 3 357.454 4.207 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(Cl)c1 ZINC000481863363 1113110325 /nfs/dbraw/zinc/11/03/25/1113110325.db2.gz HMRWSQZGHXHANP-UHFFFAOYSA-N -1 3 358.246 4.038 20 0 FIADHM O=c1cc(CSCc2coc(-c3ccccc3F)n2)nc(C2CC2)[n-]1 ZINC000600634385 1113113538 /nfs/dbraw/zinc/11/35/38/1113113538.db2.gz XSTCOIAHMUFYOH-UHFFFAOYSA-N -1 3 357.410 4.287 20 0 FIADHM COC(=O)c1ccc(C(=O)[N-]c2c(F)cc(F)cc2-c2ccccc2)o1 ZINC000158952926 1113268216 /nfs/dbraw/zinc/26/82/16/1113268216.db2.gz SKNAVLYSNLUGOS-UHFFFAOYSA-N -1 3 357.312 4.264 20 0 FIADHM CCCc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000482731063 1113341990 /nfs/dbraw/zinc/34/19/90/1113341990.db2.gz FJBOSOBQUDHQOS-UHFFFAOYSA-N -1 3 363.255 4.429 20 0 FIADHM O=c1cc(C=Cc2ccc(-c3ccncc3)cc2F)nc(-c2ccncc2)[n-]1 ZINC000486053336 1113492937 /nfs/dbraw/zinc/49/29/37/1113492937.db2.gz QVWJNLQVMUMHOK-ONEGZZNKSA-N -1 3 370.387 4.203 20 0 FIADHM O=c1cc(C=Cc2nc(-c3ccccc3)cs2)nc(-c2ccncc2)[n-]1 ZINC000486102844 1113506113 /nfs/dbraw/zinc/50/61/13/1113506113.db2.gz OIVUIXFWAYGKOL-VOTSOKGWSA-N -1 3 358.426 4.126 20 0 FIADHM CC(=O)N(c1nc(C=Cc2nc(C)cc(=O)[n-]2)cs1)c1ccc(C)cc1 ZINC000486121091 1113510004 /nfs/dbraw/zinc/51/00/04/1113510004.db2.gz ATBDCRISSLNZII-TWGQIWQCSA-N -1 3 366.446 4.111 20 0 FIADHM O=c1nc(CN2CCC(C(F)F)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000486139587 1113511362 /nfs/dbraw/zinc/51/13/62/1113511362.db2.gz UNQHCDSNIATMIC-UHFFFAOYSA-N -1 3 365.405 4.134 20 0 FIADHM CCC1CCC(N(C)C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000486647837 1113612389 /nfs/dbraw/zinc/61/23/89/1113612389.db2.gz XBTKZFFPOSXBTL-UHFFFAOYSA-N -1 3 369.303 4.265 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000908525179 1113659245 /nfs/dbraw/zinc/65/92/45/1113659245.db2.gz OEFCFNXAVJFLTA-FGWVZKOKSA-N -1 3 356.285 4.076 20 0 FIADHM O=C([N-]NC(=S)Nc1ccc2ccccc2c1)c1ccc2ccccc2n1 ZINC000044050884 1113906572 /nfs/dbraw/zinc/90/65/72/1113906572.db2.gz FWPHCVQPVXGBEI-UHFFFAOYSA-N -1 3 372.453 4.019 20 0 FIADHM Cc1ccc(CCCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488655855 1113970784 /nfs/dbraw/zinc/97/07/84/1113970784.db2.gz CUKJUESVJKVLHI-UHFFFAOYSA-N -1 3 362.267 4.102 20 0 FIADHM O=C(CCc1cc2ccccc2o1)NCc1ccc([O-])c(Br)c1 ZINC000488656481 1113971741 /nfs/dbraw/zinc/97/17/41/1113971741.db2.gz LFCWRMUOIYSVLX-UHFFFAOYSA-N -1 3 374.234 4.150 20 0 FIADHM CCc1ccc([C@@H](C)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000488659684 1113972181 /nfs/dbraw/zinc/97/21/81/1113972181.db2.gz QUPCHRNBZWCTPR-GFCCVEGCSA-N -1 3 362.267 4.137 20 0 FIADHM COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000490187903 1114226608 /nfs/dbraw/zinc/22/66/08/1114226608.db2.gz PQLGKAZIFLHFLZ-FOIQADDNSA-N -1 3 369.461 4.331 20 0 FIADHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000913299657 1114322152 /nfs/dbraw/zinc/32/21/52/1114322152.db2.gz OCLHQXLGRSGSKI-UHFFFAOYSA-N -1 3 365.172 4.016 20 0 FIADHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000913299657 1114322156 /nfs/dbraw/zinc/32/21/56/1114322156.db2.gz OCLHQXLGRSGSKI-UHFFFAOYSA-N -1 3 365.172 4.016 20 0 FIADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1nc2ccccc2n1C(F)F ZINC000913295543 1114324420 /nfs/dbraw/zinc/32/44/20/1114324420.db2.gz HSCFXLZFMSAEEC-JTQLQIEISA-N -1 3 372.331 4.333 20 0 FIADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1nc2ccccc2n1C(F)F ZINC000913295543 1114324424 /nfs/dbraw/zinc/32/44/24/1114324424.db2.gz HSCFXLZFMSAEEC-JTQLQIEISA-N -1 3 372.331 4.333 20 0 FIADHM Cc1nscc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000571478687 1114467741 /nfs/dbraw/zinc/46/77/41/1114467741.db2.gz AIZMIVRTPSYVQR-ZDUSSCGKSA-N -1 3 356.476 4.024 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(C2CCOCC2)CC1 ZINC000571811723 1114540974 /nfs/dbraw/zinc/54/09/74/1114540974.db2.gz ZZWONHSKBFOGSE-QGZVFWFLSA-N -1 3 372.292 4.258 20 0 FIADHM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nc(-c2ccccc2)no1 ZINC000588761016 1114618238 /nfs/dbraw/zinc/61/82/38/1114618238.db2.gz VQKWXCUNBAYRGH-UHFFFAOYSA-N -1 3 353.765 4.119 20 0 FIADHM CC1(c2ccccc2)CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000156894849 1114627285 /nfs/dbraw/zinc/62/72/85/1114627285.db2.gz DZRNIFKWWLWGPO-UHFFFAOYSA-N -1 3 365.506 4.014 20 0 FIADHM O=C([O-])c1ccc(Br)cc1CN1CCSC2(CCC2)CC1 ZINC000572379672 1114639091 /nfs/dbraw/zinc/63/90/91/1114639091.db2.gz NGAIIVNHEQFKHR-UHFFFAOYSA-N -1 3 370.312 4.009 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2sc(Cl)cc21)c1cc(F)ccc1Cl ZINC000572888691 1114804317 /nfs/dbraw/zinc/80/43/17/1114804317.db2.gz HVPNODDYUPPVOO-SNVBAGLBSA-N -1 3 366.266 4.160 20 0 FIADHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000589888939 1114854339 /nfs/dbraw/zinc/85/43/39/1114854339.db2.gz QSHXVHWRMBLZRL-VIFPVBQESA-N -1 3 365.307 4.106 20 0 FIADHM O=C([N-]NC(=O)c1ccc2ccccc2c1)c1cc(Cl)sc1Cl ZINC000057095690 1114869603 /nfs/dbraw/zinc/86/96/03/1114869603.db2.gz VKGHRRGCSFAQFU-UHFFFAOYSA-N -1 3 365.241 4.283 20 0 FIADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000760783853 1114944310 /nfs/dbraw/zinc/94/43/10/1114944310.db2.gz ACUUXTQXRMBMOG-UHFFFAOYSA-N -1 3 353.344 4.194 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000591388318 1115067758 /nfs/dbraw/zinc/06/77/58/1115067758.db2.gz HFSJCUXIRSCGKX-CQSZACIVSA-N -1 3 361.360 4.106 20 0 FIADHM CC(C)[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000573259410 1115087424 /nfs/dbraw/zinc/08/74/24/1115087424.db2.gz WNFGWVLFDCUUNQ-BLLLJJGKSA-N -1 3 372.278 4.472 20 0 FIADHM CCCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)CC(F)(F)F ZINC000591809043 1115154161 /nfs/dbraw/zinc/15/41/61/1115154161.db2.gz HQICPFPPHAGPKV-UHFFFAOYSA-N -1 3 371.384 4.431 20 0 FIADHM O=c1[n-]c(CN2CCCc3sccc3C2)nc2c3ccccc3oc21 ZINC000592982151 1115277153 /nfs/dbraw/zinc/27/71/53/1115277153.db2.gz FZMARGFUHVPPHH-UHFFFAOYSA-N -1 3 351.431 4.092 20 0 FIADHM COc1ccc(CCC2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000574053791 1115287796 /nfs/dbraw/zinc/28/77/96/1115287796.db2.gz GKAWXMQVAVXRIB-UHFFFAOYSA-N -1 3 371.452 4.377 20 0 FIADHM O=C([O-])C[C@H](NCc1cnc(CCc2ccccc2)s1)c1cccs1 ZINC000669472717 1115291644 /nfs/dbraw/zinc/29/16/44/1115291644.db2.gz PKEDNHFTIAHSAI-INIZCTEOSA-N -1 3 372.515 4.295 20 0 FIADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000574650195 1115427259 /nfs/dbraw/zinc/42/72/59/1115427259.db2.gz RBSPTSDBARDYGZ-SECBINFHSA-N -1 3 366.248 4.200 20 0 FIADHM CCCCOC(=O)Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[n-]1 ZINC000046703627 1115492958 /nfs/dbraw/zinc/49/29/58/1115492958.db2.gz XTAMKRXQZVLCQU-UHFFFAOYSA-N -1 3 370.474 4.154 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[C@H](C)C1 ZINC001212177520 1115531886 /nfs/dbraw/zinc/53/18/86/1115531886.db2.gz PQIAAJHJQGFUAO-SDDRHHMPSA-N -1 3 367.408 4.338 20 0 FIADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c1 ZINC000598202114 1115713750 /nfs/dbraw/zinc/71/37/50/1115713750.db2.gz ALCMXBHJSPWTPR-MRXNPFEDSA-N -1 3 367.445 4.176 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)c(C)c1 ZINC000598380708 1115723948 /nfs/dbraw/zinc/72/39/48/1115723948.db2.gz RKIGWWQZNKVARH-UHFFFAOYSA-N -1 3 374.506 4.185 20 0 FIADHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000230406217 1115926993 /nfs/dbraw/zinc/92/69/93/1115926993.db2.gz UVRHEIXYPSFTPB-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000606351662 1115935329 /nfs/dbraw/zinc/93/53/29/1115935329.db2.gz JANSPDDTIUNLQN-SNVBAGLBSA-N -1 3 352.203 4.111 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000606688953 1115964351 /nfs/dbraw/zinc/96/43/51/1115964351.db2.gz MJYXWFVNFIBUMT-CQSZACIVSA-N -1 3 369.223 4.325 20 0 FIADHM COc1ccc2cc(CN(C)C(=O)NCc3ccc([O-])c(F)c3)ccc2c1 ZINC000606714635 1115965666 /nfs/dbraw/zinc/96/56/66/1115965666.db2.gz PWQUMQRKGDVFSJ-UHFFFAOYSA-N -1 3 368.408 4.035 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)c1Cl ZINC000606909951 1115981941 /nfs/dbraw/zinc/98/19/41/1115981941.db2.gz GPVNOTBXDIVHAR-UHFFFAOYSA-N -1 3 374.264 4.409 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000533965469 1116063181 /nfs/dbraw/zinc/06/31/81/1116063181.db2.gz WKVCBOUXMBFMMS-UWVGGRQHSA-N -1 3 366.177 4.462 20 0 FIADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Sc1ccccc1 ZINC000607818773 1116067751 /nfs/dbraw/zinc/06/77/51/1116067751.db2.gz SOQBLMNZZLPABX-UHFFFAOYSA-N -1 3 373.441 4.270 20 0 FIADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Sc1ccccc1 ZINC000607818773 1116067753 /nfs/dbraw/zinc/06/77/53/1116067753.db2.gz SOQBLMNZZLPABX-UHFFFAOYSA-N -1 3 373.441 4.270 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc(C)c1F ZINC000608020455 1116078758 /nfs/dbraw/zinc/07/87/58/1116078758.db2.gz LFMJIFGRGWJJHK-HNNXBMFYSA-N -1 3 361.360 4.024 20 0 FIADHM O=c1[n-]c(S[C@H]2CCc3ccccc32)nc2c1cnn2-c1ccccc1 ZINC000608081010 1116081174 /nfs/dbraw/zinc/08/11/74/1116081174.db2.gz FNJRWMVEFHXDGD-KRWDZBQOSA-N -1 3 360.442 4.301 20 0 FIADHM CN(C(=O)c1c[n-]c2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 ZINC000608163356 1116085873 /nfs/dbraw/zinc/08/58/73/1116085873.db2.gz SXOSGRALBNNJFI-UHFFFAOYSA-N -1 3 354.409 4.472 20 0 FIADHM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(F)ccc3[O-])cc12 ZINC000533972054 1116096002 /nfs/dbraw/zinc/09/60/02/1116096002.db2.gz VNZYPDIOFBDHCA-UHFFFAOYSA-N -1 3 367.405 4.492 20 0 FIADHM O=C1c2ccccc2N[C@H](c2ccc([O-])c(F)c2)N1c1ccc(F)cc1 ZINC000534423967 1116199869 /nfs/dbraw/zinc/19/98/69/1116199869.db2.gz LQIQXVBPQFHLEG-IBGZPJMESA-N -1 3 352.340 4.442 20 0 FIADHM CN(C)[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1c(F)cccc1Cl ZINC000534727905 1116230409 /nfs/dbraw/zinc/23/04/09/1116230409.db2.gz AFXFTOPNHMXZPV-HNNXBMFYSA-N -1 3 357.212 4.080 20 0 FIADHM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1cccc([O-])c1F ZINC000534945013 1116254901 /nfs/dbraw/zinc/25/49/01/1116254901.db2.gz TXHKJABDIUPLKS-UHFFFAOYSA-N -1 3 362.813 4.489 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c1 ZINC000535107937 1116268472 /nfs/dbraw/zinc/26/84/72/1116268472.db2.gz VGLFEEFUHWCRTH-SFHVURJKSA-N -1 3 358.413 4.007 20 0 FIADHM C[C@@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1cccc(C(F)(F)F)c1 ZINC000535121033 1116271353 /nfs/dbraw/zinc/27/13/53/1116271353.db2.gz TYKYWAQGVHYWGR-LBPRGKRZSA-N -1 3 374.366 4.045 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)c1 ZINC000535134091 1116274834 /nfs/dbraw/zinc/27/48/34/1116274834.db2.gz MDSQISTYOLQHPM-ICSRJNTNSA-N -1 3 366.461 4.067 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)s1 ZINC000504376083 1116339641 /nfs/dbraw/zinc/33/96/41/1116339641.db2.gz DUWLHFICCJIHAQ-ZETCQYMHSA-N -1 3 360.660 4.361 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3csc(C)n3)cc2)o1 ZINC000540204846 1117932461 /nfs/dbraw/zinc/93/24/61/1117932461.db2.gz JITNDAXWADUVOT-LBPRGKRZSA-N -1 3 362.476 4.059 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@H]3C(C)C)cc2)cc1 ZINC000463229720 1118037691 /nfs/dbraw/zinc/03/76/91/1118037691.db2.gz DALZEEPQWPAAGL-OALUTQOASA-N -1 3 372.490 4.026 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1c(Cl)cc(F)cc1Cl ZINC000463296265 1118078484 /nfs/dbraw/zinc/07/84/84/1118078484.db2.gz CWERLLFRXSLRJA-UHFFFAOYSA-N -1 3 358.181 4.496 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC(C)(C)CC(F)F)c2)n1 ZINC000888264520 1118081324 /nfs/dbraw/zinc/08/13/24/1118081324.db2.gz VJECOZCSRLXODA-UHFFFAOYSA-N -1 3 363.408 4.422 20 0 FIADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000540623963 1118165522 /nfs/dbraw/zinc/16/55/22/1118165522.db2.gz KLFXSKPKFCOVFJ-UHFFFAOYSA-N -1 3 366.259 4.273 20 0 FIADHM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1ccc(Cl)cc1 ZINC000541306463 1118468739 /nfs/dbraw/zinc/46/87/39/1118468739.db2.gz AGXHMGQGNOASGG-UHFFFAOYSA-N -1 3 366.801 4.076 20 0 FIADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1c(C)c(C)ccc1Cl ZINC000509241749 1118577619 /nfs/dbraw/zinc/57/76/19/1118577619.db2.gz STSCOEBKGYGPQZ-UHFFFAOYSA-N -1 3 353.871 4.383 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[C@H](C)[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000541787098 1118646117 /nfs/dbraw/zinc/64/61/17/1118646117.db2.gz HPEJVCLGZKGOFB-GDZNZVCISA-N -1 3 354.454 4.104 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccn(Cc2ccccc2)c1 ZINC000541944359 1118710331 /nfs/dbraw/zinc/71/03/31/1118710331.db2.gz RJMFTYQSDVUYQB-UHFFFAOYSA-N -1 3 371.234 4.257 20 0 FIADHM CCc1cccc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)c1[O-] ZINC000669937038 1118975145 /nfs/dbraw/zinc/97/51/45/1118975145.db2.gz BYPSPVILAVBMLO-UHFFFAOYSA-N -1 3 366.339 4.098 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cncc(C(F)F)c2)s1 ZINC000913780397 1119000896 /nfs/dbraw/zinc/00/08/96/1119000896.db2.gz VAGLVCGJUPREBS-UHFFFAOYSA-N -1 3 370.381 4.075 20 0 FIADHM COc1ccc2nc([N-]C(=O)c3c(F)c(F)cc(F)c3F)sc2c1 ZINC000175586393 1119215151 /nfs/dbraw/zinc/21/51/51/1119215151.db2.gz GADVXBICVRPUJK-UHFFFAOYSA-N -1 3 356.300 4.114 20 0 FIADHM O=C([N-]c1cc(Br)ccc1F)c1c(F)c(F)cc(F)c1F ZINC000177747593 1119348905 /nfs/dbraw/zinc/34/89/05/1119348905.db2.gz DFPQQZLYQXOHMA-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM Cc1nn(C)c(C)c1[C@H](OC(=O)c1cc2ccsc2[n-]1)C(F)(F)F ZINC000761553944 1119418992 /nfs/dbraw/zinc/41/89/92/1119418992.db2.gz WNOZPMHBBPOFTO-LBPRGKRZSA-N -1 3 357.357 4.040 20 0 FIADHM C[C@@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1cnccn1 ZINC000185535900 1119670160 /nfs/dbraw/zinc/67/01/60/1119670160.db2.gz KACXEPBJBGPZKR-SNVBAGLBSA-N -1 3 370.459 4.029 20 0 FIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)c2ccccc12 ZINC000494372676 1119844326 /nfs/dbraw/zinc/84/43/26/1119844326.db2.gz ZYOYTLZVLCMQHH-UHFFFAOYSA-N -1 3 372.421 4.047 20 0 FIADHM Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)Nc1ncccc1[O-] ZINC000190174277 1119929892 /nfs/dbraw/zinc/92/98/92/1119929892.db2.gz MERPDYKPJNIKDY-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1scnc1C1CC1 ZINC000125368710 1120345169 /nfs/dbraw/zinc/34/51/69/1120345169.db2.gz PCTAVVVFLWDAQY-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1F ZINC000153511601 1120389880 /nfs/dbraw/zinc/38/98/80/1120389880.db2.gz DQQBGCQTJIFQDN-UHFFFAOYSA-N -1 3 364.804 4.422 20 0 FIADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Br)cc1Cl ZINC000229193150 1120471689 /nfs/dbraw/zinc/47/16/89/1120471689.db2.gz XNIHDNROTAYWDB-ONERCXAPSA-N -1 3 372.690 4.320 20 0 FIADHM Cc1ccc(C)c([C@@H]2CCCN2Cn2[n-]c(-c3ccccn3)nc2=S)c1 ZINC000761838169 1120530301 /nfs/dbraw/zinc/53/03/01/1120530301.db2.gz KBHGEGPCJNEABR-SFHVURJKSA-N -1 3 365.506 4.414 20 0 FIADHM FC(F)(F)[C@H]([N-]c1ncc2c(n1)-c1ccccc1OC2)c1ccccn1 ZINC001168481763 1120557290 /nfs/dbraw/zinc/55/72/90/1120557290.db2.gz RZEMPUSRVLHDCY-MRXNPFEDSA-N -1 3 358.323 4.147 20 0 FIADHM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccccc1OCC(F)F ZINC000761908020 1120575788 /nfs/dbraw/zinc/57/57/88/1120575788.db2.gz LAUQBPPGROTNLR-MDZDMXLPSA-N -1 3 373.808 4.397 20 0 FIADHM O=C(COC(=O)c1cc2ccsc2[n-]1)c1cccc(Br)c1 ZINC000914890902 1120628776 /nfs/dbraw/zinc/62/87/76/1120628776.db2.gz JRCJKUZWMRZEOX-UHFFFAOYSA-N -1 3 364.220 4.032 20 0 FIADHM O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1cc2ccsc2[n-]1 ZINC000914891733 1120629484 /nfs/dbraw/zinc/62/94/84/1120629484.db2.gz RUWNVKFKJVJBJT-UHFFFAOYSA-N -1 3 359.794 4.290 20 0 FIADHM O=C(OCc1cc(-c2ccc(F)cc2)no1)c1cc(Cl)c(Cl)[n-]1 ZINC000915385127 1120937226 /nfs/dbraw/zinc/93/72/26/1120937226.db2.gz UDGYTUVDTKJEBI-UHFFFAOYSA-N -1 3 355.152 4.473 20 0 FIADHM Cc1nc2c(s1)[C@@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)CCC2 ZINC001127367924 1120949964 /nfs/dbraw/zinc/94/99/64/1120949964.db2.gz WTHVMCGVHYCWMV-LBPRGKRZSA-N -1 3 371.840 4.094 20 0 FIADHM O=c1[n-]c(CN2CCC[C@@H]2c2cccc(F)c2)nc2c3ccccc3oc21 ZINC000053718226 1120952284 /nfs/dbraw/zinc/95/22/84/1120952284.db2.gz YRKIWDKYSLLVFJ-MRXNPFEDSA-N -1 3 363.392 4.146 20 0 FIADHM COc1cc(OC)c(NCc2cccc([O-])c2Br)cc1Cl ZINC000315803749 1120994592 /nfs/dbraw/zinc/99/45/92/1120994592.db2.gz DQDQPYDIISYWCW-UHFFFAOYSA-N -1 3 372.646 4.437 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cc(Cl)ccc1Cl ZINC000028317685 1121020103 /nfs/dbraw/zinc/02/01/03/1121020103.db2.gz KIHJLUSTYDVDGS-UHFFFAOYSA-N -1 3 356.683 4.187 20 0 FIADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000265600492 1121061434 /nfs/dbraw/zinc/06/14/34/1121061434.db2.gz DKEWZYQWQLDKNB-BTYIYWSLSA-N -1 3 367.493 4.040 20 0 FIADHM C[C@H](COc1ccc(F)cc1F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471870585 1121112382 /nfs/dbraw/zinc/11/23/82/1121112382.db2.gz NCTVWFXCCRFGMH-GFCCVEGCSA-N -1 3 357.356 4.021 20 0 FIADHM O=C(CCc1ccccc1Br)Nc1cc(Cl)ccc1[O-] ZINC000111211136 1121152128 /nfs/dbraw/zinc/15/21/28/1121152128.db2.gz KTNKXDIHFZPOGV-UHFFFAOYSA-N -1 3 354.631 4.379 20 0 FIADHM Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000472302863 1121207541 /nfs/dbraw/zinc/20/75/41/1121207541.db2.gz RCRRJMSJGOKTJG-UHFFFAOYSA-N -1 3 371.440 4.278 20 0 FIADHM Cc1cc(C)c(NC(=O)CCCSCc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000763207903 1121275830 /nfs/dbraw/zinc/27/58/30/1121275830.db2.gz FEMIXHUMBMHFHG-UHFFFAOYSA-N -1 3 359.495 4.068 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1ccccc1Cl ZINC000056099235 1121297592 /nfs/dbraw/zinc/29/75/92/1121297592.db2.gz XICFKUMQGUDGKT-SFHVURJKSA-N -1 3 352.821 4.159 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1nc2ccccc2n1C(F)F ZINC000916044580 1121390924 /nfs/dbraw/zinc/39/09/24/1121390924.db2.gz INWBFNZWSRNVNP-NSHDSACASA-N -1 3 365.330 4.401 20 0 FIADHM Cc1cccc(C2(CNC(=O)c3c[n-]c4ccccc4c3=O)CCCCC2)c1 ZINC000058399235 1121397688 /nfs/dbraw/zinc/39/76/88/1121397688.db2.gz CDNNQFVVSAOLPB-UHFFFAOYSA-N -1 3 374.484 4.468 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cc(C)ccc4o3)c2)n1 ZINC000058381167 1121398108 /nfs/dbraw/zinc/39/81/08/1121398108.db2.gz WZJIJDSJGMESGM-UHFFFAOYSA-N -1 3 373.412 4.306 20 0 FIADHM Cc1ccccc1-n1nc(C(=O)Nc2cc(Cl)ccc2[O-])c2c1CCC2 ZINC000060106727 1121458584 /nfs/dbraw/zinc/45/85/84/1121458584.db2.gz JHZLFPFZUNRTEU-UHFFFAOYSA-N -1 3 367.836 4.281 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N(CCc1ccccc1)C1CCCC1 ZINC000063668309 1121577229 /nfs/dbraw/zinc/57/72/29/1121577229.db2.gz BZVUGPJCEURYOX-UHFFFAOYSA-N -1 3 360.457 4.156 20 0 FIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000064492594 1121619085 /nfs/dbraw/zinc/61/90/85/1121619085.db2.gz LGVNABGQUKHWEF-UHFFFAOYSA-N -1 3 364.883 4.171 20 0 FIADHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(Oc2ccccc2)c1 ZINC000065770606 1121705111 /nfs/dbraw/zinc/70/51/11/1121705111.db2.gz SDWMPZAISJLXJI-UHFFFAOYSA-N -1 3 373.368 4.007 20 0 FIADHM CC(C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000066778129 1121756959 /nfs/dbraw/zinc/75/69/59/1121756959.db2.gz YDPNVTGYQLIAAT-UHFFFAOYSA-N -1 3 374.362 4.212 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2)n1 ZINC000064342485 1121757005 /nfs/dbraw/zinc/75/70/05/1121757005.db2.gz JSQGBCTTYYBCHE-UHFFFAOYSA-N -1 3 369.424 4.080 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1ccccc1F ZINC000125449646 1121779944 /nfs/dbraw/zinc/77/99/44/1121779944.db2.gz LCYVIWHPGDPYJS-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM CCOc1cc(CNc2ccc(NC(=O)OC)cc2)cc(Cl)c1[O-] ZINC000916844577 1121887353 /nfs/dbraw/zinc/88/73/53/1121887353.db2.gz NJYNOUSAXSZSRJ-UHFFFAOYSA-N -1 3 350.802 4.235 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(F)c(F)cc1Cl ZINC000126043489 1121915235 /nfs/dbraw/zinc/91/52/35/1121915235.db2.gz WPZDSZHYJBYKMJ-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126615191 1121969893 /nfs/dbraw/zinc/96/98/93/1121969893.db2.gz ZMARBLYFCOEAQN-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2csc(N(C)c3ccccc3)n2)s1 ZINC000624516340 1122019056 /nfs/dbraw/zinc/01/90/56/1122019056.db2.gz NOGMXGUHODCCAO-UHFFFAOYSA-N -1 3 359.480 4.138 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]3c3ccc(F)cc3F)nc2)n1 ZINC000624685281 1122102099 /nfs/dbraw/zinc/10/20/99/1122102099.db2.gz ZTUDSEKEPDKDGF-DOTOQJQBSA-N -1 3 368.387 4.053 20 0 FIADHM O=C(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)OC1CCCCC1 ZINC000917261457 1122245286 /nfs/dbraw/zinc/24/52/86/1122245286.db2.gz TXHRPXLIGALGCC-UHFFFAOYSA-N -1 3 368.458 4.482 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c2ccccc12 ZINC000055554905 1122252525 /nfs/dbraw/zinc/25/25/25/1122252525.db2.gz BKXIMXFBDQTESQ-UHFFFAOYSA-N -1 3 367.348 4.067 20 0 FIADHM CC(C)(C)c1nnc([N-]C(=O)c2csc(Cc3ccccc3)n2)s1 ZINC000055977124 1122285046 /nfs/dbraw/zinc/28/50/46/1122285046.db2.gz ZNLRAJCTURVCNL-UHFFFAOYSA-N -1 3 358.492 4.135 20 0 FIADHM O=S(=O)([N-][C@@H]1CCC[C@H](C2CC2)C1)c1csc(-c2ccccc2)n1 ZINC001212229079 1122372719 /nfs/dbraw/zinc/37/27/19/1122372719.db2.gz HTGOXLIMCCAUNK-JKSUJKDBSA-N -1 3 362.520 4.057 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000129122681 1122538285 /nfs/dbraw/zinc/53/82/85/1122538285.db2.gz FRSSVQDXTDAZOB-VXGBXAGGSA-N -1 3 350.187 4.036 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000918164077 1122579344 /nfs/dbraw/zinc/57/93/44/1122579344.db2.gz WUZUKSCWXCRJGE-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc([O-])c1F ZINC000129380323 1122582005 /nfs/dbraw/zinc/58/20/05/1122582005.db2.gz KKHWRKMFCBSSFS-UHFFFAOYSA-N -1 3 373.815 4.299 20 0 FIADHM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000129437767 1122601698 /nfs/dbraw/zinc/60/16/98/1122601698.db2.gz XNZBRLFDCXACAF-UHFFFAOYSA-N -1 3 355.825 4.029 20 0 FIADHM CCOc1ccc(-c2nc(C(=O)Nc3cccc([O-])c3F)cs2)cc1 ZINC000129492920 1122613881 /nfs/dbraw/zinc/61/38/81/1122613881.db2.gz WOFDFQLZPMFZKR-UHFFFAOYSA-N -1 3 358.394 4.306 20 0 FIADHM CC(C)(C)c1cnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)o1 ZINC000130002600 1122721683 /nfs/dbraw/zinc/72/16/83/1122721683.db2.gz KYJRMKNQGILMJY-UHFFFAOYSA-N -1 3 355.419 4.247 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)[n-]1 ZINC000498419342 1122787516 /nfs/dbraw/zinc/78/75/16/1122787516.db2.gz JAOPAOBUMUTJCP-UHFFFAOYSA-N -1 3 371.343 4.075 20 0 FIADHM CO[C@H](C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000919317980 1122947815 /nfs/dbraw/zinc/94/78/15/1122947815.db2.gz LYKKZUVVTMWHCV-ABAIWWIYSA-N -1 3 372.446 4.006 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3cc(F)cc4cccnc43)n[n-]2)o1 ZINC000919329566 1122953232 /nfs/dbraw/zinc/95/32/32/1122953232.db2.gz QDQPJJDUUVAOMD-UHFFFAOYSA-N -1 3 351.337 4.022 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3cc(F)cc4cccnc43)[n-]n2)o1 ZINC000919329566 1122953236 /nfs/dbraw/zinc/95/32/36/1122953236.db2.gz QDQPJJDUUVAOMD-UHFFFAOYSA-N -1 3 351.337 4.022 20 0 FIADHM [O-]c1ccc(F)c(CNc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1F ZINC000556876761 1123147635 /nfs/dbraw/zinc/14/76/35/1123147635.db2.gz DOCNQATWKSSGTH-UHFFFAOYSA-N -1 3 369.293 4.487 20 0 FIADHM CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000556929019 1123234287 /nfs/dbraw/zinc/23/42/87/1123234287.db2.gz RQXDNXFBUAXRJP-UHFFFAOYSA-N -1 3 373.758 4.259 20 0 FIADHM Cc1ccc(-c2nsc([N-]C(=O)c3cnc(C(C)C)s3)n2)s1 ZINC000132360364 1123246767 /nfs/dbraw/zinc/24/67/67/1123246767.db2.gz RGVFDCOMPDHJSJ-UHFFFAOYSA-N -1 3 350.494 4.407 20 0 FIADHM CCc1ccc(CN(CC(C)C)C(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000649227394 1123301545 /nfs/dbraw/zinc/30/15/45/1123301545.db2.gz QXOSWWUGVCBEIY-UHFFFAOYSA-N -1 3 362.473 4.389 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 ZINC000132848757 1123369675 /nfs/dbraw/zinc/36/96/75/1123369675.db2.gz JVAOVUWOHQINOG-UHFFFAOYSA-N -1 3 364.401 4.361 20 0 FIADHM CCC/C(C)=C/C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000920288467 1123439697 /nfs/dbraw/zinc/43/96/97/1123439697.db2.gz WFHKLAWDNYYHAT-JQIJEIRASA-N -1 3 372.490 4.481 20 0 FIADHM O=C([N-]Cc1nc2ccccc2s1)C(F)(F)c1cccc(Cl)c1 ZINC000921001269 1123546328 /nfs/dbraw/zinc/54/63/28/1123546328.db2.gz STHPANXCLMGSSA-UHFFFAOYSA-N -1 3 352.793 4.358 20 0 FIADHM O=C(Nc1cccnc1)c1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000921034138 1123551957 /nfs/dbraw/zinc/55/19/57/1123551957.db2.gz KLSPIFROOOHUKR-UHFFFAOYSA-N -1 3 363.398 4.096 20 0 FIADHM O=C(CCCc1nc2ccccc2[nH]1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134189051 1123602981 /nfs/dbraw/zinc/60/29/81/1123602981.db2.gz CPFIHEZRJYOFGZ-UHFFFAOYSA-N -1 3 363.339 4.249 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(Cl)nc1Cl ZINC000180324229 1124293538 /nfs/dbraw/zinc/29/35/38/1124293538.db2.gz KZXGTYUTQNYNLH-UHFFFAOYSA-N -1 3 357.247 4.221 20 0 FIADHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000303862114 1124505885 /nfs/dbraw/zinc/50/58/85/1124505885.db2.gz WRIRSQVFTGAOEU-OAHLLOKOSA-N -1 3 365.404 4.282 20 0 FIADHM O=S(=O)([N-]Cc1ccc2occc2c1)c1cnc(-c2ccccc2)s1 ZINC001212435083 1124545960 /nfs/dbraw/zinc/54/59/60/1124545960.db2.gz FGUCWXXGMZNGMT-UHFFFAOYSA-N -1 3 370.455 4.035 20 0 FIADHM O=C([O-])c1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000656100191 1124581068 /nfs/dbraw/zinc/58/10/68/1124581068.db2.gz GLZGOCSXYWUURK-UHFFFAOYSA-N -1 3 351.324 4.062 20 0 FIADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000085590685 1124732639 /nfs/dbraw/zinc/73/26/39/1124732639.db2.gz DVXOAMFRARWAGS-LLVKDONJSA-N -1 3 364.239 4.296 20 0 FIADHM COC[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccc(F)c(F)c1 ZINC000181427202 1124918394 /nfs/dbraw/zinc/91/83/94/1124918394.db2.gz FGAZULBFYKRWFA-KRWDZBQOSA-N -1 3 369.795 4.004 20 0 FIADHM CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000007886579 1124939757 /nfs/dbraw/zinc/93/97/57/1124939757.db2.gz WNXSHSFAXVETIS-GOSISDBHSA-N -1 3 360.841 4.421 20 0 FIADHM O=C([N-]c1csc(-c2ccccc2)n1)c1ncc(Br)s1 ZINC000672331788 1125019121 /nfs/dbraw/zinc/01/91/21/1125019121.db2.gz QYTGGOZFOWAZIS-UHFFFAOYSA-N -1 3 366.265 4.281 20 0 FIADHM CCN(CC)C(=O)c1ccc(Nc2nc3c(cccc3[O-])s2)c(OC)c1 ZINC001212459649 1125143886 /nfs/dbraw/zinc/14/38/86/1125143886.db2.gz JUOGUKUTPCWFRW-UHFFFAOYSA-N -1 3 371.462 4.236 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1OC(F)F ZINC001127662300 1125178229 /nfs/dbraw/zinc/17/82/29/1125178229.db2.gz SGNIXLKOKIVISU-JTQLQIEISA-N -1 3 359.294 4.396 20 0 FIADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182147350 1125263073 /nfs/dbraw/zinc/26/30/73/1125263073.db2.gz QDWLDBXVMDNHQG-UHFFFAOYSA-N -1 3 367.887 4.029 20 0 FIADHM CCOC(=O)c1c(Nc2cc(F)cc(F)c2[O-])sc2c1CCCC2=O ZINC001212478086 1125282301 /nfs/dbraw/zinc/28/23/01/1125282301.db2.gz TYUMPVKPNXOSRC-UHFFFAOYSA-N -1 3 367.373 4.171 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC/C=C/c3ccccc3)cc2)n1 ZINC000078089377 1125328756 /nfs/dbraw/zinc/32/87/56/1125328756.db2.gz QDABRFYRKSQJSP-WEVVVXLNSA-N -1 3 359.429 4.177 20 0 FIADHM C[C@@H](Sc1ncccn1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000006291877 210088100 /nfs/dbraw/zinc/08/81/00/210088100.db2.gz UMVAXNVJXWTTIG-SECBINFHSA-N -1 3 372.500 4.356 20 0 FIADHM O=S(=O)([N-][C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1F ZINC000071795407 221375924 /nfs/dbraw/zinc/37/59/24/221375924.db2.gz JSFHNRAXRUZKCH-INIZCTEOSA-N -1 3 357.809 4.048 20 0 FIADHM Cc1ccc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1C ZINC000051468129 567979625 /nfs/dbraw/zinc/97/96/25/567979625.db2.gz SXHIMYNUXKVLPM-GHTZIAJQSA-N -1 3 353.462 4.249 20 0 FIADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000522758092 568053150 /nfs/dbraw/zinc/05/31/50/568053150.db2.gz GUUOSZNZJKVNGX-CYBMUJFWSA-N -1 3 360.287 4.119 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000522759411 568059597 /nfs/dbraw/zinc/05/95/97/568059597.db2.gz MTVLIKQZGLFVBK-UHFFFAOYSA-N -1 3 363.461 4.050 20 0 FIADHM O=C1[C@@H]([N-]c2nc3ccccc3o2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000603705908 568140714 /nfs/dbraw/zinc/14/07/14/568140714.db2.gz OAMAKLQELMETLW-AWEZNQCLSA-N -1 3 361.323 4.064 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1cc2sc(=Nc3ccccc3)[nH]c2s1 ZINC000522784114 568187184 /nfs/dbraw/zinc/18/71/84/568187184.db2.gz PVHXRWZBDCGTSS-UHFFFAOYSA-N -1 3 370.459 4.380 20 0 FIADHM CCCCc1nnc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)s1 ZINC000023364464 568281011 /nfs/dbraw/zinc/28/10/11/568281011.db2.gz RHFZZWPWHALLJY-UHFFFAOYSA-N -1 3 361.858 4.177 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)Cc2ccc(Br)cc2)c1[O-] ZINC000604901798 568385001 /nfs/dbraw/zinc/38/50/01/568385001.db2.gz ONNLFGXODIAQMP-UHFFFAOYSA-N -1 3 354.631 4.298 20 0 FIADHM FC(F)(F)c1ccc(OCCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000604932944 568395268 /nfs/dbraw/zinc/39/52/68/568395268.db2.gz FFVBKCXZVQEIST-UHFFFAOYSA-N -1 3 366.368 4.057 20 0 FIADHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cc2cc(F)ccc2o1 ZINC000605092182 568562054 /nfs/dbraw/zinc/56/20/54/568562054.db2.gz BKKOCOZODQPITD-UHFFFAOYSA-N -1 3 371.368 4.406 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c1Cl ZINC000605164217 568592835 /nfs/dbraw/zinc/59/28/35/568592835.db2.gz QHRKQIPRTVCCJI-GFCCVEGCSA-N -1 3 374.314 4.427 20 0 FIADHM O=C(C[C@H]1CCOc2ccccc21)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000605180104 568604889 /nfs/dbraw/zinc/60/48/89/568604889.db2.gz IVDZVFIBWCKNEH-CYBMUJFWSA-N -1 3 367.836 4.047 20 0 FIADHM O=C1CCc2ccc(Nc3cc(F)cc(F)c3[O-])c(Br)c21 ZINC001212491084 1125506010 /nfs/dbraw/zinc/50/60/10/1125506010.db2.gz HMSHHHMDHJAUPT-UHFFFAOYSA-N -1 3 354.150 4.305 20 0 FIADHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccc(Cl)n1 ZINC000182771003 1125617916 /nfs/dbraw/zinc/61/79/16/1125617916.db2.gz LWRGXUVMRKYTNP-SECBINFHSA-N -1 3 368.607 4.003 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000619929086 1125732495 /nfs/dbraw/zinc/73/24/95/1125732495.db2.gz WVQGEAMSTDYSRD-BBRMVZONSA-N -1 3 354.454 4.105 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000654806290 1079634413 /nfs/dbraw/zinc/63/44/13/1079634413.db2.gz MYAPYEMTCNNHJS-QGZVFWFLSA-N -1 3 371.868 4.471 20 0 FIADHM CC(=O)c1cccc(NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1[O-] ZINC000579766001 1079639450 /nfs/dbraw/zinc/63/94/50/1079639450.db2.gz FUXNUERAGBFIGD-UHFFFAOYSA-N -1 3 370.405 4.039 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(Cl)cc1F ZINC000471119557 1079730779 /nfs/dbraw/zinc/73/07/79/1079730779.db2.gz WHDRLTGMIKTCBV-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM O=C(Nc1cccc([O-])c1F)C1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000654970644 1079785168 /nfs/dbraw/zinc/78/51/68/1079785168.db2.gz AZIYLOMEZIWBKP-UHFFFAOYSA-N -1 3 369.314 4.490 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1OC ZINC000683170256 1079794470 /nfs/dbraw/zinc/79/44/70/1079794470.db2.gz GDYSKGVKQDVEQD-YWZLYKJASA-N -1 3 357.450 4.096 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)s1)c1cccc(Br)c1 ZINC000683173144 1079804732 /nfs/dbraw/zinc/80/47/32/1079804732.db2.gz FEYJWPGMXPPGPQ-LBPRGKRZSA-N -1 3 360.660 4.080 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)s1)c1cccc(Br)c1 ZINC000683173143 1079804982 /nfs/dbraw/zinc/80/49/82/1079804982.db2.gz FEYJWPGMXPPGPQ-GFCCVEGCSA-N -1 3 360.660 4.080 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C(F)(F)F)c2)cc1 ZINC000683172312 1079807137 /nfs/dbraw/zinc/80/71/37/1079807137.db2.gz WSXWMAGSODGIHC-MRXNPFEDSA-N -1 3 353.340 4.020 20 0 FIADHM CCCOc1c(Cl)cc(CNCc2cccc(C(=O)[O-])c2)cc1OC ZINC000683176926 1079827209 /nfs/dbraw/zinc/82/72/09/1079827209.db2.gz XGKIPSAEXCYMHU-UHFFFAOYSA-N -1 3 363.841 4.125 20 0 FIADHM CCC1(CC)CCc2nc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)sc2C1 ZINC000655158958 1080054909 /nfs/dbraw/zinc/05/49/09/1080054909.db2.gz XETUOKVWLUOCFC-UHFFFAOYSA-N -1 3 372.494 4.064 20 0 FIADHM COc1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1[O-] ZINC000179449782 1080175965 /nfs/dbraw/zinc/17/59/65/1080175965.db2.gz NIYSMLUUOQILTK-HNNXBMFYSA-N -1 3 361.825 4.040 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2cnc(-c3cccnc3)s2)c1F ZINC000535609409 1080176430 /nfs/dbraw/zinc/17/64/30/1080176430.db2.gz OGAIYFLKXPISNU-UHFFFAOYSA-N -1 3 361.373 4.134 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1ccc(OCC2CCCCC2)cc1 ZINC000471253880 1080596557 /nfs/dbraw/zinc/59/65/57/1080596557.db2.gz ZJJRWPQOSUIJMB-UHFFFAOYSA-N -1 3 355.438 4.068 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1coc(C2CCCC2)n1 ZINC000547780972 1080598829 /nfs/dbraw/zinc/59/88/29/1080598829.db2.gz ULJAJQLTWFQNSU-UHFFFAOYSA-N -1 3 357.801 4.023 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](c1ccco1)c1ccccc1 ZINC000471262328 1080645173 /nfs/dbraw/zinc/64/51/73/1080645173.db2.gz VTSSAMINIDRVAV-OAQYLSRUSA-N -1 3 353.393 4.353 20 0 FIADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc2c1CCCC2 ZINC000748096793 1080668600 /nfs/dbraw/zinc/66/86/00/1080668600.db2.gz XMTRRJCKOZTINM-UHFFFAOYSA-N -1 3 374.481 4.106 20 0 FIADHM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001625859659 1080711665 /nfs/dbraw/zinc/71/16/65/1080711665.db2.gz LZXZWRIZAABKIS-VGOFRKELSA-N -1 3 367.489 4.308 20 0 FIADHM O=C(NCc1cccc(OC(F)(F)F)c1)c1cc([O-])c2ccccc2c1 ZINC001648799045 1080895178 /nfs/dbraw/zinc/89/51/78/1080895178.db2.gz TWBOZNWJQDDZMV-UHFFFAOYSA-N -1 3 361.319 4.374 20 0 FIADHM CCCCC1CCC(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)CC1 ZINC001266467390 1080931468 /nfs/dbraw/zinc/93/14/68/1080931468.db2.gz QBJMIUGAAQBQFE-UHFFFAOYSA-N -1 3 357.454 4.285 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(-c2cccc(O)c2)cs1 ZINC000471310193 1080947793 /nfs/dbraw/zinc/94/77/93/1080947793.db2.gz MGKZXHIXUQMWRD-UHFFFAOYSA-N -1 3 372.421 4.322 20 0 FIADHM Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1C1CC1 ZINC000547861863 1080988673 /nfs/dbraw/zinc/98/86/73/1080988673.db2.gz LNXUAKBCMRRGNR-UHFFFAOYSA-N -1 3 350.393 4.414 20 0 FIADHM CSc1ccc(-c2nsc([N-]C(=O)c3nc(C)c(C)s3)n2)cc1 ZINC000683557664 1081092631 /nfs/dbraw/zinc/09/26/31/1081092631.db2.gz XYFNDEIPGUKBDQ-UHFFFAOYSA-N -1 3 362.505 4.253 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@H](C4CC4)C3)cc2)cc(=O)[n-]1 ZINC000580063050 1081567656 /nfs/dbraw/zinc/56/76/56/1081567656.db2.gz CIEXSUYHXCLPSW-FUHWJXTLSA-N -1 3 366.465 4.248 20 0 FIADHM C[C@@]12CCN(Cc3c(C(=O)[O-])sc4cccc(F)c43)C[C@@H]1C2(F)F ZINC000580097276 1081586944 /nfs/dbraw/zinc/58/69/44/1081586944.db2.gz GZXIDAILTNERTH-BLLLJJGKSA-N -1 3 355.381 4.216 20 0 FIADHM CCc1csc(CC2CCN(Cc3cc(C(=O)[O-])oc3CC)CC2)n1 ZINC000656191318 1081896939 /nfs/dbraw/zinc/89/69/39/1081896939.db2.gz RPXWHJKDBASMDD-UHFFFAOYSA-N -1 3 362.495 4.014 20 0 FIADHM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1cc([O-])ccc1Cl ZINC000580471443 1081961827 /nfs/dbraw/zinc/96/18/27/1081961827.db2.gz SBRDSFDANJRVHS-UHFFFAOYSA-N -1 3 364.792 4.236 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@@H]1c1ccccc1 ZINC000580561141 1082017658 /nfs/dbraw/zinc/01/76/58/1082017658.db2.gz MTIPREACRMJNSE-HZPDHXFCSA-N -1 3 350.245 4.294 20 0 FIADHM Cc1occc1[N-]c1nc2c(Br)ccc(C(F)(F)F)n2n1 ZINC001211238711 1082051176 /nfs/dbraw/zinc/05/11/76/1082051176.db2.gz FVYXTDXJPHJVPX-UHFFFAOYSA-N -1 3 361.121 4.156 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(Cc2ccccc2)n1 ZINC000048137045 1082176275 /nfs/dbraw/zinc/17/62/75/1082176275.db2.gz UBSATUMCPGUCMG-UHFFFAOYSA-N -1 3 368.443 4.098 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000580961323 1082253387 /nfs/dbraw/zinc/25/33/87/1082253387.db2.gz PMASQPPDJFILQI-UHFFFAOYSA-N -1 3 369.440 4.174 20 0 FIADHM O=C(Cc1cccc2ccccc21)[N-]OCc1noc(C2CCCCC2)n1 ZINC000160853563 1082463125 /nfs/dbraw/zinc/46/31/25/1082463125.db2.gz DXONSCOBTCIDLT-UHFFFAOYSA-N -1 3 365.433 4.061 20 0 FIADHM O=C([O-])[C@@H](CCc1ccc(C(F)(F)F)cc1)NCc1c(F)cccc1F ZINC000656568448 1082591157 /nfs/dbraw/zinc/59/11/57/1082591157.db2.gz GPNOMGPYCODXMZ-MRXNPFEDSA-N -1 3 373.321 4.159 20 0 FIADHM O=C([O-])[C@H](CCc1ccc(C(F)(F)F)cc1)NCc1c(F)cccc1F ZINC000656568447 1082591506 /nfs/dbraw/zinc/59/15/06/1082591506.db2.gz GPNOMGPYCODXMZ-INIZCTEOSA-N -1 3 373.321 4.159 20 0 FIADHM CCn1nccc1CN[C@H](c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000656569900 1082594558 /nfs/dbraw/zinc/59/45/58/1082594558.db2.gz KROSJMMKUGDWDD-OAHLLOKOSA-N -1 3 370.280 4.152 20 0 FIADHM CCc1cc2c(CN3CCc4cccc(F)c4[C@@H]3C)cc(=O)oc2cc1[O-] ZINC001167473912 1082710366 /nfs/dbraw/zinc/71/03/66/1082710366.db2.gz NFMWRAOYFPBDCT-ZDUSSCGKSA-N -1 3 367.420 4.319 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1c(Cl)cncc1Cl ZINC000581644536 1082743348 /nfs/dbraw/zinc/74/33/48/1082743348.db2.gz NHWYLMVIFLBEGH-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM COC(=O)c1cc2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc2o1 ZINC000471746116 1082941899 /nfs/dbraw/zinc/94/18/99/1082941899.db2.gz BPVGYCFTIPIHPJ-UHFFFAOYSA-N -1 3 361.353 4.331 20 0 FIADHM Cc1nc(-c2ccc(N3CCc4cccc(Cl)c4C3)nc2)[n-]c(=O)c1C ZINC000413417945 1083027290 /nfs/dbraw/zinc/02/72/90/1083027290.db2.gz QNSLDEQHVXUIOM-UHFFFAOYSA-N -1 3 366.852 4.077 20 0 FIADHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccccc1Oc1ccccc1 ZINC000471836463 1083086188 /nfs/dbraw/zinc/08/61/88/1083086188.db2.gz QJGVFJOHWDEJCN-OAHLLOKOSA-N -1 3 363.417 4.140 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cnc2ccccc2c1C(F)(F)F ZINC000535658358 1083291241 /nfs/dbraw/zinc/29/12/41/1083291241.db2.gz OGDODJUOKOYRDN-UHFFFAOYSA-N -1 3 350.271 4.351 20 0 FIADHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)CC(C)(C)C ZINC001211526073 1083323471 /nfs/dbraw/zinc/32/34/71/1083323471.db2.gz OUVQTIUTKJVHIQ-JTQLQIEISA-N -1 3 368.362 4.251 20 0 FIADHM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc(Cl)cc(Cl)c1 ZINC000431141555 1083350171 /nfs/dbraw/zinc/35/01/71/1083350171.db2.gz WSXHPXATKIVBQR-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471948562 1083391999 /nfs/dbraw/zinc/39/19/99/1083391999.db2.gz MEMMZNDYWBREFN-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM Cc1cc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c(C)[nH]1 ZINC000023449188 1083445551 /nfs/dbraw/zinc/44/55/51/1083445551.db2.gz DACNXHAIZULLJP-UHFFFAOYSA-N -1 3 362.455 4.341 20 0 FIADHM CCc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c1[O-] ZINC000535737122 1083611118 /nfs/dbraw/zinc/61/11/18/1083611118.db2.gz USYZAPUZFBOIFO-LLVKDONJSA-N -1 3 359.376 4.190 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c1 ZINC000612309491 1083709610 /nfs/dbraw/zinc/70/96/10/1083709610.db2.gz IZLCKXQMXPGJSP-CQSZACIVSA-N -1 3 373.474 4.365 20 0 FIADHM CCOc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1OC(F)F ZINC000277085048 1083737497 /nfs/dbraw/zinc/73/74/97/1083737497.db2.gz XAMFHGGHVDRBNE-CYBMUJFWSA-N -1 3 371.405 4.054 20 0 FIADHM CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000015501174 1083994001 /nfs/dbraw/zinc/99/40/01/1083994001.db2.gz YUAKIISAIZNKDT-UHFFFAOYSA-N -1 3 373.261 4.143 20 0 FIADHM O=C(/C=C\Sc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000255431204 1083994463 /nfs/dbraw/zinc/99/44/63/1083994463.db2.gz XXQNWGCFVQWOND-HJWRWDBZSA-N -1 3 364.264 4.077 20 0 FIADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccc2c(c1)CCCO2 ZINC001167509696 1084327103 /nfs/dbraw/zinc/32/71/03/1084327103.db2.gz SMPLCFRVZTXTKX-LBPRGKRZSA-N -1 3 353.443 4.423 20 0 FIADHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001211639019 1084488145 /nfs/dbraw/zinc/48/81/45/1084488145.db2.gz SWABZAXTKOINMI-YPMHNXCESA-N -1 3 370.927 4.178 20 0 FIADHM Cc1ccc(-c2cncc(F)c2)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000582051553 1084518610 /nfs/dbraw/zinc/51/86/10/1084518610.db2.gz HMPMIUGTJYLVMS-UHFFFAOYSA-N -1 3 350.397 4.181 20 0 FIADHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc2cc(F)ccc2o1 ZINC000255166008 1084602579 /nfs/dbraw/zinc/60/25/79/1084602579.db2.gz PWVVSWJUXQTULL-XQRVVYSFSA-N -1 3 355.350 4.439 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)(c3nc4ccccc4s3)CC2)n1 ZINC000511072452 1084608864 /nfs/dbraw/zinc/60/88/64/1084608864.db2.gz LAXHMAXCYYZZNR-CQSZACIVSA-N -1 3 368.506 4.215 20 0 FIADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000563283012 1084766588 /nfs/dbraw/zinc/76/65/88/1084766588.db2.gz LYZLGQVQJDKCBU-NXEZZACHSA-N -1 3 374.384 4.394 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1nc2ccccc2s1 ZINC000755947659 1084856581 /nfs/dbraw/zinc/85/65/81/1084856581.db2.gz AMWIMAXVJLLUDT-SECBINFHSA-N -1 3 370.858 4.128 20 0 FIADHM Cc1csc([C@@H]2CCCN(C(=O)c3cc([O-])c4ccccc4c3)C2)n1 ZINC000329981989 1084859388 /nfs/dbraw/zinc/85/93/88/1084859388.db2.gz OHXUGKAUYHQYOZ-OAHLLOKOSA-N -1 3 352.459 4.330 20 0 FIADHM Cc1ccc(CS(=O)(=O)[N-]c2cnccc2-c2ccccc2)c(F)c1 ZINC000582340195 1084888637 /nfs/dbraw/zinc/88/86/37/1084888637.db2.gz YOIAHUAKDSMNNH-UHFFFAOYSA-N -1 3 356.422 4.138 20 0 FIADHM Cc1ccc2oc(C(=O)[N-]c3c(F)cc(Br)cc3F)cc2n1 ZINC000175255779 1084909700 /nfs/dbraw/zinc/90/97/00/1084909700.db2.gz SKGMUCWAIWVIHZ-UHFFFAOYSA-N -1 3 367.149 4.429 20 0 FIADHM CC(=O)c1csc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000134257369 1085033717 /nfs/dbraw/zinc/03/37/17/1085033717.db2.gz NPWJSNLJFOWGDN-UHFFFAOYSA-N -1 3 363.851 4.375 20 0 FIADHM CC[C@@H](c1nnc(S[C@H](C)c2nc(C)cc(=O)[n-]2)o1)c1ccccc1 ZINC000159156558 1085097985 /nfs/dbraw/zinc/09/79/85/1085097985.db2.gz XLXDALMQZBQZOU-TZMCWYRMSA-N -1 3 356.451 4.269 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCC2CC2)cc1 ZINC000115038105 1085244523 /nfs/dbraw/zinc/24/45/23/1085244523.db2.gz SENLGIYDBQSHTH-UHFFFAOYSA-N -1 3 372.490 4.233 20 0 FIADHM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC001211554605 1085443791 /nfs/dbraw/zinc/44/37/91/1085443791.db2.gz BBAMKTFAVMIICS-GFCCVEGCSA-N -1 3 373.902 4.247 20 0 FIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1c(Cl)cc(F)cc1Cl ZINC000431477877 1085458644 /nfs/dbraw/zinc/45/86/44/1085458644.db2.gz NJVJZIPCDCQPOC-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000326882643 1085463833 /nfs/dbraw/zinc/46/38/33/1085463833.db2.gz AXIIAJNMLOGVNM-CQSZACIVSA-N -1 3 362.857 4.318 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(-c2cccc(Cl)c2)c1 ZINC000582802434 1085734832 /nfs/dbraw/zinc/73/48/32/1085734832.db2.gz AIERPKIORRIIIW-CQSZACIVSA-N -1 3 368.742 4.384 20 0 FIADHM CC(C)COc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000582836882 1085806346 /nfs/dbraw/zinc/80/63/46/1085806346.db2.gz RYHOPRPWHGEYOI-UHFFFAOYSA-N -1 3 361.829 4.000 20 0 FIADHM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000511906767 1085941714 /nfs/dbraw/zinc/94/17/14/1085941714.db2.gz KMHYERWEQNHMRP-LLVKDONJSA-N -1 3 362.303 4.329 20 0 FIADHM O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1cc(Cl)ccc1Cl ZINC000511926471 1085991748 /nfs/dbraw/zinc/99/17/48/1085991748.db2.gz IUMKUQDBDJSPAK-CQSZACIVSA-N -1 3 360.237 4.098 20 0 FIADHM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000652446897 1086065127 /nfs/dbraw/zinc/06/51/27/1086065127.db2.gz DZFWEMIBKQULDH-WNJKXWAASA-N -1 3 363.885 4.135 20 0 FIADHM CC[C@@H](OCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000652474588 1086092580 /nfs/dbraw/zinc/09/25/80/1086092580.db2.gz OWYFRZJYJNMUJO-LJQANCHMSA-N -1 3 363.404 4.019 20 0 FIADHM CC(C)N(CCC(=O)[O-])Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000652478784 1086098293 /nfs/dbraw/zinc/09/82/93/1086098293.db2.gz XQTFGJYISIVNME-UHFFFAOYSA-N -1 3 356.344 4.046 20 0 FIADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc(-c3ccccc3Cl)on2)C1 ZINC000652498782 1086134164 /nfs/dbraw/zinc/13/41/64/1086134164.db2.gz SMRRVLUVKSWGBC-ZDUSSCGKSA-N -1 3 362.857 4.318 20 0 FIADHM O=C([O-])c1cccc(CCNCc2ccc(Cl)cc2Br)c1 ZINC000426713807 1086219227 /nfs/dbraw/zinc/21/92/27/1086219227.db2.gz KDYSSVNXTLONGL-UHFFFAOYSA-N -1 3 368.658 4.133 20 0 FIADHM Cc1cccnc1[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(C)C ZINC001126200831 1086239665 /nfs/dbraw/zinc/23/96/65/1086239665.db2.gz WSVWZZUVEHUXOJ-OAHLLOKOSA-N -1 3 354.347 4.274 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@H](C)COC)cc2)CC)n1 ZINC000663227969 1086258905 /nfs/dbraw/zinc/25/89/05/1086258905.db2.gz PFMJJANIEHXOAG-UHVIJJLKSA-N -1 3 356.466 4.087 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@H](C)COC)cc2)CC)n1 ZINC000663227971 1086259756 /nfs/dbraw/zinc/25/97/56/1086259756.db2.gz PFMJJANIEHXOAG-YHZJOHHESA-N -1 3 356.466 4.087 20 0 FIADHM O=C([O-])CC[C@@H](CNCc1ccc(-c2ccccc2F)o1)C(F)(F)F ZINC000663262129 1086341678 /nfs/dbraw/zinc/34/16/78/1086341678.db2.gz PQRFPWLZDJAZHI-NSHDSACASA-N -1 3 359.319 4.219 20 0 FIADHM Cc1coc(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000188436012 1086351066 /nfs/dbraw/zinc/35/10/66/1086351066.db2.gz OQDWTWMPIHLCEC-VIFPVBQESA-N -1 3 359.432 4.394 20 0 FIADHM COc1ccc(-c2nc(Cc3noc(-c4ccc(C)cc4[O-])n3)co2)cc1 ZINC000184839271 1086362237 /nfs/dbraw/zinc/36/22/37/1086362237.db2.gz FYROMXLNBNYBQI-UHFFFAOYSA-N -1 3 363.373 4.005 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ncc(-c2ccccc2)o1 ZINC000150819930 1086377122 /nfs/dbraw/zinc/37/71/22/1086377122.db2.gz BTRVSKZXXUJKHA-ZDUSSCGKSA-N -1 3 368.414 4.127 20 0 FIADHM [O-]c1c(F)cc(Nc2ccc(I)c(F)c2)cc1F ZINC001213379353 1086389564 /nfs/dbraw/zinc/38/95/64/1086389564.db2.gz QYMJIHYPNCIRBV-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM CC(C)Cc1ccc(C(=O)C2CCN(Cc3ncccc3[O-])CC2)cc1 ZINC000569624000 1086415978 /nfs/dbraw/zinc/41/59/78/1086415978.db2.gz PQEPCGXRSIQTAZ-UHFFFAOYSA-N -1 3 352.478 4.081 20 0 FIADHM O=c1nc(CN2CC[C@H](C(F)(F)F)C2)[n-]c2scc(-c3ccco3)c21 ZINC000663435060 1086541446 /nfs/dbraw/zinc/54/14/46/1086541446.db2.gz BOGQCJJPXHWDHN-VIFPVBQESA-N -1 3 369.368 4.041 20 0 FIADHM CCc1cccc2c1OCC[C@H]2[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001125663076 1086726238 /nfs/dbraw/zinc/72/62/38/1086726238.db2.gz XEOXXWWKSRXPRV-OAHLLOKOSA-N -1 3 367.342 4.259 20 0 FIADHM CCCN1Cc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])c2C1 ZINC001143529075 1086740117 /nfs/dbraw/zinc/74/01/17/1086740117.db2.gz ZWYIRMNDQUKQGT-UHFFFAOYSA-N -1 3 364.367 4.389 20 0 FIADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c(Cl)cccc1Cl ZINC000467811773 1086823254 /nfs/dbraw/zinc/82/32/54/1086823254.db2.gz OROMNZVFJQOKJC-UHFFFAOYSA-N -1 3 368.170 4.336 20 0 FIADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2cc(Cl)ccc2Cl)s1 ZINC001211598436 1086971508 /nfs/dbraw/zinc/97/15/08/1086971508.db2.gz UUHXLKISEAXACC-QMMMGPOBSA-N -1 3 365.307 4.052 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCCC2(CCOCC2)C1 ZINC000583940168 1087052460 /nfs/dbraw/zinc/05/24/60/1087052460.db2.gz TXAGHJDMOJEKMO-HNNXBMFYSA-N -1 3 358.265 4.012 20 0 FIADHM O=C(C/C=C/c1ccccc1F)NCc1ccc([O-])c(Br)c1 ZINC000151561653 1087147598 /nfs/dbraw/zinc/14/75/98/1087147598.db2.gz TVEJMXAEWUKKES-HWKANZROSA-N -1 3 364.214 4.014 20 0 FIADHM CSc1ccc(C)c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151569003 1087150610 /nfs/dbraw/zinc/15/06/10/1087150610.db2.gz KPPATZRCSYFLIJ-UHFFFAOYSA-N -1 3 366.280 4.115 20 0 FIADHM C[C@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000092526195 1087445745 /nfs/dbraw/zinc/44/57/45/1087445745.db2.gz AEYYXWFMQUQXCE-DGCLKSJQSA-N -1 3 354.431 4.032 20 0 FIADHM CC(C)c1nsc([N-][C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 ZINC000092620999 1087447160 /nfs/dbraw/zinc/44/71/60/1087447160.db2.gz XTUBWDRNZYYNAG-INIZCTEOSA-N -1 3 352.463 4.453 20 0 FIADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000107350229 1087466207 /nfs/dbraw/zinc/46/62/07/1087466207.db2.gz IKDLZQOJUYTXGN-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM Cc1ccc(OC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1C ZINC000685624596 1087646266 /nfs/dbraw/zinc/64/62/66/1087646266.db2.gz FAXAGIAWOAZESB-UHFFFAOYSA-N -1 3 359.853 4.346 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000685624578 1087646271 /nfs/dbraw/zinc/64/62/71/1087646271.db2.gz FHYNXHDGUPBRDU-UHFFFAOYSA-N -1 3 367.779 4.007 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000612045699 1087718381 /nfs/dbraw/zinc/71/83/81/1087718381.db2.gz WOMGJZVSURJFTK-LBPRGKRZSA-N -1 3 361.488 4.053 20 0 FIADHM O=S(=O)([N-]c1cccc(O)c1F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187594149 1088239593 /nfs/dbraw/zinc/23/95/93/1088239593.db2.gz KSNCHRFQMSOKTA-UHFFFAOYSA-N -1 3 369.723 4.004 20 0 FIADHM CCN(Cc1occc1C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000414406899 1088248811 /nfs/dbraw/zinc/24/88/11/1088248811.db2.gz DSWGRWMRTJFUDK-UHFFFAOYSA-N -1 3 366.421 4.113 20 0 FIADHM Clc1ccc([C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc2)cc1Cl ZINC000613577275 1088610996 /nfs/dbraw/zinc/61/09/96/1088610996.db2.gz YPXHZEVQPSTGLA-MRXNPFEDSA-N -1 3 370.243 4.235 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000179667635 1088758467 /nfs/dbraw/zinc/75/84/67/1088758467.db2.gz GSNPVWKUPFTMKI-UHFFFAOYSA-N -1 3 365.351 4.136 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(=O)[nH]c1 ZINC000179935993 1088763268 /nfs/dbraw/zinc/76/32/68/1088763268.db2.gz PYROCBVRUAPHFR-UHFFFAOYSA-N -1 3 363.398 4.022 20 0 FIADHM O=C([O-])c1ccc(CN2CCC[C@H](C3CCC3)C2)c(Br)c1 ZINC000659802530 1088879558 /nfs/dbraw/zinc/87/95/58/1088879558.db2.gz RADVUJUMOYGDIK-AWEZNQCLSA-N -1 3 352.272 4.159 20 0 FIADHM Cc1sc(C(=O)[O-])cc1CN1CCC2(CCc3ccccc3O2)CC1 ZINC000659801548 1088886967 /nfs/dbraw/zinc/88/69/67/1088886967.db2.gz GOZCOFHVAMQTPT-UHFFFAOYSA-N -1 3 357.475 4.115 20 0 FIADHM O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cccc2n[n-]nc21 ZINC000188274577 1088920514 /nfs/dbraw/zinc/92/05/14/1088920514.db2.gz HOQWOWZBDNZEPO-UHFFFAOYSA-N -1 3 368.318 4.295 20 0 FIADHM COc1cc(C)sc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000505516229 1089028359 /nfs/dbraw/zinc/02/83/59/1089028359.db2.gz QIGDVILHLAUASL-UHFFFAOYSA-N -1 3 363.489 4.320 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)cc1C ZINC000435731199 1089902991 /nfs/dbraw/zinc/90/29/91/1089902991.db2.gz KBQBGJZYVHBZEW-UHFFFAOYSA-N -1 3 371.458 4.275 20 0 FIADHM O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000435761242 1089922834 /nfs/dbraw/zinc/92/28/34/1089922834.db2.gz PLTHXXWPZQUSML-QGZVFWFLSA-N -1 3 365.351 4.444 20 0 FIADHM O=C(N1CCCc2c(=O)[n-]cnc21)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000893212713 1090316958 /nfs/dbraw/zinc/31/69/58/1090316958.db2.gz GUKYEQVGCSUJDR-UHFFFAOYSA-N -1 3 371.868 4.017 20 0 FIADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1cccc(Br)c1 ZINC000431880285 1090411716 /nfs/dbraw/zinc/41/17/16/1090411716.db2.gz CQLBRLJLJPARMO-UHFFFAOYSA-N -1 3 354.631 4.475 20 0 FIADHM COc1cccc(-c2nc(-c3cc(Br)ccc3C)no2)c1[O-] ZINC000319015035 1090903192 /nfs/dbraw/zinc/90/31/92/1090903192.db2.gz OIYPGKCLCKEBBG-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM CCCc1csc(CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)n1 ZINC000417546167 1090919732 /nfs/dbraw/zinc/91/97/32/1090919732.db2.gz LOMVPILYMPZYCP-ZDUSSCGKSA-N -1 3 352.887 4.097 20 0 FIADHM CCCc1csc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)n1 ZINC000417546161 1090919892 /nfs/dbraw/zinc/91/98/92/1090919892.db2.gz LOMVPILYMPZYCP-CYBMUJFWSA-N -1 3 352.887 4.097 20 0 FIADHM Cc1ccc(Cl)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000511636042 1090926131 /nfs/dbraw/zinc/92/61/31/1090926131.db2.gz KUGGRAYUVYIYJA-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM CC(C)Cn1cc(CN[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cn1 ZINC000417573342 1090926812 /nfs/dbraw/zinc/92/68/12/1090926812.db2.gz QAQXGQZBSIHVQO-LJQANCHMSA-N -1 3 357.498 4.142 20 0 FIADHM Cc1ccc(C[C@@H](CNCc2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000417576517 1090930259 /nfs/dbraw/zinc/93/02/59/1090930259.db2.gz ZNPKMIHCUIHWGE-ZDUSSCGKSA-N -1 3 358.290 4.396 20 0 FIADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)ccc1C ZINC000417590323 1090934529 /nfs/dbraw/zinc/93/45/29/1090934529.db2.gz RBIIGWDFSMPALH-MRXNPFEDSA-N -1 3 367.367 4.328 20 0 FIADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1csc(-c2ccc(F)cc2)n1 ZINC000417609873 1090938515 /nfs/dbraw/zinc/93/85/15/1090938515.db2.gz MATMKQUUYWFLLU-QGZVFWFLSA-N -1 3 362.470 4.462 20 0 FIADHM Cc1c(F)cccc1-c1ccc(CNC[C@@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000417623020 1090942045 /nfs/dbraw/zinc/94/20/45/1090942045.db2.gz IZPITALAIFCSPF-LLVKDONJSA-N -1 3 359.319 4.137 20 0 FIADHM C[C@@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@H](C)C(=O)[O-] ZINC000417611142 1090942796 /nfs/dbraw/zinc/94/27/96/1090942796.db2.gz NOYJYCKVUCXVRA-DTWKUNHWSA-N -1 3 359.278 4.316 20 0 FIADHM CC(C)=CCSC[C@@H](NCc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000417632217 1090945729 /nfs/dbraw/zinc/94/57/29/1090945729.db2.gz WQDWWQCHJHOSKQ-CQSZACIVSA-N -1 3 365.392 4.087 20 0 FIADHM CCCOc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OCC ZINC000417623258 1090946755 /nfs/dbraw/zinc/94/67/55/1090946755.db2.gz PJUUECJZALIOKV-OALUTQOASA-N -1 3 369.461 4.277 20 0 FIADHM CCOc1c(Cl)cc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1OC ZINC000417669338 1090958192 /nfs/dbraw/zinc/95/81/92/1090958192.db2.gz LPNHUEUASMNYAX-UHFFFAOYSA-N -1 3 363.841 4.044 20 0 FIADHM CC(C)c1nn(-c2ccccc2)cc1CNCc1c(F)ccc([O-])c1F ZINC000511641685 1090996657 /nfs/dbraw/zinc/99/66/57/1090996657.db2.gz TYTKKOSTWVQKOR-UHFFFAOYSA-N -1 3 357.404 4.269 20 0 FIADHM CC(C)Cc1ncc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)s1 ZINC001125952785 1091624603 /nfs/dbraw/zinc/62/46/03/1091624603.db2.gz VBKMWTKZWPNZAW-UHFFFAOYSA-N -1 3 358.492 4.036 20 0 FIADHM CCOc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])nc1C ZINC001167767690 1091703035 /nfs/dbraw/zinc/70/30/35/1091703035.db2.gz GFRHWCBTWMPPRN-UHFFFAOYSA-N -1 3 362.429 4.337 20 0 FIADHM CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000041866384 1092022507 /nfs/dbraw/zinc/02/25/07/1092022507.db2.gz AMFYQVXTXIQRPX-IBGZPJMESA-N -1 3 354.837 4.309 20 0 FIADHM O=c1ccnc(C(=Cc2cnc(C(F)(F)F)s2)Cc2ccccc2)[n-]1 ZINC000432694669 1092121494 /nfs/dbraw/zinc/12/14/94/1092121494.db2.gz NCKCGHVWPMBCJP-XFXZXTDPSA-N -1 3 363.364 4.441 20 0 FIADHM COC[C@H](C)Nc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000437619690 1092160358 /nfs/dbraw/zinc/16/03/58/1092160358.db2.gz WNJVEXWKBMPLNS-AWEZNQCLSA-N -1 3 350.418 4.245 20 0 FIADHM CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093994 1092289905 /nfs/dbraw/zinc/28/99/05/1092289905.db2.gz HUWPVEAPOSJLKF-XJKSGUPXSA-N -1 3 354.431 4.032 20 0 FIADHM CC1(C)[C@@H](NC(=O)c2cc([O-])ccc2Cl)C[C@@H]1OCc1ccccc1 ZINC000500758367 1092518853 /nfs/dbraw/zinc/51/88/53/1092518853.db2.gz KOHQZPHSNMWNMY-ROUUACIJSA-N -1 3 359.853 4.159 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1C ZINC000521127752 1092526418 /nfs/dbraw/zinc/52/64/18/1092526418.db2.gz BGEMIOHUZAUFQR-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3c4ccccc4C[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000521175708 1092551516 /nfs/dbraw/zinc/55/15/16/1092551516.db2.gz QBKFGXALBSSPSW-ZSEKCTLFSA-N -1 3 374.444 4.213 20 0 FIADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000512544966 1092793019 /nfs/dbraw/zinc/79/30/19/1092793019.db2.gz QMYXJWQAOQVFDE-LBPRGKRZSA-N -1 3 374.362 4.380 20 0 FIADHM CCCO[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000521633812 1092808671 /nfs/dbraw/zinc/80/86/71/1092808671.db2.gz KTRXNSHCRYMBES-CJNGLKHVSA-N -1 3 360.281 4.400 20 0 FIADHM O=c1[n-]c(CN2CC[C@H](c3ccccc3F)C2)nc2c3ccccc3oc21 ZINC000549814155 1092830256 /nfs/dbraw/zinc/83/02/56/1092830256.db2.gz XFYRRXOWJAAPQV-ZDUSSCGKSA-N -1 3 363.392 4.210 20 0 FIADHM CCc1ccc2occ(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)c2c1 ZINC000508416033 1092987281 /nfs/dbraw/zinc/98/72/81/1092987281.db2.gz BOKPNNBNEJGEBU-UHFFFAOYSA-N -1 3 373.412 4.306 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)[C@H](C)Cc1ccc(C)cc1 ZINC000575755757 1093001857 /nfs/dbraw/zinc/00/18/57/1093001857.db2.gz YANZJMPIPRPPKK-MRXNPFEDSA-N -1 3 365.477 4.126 20 0 FIADHM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000575790398 1093046005 /nfs/dbraw/zinc/04/60/05/1093046005.db2.gz ZTGGKHADTGHLMC-SECBINFHSA-N -1 3 359.731 4.470 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)c1F ZINC000512657457 1093091769 /nfs/dbraw/zinc/09/17/69/1093091769.db2.gz CZGFEZKKSVDKFM-INIZCTEOSA-N -1 3 357.759 4.036 20 0 FIADHM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000550471686 1093144509 /nfs/dbraw/zinc/14/45/09/1093144509.db2.gz UCIUEXKXBIUBMU-SWLSCSKDSA-N -1 3 366.642 4.094 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccoc3C(C)C)c2)n1 ZINC000280855751 1093235880 /nfs/dbraw/zinc/23/58/80/1093235880.db2.gz YJARAGHQLUXSLP-UHFFFAOYSA-N -1 3 351.406 4.380 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC3CCC(C)(C)CC3)cc2)cc(=O)[n-]1 ZINC000550522449 1093278375 /nfs/dbraw/zinc/27/83/75/1093278375.db2.gz IRTAFHXLOLRZHP-UHFFFAOYSA-N -1 3 368.481 4.496 20 0 FIADHM O=S(=O)([N-]CC(F)(F)c1ccc(Cl)cc1)c1cccc2ccoc21 ZINC001211781078 1093300967 /nfs/dbraw/zinc/30/09/67/1093300967.db2.gz FPJXRXFIDKIFEN-UHFFFAOYSA-N -1 3 371.792 4.157 20 0 FIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000433145692 1093330889 /nfs/dbraw/zinc/33/08/89/1093330889.db2.gz RIZMSVFPCURIKV-UHFFFAOYSA-N -1 3 368.739 4.002 20 0 FIADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000443624604 1093345599 /nfs/dbraw/zinc/34/55/99/1093345599.db2.gz IKPDVFLZYFKKTJ-NSHDSACASA-N -1 3 370.346 4.153 20 0 FIADHM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509815914 1093426799 /nfs/dbraw/zinc/42/67/99/1093426799.db2.gz CHPIWCAVWUFPEA-LLVKDONJSA-N -1 3 351.374 4.059 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2ccc(C)cc2)[nH][n-]1 ZINC000512848805 1093446613 /nfs/dbraw/zinc/44/66/13/1093446613.db2.gz JYBGDLIFNWBCQX-UHFFFAOYSA-N -1 3 369.852 4.040 20 0 FIADHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000509852946 1093536636 /nfs/dbraw/zinc/53/66/36/1093536636.db2.gz LHQQNNJXFHQIMN-CQSZACIVSA-N -1 3 362.433 4.349 20 0 FIADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2nc(-c3ccccc3)ns2)s1 ZINC000114239775 1093543454 /nfs/dbraw/zinc/54/34/54/1093543454.db2.gz ILVZVDHROGSJMA-UHFFFAOYSA-N -1 3 367.402 4.429 20 0 FIADHM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc([O-])ccc1Cl ZINC000433313208 1093566329 /nfs/dbraw/zinc/56/63/29/1093566329.db2.gz PEVPGJBWKAQZTH-UHFFFAOYSA-N -1 3 372.852 4.314 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)cc1C ZINC000512953147 1093592240 /nfs/dbraw/zinc/59/22/40/1093592240.db2.gz QEAOTOFNEQHDPB-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N(CCc1ccccc1)Cc1cccnc1 ZINC000433344934 1093599872 /nfs/dbraw/zinc/59/98/72/1093599872.db2.gz UZMXOTLUNYPMNA-UHFFFAOYSA-N -1 3 366.848 4.326 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N(CC3CC3)c3ccccc3)c[n-]c12 ZINC000433360682 1093621544 /nfs/dbraw/zinc/62/15/44/1093621544.db2.gz FRSJFTPGPGBBHO-UHFFFAOYSA-N -1 3 350.393 4.032 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H]3CCc4ccccc43)cc2)cc(=O)[n-]1 ZINC000509891927 1093696459 /nfs/dbraw/zinc/69/64/59/1093696459.db2.gz ZGGLGUBMGVXCPD-FQEVSTJZSA-N -1 3 374.444 4.309 20 0 FIADHM COC([O-])=NC(=S)N(c1ccc(OC(C)C)cc1C)c1ccccc1N ZINC001211818325 1093708867 /nfs/dbraw/zinc/70/88/67/1093708867.db2.gz KOFQIDXVQZXBRC-UHFFFAOYSA-N -1 3 373.478 4.143 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nc3ccccc3o2)CC1 ZINC000052427754 1093746850 /nfs/dbraw/zinc/74/68/50/1093746850.db2.gz NRZKTXZCPHYGHZ-UHFFFAOYSA-N -1 3 371.824 4.042 20 0 FIADHM CCc1ccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)c([O-])c1 ZINC001143554953 1093748843 /nfs/dbraw/zinc/74/88/43/1093748843.db2.gz IGJRMDLOJOVVBE-OAQYLSRUSA-N -1 3 367.489 4.369 20 0 FIADHM CN(Cc1cscc1Br)C(=O)c1cc([O-])ccc1Cl ZINC000709990906 1094011749 /nfs/dbraw/zinc/01/17/49/1094011749.db2.gz GCYXLQWBOTZAFA-UHFFFAOYSA-N -1 3 360.660 4.142 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)CC(C)C)cc2)cc(=O)[n-]1 ZINC000433997981 1094232002 /nfs/dbraw/zinc/23/20/02/1094232002.db2.gz UXUZUTIYALHRAT-UHFFFAOYSA-N -1 3 356.470 4.351 20 0 FIADHM Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c(Cl)c1 ZINC000191858781 1094375226 /nfs/dbraw/zinc/37/52/26/1094375226.db2.gz MEWMPEZOEFSVBI-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000522530078 1095112356 /nfs/dbraw/zinc/11/23/56/1095112356.db2.gz OCTRZFPDNXOZLF-VHSXEESVSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000502646254 1095668671 /nfs/dbraw/zinc/66/86/71/1095668671.db2.gz GOHQRTFLZSZGOT-GHMZBOCLSA-N -1 3 363.204 4.114 20 0 FIADHM FC(F)Oc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)cc1 ZINC000502709383 1095748416 /nfs/dbraw/zinc/74/84/16/1095748416.db2.gz QAMIRJNNHCDDFC-UHFFFAOYSA-N -1 3 371.372 4.493 20 0 FIADHM COc1cccc([C@@H](C)Oc2cccc([O-])c2I)c1 ZINC001227382891 1095767345 /nfs/dbraw/zinc/76/73/45/1095767345.db2.gz WZGYATHWFFDKJM-SNVBAGLBSA-N -1 3 370.186 4.145 20 0 FIADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(C)c3)nc(=O)c2c1C ZINC000007488923 1095901631 /nfs/dbraw/zinc/90/16/31/1095901631.db2.gz ZFXNGSWYGVESRL-WQLSENKSSA-N -1 3 374.849 4.125 20 0 FIADHM CCOc1cc(C(=O)[N-]c2ccnc(Oc3ccccc3Cl)c2)on1 ZINC001126404321 1095927361 /nfs/dbraw/zinc/92/73/61/1095927361.db2.gz UFLVKDPOYMLDFI-UHFFFAOYSA-N -1 3 359.769 4.166 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1occc1-c1ccc(F)cc1 ZINC000502966827 1095988655 /nfs/dbraw/zinc/98/86/55/1095988655.db2.gz BEMUELMTGVMUJY-UHFFFAOYSA-N -1 3 366.327 4.262 20 0 FIADHM O=C(CC(c1ccccc1)c1ccccc1)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000503005565 1096012087 /nfs/dbraw/zinc/01/20/87/1096012087.db2.gz SEKCXJHOLDCDHG-UHFFFAOYSA-N -1 3 368.440 4.054 20 0 FIADHM C[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCO1 ZINC000271983354 1096146238 /nfs/dbraw/zinc/14/62/38/1096146238.db2.gz ZJXGHZSFSQXFRH-CHWSQXEVSA-N -1 3 368.458 4.423 20 0 FIADHM CCOC(=O)c1c([N-]C(=O)c2cc(C(C)C)no2)sc2c1CCCC2 ZINC000504538551 1096801908 /nfs/dbraw/zinc/80/19/08/1096801908.db2.gz LCMILFCCSNPFOW-UHFFFAOYSA-N -1 3 362.451 4.167 20 0 FIADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cc(Cl)ccc1OCC1CC1 ZINC000515501277 1098634739 /nfs/dbraw/zinc/63/47/39/1098634739.db2.gz ZYUXMUITXTZEHT-IGCXYCKISA-N -1 3 351.874 4.202 20 0 FIADHM CSc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000436024615 1098652085 /nfs/dbraw/zinc/65/20/85/1098652085.db2.gz DYIRONMVPRKRFR-UHFFFAOYSA-N -1 3 365.373 4.367 20 0 FIADHM COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159457 1098813264 /nfs/dbraw/zinc/81/32/64/1098813264.db2.gz CAALDUJNKDLNDA-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cnc2ccc(F)cc2c1 ZINC000436479607 1099042639 /nfs/dbraw/zinc/04/26/39/1099042639.db2.gz WOAIMKMAVPEFIP-UHFFFAOYSA-N -1 3 372.755 4.106 20 0 FIADHM C[C@@H]1c2c(F)cccc2CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000533427547 1099048637 /nfs/dbraw/zinc/04/86/37/1099048637.db2.gz WCRSWRSXJPRTNF-GFCCVEGCSA-N -1 3 363.392 4.340 20 0 FIADHM COc1ccc(C(=O)N(CCc2ccccc2F)C2CCCC2)c([O-])c1 ZINC000436540594 1099105771 /nfs/dbraw/zinc/10/57/71/1099105771.db2.gz PTSTTXWTFQCIOU-UHFFFAOYSA-N -1 3 357.425 4.167 20 0 FIADHM Cc1cc([C@@H]2CCCN2C(=O)c2cc(Oc3ccccc3)ccc2[O-])on1 ZINC000436566271 1099117114 /nfs/dbraw/zinc/11/71/14/1099117114.db2.gz WXROSGVAOHYAMM-SFHVURJKSA-N -1 3 364.401 4.458 20 0 FIADHM CC(C)Cn1ncc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1C(F)F ZINC000436566209 1099118651 /nfs/dbraw/zinc/11/86/51/1099118651.db2.gz WSKIZXCVVGUBJD-UHFFFAOYSA-N -1 3 363.408 4.313 20 0 FIADHM COc1ccc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)c([O-])c1 ZINC000436573697 1099123028 /nfs/dbraw/zinc/12/30/28/1099123028.db2.gz CRCFAWVEUVWYAV-QGZVFWFLSA-N -1 3 367.445 4.059 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000436573495 1099123435 /nfs/dbraw/zinc/12/34/35/1099123435.db2.gz IATGACMZJMYOIE-HSZRJFAPSA-N -1 3 365.473 4.016 20 0 FIADHM CN(CCOc1ccccc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436586003 1099133546 /nfs/dbraw/zinc/13/35/46/1099133546.db2.gz UNCAYUWUHOXGOD-UHFFFAOYSA-N -1 3 361.441 4.134 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c([O-])c1 ZINC000436587252 1099135226 /nfs/dbraw/zinc/13/52/26/1099135226.db2.gz XSULPJJIVWLSLN-UHFFFAOYSA-N -1 3 366.461 4.358 20 0 FIADHM COC[C@H](C)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436603117 1099138718 /nfs/dbraw/zinc/13/87/18/1099138718.db2.gz GYSWKIPTMNZOOT-GFCCVEGCSA-N -1 3 356.447 4.280 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000533521079 1099140558 /nfs/dbraw/zinc/14/05/58/1099140558.db2.gz UHEKZTBELMNENV-SJORKVTESA-N -1 3 367.445 4.073 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1[O-] ZINC000436611270 1099145334 /nfs/dbraw/zinc/14/53/34/1099145334.db2.gz ZQHOBAOOKGLJCN-UHFFFAOYSA-N -1 3 350.374 4.119 20 0 FIADHM COc1ccc2c(c1)CN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000436616204 1099149602 /nfs/dbraw/zinc/14/96/02/1099149602.db2.gz HTUFGZMQSRVLRY-UHFFFAOYSA-N -1 3 373.452 4.190 20 0 FIADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000436643074 1099183547 /nfs/dbraw/zinc/18/35/47/1099183547.db2.gz VUHRGQNVTRPPLZ-LBPRGKRZSA-N -1 3 367.367 4.210 20 0 FIADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)o1 ZINC000436664083 1099193530 /nfs/dbraw/zinc/19/35/30/1099193530.db2.gz OAESGSGXKKDJSD-MRXNPFEDSA-N -1 3 373.449 4.322 20 0 FIADHM O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc(O)cc1[O-] ZINC000436685149 1099217848 /nfs/dbraw/zinc/21/78/48/1099217848.db2.gz AMVLPFDNXHSLAK-IBGZPJMESA-N -1 3 372.424 4.141 20 0 FIADHM COc1cc(-c2nc(Cc3cccc4ccccc43)no2)cc(OC)c1[O-] ZINC000436686974 1099220956 /nfs/dbraw/zinc/22/09/56/1099220956.db2.gz GPFBCCFSLZRZEY-UHFFFAOYSA-N -1 3 362.385 4.203 20 0 FIADHM CCOc1ccc(C2=CCN(C(=O)c3cc(CC)ccc3[O-])CC2)cc1 ZINC000436694711 1099228621 /nfs/dbraw/zinc/22/86/21/1099228621.db2.gz IIROLPJMXCUNJR-UHFFFAOYSA-N -1 3 351.446 4.283 20 0 FIADHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436706769 1099239706 /nfs/dbraw/zinc/23/97/06/1099239706.db2.gz DCTGCGLIOMMZBE-SJCJKPOMSA-N -1 3 365.351 4.013 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c([O-])c1 ZINC000436734623 1099256768 /nfs/dbraw/zinc/25/67/68/1099256768.db2.gz KKGDLQXHSCRLEW-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM CC(=O)N(c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1)[C@@H]1C[C@@H]1C ZINC000436738726 1099258488 /nfs/dbraw/zinc/25/84/88/1099258488.db2.gz MHSVDHUEDDKSEX-ORAYPTAESA-N -1 3 352.434 4.023 20 0 FIADHM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436739532 1099260691 /nfs/dbraw/zinc/26/06/91/1099260691.db2.gz ODJTUOKYXJYSDU-NSHDSACASA-N -1 3 358.829 4.322 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(Cc3ccccc3CO)CC2)c([O-])c1 ZINC000436745167 1099264181 /nfs/dbraw/zinc/26/41/81/1099264181.db2.gz SLCIDDDLFYDXGP-UHFFFAOYSA-N -1 3 367.489 4.103 20 0 FIADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(CCCl)cc1 ZINC000048401541 1099273208 /nfs/dbraw/zinc/27/32/08/1099273208.db2.gz UPGGXANNGTVZLD-UHFFFAOYSA-N -1 3 367.898 4.364 20 0 FIADHM COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c([O-])c1 ZINC000436752118 1099286745 /nfs/dbraw/zinc/28/67/45/1099286745.db2.gz PUDHGKCDITXCFI-GOSISDBHSA-N -1 3 371.483 4.312 20 0 FIADHM C[C@@]12CCN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])C[C@@H]1C2(F)F ZINC000436786997 1099318342 /nfs/dbraw/zinc/31/83/42/1099318342.db2.gz LRJAQXFOBFXHKQ-PZJWPPBQSA-N -1 3 371.427 4.295 20 0 FIADHM COc1cccc(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c1[O-] ZINC000436790091 1099320913 /nfs/dbraw/zinc/32/09/13/1099320913.db2.gz NEVYFLYJWLCZRZ-UHFFFAOYSA-N -1 3 372.421 4.148 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c([O-])c1 ZINC000436794014 1099325064 /nfs/dbraw/zinc/32/50/64/1099325064.db2.gz UQEWTSNIVJZZHT-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM COCC[C@H]1CCCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436818745 1099329811 /nfs/dbraw/zinc/32/98/11/1099329811.db2.gz VVSFUHOOWFQBPF-LJQANCHMSA-N -1 3 367.489 4.262 20 0 FIADHM CC(C)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)c([O-])c1 ZINC000436818934 1099329928 /nfs/dbraw/zinc/32/99/28/1099329928.db2.gz XFEUKKGWLSXYGT-UHFFFAOYSA-N -1 3 371.452 4.476 20 0 FIADHM C[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCS1 ZINC000436805240 1099333646 /nfs/dbraw/zinc/33/36/46/1099333646.db2.gz DHUWGXYLEJOBGZ-MRXNPFEDSA-N -1 3 355.503 4.145 20 0 FIADHM CCc1ccc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c([O-])c1 ZINC000436833239 1099344514 /nfs/dbraw/zinc/34/45/14/1099344514.db2.gz VDKBYCVSLUJEHU-INIZCTEOSA-N -1 3 355.434 4.205 20 0 FIADHM CCc1ccc(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c([O-])c1 ZINC000436820729 1099348495 /nfs/dbraw/zinc/34/84/95/1099348495.db2.gz MQLNFEGCCDZBRE-UHFFFAOYSA-N -1 3 354.450 4.500 20 0 FIADHM CCc1ccc(-c2nc(-c3cccnc3N3CCCCC3)no2)c([O-])c1 ZINC000436845271 1099364090 /nfs/dbraw/zinc/36/40/90/1099364090.db2.gz ISWHCTZWHHNXIA-UHFFFAOYSA-N -1 3 350.422 4.057 20 0 FIADHM CCc1ccc(-c2nc(-c3cccc(NC(=O)C4CCC4)c3)no2)c([O-])c1 ZINC000436848165 1099365806 /nfs/dbraw/zinc/36/58/06/1099365806.db2.gz UGDRHCAKZNZLPY-UHFFFAOYSA-N -1 3 363.417 4.410 20 0 FIADHM CC(C)COC[C@@H](NCc1cccc([O-])c1Br)c1ccco1 ZINC000459389612 1099368751 /nfs/dbraw/zinc/36/87/51/1099368751.db2.gz AGQCRMSMFNFVDI-CQSZACIVSA-N -1 3 368.271 4.251 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccc(Br)s1 ZINC000436852407 1099368662 /nfs/dbraw/zinc/36/86/62/1099368662.db2.gz OKNRYTXGMYIUPK-LLVKDONJSA-N -1 3 352.253 4.194 20 0 FIADHM Nc1ccccc1OCCOc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212007428 1099371751 /nfs/dbraw/zinc/37/17/51/1099371751.db2.gz DDHWAGYRKWYUPF-UHFFFAOYSA-N -1 3 372.371 4.454 20 0 FIADHM [O-]c1ccc(Nc2cc(F)ccc2I)c(F)c1F ZINC001212010838 1099374877 /nfs/dbraw/zinc/37/48/77/1099374877.db2.gz BKPBUWPORJOILQ-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccccc1[O-] ZINC000436857832 1099389613 /nfs/dbraw/zinc/38/96/13/1099389613.db2.gz YKGJTNUNYVISJA-SJKOYZFVSA-N -1 3 365.351 4.013 20 0 FIADHM CCC(C)(C)c1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436894569 1099393906 /nfs/dbraw/zinc/39/39/06/1099393906.db2.gz QIKVBCLGCHHRMD-UHFFFAOYSA-N -1 3 357.450 4.027 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1[O-] ZINC000436886216 1099402524 /nfs/dbraw/zinc/40/25/24/1099402524.db2.gz GHESWGGVKWCAMH-UHFFFAOYSA-N -1 3 352.268 4.016 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1 ZINC000436890332 1099405862 /nfs/dbraw/zinc/40/58/62/1099405862.db2.gz YYBNFZKYYSUVIZ-UHFFFAOYSA-N -1 3 351.406 4.108 20 0 FIADHM [O-]c1ccccc1-c1nc(C2(c3ccccc3Br)CC2)no1 ZINC000436889664 1099407937 /nfs/dbraw/zinc/40/79/37/1099407937.db2.gz YUMIFVZTNXBPBK-UHFFFAOYSA-N -1 3 357.207 4.285 20 0 FIADHM CO[C@]1(C)CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436906067 1099414476 /nfs/dbraw/zinc/41/44/76/1099414476.db2.gz PPDZPGATRIDBHL-JOCHJYFZSA-N -1 3 353.462 4.014 20 0 FIADHM CO[C@@]1(C)CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436906302 1099415150 /nfs/dbraw/zinc/41/51/50/1099415150.db2.gz QCSGTBTURLFAKQ-NRFANRHFSA-N -1 3 355.434 4.216 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000436909014 1099416125 /nfs/dbraw/zinc/41/61/25/1099416125.db2.gz NXCJXGAAANXMEO-OAHLLOKOSA-N -1 3 364.214 4.271 20 0 FIADHM COc1cccc(-c2nc(Cc3cc(Cl)ccc3Cl)no2)c1[O-] ZINC000436931207 1099428371 /nfs/dbraw/zinc/42/83/71/1099428371.db2.gz JVGQCHJKHHYOBK-UHFFFAOYSA-N -1 3 351.189 4.348 20 0 FIADHM COc1ccc(Cc2noc(-c3ccc(C)cc3[O-])n2)c(Cl)c1OC ZINC000436922382 1099436366 /nfs/dbraw/zinc/43/63/66/1099436366.db2.gz XOTOCTGUDOAYFV-UHFFFAOYSA-N -1 3 360.797 4.012 20 0 FIADHM COc1ccc2cccc(Cc3noc(-c4cccc(OC)c4[O-])n3)c2c1 ZINC000436937618 1099450969 /nfs/dbraw/zinc/45/09/69/1099450969.db2.gz QPUTYDPJFGGVRP-UHFFFAOYSA-N -1 3 362.385 4.203 20 0 FIADHM CC[C@@](C)(OC)c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436953811 1099472214 /nfs/dbraw/zinc/47/22/14/1099472214.db2.gz BRXYOTYLMQTZCP-HXUWFJFHSA-N -1 3 354.406 4.293 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)c([O-])c1 ZINC000436971845 1099479774 /nfs/dbraw/zinc/47/97/74/1099479774.db2.gz LREKFQVOISGUQO-KRWDZBQOSA-N -1 3 369.461 4.209 20 0 FIADHM CCc1c(NC(=O)CCCc2ccc([O-])c(F)c2)onc1C(F)(F)F ZINC000505919168 1099501809 /nfs/dbraw/zinc/50/18/09/1099501809.db2.gz OKHJQMJDXFOGAN-UHFFFAOYSA-N -1 3 360.307 4.062 20 0 FIADHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001212093892 1099589910 /nfs/dbraw/zinc/58/99/10/1099589910.db2.gz ODJRBWINXUEJCZ-CJNGLKHVSA-N -1 3 370.927 4.176 20 0 FIADHM CCCOc1c(Cl)cc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1OCC ZINC000263040841 1099757414 /nfs/dbraw/zinc/75/74/14/1099757414.db2.gz ITOHLXUIHLMVPC-DZGCQCFKSA-N -1 3 369.889 4.070 20 0 FIADHM CC(C)c1ccc(-c2nc(CN3C[C@H](C)C[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000263364222 1099783367 /nfs/dbraw/zinc/78/33/67/1099783367.db2.gz SSGQYVVLLWGRPZ-RHSMWYFYSA-N -1 3 358.507 4.476 20 0 FIADHM CCCN(CC(=O)[O-])Cc1ccc(-c2cccc(Br)c2)s1 ZINC000263385081 1099786738 /nfs/dbraw/zinc/78/67/38/1099786738.db2.gz CREPPVFBAPKLJM-UHFFFAOYSA-N -1 3 368.296 4.474 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](c2cccnc2)C1 ZINC000517035693 1099996164 /nfs/dbraw/zinc/99/61/64/1099996164.db2.gz OVCQZWFXWXJBKZ-WBMJQRKESA-N -1 3 351.233 4.004 20 0 FIADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1nc(C)ccc1[O-] ZINC000506088393 1100054864 /nfs/dbraw/zinc/05/48/64/1100054864.db2.gz XRRCVXWBMDXYMR-UHFFFAOYSA-N -1 3 372.856 4.211 20 0 FIADHM Cc1cnc([C@@H](NCc2cccc([O-])c2Br)C2CC2)s1 ZINC000459408728 1100130746 /nfs/dbraw/zinc/13/07/46/1100130746.db2.gz AGEIBYXGNACUGG-AWEZNQCLSA-N -1 3 353.285 4.161 20 0 FIADHM COc1cccc(F)c1[C@@H](C)NCc1cccc([O-])c1Br ZINC000459414731 1100139334 /nfs/dbraw/zinc/13/93/34/1100139334.db2.gz QVJIACYUODLFTJ-SNVBAGLBSA-N -1 3 354.219 4.153 20 0 FIADHM CCOc1cc(C)ccc1CNCc1cccc([O-])c1Br ZINC000459440927 1100177148 /nfs/dbraw/zinc/17/71/48/1100177148.db2.gz OQCRPNAFMBPWTG-UHFFFAOYSA-N -1 3 350.256 4.152 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1Br ZINC000459465100 1100210059 /nfs/dbraw/zinc/21/00/59/1100210059.db2.gz IRJJAWBZDDOWMD-CQSZACIVSA-N -1 3 366.230 4.297 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCCOc3c(F)cccc32)c1Br ZINC000459471751 1100223294 /nfs/dbraw/zinc/22/32/94/1100223294.db2.gz XDNZKKYYQYTSTE-CQSZACIVSA-N -1 3 366.230 4.297 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cnc(-c3ccccc3F)s2)c1[O-] ZINC000517251727 1100227790 /nfs/dbraw/zinc/22/77/90/1100227790.db2.gz FOPIGIKXZDZTJP-UHFFFAOYSA-N -1 3 356.378 4.110 20 0 FIADHM Cn1c2ccccc2nc1C(C)(C)NCc1cccc([O-])c1Br ZINC000459543818 1100290143 /nfs/dbraw/zinc/29/01/43/1100290143.db2.gz ZANJCTRHWSPPGE-UHFFFAOYSA-N -1 3 374.282 4.066 20 0 FIADHM CSCc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC000459553696 1100300763 /nfs/dbraw/zinc/30/07/63/1100300763.db2.gz ZGDSFZYSPWKIPV-UHFFFAOYSA-N -1 3 352.297 4.308 20 0 FIADHM CCOc1cc(CNc2cccc(C(=O)N(C)CC)c2)cc(Cl)c1[O-] ZINC000459559860 1100304495 /nfs/dbraw/zinc/30/44/95/1100304495.db2.gz MRFRCHMSMLANOF-UHFFFAOYSA-N -1 3 362.857 4.148 20 0 FIADHM COC[C@@H](NCc1cccc([O-])c1Br)c1cccc(Cl)c1 ZINC000459561929 1100306144 /nfs/dbraw/zinc/30/61/44/1100306144.db2.gz MEWLHIKVBQGZLD-CQSZACIVSA-N -1 3 370.674 4.285 20 0 FIADHM CCOc1cc(CNc2ccc3c(cc(C)c(=O)n3C)c2)cc(Cl)c1[O-] ZINC000459566415 1100315903 /nfs/dbraw/zinc/31/59/03/1100315903.db2.gz ZEKOIQCYAQMYPG-UHFFFAOYSA-N -1 3 372.852 4.217 20 0 FIADHM CC(C)(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)Cc1ccc(Cl)cc1 ZINC000438036805 1100383729 /nfs/dbraw/zinc/38/37/29/1100383729.db2.gz PQGOCUNVTYYXQF-UHFFFAOYSA-N -1 3 360.767 4.074 20 0 FIADHM CC(C)(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)Cc1ccc(Cl)cc1 ZINC000438036805 1100383739 /nfs/dbraw/zinc/38/37/39/1100383739.db2.gz PQGOCUNVTYYXQF-UHFFFAOYSA-N -1 3 360.767 4.074 20 0 FIADHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2O1 ZINC000517977639 1100834889 /nfs/dbraw/zinc/83/48/89/1100834889.db2.gz BFNXFRJDUBPFPU-CQSZACIVSA-N -1 3 373.474 4.132 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1Br ZINC000438795576 1100924449 /nfs/dbraw/zinc/92/44/49/1100924449.db2.gz YJIXRQWHNSELLO-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000518217187 1101016964 /nfs/dbraw/zinc/01/69/64/1101016964.db2.gz RZERQUPRVWTMCF-UHFFFAOYSA-N -1 3 355.257 4.295 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c(Cl)c1 ZINC000518249860 1101047376 /nfs/dbraw/zinc/04/73/76/1101047376.db2.gz GPJAWXDKVOQNNX-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)C(C)C)cc2)cc1 ZINC000439256040 1101293566 /nfs/dbraw/zinc/29/35/66/1101293566.db2.gz IHVMBXQQAYBROQ-UHFFFAOYSA-N -1 3 374.506 4.417 20 0 FIADHM CC(C)CC(CC(C)C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431167 1101319702 /nfs/dbraw/zinc/31/97/02/1101319702.db2.gz KHQRBWFIAYEJFI-UHFFFAOYSA-N -1 3 353.816 4.168 20 0 FIADHM Cc1cc(Cl)c(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1C ZINC000648431920 1101320572 /nfs/dbraw/zinc/32/05/72/1101320572.db2.gz JCNPIKMAVHLRJW-UHFFFAOYSA-N -1 3 366.170 4.043 20 0 FIADHM CC[C@@H](C)[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648433755 1101334517 /nfs/dbraw/zinc/33/45/17/1101334517.db2.gz NAIZPCVJPROQTI-RISCZKNCSA-N -1 3 373.806 4.289 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCC(C)=C(C)C3)c2)n1 ZINC000518773109 1101536397 /nfs/dbraw/zinc/53/63/97/1101536397.db2.gz CNECIKHXOSKXFR-MRXNPFEDSA-N -1 3 351.450 4.487 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCC(C)=C(C)C3)c2)n1 ZINC000518773107 1101536561 /nfs/dbraw/zinc/53/65/61/1101536561.db2.gz CNECIKHXOSKXFR-INIZCTEOSA-N -1 3 351.450 4.487 20 0 FIADHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000439696638 1101689217 /nfs/dbraw/zinc/68/92/17/1101689217.db2.gz QMMPWIWIKFISJD-UHFFFAOYSA-N -1 3 368.414 4.319 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c(C)c1C ZINC000584374110 1101717276 /nfs/dbraw/zinc/71/72/76/1101717276.db2.gz SAZHGAMXXUXTPB-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM O=C(NC[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000518918322 1101736521 /nfs/dbraw/zinc/73/65/21/1101736521.db2.gz JWMYZWWBWOHTQK-QZTJIDSGSA-N -1 3 360.457 4.232 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2c1cccc2-c1ccccc1 ZINC000185660948 1101743749 /nfs/dbraw/zinc/74/37/49/1101743749.db2.gz JMUPVAQYNUNJRP-UHFFFAOYSA-N -1 3 366.420 4.398 20 0 FIADHM CC(C)COc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC000024863613 1101917660 /nfs/dbraw/zinc/91/76/60/1101917660.db2.gz CIXUITSXUHSTPD-UHFFFAOYSA-N -1 3 370.836 4.469 20 0 FIADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2cccs2)no1 ZINC000519122060 1101945577 /nfs/dbraw/zinc/94/55/77/1101945577.db2.gz KKVJSPMOWSGXNY-VIFPVBQESA-N -1 3 360.464 4.166 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000476148180 1101984241 /nfs/dbraw/zinc/98/42/41/1101984241.db2.gz JKMXSFXDDMDTHA-GHMZBOCLSA-N -1 3 357.278 4.431 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc(Cl)sc1Cl ZINC000102823741 1102017954 /nfs/dbraw/zinc/01/79/54/1102017954.db2.gz JHMIXVFEMRQWIS-UHFFFAOYSA-N -1 3 357.197 4.231 20 0 FIADHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc2ccccc2cc1[O-] ZINC000036684479 1102029866 /nfs/dbraw/zinc/02/98/66/1102029866.db2.gz KZQFOJSDWYWANM-LJQANCHMSA-N -1 3 364.445 4.095 20 0 FIADHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000263374518 1102095386 /nfs/dbraw/zinc/09/53/86/1102095386.db2.gz WITDJSJHJHTGBO-NEPJUHHUSA-N -1 3 350.871 4.006 20 0 FIADHM O=S(=O)([N-]c1cc(-c2ccccc2)ccc1Cl)c1cncc(F)c1 ZINC000475832124 1102118847 /nfs/dbraw/zinc/11/88/47/1102118847.db2.gz MOPBXGLHBVPRCA-UHFFFAOYSA-N -1 3 362.813 4.342 20 0 FIADHM Cc1cccnc1[C@@H](NCc1ncc(Br)cc1[O-])C(C)(C)C ZINC000897993496 1102155442 /nfs/dbraw/zinc/15/54/42/1102155442.db2.gz DQDQSLJGVPFUCK-MRXNPFEDSA-N -1 3 364.287 4.130 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC3(CC2)c2ccccc2N=C3C)c1 ZINC000898248675 1102190366 /nfs/dbraw/zinc/19/03/66/1102190366.db2.gz RNUJPNOGWGGHDE-UHFFFAOYSA-N -1 3 366.486 4.394 20 0 FIADHM Cc1ccc(-c2nc(CNC[C@@H](CC(=O)[O-])c3ccccc3)cs2)cc1 ZINC000426636762 1102211585 /nfs/dbraw/zinc/21/15/85/1102211585.db2.gz IIHWATXEULBJCI-GOSISDBHSA-N -1 3 366.486 4.467 20 0 FIADHM Cc1sc2nc(-c3ccc(COCC(F)(F)F)cc3)[n-]c(=O)c2c1C ZINC000053843367 1102212327 /nfs/dbraw/zinc/21/23/27/1102212327.db2.gz RTWJDFSJGWKJKB-UHFFFAOYSA-N -1 3 368.380 4.347 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)c1nccs1 ZINC000440417963 1102287742 /nfs/dbraw/zinc/28/77/42/1102287742.db2.gz RWVOVMFTKQJLJW-CQSZACIVSA-N -1 3 366.895 4.379 20 0 FIADHM O=C(NCc1ncccc1[O-])[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000473633682 1102337448 /nfs/dbraw/zinc/33/74/48/1102337448.db2.gz KWBLZZNUUGRCEP-IBGZPJMESA-N -1 3 368.433 4.076 20 0 FIADHM CCCCSc1ccc(Cl)cc1C(=O)NCc1ncccc1[O-] ZINC000473636982 1102349916 /nfs/dbraw/zinc/34/99/16/1102349916.db2.gz IBOQSGAJLAOZKJ-UHFFFAOYSA-N -1 3 350.871 4.263 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000473637494 1102352241 /nfs/dbraw/zinc/35/22/41/1102352241.db2.gz VNZKMXRDSVDUCS-UHFFFAOYSA-N -1 3 360.822 4.115 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000473640018 1102357502 /nfs/dbraw/zinc/35/75/02/1102357502.db2.gz FMENXCYBGPFKIL-UHFFFAOYSA-N -1 3 372.346 4.403 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nc(C)cs1 ZINC000104759538 1102373740 /nfs/dbraw/zinc/37/37/40/1102373740.db2.gz SFDOJOPOUIYDBF-SNVBAGLBSA-N -1 3 365.307 4.188 20 0 FIADHM CCSc1nnc([N-]C(=O)c2ncccc2Oc2ccccc2)s1 ZINC000440440910 1102373897 /nfs/dbraw/zinc/37/38/97/1102373897.db2.gz FBTIFMJIEBDPQC-UHFFFAOYSA-N -1 3 358.448 4.090 20 0 FIADHM C[C@@H](Oc1cccc([O-])c1Br)c1cc(Br)no1 ZINC001229140680 1102636098 /nfs/dbraw/zinc/63/60/98/1102636098.db2.gz CPRXIAILSUXLEE-ZCFIWIBFSA-N -1 3 363.005 4.045 20 0 FIADHM Cc1cc2cc(NC(=O)NCc3ccc([O-])c(Br)c3)ccc2[nH]1 ZINC000122965519 1102709820 /nfs/dbraw/zinc/70/98/20/1102709820.db2.gz VQXFVDHBBVKTQI-UHFFFAOYSA-N -1 3 374.238 4.266 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nc(-c2ccncc2)cs1 ZINC000550934331 1102714661 /nfs/dbraw/zinc/71/46/61/1102714661.db2.gz FBXRWSJWOVQFBY-JTQLQIEISA-N -1 3 359.838 4.055 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cnc2ccc(F)cc2c1 ZINC000533925188 1102820724 /nfs/dbraw/zinc/82/07/24/1102820724.db2.gz PMAXHWHPRRSKRA-UHFFFAOYSA-N -1 3 361.170 4.094 20 0 FIADHM Cc1ccc(F)cc1CN[C@@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000551054944 1102868714 /nfs/dbraw/zinc/86/87/14/1102868714.db2.gz GOUJDIHBQVCAGK-INIZCTEOSA-N -1 3 355.331 4.459 20 0 FIADHM CC12CC3(C)CC(C)(C1)CC(C(=O)N=c1cc([C@@H]4CCCO4)[n-][nH]1)(C2)C3 ZINC000473844048 1102906316 /nfs/dbraw/zinc/90/63/16/1102906316.db2.gz AISOORKTYJLDMI-GSEWJITGSA-N -1 3 357.498 4.008 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1c(C)cc(Br)cc1C ZINC000112334938 1102913168 /nfs/dbraw/zinc/91/31/68/1102913168.db2.gz PBECXKMHXRKUGW-UHFFFAOYSA-N -1 3 354.269 4.175 20 0 FIADHM Cc1ccc([C@H](NCc2ccc(Cl)c(Br)c2)C(=O)[O-])cc1 ZINC000426683899 1102918454 /nfs/dbraw/zinc/91/84/54/1102918454.db2.gz WFNQJNCWBRNFJO-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1[N-]C(=O)c1cocn1 ZINC000729650015 1102922338 /nfs/dbraw/zinc/92/23/38/1102922338.db2.gz KMQGAOCSGDMVDB-UHFFFAOYSA-N -1 3 370.430 4.449 20 0 FIADHM O=C([O-])[C@@H](CNCc1coc(-c2ccccc2)n1)Cc1ccccc1Cl ZINC000426700910 1102929456 /nfs/dbraw/zinc/92/94/56/1102929456.db2.gz WAWKWYJCQRNLGP-MRXNPFEDSA-N -1 3 370.836 4.028 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Br)cc1F)c1ccccc1 ZINC000426718077 1102938403 /nfs/dbraw/zinc/93/84/03/1102938403.db2.gz UYPGGZQBCDYEOU-ZBEGNZNMSA-N -1 3 366.230 4.140 20 0 FIADHM CC(C)(C)c1nc(CNC[C@@H](Cc2ccccc2Cl)C(=O)[O-])cs1 ZINC000426707532 1102944895 /nfs/dbraw/zinc/94/48/95/1102944895.db2.gz AKCQAGNUUAQMJA-CYBMUJFWSA-N -1 3 366.914 4.127 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(-c2ccccn2)c1)c1cccc(Cl)c1 ZINC000426728041 1102962668 /nfs/dbraw/zinc/96/26/68/1102962668.db2.gz SJEFIRMDDGCQLJ-LJQANCHMSA-N -1 3 352.821 4.318 20 0 FIADHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OC ZINC000426753089 1102968007 /nfs/dbraw/zinc/96/80/07/1102968007.db2.gz GSTOZCMMABQDPA-HXUWFJFHSA-N -1 3 357.450 4.016 20 0 FIADHM CCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426752170 1102968223 /nfs/dbraw/zinc/96/82/23/1102968223.db2.gz BBCOOPVOSMUOHS-QGZVFWFLSA-N -1 3 351.805 4.183 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000426752275 1102969577 /nfs/dbraw/zinc/96/95/77/1102969577.db2.gz BYJLGMGYWOUZMX-BDJLRTHQSA-N -1 3 355.331 4.396 20 0 FIADHM Cc1cc(C)cc([C@@H](NCc2ccc(OC(F)F)c(Cl)c2)C(=O)[O-])c1 ZINC000426757087 1102971164 /nfs/dbraw/zinc/97/11/64/1102971164.db2.gz NNELFCFQNHRKSZ-MRXNPFEDSA-N -1 3 369.795 4.474 20 0 FIADHM CCCc1cccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c1 ZINC000426759757 1102973164 /nfs/dbraw/zinc/97/31/64/1102973164.db2.gz OKAYMHOSUDMRKW-NRFANRHFSA-N -1 3 363.461 4.130 20 0 FIADHM O=C(CCCc1cc(Cl)sc1Cl)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473851088 1102999639 /nfs/dbraw/zinc/99/96/39/1102999639.db2.gz ANEPHTXLVWATBV-NSHDSACASA-N -1 3 374.293 4.013 20 0 FIADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1Oc1cccnc1 ZINC000426809334 1103005939 /nfs/dbraw/zinc/00/59/39/1103005939.db2.gz CYSBAOOJHSPFMI-FQEVSTJZSA-N -1 3 366.392 4.237 20 0 FIADHM COC(=O)c1sc(-c2ccccc2Cl)cc1[N-]C(=O)c1cocn1 ZINC000105369915 1103006613 /nfs/dbraw/zinc/00/66/13/1103006613.db2.gz HUORMASHHUCVQV-UHFFFAOYSA-N -1 3 362.794 4.095 20 0 FIADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1OCCC(C)C ZINC000426816303 1103011246 /nfs/dbraw/zinc/01/12/46/1103011246.db2.gz JYOCFCFNPXIDRD-HXUWFJFHSA-N -1 3 357.450 4.036 20 0 FIADHM O=C([O-])C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1cccc(Cl)c1 ZINC000426818258 1103012950 /nfs/dbraw/zinc/01/29/50/1103012950.db2.gz RJSBNGDSEMMGBB-KRWDZBQOSA-N -1 3 355.825 4.036 20 0 FIADHM COc1cccc2cc(C(=O)[N-]c3nnc(/C=C/c4ccco4)s3)oc21 ZINC000152439599 1103054958 /nfs/dbraw/zinc/05/49/58/1103054958.db2.gz NADUUFGFIISKGQ-BQYQJAHWSA-N -1 3 367.386 4.309 20 0 FIADHM CN(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(Cl)c1 ZINC000532840847 1103265051 /nfs/dbraw/zinc/26/50/51/1103265051.db2.gz ZHWZULZOHSZUII-UHFFFAOYSA-N -1 3 368.220 4.045 20 0 FIADHM CCCCCn1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c2ccccc21 ZINC000473854699 1103283105 /nfs/dbraw/zinc/28/31/05/1103283105.db2.gz YZALZWXAUYFPIZ-IBGZPJMESA-N -1 3 366.465 4.080 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2csc(-c3ccc(OC)cc3)n2)n1 ZINC000477353313 1103391568 /nfs/dbraw/zinc/39/15/68/1103391568.db2.gz OILUEQHYFPKIPA-UHFFFAOYSA-N -1 3 373.503 4.310 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n1 ZINC000477354876 1103393820 /nfs/dbraw/zinc/39/38/20/1103393820.db2.gz PJXJTSYKOFIWDP-LLVKDONJSA-N -1 3 374.441 4.237 20 0 FIADHM CN(Cc1c(F)ccc([O-])c1F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000507522907 1103467691 /nfs/dbraw/zinc/46/76/91/1103467691.db2.gz ABXPBVDORZGTEC-DOTOQJQBSA-N -1 3 374.214 4.067 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(Cl)cc1F ZINC000507585943 1103514692 /nfs/dbraw/zinc/51/46/92/1103514692.db2.gz SHVWLRIBZPLBKB-UHFFFAOYSA-N -1 3 368.739 4.002 20 0 FIADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000520018863 1104025936 /nfs/dbraw/zinc/02/59/36/1104025936.db2.gz GTHVRWVVZYQATN-UHFFFAOYSA-N -1 3 374.506 4.378 20 0 FIADHM O=C(CCOc1ccccc1Cl)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440977102 1104060250 /nfs/dbraw/zinc/06/02/50/1104060250.db2.gz AQBGKYJARGPXPF-UHFFFAOYSA-N -1 3 359.731 4.472 20 0 FIADHM O=C(CCCOc1ccccc1F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000441003799 1104069944 /nfs/dbraw/zinc/06/99/44/1104069944.db2.gz OKQKCLQYUGEWMI-UHFFFAOYSA-N -1 3 357.303 4.348 20 0 FIADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000538299216 1104118493 /nfs/dbraw/zinc/11/84/93/1104118493.db2.gz UQDGBJZDTNWWOC-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000050534531 1104378242 /nfs/dbraw/zinc/37/82/42/1104378242.db2.gz GWXKVXJLEOEVNF-UHFFFAOYSA-N -1 3 372.471 4.397 20 0 FIADHM Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000188493456 1104649561 /nfs/dbraw/zinc/64/95/61/1104649561.db2.gz YQSXPCYOCVMNHT-UHFFFAOYSA-N -1 3 363.751 4.070 20 0 FIADHM Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000544324819 1104678928 /nfs/dbraw/zinc/67/89/28/1104678928.db2.gz GUXRHZHLEZYRSX-UHFFFAOYSA-N -1 3 361.373 4.058 20 0 FIADHM Cc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1[O-] ZINC000188766645 1104749157 /nfs/dbraw/zinc/74/91/57/1104749157.db2.gz RTPRRDQHUDDNNR-CYBMUJFWSA-N -1 3 361.825 4.022 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc(F)ccc1F ZINC000189774370 1104843033 /nfs/dbraw/zinc/84/30/33/1104843033.db2.gz VVIQRMLANQVWGW-UHFFFAOYSA-N -1 3 365.792 4.313 20 0 FIADHM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC000057497816 1104933557 /nfs/dbraw/zinc/93/35/57/1104933557.db2.gz HCWALERQIAMJEQ-UHFFFAOYSA-N -1 3 374.506 4.296 20 0 FIADHM CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000417556697 1104969124 /nfs/dbraw/zinc/96/91/24/1104969124.db2.gz PNDNBQRWZUUAKB-MRXNPFEDSA-N -1 3 351.805 4.183 20 0 FIADHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000520565002 1105001593 /nfs/dbraw/zinc/00/15/93/1105001593.db2.gz ZACBYOOHWXALKC-UKRRQHHQSA-N -1 3 361.388 4.442 20 0 FIADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000417616944 1105017318 /nfs/dbraw/zinc/01/73/18/1105017318.db2.gz HUPIXDDOELSVSK-GOEBONIOSA-N -1 3 353.315 4.247 20 0 FIADHM O=C(CCn1c2ccccc2nc1C1CC1)Nc1c([O-])cccc1Cl ZINC000520608245 1105039847 /nfs/dbraw/zinc/03/98/47/1105039847.db2.gz WHZRZKOVDKMTSJ-UHFFFAOYSA-N -1 3 355.825 4.302 20 0 FIADHM CCCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1OC ZINC000417672436 1105062624 /nfs/dbraw/zinc/06/26/24/1105062624.db2.gz STIGUJWAWWPSGA-UHFFFAOYSA-N -1 3 357.450 4.171 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1-c1ccncc1 ZINC000427627288 1105144939 /nfs/dbraw/zinc/14/49/39/1105144939.db2.gz ZCQGJQPVNRQMGJ-UHFFFAOYSA-N -1 3 356.422 4.305 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)c1ccsc1 ZINC000508188648 1105345890 /nfs/dbraw/zinc/34/58/90/1105345890.db2.gz XFSBVBDWFURIFN-NSHDSACASA-N -1 3 373.780 4.123 20 0 FIADHM CC(C)(C)c1cccc(OCCCN2CCc3occc3[C@H]2C(=O)[O-])c1 ZINC000530167712 1106872145 /nfs/dbraw/zinc/87/21/45/1106872145.db2.gz YUKXESQTASHEMP-IBGZPJMESA-N -1 3 357.450 4.030 20 0 FIADHM Cc1cc(Br)c(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1Cl ZINC000530166547 1106872621 /nfs/dbraw/zinc/87/26/21/1106872621.db2.gz QFUKTYFOMZWCLT-INIZCTEOSA-N -1 3 374.706 4.344 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H]3CCCc4ccccc43)nc2)n1 ZINC000301191497 1106959027 /nfs/dbraw/zinc/95/90/27/1106959027.db2.gz ZLHJSUNWJVUQJA-MRXNPFEDSA-N -1 3 360.461 4.339 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@](C)(c4ccccc4)C3)nc2)n1 ZINC000301245201 1106971626 /nfs/dbraw/zinc/97/16/26/1106971626.db2.gz AZTLXBDDGDQAKZ-QHCPKHFHSA-N -1 3 374.488 4.365 20 0 FIADHM Cc1nc(-c2ccc(N[C@H](C)c3ccc(F)cc3F)nc2)[n-]c(=O)c1C ZINC000301363782 1107003558 /nfs/dbraw/zinc/00/35/58/1107003558.db2.gz PHYVQPHOQKLIKU-GFCCVEGCSA-N -1 3 356.376 4.312 20 0 FIADHM CC[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001626412582 1107153773 /nfs/dbraw/zinc/15/37/73/1107153773.db2.gz ZMTNGYHXFFBSIY-ZJUUUORDSA-N -1 3 355.364 4.220 20 0 FIADHM COC(=O)c1sc([N-]c2c(C)nn(-c3ccccc3)c2C)nc1Cl ZINC000301932353 1107217306 /nfs/dbraw/zinc/21/73/06/1107217306.db2.gz OWAWOZGNZSCJHS-UHFFFAOYSA-N -1 3 362.842 4.129 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000530777759 1107313670 /nfs/dbraw/zinc/31/36/70/1107313670.db2.gz RLQMOYRULWIOIK-UWVGGRQHSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000530777755 1107314552 /nfs/dbraw/zinc/31/45/52/1107314552.db2.gz RJYYOVKLCILLSC-MNOVXSKESA-N -1 3 368.177 4.175 20 0 FIADHM CCc1cccc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1[O-] ZINC000530878543 1107380001 /nfs/dbraw/zinc/38/00/01/1107380001.db2.gz AYYPKOQRAKRLCR-UHFFFAOYSA-N -1 3 353.462 4.255 20 0 FIADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1NC(=O)NC(C)(C)C ZINC000530896570 1107386611 /nfs/dbraw/zinc/38/66/11/1107386611.db2.gz BDLYQEQBDINEHV-UHFFFAOYSA-N -1 3 359.401 4.012 20 0 FIADHM CCc1cccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1[O-] ZINC000530959186 1107423383 /nfs/dbraw/zinc/42/33/83/1107423383.db2.gz JYFAIPPBBHUEHJ-UHFFFAOYSA-N -1 3 371.864 4.343 20 0 FIADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000531155491 1107612745 /nfs/dbraw/zinc/61/27/45/1107612745.db2.gz RBGZCYACQDYBBE-UHFFFAOYSA-N -1 3 362.223 4.065 20 0 FIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000006213672 1107652372 /nfs/dbraw/zinc/65/23/72/1107652372.db2.gz MNVJWEUIYHUWMR-UHFFFAOYSA-N -1 3 374.506 4.158 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3ccc4c(c3)CCCC4)nc2)n1 ZINC000111107235 1107913319 /nfs/dbraw/zinc/91/33/19/1107913319.db2.gz ADEGHUWNFICWCI-HNNXBMFYSA-N -1 3 374.488 4.446 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccn(C)c1C1CCC1 ZINC000452749665 1107931239 /nfs/dbraw/zinc/93/12/39/1107931239.db2.gz MPSKWMCZQKBZBD-UHFFFAOYSA-N -1 3 363.255 4.321 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)c1scnc1C1CC1 ZINC000452757031 1107948383 /nfs/dbraw/zinc/94/83/83/1107948383.db2.gz PLILJTIOVYAUKE-UHFFFAOYSA-N -1 3 353.241 4.049 20 0 FIADHM CCCC(O)(CCC)CC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452757155 1107948498 /nfs/dbraw/zinc/94/84/98/1107948498.db2.gz PTQZBAKKVVOPRO-UHFFFAOYSA-N -1 3 358.276 4.123 20 0 FIADHM Cn1ccnc1SCc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000523340457 1108128124 /nfs/dbraw/zinc/12/81/24/1108128124.db2.gz XIOOCODRVHORAB-UHFFFAOYSA-N -1 3 373.865 4.324 20 0 FIADHM CN(c1ccccc1)c1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000523423721 1108194339 /nfs/dbraw/zinc/19/43/39/1108194339.db2.gz HLSDRYDWIZHMQT-UHFFFAOYSA-N -1 3 350.393 4.229 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4cccc(C)c4o3)cc2)n1 ZINC000523423474 1108194376 /nfs/dbraw/zinc/19/43/76/1108194376.db2.gz DMBVJCOEURSUNM-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCc2cccc(C)c2)[nH][n-]1 ZINC000523512448 1108273411 /nfs/dbraw/zinc/27/34/11/1108273411.db2.gz QOKIPRCGTIPLCZ-UHFFFAOYSA-N -1 3 369.852 4.040 20 0 FIADHM CCSc1ccccc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000532078052 1108642662 /nfs/dbraw/zinc/64/26/62/1108642662.db2.gz NPJLSLVXNKIFQU-UHFFFAOYSA-N -1 3 359.401 4.141 20 0 FIADHM CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1[O-] ZINC000193968923 1108801722 /nfs/dbraw/zinc/80/17/22/1108801722.db2.gz TUWMEJOVFKQWGE-UHFFFAOYSA-N -1 3 371.824 4.148 20 0 FIADHM Cc1csc(-c2cccc(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)c2)n1 ZINC000524147372 1108858737 /nfs/dbraw/zinc/85/87/37/1108858737.db2.gz IXYLFIMMAODWDY-UHFFFAOYSA-N -1 3 374.469 4.491 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccco1 ZINC000445717139 1108963579 /nfs/dbraw/zinc/96/35/79/1108963579.db2.gz ZWRDZQGHRRBKSY-KRWDZBQOSA-N -1 3 365.813 4.140 20 0 FIADHM Cc1cc(Cl)cc2cc(-c3noc(Cc4c(C)nc(C)[n-]c4=O)n3)oc21 ZINC000445725084 1108965686 /nfs/dbraw/zinc/96/56/86/1108965686.db2.gz PXVDSKQWLHBVMG-UHFFFAOYSA-N -1 3 370.796 4.148 20 0 FIADHM COc1cc(-c2nc(-c3cc4cc(C)ccc4o3)no2)cc(OC)c1[O-] ZINC000445758668 1108981167 /nfs/dbraw/zinc/98/11/67/1108981167.db2.gz KODOUCQPEFXZCB-UHFFFAOYSA-N -1 3 352.346 4.181 20 0 FIADHM COC(=O)c1ccc(F)c([N-]C(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000524657928 1109109010 /nfs/dbraw/zinc/10/90/10/1109109010.db2.gz IUYAZRMMOJTXOV-UHFFFAOYSA-N -1 3 374.755 4.173 20 0 FIADHM Cc1ccc2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)[n-]c(=O)c2c1 ZINC000447134748 1109456118 /nfs/dbraw/zinc/45/61/18/1109456118.db2.gz XTNFTZNUOCTGGV-UHFFFAOYSA-N -1 3 354.772 4.289 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c(C)s1 ZINC000447273291 1109485975 /nfs/dbraw/zinc/48/59/75/1109485975.db2.gz GRCKRRDHGZWJLF-UHFFFAOYSA-N -1 3 369.361 4.045 20 0 FIADHM O=C(c1cccc2n[n-]nc21)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000526115522 1109625109 /nfs/dbraw/zinc/62/51/09/1109625109.db2.gz SVFWRYXUAOMLHX-UHFFFAOYSA-N -1 3 352.781 4.051 20 0 FIADHM CC(C)(C)c1nc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2s1 ZINC000526115101 1109625127 /nfs/dbraw/zinc/62/51/27/1109625127.db2.gz LYEBUADBGFFNMV-UHFFFAOYSA-N -1 3 351.435 4.117 20 0 FIADHM O=C(N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)c1cccc2n[n-]nc21 ZINC000526119982 1109626178 /nfs/dbraw/zinc/62/61/78/1109626178.db2.gz MCMMAEQPBNHDCQ-DOMZBBRYSA-N -1 3 374.366 4.043 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c([O-])c1 ZINC000447714002 1109631302 /nfs/dbraw/zinc/63/13/02/1109631302.db2.gz KDOVDTWAHJSSRT-UHFFFAOYSA-N -1 3 369.436 4.390 20 0 FIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447774633 1109640572 /nfs/dbraw/zinc/64/05/72/1109640572.db2.gz CNXWKIWBVWVNEL-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](c1ccccc1)C(F)(F)F ZINC000527038723 1109673661 /nfs/dbraw/zinc/67/36/61/1109673661.db2.gz OQHAEHZEJQSIEY-KRWDZBQOSA-N -1 3 355.331 4.274 20 0 FIADHM O=C(N[C@H](c1cccs1)C1CC1)c1cc([O-])cc(Br)c1 ZINC000527784138 1109823734 /nfs/dbraw/zinc/82/37/34/1109823734.db2.gz ANRDMTYLYYWABN-AWEZNQCLSA-N -1 3 352.253 4.097 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)C(F)(F)CC)nc2)n1 ZINC000528182528 1109928664 /nfs/dbraw/zinc/92/86/64/1109928664.db2.gz OAGCCICNMKHERN-UHFFFAOYSA-N -1 3 350.413 4.290 20 0 FIADHM Cc1ccnc(C(C)(C)c2noc(-c3ccc4c(c3[O-])OC(C)(C)C4)n2)c1 ZINC000528266031 1109949276 /nfs/dbraw/zinc/94/92/76/1109949276.db2.gz IYZKVIUMFNIOAL-UHFFFAOYSA-N -1 3 365.433 4.185 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1c(F)ccc(SCC2CC2)c1F ZINC000449916556 1110200036 /nfs/dbraw/zinc/20/00/36/1110200036.db2.gz XMWFLCHLYPTCPN-UHFFFAOYSA-N -1 3 367.392 4.242 20 0 FIADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc2cc(F)ccc2o1 ZINC000152585421 1111104801 /nfs/dbraw/zinc/10/48/01/1111104801.db2.gz PWVVSWJUXQTULL-GQCTYLIASA-N -1 3 355.350 4.439 20 0 FIADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000461435552 1111220767 /nfs/dbraw/zinc/22/07/67/1111220767.db2.gz YEDRHUOKUMJYRR-QROBEVECSA-N -1 3 366.848 4.309 20 0 FIADHM Cc1ccc(-c2nc(C(=O)[N-]c3cc(-c4ccccc4)on3)cs2)o1 ZINC000461645236 1111306062 /nfs/dbraw/zinc/30/60/62/1111306062.db2.gz HKFXMRNMXJMURY-UHFFFAOYSA-N -1 3 351.387 4.041 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccsc2)c2ccc(Cl)cc2)o1 ZINC000539106893 1111425404 /nfs/dbraw/zinc/42/54/04/1111425404.db2.gz GSPPPXOLETVCOB-INIZCTEOSA-N -1 3 367.879 4.371 20 0 FIADHM O=C([N-]c1nc(-c2cccc(F)c2)cs1)c1cc(-c2ccccn2)no1 ZINC000462106881 1111494873 /nfs/dbraw/zinc/49/48/73/1111494873.db2.gz VRRKTYTUENPUSY-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c1Cl ZINC000615152019 1111520893 /nfs/dbraw/zinc/52/08/93/1111520893.db2.gz WKSNXZQGGAVQKX-UHFFFAOYSA-N -1 3 354.642 4.027 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc3cc(Br)ccc3o2)c1[O-] ZINC000552285771 1111649083 /nfs/dbraw/zinc/64/90/83/1111649083.db2.gz CRQISTBKINDSDW-UHFFFAOYSA-N -1 3 374.190 4.356 20 0 FIADHM CC[C@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000478267018 1111731189 /nfs/dbraw/zinc/73/11/89/1111731189.db2.gz RXCINEZONFXAAK-AWEZNQCLSA-N -1 3 360.479 4.171 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000478913103 1111916221 /nfs/dbraw/zinc/91/62/21/1111916221.db2.gz TUYAFTQZDNOEKI-MRXNPFEDSA-N -1 3 368.481 4.448 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC[C@H](C)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000479600459 1112082907 /nfs/dbraw/zinc/08/29/07/1112082907.db2.gz QSNSVTXQCYMDQK-VBQJREDUSA-N -1 3 368.481 4.351 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1(c2ccccc2)CCCC1 ZINC000479761780 1112134409 /nfs/dbraw/zinc/13/44/09/1112134409.db2.gz CMBFBPVECOGMDI-MRXNPFEDSA-N -1 3 360.457 4.158 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)o[n-]1)c1cc(-c2ccccc2Cl)on1 ZINC000479837312 1112158791 /nfs/dbraw/zinc/15/87/91/1112158791.db2.gz FGVWSBFSEXOXEK-UHFFFAOYSA-N -1 3 365.776 4.324 20 0 FIADHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc2cc(Cl)ccc2o1 ZINC000554634424 1112424424 /nfs/dbraw/zinc/42/44/24/1112424424.db2.gz YUKHUWNGFJALFZ-UHFFFAOYSA-N -1 3 363.826 4.084 20 0 FIADHM CC(C)c1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(C(C)C)c1 ZINC000480468797 1112435312 /nfs/dbraw/zinc/43/53/12/1112435312.db2.gz CFZCYUPSOAKOSU-UHFFFAOYSA-N -1 3 369.391 4.392 20 0 FIADHM CCOc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1OCC ZINC000554940227 1112581748 /nfs/dbraw/zinc/58/17/48/1112581748.db2.gz FGJQXNLHQGBEKY-GFCCVEGCSA-N -1 3 363.841 4.334 20 0 FIADHM Cc1ccc(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c([O-])c1 ZINC000156567087 1112610340 /nfs/dbraw/zinc/61/03/40/1112610340.db2.gz XWEALUIMMPMYQH-UHFFFAOYSA-N -1 3 360.841 4.087 20 0 FIADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1n[nH]c(-c2cccc3ccccc32)n1 ZINC000481602349 1112995656 /nfs/dbraw/zinc/99/56/56/1112995656.db2.gz WSBKRSMKLVXTDY-UHFFFAOYSA-N -1 3 361.405 4.297 20 0 FIADHM Cc1nc(-c2ccccc2C)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000481779889 1113077928 /nfs/dbraw/zinc/07/79/28/1113077928.db2.gz ARDIDBARVTZGFX-UHFFFAOYSA-N -1 3 356.422 4.202 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1C ZINC000556048085 1113124816 /nfs/dbraw/zinc/12/48/16/1113124816.db2.gz WKVIHZCBRDSKAZ-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM CCc1ccc([C@@H]2CN(C(=O)CCCc3ccc([O-])c(F)c3)CCO2)cc1 ZINC000482062210 1113164305 /nfs/dbraw/zinc/16/43/05/1113164305.db2.gz QZLSZVZNSCVERR-NRFANRHFSA-N -1 3 371.452 4.017 20 0 FIADHM COc1ccc(-c2cc3[n-]c(CN4CC[C@H](C)[C@@H]4C)nc(=O)c3s2)cc1 ZINC000253551309 1113369359 /nfs/dbraw/zinc/36/93/59/1113369359.db2.gz MPVBLKPXBARYPA-STQMWFEESA-N -1 3 369.490 4.303 20 0 FIADHM O=c1cc(C=Cc2csc(-c3ccsc3)n2)nc(-c2ccncc2)[n-]1 ZINC000486010234 1113485931 /nfs/dbraw/zinc/48/59/31/1113485931.db2.gz WWZBKWRGRNYXAL-OWOJBTEDSA-N -1 3 364.455 4.187 20 0 FIADHM COc1cccc(-c2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)cs2)c1 ZINC000486104630 1113506412 /nfs/dbraw/zinc/50/64/12/1113506412.db2.gz QJHLFMNSZRZKOQ-BQYQJAHWSA-N -1 3 351.431 4.362 20 0 FIADHM O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000907545347 1113557651 /nfs/dbraw/zinc/55/76/51/1113557651.db2.gz HXXJFLRKUUEPER-UHFFFAOYSA-N -1 3 373.840 4.287 20 0 FIADHM O=C(NCc1cccc(COCC(F)(F)F)c1)c1cc([O-])ccc1Cl ZINC000486740906 1113631728 /nfs/dbraw/zinc/63/17/28/1113631728.db2.gz JUJJXMVQXAMRTH-UHFFFAOYSA-N -1 3 373.758 4.055 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)sc3[nH]2)c([O-])c1 ZINC000486799420 1113649376 /nfs/dbraw/zinc/64/93/76/1113649376.db2.gz HLGKTKIVIXCVKE-UHFFFAOYSA-N -1 3 364.810 4.017 20 0 FIADHM O=c1nc(CSc2nc3c([nH]2)CCC3)[n-]c2scc(-c3ccco3)c21 ZINC000487870153 1113816461 /nfs/dbraw/zinc/81/64/61/1113816461.db2.gz HCZAARSBRFHBKH-UHFFFAOYSA-N -1 3 370.459 4.161 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000668865819 1113968322 /nfs/dbraw/zinc/96/83/22/1113968322.db2.gz FOOJRYZHSVWGME-UHFFFAOYSA-N -1 3 373.318 4.071 20 0 FIADHM CC(=O)Nc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1C(F)(F)F ZINC000507698546 1114036458 /nfs/dbraw/zinc/03/64/58/1114036458.db2.gz QETAEZXCDMZZQX-UHFFFAOYSA-N -1 3 361.323 4.288 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000489155133 1114061719 /nfs/dbraw/zinc/06/17/19/1114061719.db2.gz HKOQHZVDZJAQPU-LBPRGKRZSA-N -1 3 354.834 4.123 20 0 FIADHM CC(C)(C)c1nc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cs1 ZINC000588015492 1114513259 /nfs/dbraw/zinc/51/32/59/1114513259.db2.gz YRBIQCWDOOELKX-UHFFFAOYSA-N -1 3 358.492 4.135 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000572006757 1114598158 /nfs/dbraw/zinc/59/81/58/1114598158.db2.gz JLMQZYPWWDRGCW-NVXWUHKLSA-N -1 3 358.265 4.012 20 0 FIADHM CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC001626002516 1114630718 /nfs/dbraw/zinc/63/07/18/1114630718.db2.gz LCIBGNGOPRIEDQ-UHFFFAOYSA-N -1 3 370.251 4.475 20 0 FIADHM Cc1nnc([N-]C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)s1 ZINC000589895062 1114854837 /nfs/dbraw/zinc/85/48/37/1114854837.db2.gz VIRXFPRFBCFKJQ-UHFFFAOYSA-N -1 3 369.406 4.018 20 0 FIADHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000590264861 1114917793 /nfs/dbraw/zinc/91/77/93/1114917793.db2.gz RDSLZAVAZUUAPK-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000591388316 1115067608 /nfs/dbraw/zinc/06/76/08/1115067608.db2.gz HFSJCUXIRSCGKX-AWEZNQCLSA-N -1 3 361.360 4.106 20 0 FIADHM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000591402740 1115078162 /nfs/dbraw/zinc/07/81/62/1115078162.db2.gz TUYJHIXOIMFOQP-LJQANCHMSA-N -1 3 374.444 4.275 20 0 FIADHM Cc1ccc2c(Cl)c(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)sc2c1 ZINC000591451390 1115081291 /nfs/dbraw/zinc/08/12/91/1115081291.db2.gz YGZYQKMKWNWVFN-UHFFFAOYSA-N -1 3 368.849 4.322 20 0 FIADHM CCc1cccc(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1[O-] ZINC000573339882 1115096798 /nfs/dbraw/zinc/09/67/98/1115096798.db2.gz HDEJFINRJJGCDS-UHFFFAOYSA-N -1 3 364.367 4.085 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c2ccccc12 ZINC000591683380 1115122388 /nfs/dbraw/zinc/12/23/88/1115122388.db2.gz FEMNXTNZQKDUBG-UHFFFAOYSA-N -1 3 367.348 4.067 20 0 FIADHM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000573654160 1115162520 /nfs/dbraw/zinc/16/25/20/1115162520.db2.gz KBHSRPHBCZOWCT-UHFFFAOYSA-N -1 3 372.490 4.349 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@H]4CCC[C@H]43)cc2)cc(=O)[n-]1 ZINC000574013831 1115230506 /nfs/dbraw/zinc/23/05/06/1115230506.db2.gz SSFUJMNDCIRAJP-FUHWJXTLSA-N -1 3 366.465 4.200 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@@H]4CCC[C@H]43)cc2)cc(=O)[n-]1 ZINC000574013832 1115230646 /nfs/dbraw/zinc/23/06/46/1115230646.db2.gz SSFUJMNDCIRAJP-SJLPKXTDSA-N -1 3 366.465 4.200 20 0 FIADHM CC[C@H](C)Oc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)ccc1OC ZINC000669482994 1115317372 /nfs/dbraw/zinc/31/73/72/1115317372.db2.gz ZYTWQXCYJOFMFR-HNNXBMFYSA-N -1 3 357.450 4.169 20 0 FIADHM O=C(Nc1cccc(CSC2CCCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594299485 1115410014 /nfs/dbraw/zinc/41/00/14/1115410014.db2.gz NIUKXQATEGFANY-UHFFFAOYSA-N -1 3 369.490 4.488 20 0 FIADHM CCOC(=O)[C@H](C)Cc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000594660551 1115476373 /nfs/dbraw/zinc/47/63/73/1115476373.db2.gz NAFGNHUBVDLOGF-LLVKDONJSA-N -1 3 372.371 4.022 20 0 FIADHM C[C@H](O)CCS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000596324023 1115584128 /nfs/dbraw/zinc/58/41/28/1115584128.db2.gz TXUJVGQJUSWJAR-UWVGGRQHSA-N -1 3 350.465 4.222 20 0 FIADHM C[C@H]1COCC[C@H]1c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000669609288 1115660650 /nfs/dbraw/zinc/66/06/50/1115660650.db2.gz LKUWNQMEIBNWHO-WMLDXEAASA-N -1 3 366.417 4.161 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc4c(s3)CCCC4)nc2)n1 ZINC000597917307 1115695105 /nfs/dbraw/zinc/69/51/05/1115695105.db2.gz WVRZHIKGQYNMKL-UHFFFAOYSA-N -1 3 366.490 4.359 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](Cc4ccccc4)C3)nc2)n1 ZINC000597939428 1115698060 /nfs/dbraw/zinc/69/80/60/1115698060.db2.gz JMDDRVVROBBKTE-GOSISDBHSA-N -1 3 374.488 4.266 20 0 FIADHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1cc(C)no1 ZINC000061049234 1115763023 /nfs/dbraw/zinc/76/30/23/1115763023.db2.gz LBRBEOFDXISBJZ-UHFFFAOYSA-N -1 3 370.430 4.449 20 0 FIADHM O=c1[n-]nc(SCCOC2CCCCCC2)n1CCc1ccccc1 ZINC000605364746 1115891673 /nfs/dbraw/zinc/89/16/73/1115891673.db2.gz YHQIYDDDMSUTSE-UHFFFAOYSA-N -1 3 361.511 4.058 20 0 FIADHM CC(=O)CCc1ccc2oc(C(=O)NCc3ccc([O-])c(F)c3)c(C)c2c1 ZINC000606537005 1115954051 /nfs/dbraw/zinc/95/40/51/1115954051.db2.gz RRTAINBFHUFAMZ-UHFFFAOYSA-N -1 3 369.392 4.038 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000606715016 1115965539 /nfs/dbraw/zinc/96/55/39/1115965539.db2.gz NATDXHJVIOUWNE-UHFFFAOYSA-N -1 3 358.388 4.059 20 0 FIADHM CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606714888 1115965594 /nfs/dbraw/zinc/96/55/94/1115965594.db2.gz LPNDAYPMCWDNIR-UHFFFAOYSA-N -1 3 357.212 4.180 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1Cl ZINC000606754295 1115967556 /nfs/dbraw/zinc/96/75/56/1115967556.db2.gz RMNHKVJQQOPZKV-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000606754286 1115967570 /nfs/dbraw/zinc/96/75/70/1115967570.db2.gz RHSCOTMXVIDAEO-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM CCc1ccccc1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000607024307 1115993177 /nfs/dbraw/zinc/99/31/77/1115993177.db2.gz DUBJRPUTXUYMDG-UHFFFAOYSA-N -1 3 362.433 4.042 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1 ZINC000607616625 1116049416 /nfs/dbraw/zinc/04/94/16/1116049416.db2.gz ATFFDSJEWOAPHJ-UHFFFAOYSA-N -1 3 351.493 4.305 20 0 FIADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(C(C)C)c3)cc2)n1 ZINC000607880597 1116069083 /nfs/dbraw/zinc/06/90/83/1116069083.db2.gz DWUHZOHNHKTDIU-UHFFFAOYSA-N -1 3 369.490 4.413 20 0 FIADHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000608004946 1116077752 /nfs/dbraw/zinc/07/77/52/1116077752.db2.gz XLAPGUWHMVHNTH-UHFFFAOYSA-N -1 3 351.443 4.246 20 0 FIADHM CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000063583065 1116084542 /nfs/dbraw/zinc/08/45/42/1116084542.db2.gz BTKHMNOIFWNEJL-UHFFFAOYSA-N -1 3 370.877 4.459 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1C ZINC000609016107 1116140579 /nfs/dbraw/zinc/14/05/79/1116140579.db2.gz XPDPQMQWZNGTNY-UHFFFAOYSA-N -1 3 365.520 4.100 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c3cccnc23)c([O-])c1 ZINC000534092620 1116157940 /nfs/dbraw/zinc/15/79/40/1116157940.db2.gz HAEYVHDELFXGLF-UHFFFAOYSA-N -1 3 370.792 4.023 20 0 FIADHM O=S(=O)([N-]C1CCC(F)(F)CC1)c1cc2cc(Cl)ccc2s1 ZINC000534132598 1116163157 /nfs/dbraw/zinc/16/31/57/1116163157.db2.gz LOWCHDKROKKWCE-UHFFFAOYSA-N -1 3 365.854 4.411 20 0 FIADHM Cc1csc([C@H]([N-]S(=O)(=O)c2csc3ccccc32)C2CC2)n1 ZINC000509450047 1116198772 /nfs/dbraw/zinc/19/87/72/1116198772.db2.gz HUYCVWXJYKRZHK-OAHLLOKOSA-N -1 3 364.517 4.096 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000534705011 1116227626 /nfs/dbraw/zinc/22/76/26/1116227626.db2.gz KDUOEIWGYFMSOK-UHFFFAOYSA-N -1 3 374.805 4.150 20 0 FIADHM CC1(CC(F)(F)F)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000457113664 1116249119 /nfs/dbraw/zinc/24/91/19/1116249119.db2.gz IHZVHQVQZQMOHG-UHFFFAOYSA-N -1 3 363.379 4.398 20 0 FIADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1F ZINC000534902062 1116250353 /nfs/dbraw/zinc/25/03/53/1116250353.db2.gz IDVHIZDTYXFXBR-UHFFFAOYSA-N -1 3 357.765 4.474 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457267555 1116261263 /nfs/dbraw/zinc/26/12/63/1116261263.db2.gz CZJHBNXFLJGKCK-OAQYLSRUSA-N -1 3 358.441 4.286 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000462379111 1116341942 /nfs/dbraw/zinc/34/19/42/1116341942.db2.gz IMAACJQZQPJZPX-INIZCTEOSA-N -1 3 358.507 4.156 20 0 FIADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C)on1 ZINC000462392812 1116343854 /nfs/dbraw/zinc/34/38/54/1116343854.db2.gz ISKUNBGWNUYDHC-UHFFFAOYSA-N -1 3 356.875 4.019 20 0 FIADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C)cc2Cl)on1 ZINC000462393157 1116344042 /nfs/dbraw/zinc/34/40/42/1116344042.db2.gz KGVVBQMXKVDPMB-UHFFFAOYSA-N -1 3 356.875 4.019 20 0 FIADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC000669841075 1116374458 /nfs/dbraw/zinc/37/44/58/1116374458.db2.gz FHTRIOFUQZQTAZ-UHFFFAOYSA-N -1 3 353.871 4.383 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000539841785 1116389269 /nfs/dbraw/zinc/38/92/69/1116389269.db2.gz KLCUTPBIJZVPIL-LJQANCHMSA-N -1 3 363.461 4.209 20 0 FIADHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000462707227 1116394369 /nfs/dbraw/zinc/39/43/69/1116394369.db2.gz VDWKKFOOIPFBAF-SNVBAGLBSA-N -1 3 362.278 4.194 20 0 FIADHM Cc1nc(C)c(CC(=O)N[C@@H](C)c2ccc(Cl)c3ccccc32)c(=O)[n-]1 ZINC000462841440 1117799697 /nfs/dbraw/zinc/79/96/97/1117799697.db2.gz VHHBSAVUNOSUSV-NSHDSACASA-N -1 3 369.852 4.026 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3C[C@H]4CC[C@@H](C3)S4)c2)n1 ZINC000888263780 1117860526 /nfs/dbraw/zinc/86/05/26/1117860526.db2.gz FDVYQVHLRYTGAT-FUCXHRTASA-N -1 3 369.490 4.024 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CCc3ccc(C)o3)nc2)n1 ZINC000463076250 1117958881 /nfs/dbraw/zinc/95/88/81/1117958881.db2.gz IXIPMPYTYLMGNA-ZDUSSCGKSA-N -1 3 352.438 4.141 20 0 FIADHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)o1 ZINC000463163534 1117990085 /nfs/dbraw/zinc/99/00/85/1117990085.db2.gz MGRBDYYGIDCMGW-UHFFFAOYSA-N -1 3 369.233 4.346 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3/C=C/c3ccccc3)nc2)n1 ZINC000540940397 1118321281 /nfs/dbraw/zinc/32/12/81/1118321281.db2.gz JJQINVJPATURRQ-XETPZZHUSA-N -1 3 372.472 4.489 20 0 FIADHM Cc1ccccc1-c1nc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)cs1 ZINC000464640250 1118631312 /nfs/dbraw/zinc/63/13/12/1118631312.db2.gz YKOZDFNURRKJTI-UHFFFAOYSA-N -1 3 369.837 4.067 20 0 FIADHM Cc1cccc(C(=O)Nc2nnc(SCc3cccs3)s2)c1[O-] ZINC000302814514 1118688298 /nfs/dbraw/zinc/68/82/98/1118688298.db2.gz SKVQJJUUKWPCGM-UHFFFAOYSA-N -1 3 363.489 4.158 20 0 FIADHM Cc1c2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2ccc1F ZINC000465260674 1118903288 /nfs/dbraw/zinc/90/32/88/1118903288.db2.gz AXINTVNTEVQTSG-UHFFFAOYSA-N -1 3 354.366 4.046 20 0 FIADHM COCc1cc(C(=O)[N-]c2cc(C)ccc2SCC(F)(F)F)no1 ZINC000173612183 1119055575 /nfs/dbraw/zinc/05/55/75/1119055575.db2.gz FXSXBWCHQHJQEE-UHFFFAOYSA-N -1 3 360.357 4.036 20 0 FIADHM CC(C)C[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000174192764 1119101041 /nfs/dbraw/zinc/10/10/41/1119101041.db2.gz RMCHECLQEUOXNM-ZDUSSCGKSA-N -1 3 357.479 4.113 20 0 FIADHM O=C([N-]c1nc(-c2cccc(O)c2)cs1)c1c(F)c(F)cc(F)c1F ZINC000176604608 1119284678 /nfs/dbraw/zinc/28/46/78/1119284678.db2.gz HMJWVPRROWOIQY-UHFFFAOYSA-N -1 3 368.311 4.324 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000176726620 1119290908 /nfs/dbraw/zinc/29/09/08/1119290908.db2.gz FUCJMBSKNQWJEN-UHFFFAOYSA-N -1 3 368.188 4.081 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000177717522 1119347248 /nfs/dbraw/zinc/34/72/48/1119347248.db2.gz XOIQPJDCOGFEPH-UHFFFAOYSA-N -1 3 362.209 4.136 20 0 FIADHM C[C@@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)[C@@H]1C ZINC000177914128 1119360824 /nfs/dbraw/zinc/36/08/24/1119360824.db2.gz RFTDHZGDOUYEMW-VXGBXAGGSA-N -1 3 357.454 4.021 20 0 FIADHM Cc1nc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)c(C)s1 ZINC000178573286 1119396924 /nfs/dbraw/zinc/39/69/24/1119396924.db2.gz CJRZFPLEQVQQIC-UHFFFAOYSA-N -1 3 350.856 4.184 20 0 FIADHM O=c1[n-]c(SCc2ccccc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000009521348 1119447591 /nfs/dbraw/zinc/44/75/91/1119447591.db2.gz ABCSPEVRHFMMPD-UHFFFAOYSA-N -1 3 368.849 4.055 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000089102973 1119480361 /nfs/dbraw/zinc/48/03/61/1119480361.db2.gz VBEVJHYYSASWQG-UHFFFAOYSA-N -1 3 361.360 4.430 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186100572 1119705786 /nfs/dbraw/zinc/70/57/86/1119705786.db2.gz PEEUXVJOYZHUFC-UHFFFAOYSA-N -1 3 369.830 4.320 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2scc(C)c2Br)s1 ZINC000190872838 1119951994 /nfs/dbraw/zinc/95/19/94/1119951994.db2.gz VMPPDCINPPSPJQ-UHFFFAOYSA-N -1 3 360.302 4.265 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccccc1OC(F)F ZINC000195438289 1120159588 /nfs/dbraw/zinc/15/95/88/1120159588.db2.gz JZPHIIWOYIRMCJ-UHFFFAOYSA-N -1 3 368.188 4.396 20 0 FIADHM CC[C@H](c1ccc(Br)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226455655 1120216213 /nfs/dbraw/zinc/21/62/13/1120216213.db2.gz ARIKNFXNLHPMAI-XJKSGUPXSA-N -1 3 354.288 4.477 20 0 FIADHM CCOc1ccc(-c2noc(COC(=O)c3cc4ccsc4[n-]3)n2)cc1 ZINC000914890686 1120627826 /nfs/dbraw/zinc/62/78/26/1120627826.db2.gz CVGPEABIZCFLTE-UHFFFAOYSA-N -1 3 369.402 4.035 20 0 FIADHM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000914890282 1120628481 /nfs/dbraw/zinc/62/84/81/1120628481.db2.gz CUYBEBPFMFPLAD-SNVBAGLBSA-N -1 3 360.460 4.135 20 0 FIADHM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914892021 1120629626 /nfs/dbraw/zinc/62/96/26/1120629626.db2.gz XUOGBGHQSHGVLX-CQSZACIVSA-N -1 3 370.474 4.212 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000914892154 1120630550 /nfs/dbraw/zinc/63/05/50/1120630550.db2.gz SFXGKYMUYCXLCK-BJJXKVORSA-N -1 3 362.495 4.106 20 0 FIADHM CC(C)(C)OC(=O)NCc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000762311281 1120865697 /nfs/dbraw/zinc/86/56/97/1120865697.db2.gz FLGOJEWUWCRKNY-UHFFFAOYSA-N -1 3 367.405 4.134 20 0 FIADHM S=c1nc(-c2ccccn2)[n-]n1CN1CCCC[C@H]1c1ccccc1 ZINC000762467289 1120912159 /nfs/dbraw/zinc/91/21/59/1120912159.db2.gz QHGFDUFUWFRIQX-KRWDZBQOSA-N -1 3 351.479 4.187 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1OC ZINC000007109356 1120917230 /nfs/dbraw/zinc/91/72/30/1120917230.db2.gz MCFDODAFCUMWTH-AWEZNQCLSA-N -1 3 363.479 4.408 20 0 FIADHM CCCc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000064221253 1121052018 /nfs/dbraw/zinc/05/20/18/1121052018.db2.gz XHDBLHKQGNJZAH-LBPRGKRZSA-N -1 3 370.474 4.472 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c(C)c1 ZINC000031669268 1121089398 /nfs/dbraw/zinc/08/93/98/1121089398.db2.gz BWOWSZGJYGDYEN-UHFFFAOYSA-N -1 3 360.479 4.007 20 0 FIADHM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472016250 1121181135 /nfs/dbraw/zinc/18/11/35/1121181135.db2.gz FXQOLQNQJXWQHW-UHFFFAOYSA-N -1 3 374.400 4.027 20 0 FIADHM O=C(NCc1csc(-c2ccco2)n1)c1cc([O-])c2ccccc2c1 ZINC000472355327 1121218592 /nfs/dbraw/zinc/21/85/92/1121218592.db2.gz YYGXNNKYRJLVEG-UHFFFAOYSA-N -1 3 350.399 4.192 20 0 FIADHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1cc([O-])c2ccccc2c1 ZINC000472436951 1121241278 /nfs/dbraw/zinc/24/12/78/1121241278.db2.gz KBQULMNAXUJDOX-QGZVFWFLSA-N -1 3 364.420 4.083 20 0 FIADHM CCc1nc(-c2ccccc2NC(=O)c2cc([O-])c3ccccc3c2)n[nH]1 ZINC000472434662 1121241461 /nfs/dbraw/zinc/24/14/61/1121241461.db2.gz WCKPEOBNUKIXGL-UHFFFAOYSA-N -1 3 358.401 4.145 20 0 FIADHM C[C@H](c1ccsc1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000472503896 1121248775 /nfs/dbraw/zinc/24/87/75/1121248775.db2.gz QCYFEJJZLOJRGN-OAHLLOKOSA-N -1 3 366.486 4.126 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3CCCCCCC3)cc2)cc(=O)[n-]1 ZINC000915884874 1121323775 /nfs/dbraw/zinc/32/37/75/1121323775.db2.gz OPNHHQBDTXMLHN-UHFFFAOYSA-N -1 3 354.454 4.392 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]C2CCC(C)(C)CC2)sc1Br ZINC000094541821 1121426551 /nfs/dbraw/zinc/42/65/51/1121426551.db2.gz UNQIQMVGMNCGHJ-UHFFFAOYSA-N -1 3 366.346 4.066 20 0 FIADHM COc1cc(NC(=O)c2ccc(C)cc2[O-])ccc1NC(=O)OC(C)(C)C ZINC000916428927 1121495557 /nfs/dbraw/zinc/49/55/57/1121495557.db2.gz IYGJXOPXWQBFQS-UHFFFAOYSA-N -1 3 372.421 4.309 20 0 FIADHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061211641 1121511268 /nfs/dbraw/zinc/51/12/68/1121511268.db2.gz FNZOXTZUUQNJPW-LBPRGKRZSA-N -1 3 363.442 4.383 20 0 FIADHM CC(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)cc1 ZINC000061225044 1121511478 /nfs/dbraw/zinc/51/14/78/1121511478.db2.gz HFJBWFPBSWYWDE-UHFFFAOYSA-N -1 3 360.457 4.456 20 0 FIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000063147276 1121552388 /nfs/dbraw/zinc/55/23/88/1121552388.db2.gz LWDASBKEBFMMDR-UHFFFAOYSA-N -1 3 355.406 4.335 20 0 FIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000063442276 1121564032 /nfs/dbraw/zinc/56/40/32/1121564032.db2.gz FBKNSQQDIQAOJD-UHFFFAOYSA-N -1 3 363.479 4.026 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(Cc4ccccc4)CCC3)cc2)n1 ZINC000124358127 1121687328 /nfs/dbraw/zinc/68/73/28/1121687328.db2.gz OUFXMLISKDBURG-UHFFFAOYSA-N -1 3 373.456 4.097 20 0 FIADHM CC(=O)Nc1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1Cl ZINC000065621167 1121693907 /nfs/dbraw/zinc/69/39/07/1121693907.db2.gz XONOKPRMKGWFDK-UHFFFAOYSA-N -1 3 358.825 4.135 20 0 FIADHM Cc1[nH]c2ccc(C(=O)Nc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)cc2c1C ZINC000064374257 1121761227 /nfs/dbraw/zinc/76/12/27/1121761227.db2.gz KXSYMWPSSGIMBN-UHFFFAOYSA-N -1 3 372.428 4.096 20 0 FIADHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000125287394 1121765434 /nfs/dbraw/zinc/76/54/34/1121765434.db2.gz QZMRJIJWBGGPSP-NSHDSACASA-N -1 3 367.323 4.020 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(c4ccccc4C)CC3)nc2)n1 ZINC000068702614 1121840814 /nfs/dbraw/zinc/84/08/14/1121840814.db2.gz ILDCKESXWPPVMY-UHFFFAOYSA-N -1 3 374.488 4.087 20 0 FIADHM O=S(=O)([N-]Cc1cccc2cccnc21)c1c(Cl)cccc1Cl ZINC000068838891 1121849900 /nfs/dbraw/zinc/84/99/00/1121849900.db2.gz BCKFTYHVPSNMFJ-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM C[C@H](NCc1ccc(Cl)cn1)c1cc(Br)cc(F)c1[O-] ZINC000186229975 1121969621 /nfs/dbraw/zinc/96/96/21/1121969621.db2.gz FZMMMKUWPFTGJY-QMMMGPOBSA-N -1 3 359.626 4.193 20 0 FIADHM CC[C@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC[C@H]1c1ccccc1 ZINC000126678748 1121975529 /nfs/dbraw/zinc/97/55/29/1121975529.db2.gz GKNCSMBXNSMRHP-MAUKXSAKSA-N -1 3 369.461 4.065 20 0 FIADHM CCc1noc(C)c1[N-]C(=O)c1csc(Nc2ccc(OC)cc2)n1 ZINC000127031669 1122037626 /nfs/dbraw/zinc/03/76/26/1122037626.db2.gz LEICKOUQUBGLNM-UHFFFAOYSA-N -1 3 358.423 4.006 20 0 FIADHM CC(C)(C)c1ncc(C(=O)[N-]c2nnc(-c3ccsc3)s2)s1 ZINC000067496062 1122166792 /nfs/dbraw/zinc/16/67/92/1122166792.db2.gz DDVCLZGNAJSHNR-UHFFFAOYSA-N -1 3 350.494 4.273 20 0 FIADHM Cc1c([O-])ccc2c(CN(C)[C@@H](C)c3cc(F)ccc3F)cc(=O)oc12 ZINC000917147885 1122205632 /nfs/dbraw/zinc/20/56/32/1122205632.db2.gz LJQQUIYJLKMUHY-LBPRGKRZSA-N -1 3 359.372 4.278 20 0 FIADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ncc(-c2ccccc2)o1 ZINC000765824864 1122255687 /nfs/dbraw/zinc/25/56/87/1122255687.db2.gz GPHWGVDHZTVJMM-GFCCVEGCSA-N -1 3 360.335 4.450 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1 ZINC000917409931 1122298664 /nfs/dbraw/zinc/29/86/64/1122298664.db2.gz ZUGFBIRQQSWBTO-CYBMUJFWSA-N -1 3 357.431 4.107 20 0 FIADHM COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cccc([O-])c1F ZINC000128826978 1122424920 /nfs/dbraw/zinc/42/49/20/1122424920.db2.gz FONLWNCFGOSSIL-UHFFFAOYSA-N -1 3 360.772 4.236 20 0 FIADHM CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000917750533 1122427531 /nfs/dbraw/zinc/42/75/31/1122427531.db2.gz QVDLPSCVSYEFSV-KTKRTIGZSA-N -1 3 355.818 4.290 20 0 FIADHM CC(C)(C)c1nc(C(=O)[N-]c2nc(-c3cccs3)ns2)cs1 ZINC000497976250 1122495470 /nfs/dbraw/zinc/49/54/70/1122495470.db2.gz QBHAKGGNCNFKBG-UHFFFAOYSA-N -1 3 350.494 4.273 20 0 FIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)ccc2Br)c1 ZINC000498009161 1122521165 /nfs/dbraw/zinc/52/11/65/1122521165.db2.gz NWFUIDRDFNZQBI-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000918164036 1122579248 /nfs/dbraw/zinc/57/92/48/1122579248.db2.gz WFSDIRGMYWNZRX-UHFFFAOYSA-N -1 3 362.470 4.179 20 0 FIADHM O=C(CC1(O)CCCC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129513100 1122621753 /nfs/dbraw/zinc/62/17/53/1122621753.db2.gz KQMKMWODJVFRMC-UHFFFAOYSA-N -1 3 368.458 4.303 20 0 FIADHM Cc1ccc(-n2nc(C(=O)Nc3cccc([O-])c3F)c3c2CCCC3)cc1 ZINC000129561820 1122637140 /nfs/dbraw/zinc/63/71/40/1122637140.db2.gz RURFVSQLQGYIMX-UHFFFAOYSA-N -1 3 365.408 4.157 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000129713642 1122682562 /nfs/dbraw/zinc/68/25/62/1122682562.db2.gz OAKNQFWXNQLAMD-UHFFFAOYSA-N -1 3 354.259 4.164 20 0 FIADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000556322568 1122808892 /nfs/dbraw/zinc/80/88/92/1122808892.db2.gz QVKHEDCWDSGINN-MRXNPFEDSA-N -1 3 353.340 4.020 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)c([O-])c1 ZINC000920817898 1123524093 /nfs/dbraw/zinc/52/40/93/1123524093.db2.gz RDRUZYYBSJBMAJ-MRXNPFEDSA-N -1 3 374.278 4.310 20 0 FIADHM CCc1cc2c(CSC[C@@H](O)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000921139533 1123569717 /nfs/dbraw/zinc/56/97/17/1123569717.db2.gz JGRJPZZYBFIVSQ-GOSISDBHSA-N -1 3 356.443 4.028 20 0 FIADHM Cc1ccc(-c2nsc([N-]C(=O)c3ncccc3OC(C)C)n2)s1 ZINC000079465913 1123896259 /nfs/dbraw/zinc/89/62/59/1123896259.db2.gz PNUFIOCQXARUJN-UHFFFAOYSA-N -1 3 360.464 4.010 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000615293501 1123980881 /nfs/dbraw/zinc/98/08/81/1123980881.db2.gz UTCONGAONBXVQJ-QMMMGPOBSA-N -1 3 366.216 4.311 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000137939206 1123993782 /nfs/dbraw/zinc/99/37/82/1123993782.db2.gz KQSIHRFLLIBCHQ-UHFFFAOYSA-N -1 3 350.856 4.130 20 0 FIADHM Cc1nc(C(=O)[N-]c2ccccc2SC(F)F)nn1-c1ccccc1 ZINC000068074655 1124029314 /nfs/dbraw/zinc/02/93/14/1124029314.db2.gz SMYWUMYFZIIHDG-UHFFFAOYSA-N -1 3 360.389 4.143 20 0 FIADHM CN(CCC(F)(F)F)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000138591060 1124266524 /nfs/dbraw/zinc/26/65/24/1124266524.db2.gz LBXKVNYGJFTHLN-UHFFFAOYSA-N -1 3 351.368 4.202 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cn2ccnc2C(C)C)c1 ZINC000108638663 1124367859 /nfs/dbraw/zinc/36/78/59/1124367859.db2.gz UFAAHBFIILDMIE-UHFFFAOYSA-N -1 3 369.490 4.164 20 0 FIADHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc2)co1 ZINC000110096606 1124714611 /nfs/dbraw/zinc/71/46/11/1124714611.db2.gz GDCBUVMDHGHUJS-UHFFFAOYSA-N -1 3 366.801 4.243 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2F)cc1 ZINC000247907480 1124730019 /nfs/dbraw/zinc/73/00/19/1124730019.db2.gz CSINNJZFILNWTJ-LBPRGKRZSA-N -1 3 364.442 4.098 20 0 FIADHM COc1ccccc1C(F)(F)C(=O)[N-]CC(F)(F)c1ccccc1C ZINC001280477104 1124760554 /nfs/dbraw/zinc/76/05/54/1124760554.db2.gz NXVMFXJLLQEFAW-UHFFFAOYSA-N -1 3 355.331 4.004 20 0 FIADHM O=C([N-]c1c2nsnc2ccc1Cl)c1csc(-c2ccoc2)n1 ZINC000181262105 1124801194 /nfs/dbraw/zinc/80/11/94/1124801194.db2.gz DDYOFFPWYNRBMH-UHFFFAOYSA-N -1 3 362.823 4.314 20 0 FIADHM O=C(N[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000672159440 1124815859 /nfs/dbraw/zinc/81/58/59/1124815859.db2.gz WHYSRXZJNIAMHN-UKRRQHHQSA-N -1 3 374.366 4.043 20 0 FIADHM S=c1[n-]nc(Cc2cccs2)n1CN1CCC[C@H]1c1ccccc1 ZINC000069372948 1124831864 /nfs/dbraw/zinc/83/18/64/1124831864.db2.gz FVDBVEYQCBMYLW-INIZCTEOSA-N -1 3 356.520 4.388 20 0 FIADHM C[C@H]1CC(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)C[C@H](C)C1 ZINC001212450056 1125062398 /nfs/dbraw/zinc/06/23/98/1125062398.db2.gz HWZOXNGVHYKMHD-ZIAGYGMSSA-N -1 3 364.536 4.161 20 0 FIADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1c[n-]c2ccccc2c1=O ZINC000618779755 1125276320 /nfs/dbraw/zinc/27/63/20/1125276320.db2.gz QCTUMIAHVFWHJU-UHFFFAOYSA-N -1 3 372.827 4.373 20 0 FIADHM CCc1nc(C)c([C@H](C)N(C)Cc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000182344429 1125426122 /nfs/dbraw/zinc/42/61/22/1125426122.db2.gz LUJOVHXKBPXFHM-LBPRGKRZSA-N -1 3 358.463 4.019 20 0 FIADHM [O-]c1ccc(Br)c(CNCc2ncoc2-c2ccccc2)c1 ZINC000359977761 210202430 /nfs/dbraw/zinc/20/24/30/210202430.db2.gz LQQGAROSMMZQHZ-UHFFFAOYSA-N -1 3 359.223 4.100 20 0 FIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000016099504 210154308 /nfs/dbraw/zinc/15/43/08/210154308.db2.gz RYFGFUHBEYETGF-UHFFFAOYSA-N -1 3 374.506 4.360 20 0 FIADHM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)CCC2 ZINC000007410111 210094122 /nfs/dbraw/zinc/09/41/22/210094122.db2.gz OJNBURFAZKJSLZ-UHFFFAOYSA-N -1 3 373.808 4.231 20 0 FIADHM CCCc1nnc([N-]C(=O)c2sc3cccc(F)c3c2COC)s1 ZINC000017367872 211184606 /nfs/dbraw/zinc/18/46/06/211184606.db2.gz XVGQQTVTBFWJQL-UHFFFAOYSA-N -1 3 365.455 4.243 20 0 FIADHM CCN(CC)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000521409583 567905278 /nfs/dbraw/zinc/90/52/78/567905278.db2.gz AFAWNSSWTHEZHZ-UHFFFAOYSA-N -1 3 363.255 4.253 20 0 FIADHM COC(=O)c1c(Cl)ccc([N-]C(=O)c2cc(C(C)C)no2)c1Cl ZINC000602383167 567971697 /nfs/dbraw/zinc/97/16/97/567971697.db2.gz HDKGCNLHKOPAEM-UHFFFAOYSA-N -1 3 357.193 4.144 20 0 FIADHM COc1cc2ccccc2cc1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000603547071 568118048 /nfs/dbraw/zinc/11/80/48/568118048.db2.gz GIDDWELDVCRLET-UHFFFAOYSA-N -1 3 362.364 4.025 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC ZINC000007056303 568145161 /nfs/dbraw/zinc/14/51/61/568145161.db2.gz GKNJYOUPVGZWFL-UHFFFAOYSA-N -1 3 363.479 4.047 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccccc4)C[C@@H]3C)nc2)n1 ZINC000604381243 568286750 /nfs/dbraw/zinc/28/67/50/568286750.db2.gz ZGYRLUMKIVWMHD-YJBOKZPZSA-N -1 3 360.461 4.189 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SC(CC)CC)nc(=O)c2c1C ZINC000604566590 568317364 /nfs/dbraw/zinc/31/73/64/568317364.db2.gz VDRJBFQLMFOJHB-SNVBAGLBSA-N -1 3 368.524 4.453 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)COc2ccccc2C(F)(F)F)c1[O-] ZINC000604902105 568385090 /nfs/dbraw/zinc/38/50/90/568385090.db2.gz HHDICNPVYAKNQP-UHFFFAOYSA-N -1 3 359.731 4.390 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000604902104 568385095 /nfs/dbraw/zinc/38/50/95/568385095.db2.gz HGRXNALNKAAMSA-UHFFFAOYSA-N -1 3 359.731 4.390 20 0 FIADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000604901952 568385121 /nfs/dbraw/zinc/38/51/21/568385121.db2.gz JVJMYGUSBXWDOY-UHFFFAOYSA-N -1 3 374.868 4.478 20 0 FIADHM Clc1cccc(Cl)c1OCCSc1n[n-]c(-c2ccccn2)n1 ZINC000604932793 568395282 /nfs/dbraw/zinc/39/52/82/568395282.db2.gz NRNZCUWEUSSONT-UHFFFAOYSA-N -1 3 367.261 4.345 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1Cl ZINC000605144929 568584083 /nfs/dbraw/zinc/58/40/83/568584083.db2.gz JJDHAUBVDHHUIT-JTQLQIEISA-N -1 3 361.228 4.326 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(Cl)c1Cl ZINC000605164387 568592865 /nfs/dbraw/zinc/59/28/65/568592865.db2.gz AZZUKBGCTOZFRB-MRVPVSSYSA-N -1 3 366.216 4.311 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc2cc(F)ccc2o1 ZINC000605180172 568605044 /nfs/dbraw/zinc/60/50/44/568605044.db2.gz PPMLHDXTFRFLKI-UHFFFAOYSA-N -1 3 356.744 4.263 20 0 FIADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H](COC)Cc1ccccc1 ZINC001149130512 1079539286 /nfs/dbraw/zinc/53/92/86/1079539286.db2.gz JXJWJYQEAALXFQ-IBGZPJMESA-N -1 3 355.478 4.235 20 0 FIADHM Cc1ccc(-c2nc(CNC[C@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC000683171551 1079802808 /nfs/dbraw/zinc/80/28/08/1079802808.db2.gz NGHQSQSUMQHHCW-SFHVURJKSA-N -1 3 366.486 4.152 20 0 FIADHM CCCN(CC)C(=O)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000655110673 1079980528 /nfs/dbraw/zinc/98/05/28/1079980528.db2.gz IVCPBLBWQZVNID-UHFFFAOYSA-N -1 3 360.841 4.170 20 0 FIADHM O=C(Nc1nc(-c2cccnc2)cs1)c1cc2c(cc1[O-])CCCC2 ZINC000109191000 1080116074 /nfs/dbraw/zinc/11/60/74/1080116074.db2.gz XYCYXKDHFLYCPG-UHFFFAOYSA-N -1 3 351.431 4.042 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(Cl)c(Br)c1)c1cccs1 ZINC000137106639 1080200964 /nfs/dbraw/zinc/20/09/64/1080200964.db2.gz NBDGYAPYKLFETJ-LBPRGKRZSA-N -1 3 374.687 4.470 20 0 FIADHM Cc1ccc(-c2nsc([N-]C(=O)c3ncccc3C(F)(F)F)n2)s1 ZINC000180064302 1080438209 /nfs/dbraw/zinc/43/82/09/1080438209.db2.gz VSVZEWCSKZTYPN-UHFFFAOYSA-N -1 3 370.381 4.241 20 0 FIADHM COC(=O)c1sccc1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000047443179 1080510532 /nfs/dbraw/zinc/51/05/32/1080510532.db2.gz NNCCRDOEWNQKMI-UHFFFAOYSA-N -1 3 362.794 4.095 20 0 FIADHM CC(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)Nc1ccccc1 ZINC000471251586 1080585778 /nfs/dbraw/zinc/58/57/78/1080585778.db2.gz HBKBHWHPQGPVPW-IBGZPJMESA-N -1 3 358.457 4.107 20 0 FIADHM Cc1csc(Sc2ccc(NC(=O)NCc3ncccc3[O-])cc2)n1 ZINC000471258209 1080611466 /nfs/dbraw/zinc/61/14/66/1080611466.db2.gz PZPNFQUGHYVTII-UHFFFAOYSA-N -1 3 372.475 4.025 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000683321541 1080616761 /nfs/dbraw/zinc/61/67/61/1080616761.db2.gz IYZVNQYBDDSYIR-UHFFFAOYSA-N -1 3 374.849 4.200 20 0 FIADHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1c[n-]c2ccccc2c1=O ZINC000032673264 1080785472 /nfs/dbraw/zinc/78/54/72/1080785472.db2.gz DEZJNRLFHAFGCW-UHFFFAOYSA-N -1 3 352.393 4.352 20 0 FIADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000510225703 1080813651 /nfs/dbraw/zinc/81/36/51/1080813651.db2.gz BQDALOFWINZTTR-UHFFFAOYSA-N -1 3 368.462 4.492 20 0 FIADHM O=C(NCC1(c2cccc(Cl)c2)CCCCC1)c1c([O-])cccc1O ZINC001648796467 1080830806 /nfs/dbraw/zinc/83/08/06/1080830806.db2.gz WIGUFVJRMFUWRU-UHFFFAOYSA-N -1 3 359.853 4.383 20 0 FIADHM COc1cccc(-c2nc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cs2)c1 ZINC000652499696 1080834193 /nfs/dbraw/zinc/83/41/93/1080834193.db2.gz IWGLCATWWFJVSZ-OAHLLOKOSA-N -1 3 374.506 4.142 20 0 FIADHM CCc1cc2c(CN(CC)Cc3ccccc3F)cc(=O)oc2cc1[O-] ZINC001167244390 1080901743 /nfs/dbraw/zinc/90/17/43/1080901743.db2.gz OQFQRGLRYCFLPT-UHFFFAOYSA-N -1 3 355.409 4.222 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@@H]3C[C@@H](C)CC(C)(C)C3)nc21 ZINC001266467328 1080931429 /nfs/dbraw/zinc/93/14/29/1080931429.db2.gz NJWNXCMZDAZLOT-OLZOCXBDSA-N -1 3 357.454 4.141 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C4SCCS4)cc3)n[n-]2)o1 ZINC000160289440 1080960056 /nfs/dbraw/zinc/96/00/56/1080960056.db2.gz SOYDJUXHZHNFPO-UHFFFAOYSA-N -1 3 372.475 4.104 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cc(C)ccc3OC)nc2)n1 ZINC000413394212 1081232723 /nfs/dbraw/zinc/23/27/23/1081232723.db2.gz ASDDJHRKPNPRIY-CQSZACIVSA-N -1 3 364.449 4.297 20 0 FIADHM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc([O-])cc(F)c2)cc1 ZINC000471458477 1081340131 /nfs/dbraw/zinc/34/01/31/1081340131.db2.gz ILUKHNJCDNQDLP-FQEVSTJZSA-N -1 3 364.376 4.311 20 0 FIADHM COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cc([O-])cc(F)c2)c1 ZINC000471462753 1081365740 /nfs/dbraw/zinc/36/57/40/1081365740.db2.gz PQARCTVTUPNKIF-FQEVSTJZSA-N -1 3 364.376 4.311 20 0 FIADHM CCc1oc(C(=O)[O-])cc1CN(C)CCCOc1ccc(Cl)cc1 ZINC000580084211 1081579513 /nfs/dbraw/zinc/57/95/13/1081579513.db2.gz NJTVQWKJTQDPGT-UHFFFAOYSA-N -1 3 351.830 4.095 20 0 FIADHM CN1Cc2c(c(Nc3cccc([O-])c3Cl)ccc2Br)C1=O ZINC001210859705 1081788399 /nfs/dbraw/zinc/78/83/99/1081788399.db2.gz KUELJGKMEMLQDR-UHFFFAOYSA-N -1 3 367.630 4.137 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc(Cl)nc1Cl ZINC000064918191 1081802351 /nfs/dbraw/zinc/80/23/51/1081802351.db2.gz SIMLUXKHUSTLBA-UHFFFAOYSA-N -1 3 351.218 4.159 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(Oc2ccccc2F)CC1 ZINC000634696043 1081926158 /nfs/dbraw/zinc/92/61/58/1081926158.db2.gz HGHALNGKGMXOHW-GOSISDBHSA-N -1 3 363.816 4.148 20 0 FIADHM O=C(CC/C=C\c1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000255670611 1082070869 /nfs/dbraw/zinc/07/08/69/1082070869.db2.gz YDBUDUTUQNTVOM-YWEYNIOJSA-N -1 3 360.251 4.265 20 0 FIADHM CCOc1cc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc(Cl)c1[O-] ZINC000656278386 1082098880 /nfs/dbraw/zinc/09/88/80/1082098880.db2.gz QXMLDNZDEXLYNX-FZMZJTMJSA-N -1 3 367.795 4.034 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000580784329 1082137016 /nfs/dbraw/zinc/13/70/16/1082137016.db2.gz UPNLPUFAFZNZDP-HGZMWJMZSA-N -1 3 363.461 4.158 20 0 FIADHM C[C@]12CN(Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000581082030 1082303975 /nfs/dbraw/zinc/30/39/75/1082303975.db2.gz DZYZBVDOQNWBRN-PWKYIOIESA-N -1 3 368.502 4.376 20 0 FIADHM N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000188054460 1082418787 /nfs/dbraw/zinc/41/87/87/1082418787.db2.gz SOKTUZOPPBYEPA-YRNVUSSQSA-N -1 3 364.735 4.193 20 0 FIADHM O=C(Nc1ccc(-n2nccn2)cc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001625869803 1082516127 /nfs/dbraw/zinc/51/61/27/1082516127.db2.gz YFTONZGLUZUHHE-UHFFFAOYSA-N -1 3 372.384 4.018 20 0 FIADHM COc1ccccc1-c1nc(C(=O)Nc2cc(Cl)ccc2[O-])cs1 ZINC000060456927 1082522032 /nfs/dbraw/zinc/52/20/32/1082522032.db2.gz HPGJNOQEDWBSSD-UHFFFAOYSA-N -1 3 360.822 4.430 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656770222 1082761702 /nfs/dbraw/zinc/76/17/02/1082761702.db2.gz XYDGAEFVUIWNPF-VUCTXSBTSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656770121 1082761726 /nfs/dbraw/zinc/76/17/26/1082761726.db2.gz XYDGAEFVUIWNPF-JLZZUVOBSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656768913 1082761989 /nfs/dbraw/zinc/76/19/89/1082761989.db2.gz OHXHWARZMVXYHV-VMGRFDJRSA-N -1 3 372.292 4.400 20 0 FIADHM Cc1ccc(C(=O)C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c(C)c1 ZINC000581695998 1082818288 /nfs/dbraw/zinc/81/82/88/1082818288.db2.gz ODJAOVBFYUIIFM-UHFFFAOYSA-N -1 3 371.864 4.398 20 0 FIADHM COC(=O)[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1c(F)cccc1Cl ZINC000785067682 1082858310 /nfs/dbraw/zinc/85/83/10/1082858310.db2.gz KBLVHWXJCXCWDQ-ZDUSSCGKSA-N -1 3 367.785 4.093 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000581861633 1082936884 /nfs/dbraw/zinc/93/68/84/1082936884.db2.gz SWBNKXRKIOFDLH-CYBMUJFWSA-N -1 3 370.503 4.278 20 0 FIADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1nncc2ccccc21 ZINC001125545161 1083068015 /nfs/dbraw/zinc/06/80/15/1083068015.db2.gz OSDUYLJHTUDWRG-UHFFFAOYSA-N -1 3 367.821 4.054 20 0 FIADHM CCc1onc(C)c1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000091696609 1083278658 /nfs/dbraw/zinc/27/86/58/1083278658.db2.gz INDVGDNYVSWMOP-UHFFFAOYSA-N -1 3 352.390 4.082 20 0 FIADHM CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nc(C)cs1 ZINC000091683390 1083343741 /nfs/dbraw/zinc/34/37/41/1083343741.db2.gz JPGFVJXQQPBWHF-UHFFFAOYSA-N -1 3 352.459 4.415 20 0 FIADHM O=C([N-]c1c(F)cccc1Oc1ccccc1)c1ncn(-c2ccccc2)n1 ZINC000092320820 1083374956 /nfs/dbraw/zinc/37/49/56/1083374956.db2.gz LMVHVONGKIYHGH-UHFFFAOYSA-N -1 3 374.375 4.451 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1OC(C)C ZINC000431172732 1083378400 /nfs/dbraw/zinc/37/84/00/1083378400.db2.gz LNHUNMRSXXGAEN-UHFFFAOYSA-N -1 3 359.369 4.000 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000510966813 1083546704 /nfs/dbraw/zinc/54/67/04/1083546704.db2.gz JGYPWRYQJSLQBY-UHFFFAOYSA-N -1 3 360.816 4.184 20 0 FIADHM CC(C)[C@H](NCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000277086938 1083739059 /nfs/dbraw/zinc/73/90/59/1083739059.db2.gz XCYSSTFQFPYMTK-LBPRGKRZSA-N -1 3 356.900 4.147 20 0 FIADHM Cc1c([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000588482585 1083896058 /nfs/dbraw/zinc/89/60/58/1083896058.db2.gz LVUQBHMXLVCKQJ-KHPPLWFESA-N -1 3 373.865 4.247 20 0 FIADHM CC(C)O[C@]1(CSc2nnc([N-]c3ccccc3F)s2)CCOC1 ZINC000657227537 1083993679 /nfs/dbraw/zinc/99/36/79/1083993679.db2.gz FFJIQJREESRWTH-MRXNPFEDSA-N -1 3 369.487 4.097 20 0 FIADHM CCC[C@@H](C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000636111361 1084030572 /nfs/dbraw/zinc/03/05/72/1084030572.db2.gz JDKCKRFEWUMYOC-OAHLLOKOSA-N -1 3 361.873 4.079 20 0 FIADHM CO[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000612755110 1084046319 /nfs/dbraw/zinc/04/63/19/1084046319.db2.gz AFVPLCBTSZVXHK-JSGCOSHPSA-N -1 3 368.458 4.423 20 0 FIADHM CC(C)[C@H](CNCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000277278733 1084129565 /nfs/dbraw/zinc/12/95/65/1084129565.db2.gz LXFGHKFQZWLJRN-LBPRGKRZSA-N -1 3 370.927 4.394 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1 ZINC000014230805 1084314559 /nfs/dbraw/zinc/31/45/59/1084314559.db2.gz MBBGFBUYRBPBAI-MRXNPFEDSA-N -1 3 369.490 4.246 20 0 FIADHM CCC[C@H](NCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000277387346 1084368269 /nfs/dbraw/zinc/36/82/69/1084368269.db2.gz REEBQYKXOLKTTQ-NSHDSACASA-N -1 3 356.900 4.291 20 0 FIADHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001211639016 1084489108 /nfs/dbraw/zinc/48/91/08/1084489108.db2.gz SWABZAXTKOINMI-AAEUAGOBSA-N -1 3 370.927 4.178 20 0 FIADHM CCOc1c(Cl)cc(CNC(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000431345123 1084561073 /nfs/dbraw/zinc/56/10/73/1084561073.db2.gz RBZIWAWGWGEMQZ-UHFFFAOYSA-N -1 3 370.232 4.036 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 ZINC000094129241 1084617592 /nfs/dbraw/zinc/61/75/92/1084617592.db2.gz OHQXFKQSCWDIRS-UHFFFAOYSA-N -1 3 353.462 4.024 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](CC(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000582283882 1084828573 /nfs/dbraw/zinc/82/85/73/1084828573.db2.gz OAKUQLVPIZKWLD-HNNXBMFYSA-N -1 3 368.481 4.448 20 0 FIADHM CC[C@@H]1CN(C)CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000684825392 1084887059 /nfs/dbraw/zinc/88/70/59/1084887059.db2.gz OLNRKVWNIRFLQX-QGZVFWFLSA-N -1 3 372.896 4.269 20 0 FIADHM CC(=O)c1cccc(NC(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)c1[O-] ZINC000582362709 1084908266 /nfs/dbraw/zinc/90/82/66/1084908266.db2.gz SDVQJTGAMVCTPV-UHFFFAOYSA-N -1 3 363.335 4.284 20 0 FIADHM CCc1c([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)onc1C(F)(F)F ZINC000431386969 1084908957 /nfs/dbraw/zinc/90/89/57/1084908957.db2.gz QGWURTZBRPEEEL-UHFFFAOYSA-N -1 3 369.274 4.302 20 0 FIADHM CC(=O)c1csc(C(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000175246925 1084913634 /nfs/dbraw/zinc/91/36/34/1084913634.db2.gz NMPMNSONMVSAGV-UHFFFAOYSA-N -1 3 360.179 4.244 20 0 FIADHM CC(C)CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1F ZINC000175614926 1084974857 /nfs/dbraw/zinc/97/48/57/1084974857.db2.gz GCCDSUIQRRKXFM-UHFFFAOYSA-N -1 3 364.804 4.422 20 0 FIADHM CSc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000511133406 1085051759 /nfs/dbraw/zinc/05/17/59/1085051759.db2.gz ZJLKFJFWKPMHLT-UHFFFAOYSA-N -1 3 351.493 4.305 20 0 FIADHM O=c1nc(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)[n-]c2ccsc21 ZINC000511878281 1085281617 /nfs/dbraw/zinc/28/16/17/1085281617.db2.gz XPIMAPCRZHOACK-ZMSDIMECSA-N -1 3 351.475 4.165 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)s1 ZINC000548749068 1085348544 /nfs/dbraw/zinc/34/85/44/1085348544.db2.gz SOWGMXGZYZCIOG-UHFFFAOYSA-N -1 3 368.846 4.269 20 0 FIADHM C[C@@H](CN(C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1nccs1 ZINC000582670931 1085354483 /nfs/dbraw/zinc/35/44/83/1085354483.db2.gz BXSALTDHHLRQBC-TVQRCGJNSA-N -1 3 359.278 4.311 20 0 FIADHM O=C([N-]Cc1cccc(OCC(F)(F)F)c1)C(F)(F)c1ccccc1 ZINC000117248799 1085434157 /nfs/dbraw/zinc/43/41/57/1085434157.db2.gz GUZCAPTVOKWYPF-UHFFFAOYSA-N -1 3 359.294 4.036 20 0 FIADHM COc1ccc(OC(F)F)c(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC001126102063 1085644046 /nfs/dbraw/zinc/64/40/46/1085644046.db2.gz WWJGFFCDIPNKFO-UHFFFAOYSA-N -1 3 358.724 4.013 20 0 FIADHM O=C([O-])C[C@@H](CNCc1ccc(-c2ccc(Cl)cc2)o1)C(F)(F)F ZINC000582775145 1085696288 /nfs/dbraw/zinc/69/62/88/1085696288.db2.gz SJHBEKXVULLBRH-NSHDSACASA-N -1 3 361.747 4.343 20 0 FIADHM CN(Cc1cc([O-])cc(F)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000473142851 1085805542 /nfs/dbraw/zinc/80/55/42/1085805542.db2.gz RGRCMCAGFCFADW-LJQANCHMSA-N -1 3 357.816 4.196 20 0 FIADHM O=C(Cc1cccc(Cl)c1F)Nc1ccc(Br)cc1[O-] ZINC000582874069 1085863121 /nfs/dbraw/zinc/86/31/21/1085863121.db2.gz BDGOFUFIKZGTAT-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000511906768 1085941803 /nfs/dbraw/zinc/94/18/03/1085941803.db2.gz KMHYERWEQNHMRP-NSHDSACASA-N -1 3 362.303 4.329 20 0 FIADHM Cc1ccc(C)c(OC2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000652400681 1085997944 /nfs/dbraw/zinc/99/79/44/1085997944.db2.gz LCULXKQPUGWANG-FQEVSTJZSA-N -1 3 357.425 4.112 20 0 FIADHM C[C@]1(c2ccccc2)CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000652414598 1086022538 /nfs/dbraw/zinc/02/25/38/1086022538.db2.gz IMKLDBUOKZYBSX-NRFANRHFSA-N -1 3 373.880 4.471 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1Br ZINC000070140427 1086044866 /nfs/dbraw/zinc/04/48/66/1086044866.db2.gz NEFBHFMCFFCZEF-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C([O-])c1cccc2c1CN(CCOc1cc(Cl)cc(Cl)c1)CC2 ZINC000652487331 1086114663 /nfs/dbraw/zinc/11/46/63/1086114663.db2.gz AVQJEYFHULTVEA-UHFFFAOYSA-N -1 3 366.244 4.129 20 0 FIADHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000652501121 1086127161 /nfs/dbraw/zinc/12/71/61/1086127161.db2.gz FFANEGYLXATCIV-IBGZPJMESA-N -1 3 370.499 4.100 20 0 FIADHM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1csc(-c2ccccc2)n1 ZINC001211684188 1086133003 /nfs/dbraw/zinc/13/30/03/1086133003.db2.gz ZPYMYIBDVJVDMZ-JKSUJKDBSA-N -1 3 362.520 4.057 20 0 FIADHM Cc1cc(C)c(-c2nnc(SCc3cc(=O)[n-]c(C4CC4)n3)o2)c(C)c1 ZINC000583071085 1086140416 /nfs/dbraw/zinc/14/04/16/1086140416.db2.gz QSQVDIRKTOLJRU-UHFFFAOYSA-N -1 3 368.462 4.327 20 0 FIADHM CC(=O)c1cccc(NC(=O)C2(c3cccc(Br)c3)CC2)c1[O-] ZINC000583135942 1086262536 /nfs/dbraw/zinc/26/25/36/1086262536.db2.gz YVKVDZSUFVKQBJ-UHFFFAOYSA-N -1 3 374.234 4.028 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c(C)c1 ZINC000150799363 1086331201 /nfs/dbraw/zinc/33/12/01/1086331201.db2.gz MBLOANPODSMTHM-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM Cc1ccc(-c2ccc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)o2)cc1 ZINC000663262569 1086347301 /nfs/dbraw/zinc/34/73/01/1086347301.db2.gz UIBJFRVATMMFLD-AWEZNQCLSA-N -1 3 355.356 4.388 20 0 FIADHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC001211699367 1086703752 /nfs/dbraw/zinc/70/37/52/1086703752.db2.gz HDOKXXUATMDNJY-QMMMGPOBSA-N -1 3 365.307 4.052 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@@]12CCCOC2 ZINC001648941057 1086719873 /nfs/dbraw/zinc/71/98/73/1086719873.db2.gz JHYQXIYAEJIQJT-QFIPXVFZSA-N -1 3 367.445 4.360 20 0 FIADHM Cc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1OCCC(C)C ZINC000583508644 1086752034 /nfs/dbraw/zinc/75/20/34/1086752034.db2.gz QAVXQWKDZJKJCX-UHFFFAOYSA-N -1 3 355.438 4.045 20 0 FIADHM Cc1cc(F)c(S(=O)(=O)[N-]CCCCCc2ccc(F)cc2)cc1F ZINC001211589136 1086815672 /nfs/dbraw/zinc/81/56/72/1086815672.db2.gz LSWMHQJBZOUZOX-UHFFFAOYSA-N -1 3 371.424 4.104 20 0 FIADHM Cc1ccc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000006572763 1086846418 /nfs/dbraw/zinc/84/64/18/1086846418.db2.gz FRQZBMFRIBRLMU-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM Cc1nc(CC(C)C)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s1 ZINC000163309219 1086880039 /nfs/dbraw/zinc/88/00/39/1086880039.db2.gz CJBPEEFQSZINDM-UHFFFAOYSA-N -1 3 373.453 4.191 20 0 FIADHM COc1cccc(C2(NCc3cccc([O-])c3Br)CCC2)c1 ZINC000657778946 1086906808 /nfs/dbraw/zinc/90/68/08/1086906808.db2.gz MTXQADNEULZYKN-UHFFFAOYSA-N -1 3 362.267 4.332 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)F)ccc1Cl)c1cc(F)cc(F)c1 ZINC000583835723 1086986271 /nfs/dbraw/zinc/98/62/71/1086986271.db2.gz RNPNHALOSOXLRC-UHFFFAOYSA-N -1 3 353.724 4.357 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c1Cl ZINC000536156199 1087020539 /nfs/dbraw/zinc/02/05/39/1087020539.db2.gz WQFJUXRMISCQCE-OAHLLOKOSA-N -1 3 371.289 4.126 20 0 FIADHM [O-]c1cccc(CNCc2cccc(COC[C@H]3CCCO3)c2)c1Cl ZINC000657803982 1087021421 /nfs/dbraw/zinc/02/14/21/1087021421.db2.gz SPAVTPBGYZPXSY-GOSISDBHSA-N -1 3 361.869 4.031 20 0 FIADHM O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000584003512 1087094893 /nfs/dbraw/zinc/09/48/93/1087094893.db2.gz HHJDRJBYQQNHLA-UHFFFAOYSA-N -1 3 373.840 4.144 20 0 FIADHM O=C(COC(c1ccccc1)c1ccccc1)Nc1cc(F)ccc1[O-] ZINC000531133970 1087122995 /nfs/dbraw/zinc/12/29/95/1087122995.db2.gz PDRZKJICZNTDAX-UHFFFAOYSA-N -1 3 351.377 4.276 20 0 FIADHM CC(C)c1ccsc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151595312 1087167860 /nfs/dbraw/zinc/16/78/60/1087167860.db2.gz JRBNAIWMUNAGKS-UHFFFAOYSA-N -1 3 354.269 4.270 20 0 FIADHM Cc1nc(C2CC2)ccc1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000562562375 1087215311 /nfs/dbraw/zinc/21/53/11/1087215311.db2.gz QZKQIDJZEPNJBE-UHFFFAOYSA-N -1 3 361.239 4.296 20 0 FIADHM S=c1[n-]nc(CCC2CCCC2)n1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000176824599 1087281224 /nfs/dbraw/zinc/28/12/24/1087281224.db2.gz AAAJKNXOIZXFCU-HOTGVXAUSA-N -1 3 366.600 4.381 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cccc(C)c4o3)c2)n1 ZINC000149549719 1087502957 /nfs/dbraw/zinc/50/29/57/1087502957.db2.gz ZEFSBZIJXFWSJB-UHFFFAOYSA-N -1 3 373.412 4.306 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCc4ccc(C)cc43)nc2)n1 ZINC000179238167 1087608584 /nfs/dbraw/zinc/60/85/84/1087608584.db2.gz RNROZFHZEJSPQQ-LJQANCHMSA-N -1 3 360.461 4.192 20 0 FIADHM CCCCN(Cc1ccccc1Cl)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000563973019 1087750849 /nfs/dbraw/zinc/75/08/49/1087750849.db2.gz XZJCVCCWMJWQLH-UHFFFAOYSA-N -1 3 359.857 4.156 20 0 FIADHM Cc1ccc(Br)cc1CNC(=O)c1cc([O-])ccc1Cl ZINC000504751667 1087838148 /nfs/dbraw/zinc/83/81/48/1087838148.db2.gz WPAAWWWEPZNQMO-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000024577536 1087875940 /nfs/dbraw/zinc/87/59/40/1087875940.db2.gz YBADVQYIUNBDNP-HNNXBMFYSA-N -1 3 355.463 4.187 20 0 FIADHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000504938503 1087988514 /nfs/dbraw/zinc/98/85/14/1087988514.db2.gz FBRIOBMAMQFYOQ-UHFFFAOYSA-N -1 3 350.440 4.196 20 0 FIADHM CSc1ccc(-c2nsc([N-]C(=O)c3nc(C)sc3C)n2)cc1 ZINC000505369937 1088382444 /nfs/dbraw/zinc/38/24/44/1088382444.db2.gz GCRNAOWDNJVHGB-UHFFFAOYSA-N -1 3 362.505 4.253 20 0 FIADHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1)CCC2 ZINC000623018557 1088485135 /nfs/dbraw/zinc/48/51/35/1088485135.db2.gz MQPSILCONXKHRG-CQSZACIVSA-N -1 3 370.396 4.326 20 0 FIADHM CCOC(=O)C1CCC(N(CC)C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000514036139 1088646795 /nfs/dbraw/zinc/64/67/95/1088646795.db2.gz KFEZHRHPWOKHTC-UHFFFAOYSA-N -1 3 369.461 4.129 20 0 FIADHM CN(CCCc1ccccc1)[C@H](C(=O)[O-])c1ccccc1Br ZINC000659785640 1088855760 /nfs/dbraw/zinc/85/57/60/1088855760.db2.gz GILGZCFWPWOIAF-KRWDZBQOSA-N -1 3 362.267 4.139 20 0 FIADHM O=C([O-])c1sc2cccc(F)c2c1CN1CCC(c2ccon2)CC1 ZINC000659802284 1088887784 /nfs/dbraw/zinc/88/77/84/1088887784.db2.gz QGPGTGFGXHLBDU-UHFFFAOYSA-N -1 3 360.410 4.106 20 0 FIADHM Cc1ccnc(Oc2cc(NC(=O)c3cccc4n[n-]nc43)ccc2C)c1 ZINC000188178777 1088904168 /nfs/dbraw/zinc/90/41/68/1088904168.db2.gz KSOLRTKTQAVCLW-UHFFFAOYSA-N -1 3 359.389 4.014 20 0 FIADHM COc1cc(C(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)cc(OC)c1[O-] ZINC000425118621 1088910991 /nfs/dbraw/zinc/91/09/91/1088910991.db2.gz LXDJJSBIANKFSE-MRXNPFEDSA-N -1 3 355.434 4.023 20 0 FIADHM O=C([O-])c1ccc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000414636101 1088913390 /nfs/dbraw/zinc/91/33/90/1088913390.db2.gz JLUYVQGDZVLBGJ-UHFFFAOYSA-N -1 3 351.324 4.062 20 0 FIADHM O=C(Nc1cccc([O-])c1F)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188948760 1089016738 /nfs/dbraw/zinc/01/67/38/1089016738.db2.gz ANMFHJNRPSZKCD-UHFFFAOYSA-N -1 3 357.278 4.360 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000549161390 1089083312 /nfs/dbraw/zinc/08/33/12/1089083312.db2.gz PHPPJWDGBOGSIO-FQEVSTJZSA-N -1 3 363.379 4.090 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 ZINC000514489300 1089137417 /nfs/dbraw/zinc/13/74/17/1089137417.db2.gz ZJYVWDOCPXFQDG-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000549186193 1089170794 /nfs/dbraw/zinc/17/07/94/1089170794.db2.gz IQTNKNJJPFYYJG-SJCJKPOMSA-N -1 3 369.362 4.141 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000549186192 1089171676 /nfs/dbraw/zinc/17/16/76/1089171676.db2.gz IQTNKNJJPFYYJG-PXAZEXFGSA-N -1 3 369.362 4.141 20 0 FIADHM O=C([O-])c1ccc(CN2CCC[C@@]3(CC=CCC3)C2)c(Br)c1 ZINC000514867520 1089557498 /nfs/dbraw/zinc/55/74/98/1089557498.db2.gz XHVLBLARRNTCPX-SFHVURJKSA-N -1 3 364.283 4.470 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c(C)c1C ZINC000514928317 1089636106 /nfs/dbraw/zinc/63/61/06/1089636106.db2.gz SFIBTEBIYMGLQF-UHFFFAOYSA-N -1 3 363.479 4.047 20 0 FIADHM Cc1ccc(SC2(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)CCCC2)cc1 ZINC000616825346 1089655838 /nfs/dbraw/zinc/65/58/38/1089655838.db2.gz WQGYQXRJDQJMGJ-KRWDZBQOSA-N -1 3 371.506 4.035 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c([O-])c1 ZINC000051182625 1090038272 /nfs/dbraw/zinc/03/82/72/1090038272.db2.gz NWAJEFNXKQRXJN-UHFFFAOYSA-N -1 3 363.461 4.412 20 0 FIADHM CC1(C)CC[C@@H](C(=O)N2CCCc3c(=O)[n-]cnc32)[C@H](c2ccccc2)C1 ZINC000893203900 1090299962 /nfs/dbraw/zinc/29/99/62/1090299962.db2.gz FEWXQWYSRRNPTH-AEFFLSMTSA-N -1 3 365.477 4.072 20 0 FIADHM COCCOc1cccc(-c2nc3sc(C(F)(F)F)cc3c(=O)[n-]2)c1 ZINC000416413552 1090378332 /nfs/dbraw/zinc/37/83/32/1090378332.db2.gz PNNJUDFKIDJPQU-UHFFFAOYSA-N -1 3 370.352 4.108 20 0 FIADHM CCCOc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000613705908 1090379025 /nfs/dbraw/zinc/37/90/25/1090379025.db2.gz VFJOUWXGDGDWIT-UHFFFAOYSA-N -1 3 350.212 4.196 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000378499974 1090392181 /nfs/dbraw/zinc/39/21/81/1090392181.db2.gz WVLWPLKGBXWPEW-OAHLLOKOSA-N -1 3 364.420 4.077 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000511590522 1090580200 /nfs/dbraw/zinc/58/02/00/1090580200.db2.gz CDZNWBGHIRKNGZ-MEDUHNTESA-N -1 3 367.371 4.191 20 0 FIADHM C[C@H](Oc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1)C(F)(F)F ZINC000417043418 1090635007 /nfs/dbraw/zinc/63/50/07/1090635007.db2.gz MKAPMFJFUSNYRN-JTQLQIEISA-N -1 3 353.344 4.001 20 0 FIADHM O=C([O-])[C@@H](CC1CCCCC1)NCc1csc(-c2ccsc2)n1 ZINC000417608244 1090938244 /nfs/dbraw/zinc/93/82/44/1090938244.db2.gz IOJANYMEJCYHCT-OAHLLOKOSA-N -1 3 350.509 4.385 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H](NCc2cc(F)cc(C(F)(F)F)c2)c2ccccc21 ZINC000417619455 1090940750 /nfs/dbraw/zinc/94/07/50/1090940750.db2.gz KOZSEHZZKZFMPM-HZPDHXFCSA-N -1 3 353.315 4.247 20 0 FIADHM O=C([O-])[C@H]1C[C@@H](NCc2cc(F)cc(C(F)(F)F)c2)c2ccccc21 ZINC000417619456 1090940844 /nfs/dbraw/zinc/94/08/44/1090940844.db2.gz KOZSEHZZKZFMPM-JKSUJKDBSA-N -1 3 353.315 4.247 20 0 FIADHM O=C([O-])[C@H]1C[C@H](NCc2ccc(OC(F)F)c(Cl)c2)c2ccccc21 ZINC000417630035 1090945050 /nfs/dbraw/zinc/94/50/50/1090945050.db2.gz QTOPQDLAMGWSDP-ZFWWWQNUSA-N -1 3 367.779 4.344 20 0 FIADHM CCCCOc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417630308 1090945613 /nfs/dbraw/zinc/94/56/13/1090945613.db2.gz XYJUKBJZYJGVHQ-MOPGFXCFSA-N -1 3 369.461 4.277 20 0 FIADHM O=C([O-])CC1(CCNCc2c(F)cccc2Br)CCCCC1 ZINC000417650006 1090950567 /nfs/dbraw/zinc/95/05/67/1090950567.db2.gz MPHSDIXQDYYYLB-UHFFFAOYSA-N -1 3 372.278 4.493 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=Cc3ncccc3C)nc(=O)c2c1C ZINC000759801139 1091130863 /nfs/dbraw/zinc/13/08/63/1091130863.db2.gz UZRUEYDSWRWFSS-ABZNLYFFSA-N -1 3 369.446 4.035 20 0 FIADHM O=C([N-][C@H](c1cccc(F)c1)c1cccc(Br)c1)C(F)F ZINC000194746776 1091411576 /nfs/dbraw/zinc/41/15/76/1091411576.db2.gz KOITUQLWISRPEX-ZDUSSCGKSA-N -1 3 358.157 4.059 20 0 FIADHM COc1c(Br)cc(F)cc1Nc1cc(=O)[n-]n1C1CCCC1 ZINC001211707893 1091986753 /nfs/dbraw/zinc/98/67/53/1091986753.db2.gz FFIWVLVNJTZRAF-UHFFFAOYSA-N -1 3 370.222 4.358 20 0 FIADHM Cc1nc(CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cs1 ZINC000500460604 1092102835 /nfs/dbraw/zinc/10/28/35/1092102835.db2.gz YGWMHVGNTNSPIX-UHFFFAOYSA-N -1 3 372.475 4.054 20 0 FIADHM O=c1ccnc(C(=Cc2cc(-n3ccnc3)cs2)Cc2ccccc2)[n-]1 ZINC000432706549 1092163561 /nfs/dbraw/zinc/16/35/61/1092163561.db2.gz UXTRDRZERVOQCI-WJDWOHSUSA-N -1 3 360.442 4.213 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(OC(F)F)c(F)c2)Cc2ccccc2)[n-]1 ZINC000432709326 1092168615 /nfs/dbraw/zinc/16/86/15/1092168615.db2.gz JVXTYMXBNXMUJO-RVDMUPIBSA-N -1 3 372.346 4.294 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)c1 ZINC000500732676 1092457019 /nfs/dbraw/zinc/45/70/19/1092457019.db2.gz OLIZMUROBJDWTI-OAHLLOKOSA-N -1 3 372.896 4.127 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(Br)ccc2F)c1 ZINC000500753659 1092509719 /nfs/dbraw/zinc/50/97/19/1092509719.db2.gz INBFVIRXXYBHEK-UHFFFAOYSA-N -1 3 366.230 4.128 20 0 FIADHM CCOCc1nc(C)c(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)s1 ZINC000410631316 1092544805 /nfs/dbraw/zinc/54/48/05/1092544805.db2.gz MFFYMKJHXCTEQX-UHFFFAOYSA-N -1 3 360.813 4.480 20 0 FIADHM O=c1nc(CN2CC[C@H](C3CCC3)C2)[n-]c2scc(-c3ccco3)c21 ZINC000665288273 1092683761 /nfs/dbraw/zinc/68/37/61/1092683761.db2.gz IMTSVILGRRJWFG-ZDUSSCGKSA-N -1 3 355.463 4.279 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC2(C)CC2)cc1 ZINC000428257657 1092710737 /nfs/dbraw/zinc/71/07/37/1092710737.db2.gz CFFQAZKGYIIPDU-UHFFFAOYSA-N -1 3 372.490 4.233 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1cccc(F)c1F ZINC000110381460 1092873174 /nfs/dbraw/zinc/87/31/74/1092873174.db2.gz DHTFAUONNCTMEV-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)CCOc1ccccc1C(=O)[O-] ZINC000521809964 1092927145 /nfs/dbraw/zinc/92/71/45/1092927145.db2.gz NNILYSOBGLBDJA-CQSZACIVSA-N -1 3 362.495 4.345 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)CC(C)(C)CC(=O)c3ccccc3)n[n-]2)o1 ZINC000443304076 1093043026 /nfs/dbraw/zinc/04/30/26/1093043026.db2.gz BLCLFSNIZBDMFH-UHFFFAOYSA-N -1 3 366.421 4.001 20 0 FIADHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)cc2n[n-]nc21 ZINC000433107784 1093254561 /nfs/dbraw/zinc/25/45/61/1093254561.db2.gz DHLQDFKJHXJVFQ-UHFFFAOYSA-N -1 3 358.682 4.022 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)[n-]1 ZINC000433107807 1093255055 /nfs/dbraw/zinc/25/50/55/1093255055.db2.gz DJYFDWZDBDKJGO-PBHICJAKSA-N -1 3 370.449 4.149 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)c(F)cc1F ZINC001211763367 1093255836 /nfs/dbraw/zinc/25/58/36/1093255836.db2.gz BVALIWHHMBOHPV-HOTGVXAUSA-N -1 3 365.445 4.278 20 0 FIADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000512813910 1093385575 /nfs/dbraw/zinc/38/55/75/1093385575.db2.gz JZFVYIKXMONTHW-LLVKDONJSA-N -1 3 361.360 4.192 20 0 FIADHM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC000512880833 1093500048 /nfs/dbraw/zinc/50/00/48/1093500048.db2.gz XRQPUTRJLLIWQS-SFHVURJKSA-N -1 3 351.780 4.204 20 0 FIADHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000033777095 1093527067 /nfs/dbraw/zinc/52/70/67/1093527067.db2.gz VTECFIPHSIUUCG-QMMMGPOBSA-N -1 3 366.291 4.103 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1[O-] ZINC000412109560 1093564175 /nfs/dbraw/zinc/56/41/75/1093564175.db2.gz PFTVJJQHABPYNL-UHFFFAOYSA-N -1 3 368.433 4.140 20 0 FIADHM CN(C(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Oc2ccccc2)cc1 ZINC000433315426 1093568911 /nfs/dbraw/zinc/56/89/11/1093568911.db2.gz YKSHKSMODVWZEW-UHFFFAOYSA-N -1 3 362.364 4.166 20 0 FIADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000512926384 1093571574 /nfs/dbraw/zinc/57/15/74/1093571574.db2.gz YYQPOLLZDUEGAT-UHFFFAOYSA-N -1 3 356.451 4.494 20 0 FIADHM CCOc1cc(CNc2ccc(N3CCCC3=O)cc2)cc(Cl)c1[O-] ZINC000512985758 1093626160 /nfs/dbraw/zinc/62/61/60/1093626160.db2.gz QPVIGRHYEJXEDD-UHFFFAOYSA-N -1 3 360.841 4.183 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000474380494 1093725738 /nfs/dbraw/zinc/72/57/38/1093725738.db2.gz IYNSEGKLGKEADO-UHFFFAOYSA-N -1 3 362.832 4.274 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(F)c(C)c3)nc(=O)c2c1C ZINC000728996017 1093916208 /nfs/dbraw/zinc/91/62/08/1093916208.db2.gz KYAPYVLMQPIBDI-JTQLQIEISA-N -1 3 360.410 4.379 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)cc(=O)[n-]1 ZINC000509915933 1094025486 /nfs/dbraw/zinc/02/54/86/1094025486.db2.gz ZESBWSRJGYZKTM-UHFFFAOYSA-N -1 3 368.824 4.133 20 0 FIADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccoc1Cl ZINC000433703614 1094061550 /nfs/dbraw/zinc/06/15/50/1094061550.db2.gz QYHNOYRBYDUUFN-UHFFFAOYSA-N -1 3 356.596 4.304 20 0 FIADHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000433811544 1094110543 /nfs/dbraw/zinc/11/05/43/1094110543.db2.gz KFSOXQCHTFTHJV-UHFFFAOYSA-N -1 3 359.426 4.079 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000502111820 1095128305 /nfs/dbraw/zinc/12/83/05/1095128305.db2.gz QBOGPANJJJWNTM-UHFFFAOYSA-N -1 3 371.330 4.370 20 0 FIADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccs1 ZINC000522576872 1095160551 /nfs/dbraw/zinc/16/05/51/1095160551.db2.gz JFWBKSDQTZHUIZ-UHFFFAOYSA-N -1 3 356.321 4.330 20 0 FIADHM CCOc1cc(CNc2cccc([C@H](C)C(=O)OC)c2)cc(Cl)c1[O-] ZINC000414482026 1095199016 /nfs/dbraw/zinc/19/90/16/1095199016.db2.gz CUGSMVZPCCVLCW-LBPRGKRZSA-N -1 3 363.841 4.333 20 0 FIADHM [O-]c1cccc(CN2CCC[C@@H](CC(F)(F)F)C2)c1Br ZINC000421367930 1095568109 /nfs/dbraw/zinc/56/81/09/1095568109.db2.gz WZKUVUDEGQVTAA-JTQLQIEISA-N -1 3 352.194 4.319 20 0 FIADHM O=S(=O)([N-]c1cccc(CN2CCCCC2)c1)c1ccccc1Cl ZINC000444036862 1095635078 /nfs/dbraw/zinc/63/50/78/1095635078.db2.gz UIBBPYILUMCBQZ-UHFFFAOYSA-N -1 3 364.898 4.127 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(F)cc1F ZINC000444068679 1095662931 /nfs/dbraw/zinc/66/29/31/1095662931.db2.gz DURCKYCNXQQUME-CQSZACIVSA-N -1 3 357.447 4.116 20 0 FIADHM O=C(NCCCc1nc2c(s1)CCCC2)c1cc2sccc2c([O-])c1 ZINC001143593063 1095664361 /nfs/dbraw/zinc/66/43/61/1095664361.db2.gz TTZYDTPYGYNUMH-UHFFFAOYSA-N -1 3 372.515 4.305 20 0 FIADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000522983312 1095933153 /nfs/dbraw/zinc/93/31/53/1095933153.db2.gz HIEWLPJNADDDIU-UHFFFAOYSA-N -1 3 368.282 4.408 20 0 FIADHM CC(C)c1nc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2s1 ZINC000503351578 1096364142 /nfs/dbraw/zinc/36/41/42/1096364142.db2.gz AAORXJILDVLQNB-UHFFFAOYSA-N -1 3 355.398 4.082 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cscc1Br ZINC000504042487 1096641578 /nfs/dbraw/zinc/64/15/78/1096641578.db2.gz IXXMHJDMZFNTEC-UHFFFAOYSA-N -1 3 372.294 4.343 20 0 FIADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(F)c(F)c(F)c1 ZINC000504558262 1096800266 /nfs/dbraw/zinc/80/02/66/1096800266.db2.gz CAESFFPYVCGCML-UHFFFAOYSA-N -1 3 355.385 4.331 20 0 FIADHM CC(C)c1c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cnn1-c1ccccc1 ZINC000532943383 1098617770 /nfs/dbraw/zinc/61/77/70/1098617770.db2.gz HSXGFFOKSOBKGL-UHFFFAOYSA-N -1 3 371.444 4.060 20 0 FIADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515503242 1098657972 /nfs/dbraw/zinc/65/79/72/1098657972.db2.gz KTDLUCGUWFBNKT-NSHDSACASA-N -1 3 366.280 4.415 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3cc(C)c(O)cc3C)cc2)cc(=O)[n-]1 ZINC000436096064 1098739616 /nfs/dbraw/zinc/73/96/16/1098739616.db2.gz DQYXAMSUATWXTE-UHFFFAOYSA-N -1 3 364.405 4.124 20 0 FIADHM COc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1Br ZINC000533159884 1098811416 /nfs/dbraw/zinc/81/14/16/1098811416.db2.gz CNVACSGWQDBYAX-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM [O-]C(=Cc1csc2ccccc12)Nc1nc(-c2ccccc2)ns1 ZINC000515679822 1098842430 /nfs/dbraw/zinc/84/24/30/1098842430.db2.gz YENJXLQVDSXPLN-UHFFFAOYSA-N -1 3 351.456 4.023 20 0 FIADHM COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c([O-])c1 ZINC000436490273 1099054715 /nfs/dbraw/zinc/05/47/15/1099054715.db2.gz PVOWYVIWCQJZAL-LBPRGKRZSA-N -1 3 354.431 4.015 20 0 FIADHM COc1cc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])cc(OC)c1OC ZINC000436519717 1099076009 /nfs/dbraw/zinc/07/60/09/1099076009.db2.gz AHSGBFGHVLNIQY-CYBMUJFWSA-N -1 3 373.449 4.032 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1[O-] ZINC000436520529 1099077943 /nfs/dbraw/zinc/07/79/43/1099077943.db2.gz HBLVSUAFDQFQID-UHFFFAOYSA-N -1 3 371.330 4.370 20 0 FIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436549075 1099096940 /nfs/dbraw/zinc/09/69/40/1099096940.db2.gz FBZLHEJVQYPMKY-UHFFFAOYSA-N -1 3 366.339 4.239 20 0 FIADHM COCc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436544035 1099109955 /nfs/dbraw/zinc/10/99/55/1099109955.db2.gz AWAOCCUXYKRAAY-UHFFFAOYSA-N -1 3 356.403 4.040 20 0 FIADHM CN1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])c2ccccc2C1 ZINC000436569502 1099120225 /nfs/dbraw/zinc/12/02/25/1099120225.db2.gz FIEJMGQMQIEQKZ-UHFFFAOYSA-N -1 3 374.440 4.277 20 0 FIADHM CC[C@@H](CN(CC)C(=O)c1cc(NC(C)=O)ccc1[O-])c1ccccc1 ZINC000436568443 1099120391 /nfs/dbraw/zinc/12/03/91/1099120391.db2.gz XMIWHDRBIFRETA-INIZCTEOSA-N -1 3 354.450 4.007 20 0 FIADHM CC(C)c1nnc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436572162 1099121905 /nfs/dbraw/zinc/12/19/05/1099121905.db2.gz FQLBZRBHQDRHPV-UHFFFAOYSA-N -1 3 369.446 4.089 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000436573497 1099123357 /nfs/dbraw/zinc/12/33/57/1099123357.db2.gz IATVSZCUHPOUAY-JOCHJYFZSA-N -1 3 367.445 4.217 20 0 FIADHM CC(C)c1nn(C)cc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436595974 1099127493 /nfs/dbraw/zinc/12/74/93/1099127493.db2.gz OCSPKMGIYPVJTC-UHFFFAOYSA-N -1 3 351.406 4.294 20 0 FIADHM O=C(Nc1c[nH]nc1-c1ccccn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436595374 1099127548 /nfs/dbraw/zinc/12/75/48/1099127548.db2.gz LZXSGXRPJMPRCA-UHFFFAOYSA-N -1 3 370.412 4.020 20 0 FIADHM Cc1nc(CNC(=O)c2ccc(C)cc2[O-])oc1-c1ccc(Cl)cc1 ZINC000436583058 1099133690 /nfs/dbraw/zinc/13/36/90/1099133690.db2.gz GGYBYVFBACQHOV-UHFFFAOYSA-N -1 3 356.809 4.247 20 0 FIADHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436605722 1099140650 /nfs/dbraw/zinc/14/06/50/1099140650.db2.gz PWLBBIQNNXQGEE-UHFFFAOYSA-N -1 3 354.450 4.041 20 0 FIADHM CCOC(=O)c1sc(/C=C\c2ccc([O-])c(Br)c2)nc1C ZINC000436611477 1099146052 /nfs/dbraw/zinc/14/60/52/1099146052.db2.gz KVFFMNGYJWKEER-ALCCZGGFSA-N -1 3 368.252 4.267 20 0 FIADHM COc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1OC(F)F ZINC000436638410 1099166391 /nfs/dbraw/zinc/16/63/91/1099166391.db2.gz DMOBBZBJQDWFFT-UHFFFAOYSA-N -1 3 365.376 4.056 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2nc3ccccc3n2C2CCCC2)cc1[O-] ZINC000436649796 1099191218 /nfs/dbraw/zinc/19/12/18/1099191218.db2.gz UCCSGPBUDSMCIW-UHFFFAOYSA-N -1 3 363.417 4.312 20 0 FIADHM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(OC)c([O-])c(OC)c2)o1 ZINC000436664081 1099192497 /nfs/dbraw/zinc/19/24/97/1099192497.db2.gz OAESGSGXKKDJSD-INIZCTEOSA-N -1 3 373.449 4.322 20 0 FIADHM CCOC1CC2(C1)CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC000436665638 1099195197 /nfs/dbraw/zinc/19/51/97/1099195197.db2.gz RKRNKYDUVGPLQH-UHFFFAOYSA-N -1 3 365.473 4.014 20 0 FIADHM COc1cc(-c2nc(-c3ccc4sccc4c3)no2)cc(OC)c1[O-] ZINC000436686846 1099221021 /nfs/dbraw/zinc/22/10/21/1099221021.db2.gz GMHXZSHUSZNBNV-UHFFFAOYSA-N -1 3 354.387 4.341 20 0 FIADHM [O-]c1ccccc1-c1nc(-c2ccc(-n3cc(Cl)cn3)c(F)c2)no1 ZINC000436691133 1099223162 /nfs/dbraw/zinc/22/31/62/1099223162.db2.gz XGZYWEIQFPKAIA-UHFFFAOYSA-N -1 3 356.744 4.087 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCc3cccc(Cl)c3)cc2)cc(=O)[n-]1 ZINC000505861268 1099224514 /nfs/dbraw/zinc/22/45/14/1099224514.db2.gz SYAWHOWDNZWFCI-UHFFFAOYSA-N -1 3 368.824 4.133 20 0 FIADHM C[C@](O)(C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CCC1 ZINC000436708097 1099239248 /nfs/dbraw/zinc/23/92/48/1099239248.db2.gz UHVHLIJELWLQDY-HXUWFJFHSA-N -1 3 368.458 4.159 20 0 FIADHM COc1cc(-c2nc3c(cccc3Cl)[nH]2)cc(Br)c1[O-] ZINC000436743990 1099263821 /nfs/dbraw/zinc/26/38/21/1099263821.db2.gz ZOULFRIKQWNRDX-UHFFFAOYSA-N -1 3 353.603 4.360 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)c1[O-] ZINC000436743491 1099263869 /nfs/dbraw/zinc/26/38/69/1099263869.db2.gz XLGFZTNVGIJHGT-UHFFFAOYSA-N -1 3 373.412 4.207 20 0 FIADHM CC(=O)N(c1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1)C1CC1 ZINC000436731252 1099269211 /nfs/dbraw/zinc/26/92/11/1099269211.db2.gz BSTVTAYAHNAUQQ-UHFFFAOYSA-N -1 3 364.445 4.039 20 0 FIADHM COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000436759261 1099274948 /nfs/dbraw/zinc/27/49/48/1099274948.db2.gz VPLMGJIWQJTKTF-NSHDSACASA-N -1 3 353.340 4.253 20 0 FIADHM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436761752 1099277886 /nfs/dbraw/zinc/27/78/86/1099277886.db2.gz OMBRTHPKJOGGGM-UHFFFAOYSA-N -1 3 362.341 4.284 20 0 FIADHM Cc1nc(SCc2noc(-c3ccccc3[O-])n2)n(CC(C)C)c1C ZINC000436774367 1099295829 /nfs/dbraw/zinc/29/58/29/1099295829.db2.gz MSZXDJJQTJGLSN-UHFFFAOYSA-N -1 3 358.467 4.204 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000436783736 1099315008 /nfs/dbraw/zinc/31/50/08/1099315008.db2.gz NEGNLHANWDETKD-VIFPVBQESA-N -1 3 367.232 4.148 20 0 FIADHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436788077 1099318782 /nfs/dbraw/zinc/31/87/82/1099318782.db2.gz AWNISZFOQPIQBO-UHFFFAOYSA-N -1 3 368.477 4.233 20 0 FIADHM CCSc1cccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)c1 ZINC000436786441 1099318893 /nfs/dbraw/zinc/31/88/93/1099318893.db2.gz JDJSGIQPWVCDDA-UHFFFAOYSA-N -1 3 358.419 4.238 20 0 FIADHM CC[C@@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000436787918 1099319170 /nfs/dbraw/zinc/31/91/70/1099319170.db2.gz RMNSOVWUNHIFLL-VQIMIIECSA-N -1 3 366.461 4.007 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCOC[C@@H](C2CCC2)C1 ZINC000436786432 1099319303 /nfs/dbraw/zinc/31/93/03/1099319303.db2.gz SBXDZHVPRUTZOL-KRWDZBQOSA-N -1 3 367.445 4.073 20 0 FIADHM CC[C@H]1CN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000436787914 1099319893 /nfs/dbraw/zinc/31/98/93/1099319893.db2.gz RMNSOVWUNHIFLL-LPHOPBHVSA-N -1 3 366.461 4.007 20 0 FIADHM C[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCS1 ZINC000436805238 1099332588 /nfs/dbraw/zinc/33/25/88/1099332588.db2.gz DHUWGXYLEJOBGZ-INIZCTEOSA-N -1 3 355.503 4.145 20 0 FIADHM COCC1(C)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436812604 1099337171 /nfs/dbraw/zinc/33/71/71/1099337171.db2.gz FNTVRGNNYXCMLT-UHFFFAOYSA-N -1 3 355.434 4.073 20 0 FIADHM CC[C@H](c1nnc(NC(=O)c2cc(OC)ccc2[O-])s1)c1ccccc1 ZINC000436813687 1099339299 /nfs/dbraw/zinc/33/92/99/1099339299.db2.gz INSMAROPQJNLPU-AWEZNQCLSA-N -1 3 369.446 4.047 20 0 FIADHM COCC1(C)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436814015 1099339569 /nfs/dbraw/zinc/33/95/69/1099339569.db2.gz JTPBJMFYMGJMKN-UHFFFAOYSA-N -1 3 367.489 4.066 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c([O-])c1 ZINC000436821137 1099349327 /nfs/dbraw/zinc/34/93/27/1099349327.db2.gz UVRFVQGSPQWSEI-UHFFFAOYSA-N -1 3 357.460 4.210 20 0 FIADHM CCc1ccc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)c([O-])c1 ZINC000436823587 1099351095 /nfs/dbraw/zinc/35/10/95/1099351095.db2.gz BUOBAMNBRNNCNR-UHFFFAOYSA-N -1 3 367.367 4.168 20 0 FIADHM CCc1ccc(-c2nc(Cc3cc(Cl)c4c(c3)OCCO4)no2)c([O-])c1 ZINC000436842508 1099362743 /nfs/dbraw/zinc/36/27/43/1099362743.db2.gz WUHJDYCTMJKQBY-UHFFFAOYSA-N -1 3 372.808 4.020 20 0 FIADHM CCc1ccc(-c2nc(C(C)(C)c3ccc(OC)c(OC)c3)no2)c([O-])c1 ZINC000436876184 1099388143 /nfs/dbraw/zinc/38/81/43/1099388143.db2.gz GVQHLULFIJXNOK-UHFFFAOYSA-N -1 3 368.433 4.348 20 0 FIADHM Cc1nc(Cc2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cs1 ZINC000436889493 1099407679 /nfs/dbraw/zinc/40/76/79/1099407679.db2.gz CJJRXXPXDNDERB-UHFFFAOYSA-N -1 3 363.442 4.389 20 0 FIADHM Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000436907728 1099416561 /nfs/dbraw/zinc/41/65/61/1099416561.db2.gz YNGODIALZIKPEH-NRFANRHFSA-N -1 3 374.440 4.201 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1[O-] ZINC000436910674 1099418578 /nfs/dbraw/zinc/41/85/78/1099418578.db2.gz QXDOOOAWAFUMJQ-UHFFFAOYSA-N -1 3 350.374 4.149 20 0 FIADHM COc1cccc(-c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)c1[O-] ZINC000436922241 1099437009 /nfs/dbraw/zinc/43/70/09/1099437009.db2.gz XERURYCYLIJUMK-UHFFFAOYSA-N -1 3 355.781 4.176 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(c3ncc(C)s3)CC2)c([O-])c1 ZINC000436948137 1099458248 /nfs/dbraw/zinc/45/82/48/1099458248.db2.gz ICSCFHWGZQCVQY-UHFFFAOYSA-N -1 3 374.506 4.356 20 0 FIADHM CO[C@@](C)(c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1)C1CC1 ZINC000436954967 1099471648 /nfs/dbraw/zinc/47/16/48/1099471648.db2.gz JHHXGEXCCWHFPC-OAQYLSRUSA-N -1 3 366.417 4.293 20 0 FIADHM COc1cc(-c2nc(-c3ccc(C(C)(F)F)cc3)no2)cc(OC)c1[O-] ZINC000436956156 1099474002 /nfs/dbraw/zinc/47/40/02/1099474002.db2.gz PFIYIXYCZYLUHI-UHFFFAOYSA-N -1 3 362.332 4.238 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000436971506 1099479917 /nfs/dbraw/zinc/47/99/17/1099479917.db2.gz KEQUVVGQBWNJHA-MRXNPFEDSA-N -1 3 357.425 4.340 20 0 FIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436983000 1099487881 /nfs/dbraw/zinc/48/78/81/1099487881.db2.gz WGQKYGGVKBNZEO-YLJYHZDGSA-N -1 3 357.425 4.305 20 0 FIADHM O=C(c1ccccc1[O-])N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000436969951 1099489612 /nfs/dbraw/zinc/48/96/12/1099489612.db2.gz BRHWJFHDQGJUHI-UHFFFAOYSA-N -1 3 365.260 4.052 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@@H](c3ccccc3OC)C2)c([O-])c1 ZINC000436992293 1099494859 /nfs/dbraw/zinc/49/48/59/1099494859.db2.gz WFDHCNDTFZNNNC-MRXNPFEDSA-N -1 3 369.461 4.209 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000188775581 1099561510 /nfs/dbraw/zinc/56/15/10/1099561510.db2.gz IPAPEKQVEGVUCE-ZDUSSCGKSA-N -1 3 361.825 4.022 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000188775560 1099562292 /nfs/dbraw/zinc/56/22/92/1099562292.db2.gz IPAPEKQVEGVUCE-CYBMUJFWSA-N -1 3 361.825 4.022 20 0 FIADHM COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000505963716 1099590212 /nfs/dbraw/zinc/59/02/12/1099590212.db2.gz FBYSXOSCGZSIER-UHFFFAOYSA-N -1 3 368.216 4.309 20 0 FIADHM CCc1c([N-]S(=O)(=O)Cc2cccc(Cl)c2)cnn1CCC(C)C ZINC000516583092 1099619631 /nfs/dbraw/zinc/61/96/31/1099619631.db2.gz PPRHDYJLKDVPIB-UHFFFAOYSA-N -1 3 369.918 4.087 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C ZINC000516673713 1099705906 /nfs/dbraw/zinc/70/59/06/1099705906.db2.gz TVTSVFXTZBEOHM-UHFFFAOYSA-N -1 3 363.479 4.120 20 0 FIADHM O=C([O-])CC[C@H]1CCCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000263152022 1099766527 /nfs/dbraw/zinc/76/65/27/1099766527.db2.gz PNZFQCKBUDFXGI-QGZVFWFLSA-N -1 3 366.461 4.016 20 0 FIADHM CC(C)Sc1cc(Br)ccc1CN1CC[C@](C)(C(=O)[O-])C1 ZINC000263525010 1099799609 /nfs/dbraw/zinc/79/96/09/1099799609.db2.gz SWWZAWBOLOKCGT-INIZCTEOSA-N -1 3 372.328 4.246 20 0 FIADHM COc1ccccc1C(C)(C)NCc1cccc([O-])c1Br ZINC000459402622 1100109140 /nfs/dbraw/zinc/10/91/40/1100109140.db2.gz KJABESQNJALFJI-UHFFFAOYSA-N -1 3 350.256 4.188 20 0 FIADHM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000437732726 1100149673 /nfs/dbraw/zinc/14/96/73/1100149673.db2.gz FESVRWBEWKTIRU-ZDUSSCGKSA-N -1 3 374.510 4.153 20 0 FIADHM C[C@@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000517235882 1100209994 /nfs/dbraw/zinc/20/99/94/1100209994.db2.gz ZSNFXXVEJGDXFR-HIFRSBDPSA-N -1 3 361.388 4.300 20 0 FIADHM CCOc1cc(CNc2ccc3c(c2)CCC(=O)N3CC)cc(Cl)c1[O-] ZINC000459481429 1100217812 /nfs/dbraw/zinc/21/78/12/1100217812.db2.gz KTFDTBLAHAYGLA-UHFFFAOYSA-N -1 3 374.868 4.356 20 0 FIADHM C[C@@](O)(CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CC1 ZINC000536723464 1100246094 /nfs/dbraw/zinc/24/60/94/1100246094.db2.gz UEYMIQIICKUGBY-HXUWFJFHSA-N -1 3 368.458 4.159 20 0 FIADHM COC[C@@H](NCc1cccc([O-])c1Br)c1ccc(Cl)cc1 ZINC000459516041 1100256927 /nfs/dbraw/zinc/25/69/27/1100256927.db2.gz NFUNKXXUVIPQNX-CQSZACIVSA-N -1 3 370.674 4.285 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)c1Cl ZINC000506225684 1100645038 /nfs/dbraw/zinc/64/50/38/1100645038.db2.gz ULRPVYNLIGWNBS-GFCCVEGCSA-N -1 3 374.289 4.048 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c(C)c1 ZINC000517925663 1100798898 /nfs/dbraw/zinc/79/88/98/1100798898.db2.gz VJNLDCKKAUYIQJ-UHFFFAOYSA-N -1 3 368.458 4.078 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1 ZINC000438769621 1100907200 /nfs/dbraw/zinc/90/72/00/1100907200.db2.gz BWWPYUVWZGTHON-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(F)c(F)c(F)c3)s2)cc1 ZINC000518120080 1100918279 /nfs/dbraw/zinc/91/82/79/1100918279.db2.gz QGAINVDVPNWUNN-UHFFFAOYSA-N -1 3 363.364 4.107 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3sccc3SC)n2)cc1 ZINC000518374366 1101143541 /nfs/dbraw/zinc/14/35/41/1101143541.db2.gz SFSVACUEYKEXMY-UHFFFAOYSA-N -1 3 363.489 4.249 20 0 FIADHM Cc1nc(C2CCCC2)sc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000439147660 1101202863 /nfs/dbraw/zinc/20/28/63/1101202863.db2.gz OLEBPZCOZIEKRJ-UHFFFAOYSA-N -1 3 366.490 4.482 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)c2cccc(F)c2)[nH][n-]1 ZINC000439164180 1101208913 /nfs/dbraw/zinc/20/89/13/1101208913.db2.gz UATIRHKSMYJAOT-LLVKDONJSA-N -1 3 373.815 4.042 20 0 FIADHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1c(F)cccc1F ZINC000537028959 1101406837 /nfs/dbraw/zinc/40/68/37/1101406837.db2.gz YPJQNPCUHRHDKH-JTQLQIEISA-N -1 3 355.344 4.211 20 0 FIADHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000460011185 1101524745 /nfs/dbraw/zinc/52/47/45/1101524745.db2.gz PFZPPAOITJQWRT-CRAIPNDOSA-N -1 3 372.490 4.089 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000546145044 1101542176 /nfs/dbraw/zinc/54/21/76/1101542176.db2.gz FYYVZYBBNXGLBD-UHFFFAOYSA-N -1 3 353.378 4.388 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COCC(F)(F)F)nc(=O)c23)cc1C ZINC000055503451 1101676931 /nfs/dbraw/zinc/67/69/31/1101676931.db2.gz FHWJLCZAGSKUFY-UHFFFAOYSA-N -1 3 368.380 4.347 20 0 FIADHM Cc1nsc(C)c1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000519009841 1101823511 /nfs/dbraw/zinc/82/35/11/1101823511.db2.gz WXCILUXIXBCPAE-UHFFFAOYSA-N -1 3 367.261 4.131 20 0 FIADHM COc1ccccc1C1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000476135914 1101962560 /nfs/dbraw/zinc/96/25/60/1101962560.db2.gz DTNXLGRXRWEPSG-UHFFFAOYSA-N -1 3 351.324 4.090 20 0 FIADHM C[C@H]1[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCN1c1ccccc1 ZINC000476309445 1102098749 /nfs/dbraw/zinc/09/87/49/1102098749.db2.gz LLZAFPHNBUKPFE-WFASDCNBSA-N -1 3 364.367 4.265 20 0 FIADHM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000263444510 1102152183 /nfs/dbraw/zinc/15/21/83/1102152183.db2.gz XMGDIZIHAAMRRB-UHFFFAOYSA-N -1 3 368.296 4.474 20 0 FIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000475839595 1102214430 /nfs/dbraw/zinc/21/44/30/1102214430.db2.gz ZWVCIERKZYPLJQ-UHFFFAOYSA-N -1 3 359.781 4.012 20 0 FIADHM C[C@@H]1CC[C@](CNCc2csc(COc3ccccc3)n2)(CC(=O)[O-])C1 ZINC000426638428 1102223829 /nfs/dbraw/zinc/22/38/29/1102223829.db2.gz QOTSRGWMBIFJTN-FOIQADDNSA-N -1 3 374.506 4.093 20 0 FIADHM CCCCCc1nnc([N-]C(=O)c2nc(C(C)C)ncc2Cl)s1 ZINC000120591000 1102236767 /nfs/dbraw/zinc/23/67/67/1102236767.db2.gz UIFJJCIWPGXQER-UHFFFAOYSA-N -1 3 353.879 4.090 20 0 FIADHM Cc1cccc(C[C@H](CNCc2csc(-c3ccsc3)n2)C(=O)[O-])c1 ZINC000426654748 1102257269 /nfs/dbraw/zinc/25/72/69/1102257269.db2.gz AFRDDTQIIVEXTL-MRXNPFEDSA-N -1 3 372.515 4.213 20 0 FIADHM O=S(=O)([N-]CCCC(F)(F)F)c1c(Cl)ccc2ccccc21 ZINC000440396991 1102263690 /nfs/dbraw/zinc/26/36/90/1102263690.db2.gz IZZZEPPWWKNKPT-UHFFFAOYSA-N -1 3 351.777 4.114 20 0 FIADHM CCc1noc(C)c1[N-]C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000121039103 1102312197 /nfs/dbraw/zinc/31/21/97/1102312197.db2.gz VKCGCCFTIILNMG-UHFFFAOYSA-N -1 3 374.853 4.392 20 0 FIADHM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](C)c1cc2ccccc2o1 ZINC000121959463 1102501343 /nfs/dbraw/zinc/50/13/43/1102501343.db2.gz ZGEFVGKQSDUSTO-CYBMUJFWSA-N -1 3 366.417 4.320 20 0 FIADHM CC1(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]1c1cccnc1 ZINC000664825949 1102521882 /nfs/dbraw/zinc/52/18/82/1102521882.db2.gz UIRBZRCUHKPJQS-IBGZPJMESA-N -1 3 360.417 4.060 20 0 FIADHM CC1(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]1c1cccnc1 ZINC000664825952 1102522098 /nfs/dbraw/zinc/52/20/98/1102522098.db2.gz UIRBZRCUHKPJQS-LJQANCHMSA-N -1 3 360.417 4.060 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000476601996 1102527742 /nfs/dbraw/zinc/52/77/42/1102527742.db2.gz SLVCMIPANLSLNB-UHFFFAOYSA-N -1 3 362.838 4.006 20 0 FIADHM CCCC[C@@H](SCc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)OC ZINC000475872796 1102536161 /nfs/dbraw/zinc/53/61/61/1102536161.db2.gz DVYJTKMAMANFRY-CYBMUJFWSA-N -1 3 360.435 4.047 20 0 FIADHM Cc1cccc(C[C@H](CNCc2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000426672108 1102853967 /nfs/dbraw/zinc/85/39/67/1102853967.db2.gz YSGOLGLPSSYFAQ-CQSZACIVSA-N -1 3 352.261 4.335 20 0 FIADHM [O-]c1cccc(CN(CCC(F)(F)F)CC2CC2)c1Br ZINC000459350772 1102889824 /nfs/dbraw/zinc/88/98/24/1102889824.db2.gz JHABAHNCJNRDMV-UHFFFAOYSA-N -1 3 352.194 4.319 20 0 FIADHM O=C([O-])Cc1ccccc1CNCc1ccc(Cl)c(Br)c1 ZINC000426678450 1102924251 /nfs/dbraw/zinc/92/42/51/1102924251.db2.gz CGUAEYDUCLAVHH-UHFFFAOYSA-N -1 3 368.658 4.019 20 0 FIADHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCC(C)C ZINC000426695597 1102927133 /nfs/dbraw/zinc/92/71/33/1102927133.db2.gz NZAAGTHSHBTNTP-UHFFFAOYSA-N -1 3 357.450 4.108 20 0 FIADHM O=C([O-])[C@H](CNCc1c(F)cccc1Cl)Cc1ccccc1Cl ZINC000426700012 1102928152 /nfs/dbraw/zinc/92/81/52/1102928152.db2.gz NVFZNLWIKYPYSM-LBPRGKRZSA-N -1 3 356.224 4.166 20 0 FIADHM O=S(=O)([N-]Cc1cccc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000321837939 1102932540 /nfs/dbraw/zinc/93/25/40/1102932540.db2.gz HTUPHNHFPSOLKH-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM O=C([O-])C[C@H](CNCc1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000426708236 1102945195 /nfs/dbraw/zinc/94/51/95/1102945195.db2.gz HZOSTIMAECVZFX-GFCCVEGCSA-N -1 3 356.224 4.481 20 0 FIADHM Cc1cccc([C@H](NCc2csc(Br)c2)C(=O)[O-])c1C ZINC000426730040 1102949777 /nfs/dbraw/zinc/94/97/77/1102949777.db2.gz IYKVCGOJQIDVCK-AWEZNQCLSA-N -1 3 354.269 4.043 20 0 FIADHM CCOc1cc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)ccc1OC ZINC000614838708 1102956375 /nfs/dbraw/zinc/95/63/75/1102956375.db2.gz HRNSKMMDLSIPGP-UHFFFAOYSA-N -1 3 363.479 4.093 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000426742420 1102959418 /nfs/dbraw/zinc/95/94/18/1102959418.db2.gz JPNBDLFLEYFVIY-BZNIZROVSA-N -1 3 355.331 4.396 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Br)c(F)c1)c1ccccc1 ZINC000426745772 1102961919 /nfs/dbraw/zinc/96/19/19/1102961919.db2.gz VXYWGSQECIXITP-BZNIZROVSA-N -1 3 366.230 4.140 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cc3cc(OC)ccc3o2)cc1 ZINC000426727583 1102962377 /nfs/dbraw/zinc/96/23/77/1102962377.db2.gz PAUDYOJTVUYKST-LJQANCHMSA-N -1 3 369.417 4.146 20 0 FIADHM Cc1cc(C)c(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1C ZINC000426753619 1102969616 /nfs/dbraw/zinc/96/96/16/1102969616.db2.gz JPIYLBOLPWVLOM-OAQYLSRUSA-N -1 3 363.461 4.103 20 0 FIADHM Cc1cc(C)cc([C@H](NCc2ccc(F)c(Br)c2)C(=O)[O-])c1 ZINC000426757474 1102972253 /nfs/dbraw/zinc/97/22/53/1102972253.db2.gz OZVYFDDKOZZKMS-INIZCTEOSA-N -1 3 366.230 4.121 20 0 FIADHM Cc1cc(C)cc([C@@H](NCc2ccc(F)c(Br)c2)C(=O)[O-])c1 ZINC000426757475 1102972668 /nfs/dbraw/zinc/97/26/68/1102972668.db2.gz OZVYFDDKOZZKMS-MRXNPFEDSA-N -1 3 366.230 4.121 20 0 FIADHM Cc1cc(C)cc([C@H](NCc2cccc(OC(F)(F)F)c2)C(=O)[O-])c1 ZINC000426758689 1102973507 /nfs/dbraw/zinc/97/35/07/1102973507.db2.gz JEBZLOCUOFZQHZ-INIZCTEOSA-N -1 3 353.340 4.118 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)c(Br)c1)c1cccc(F)c1 ZINC000426761872 1102975184 /nfs/dbraw/zinc/97/51/84/1102975184.db2.gz FBYCQZKXWAWZOZ-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM COc1ccc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC000426771136 1102977666 /nfs/dbraw/zinc/97/76/66/1102977666.db2.gz ZBMQMGNNZPFDFQ-OAHLLOKOSA-N -1 3 369.248 4.093 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C(F)(F)F)cc2C)c1 ZINC000426775668 1102980797 /nfs/dbraw/zinc/98/07/97/1102980797.db2.gz UDSCQAFJAXYZRX-QGZVFWFLSA-N -1 3 367.367 4.328 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OCC(C)C)cc2)c1 ZINC000426779275 1102982148 /nfs/dbraw/zinc/98/21/48/1102982148.db2.gz GAXIQMSQQWIOKE-FQEVSTJZSA-N -1 3 357.450 4.036 20 0 FIADHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)ccc1SC ZINC000426781179 1102982377 /nfs/dbraw/zinc/98/23/77/1102982377.db2.gz YZZUHVOULSTAHK-KRWDZBQOSA-N -1 3 365.882 4.294 20 0 FIADHM Cc1cc([C@@H](NCc2ccc(OC(F)F)cc2)C(=O)[O-])ccc1Cl ZINC000426781525 1102983646 /nfs/dbraw/zinc/98/36/46/1102983646.db2.gz CMLBQDVWADZDDQ-OAHLLOKOSA-N -1 3 355.768 4.165 20 0 FIADHM CCCOc1c(Cl)cc(CN[C@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426787061 1102990950 /nfs/dbraw/zinc/99/09/50/1102990950.db2.gz ALUSUSIIAPSRCT-HNNXBMFYSA-N -1 3 369.870 4.114 20 0 FIADHM COc1ccc([C@@H](NCc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1F ZINC000426797264 1102996186 /nfs/dbraw/zinc/99/61/86/1102996186.db2.gz DNPWTVBRLPAIKN-OAHLLOKOSA-N -1 3 358.196 4.057 20 0 FIADHM Cc1cc([C@@H](NCc2ccc(OCC3CC3)cc2)C(=O)[O-])ccc1Cl ZINC000426804769 1103001665 /nfs/dbraw/zinc/00/16/65/1103001665.db2.gz WOIBBTNVGOFNKK-LJQANCHMSA-N -1 3 359.853 4.353 20 0 FIADHM Cc1cc([C@H](NCc2ccc(OCC3CC3)cc2)C(=O)[O-])ccc1Cl ZINC000426804768 1103002743 /nfs/dbraw/zinc/00/27/43/1103002743.db2.gz WOIBBTNVGOFNKK-IBGZPJMESA-N -1 3 359.853 4.353 20 0 FIADHM Cc1cc([C@H](NCc2ccc(Br)cc2)C(=O)[O-])ccc1Cl ZINC000426808692 1103004695 /nfs/dbraw/zinc/00/46/95/1103004695.db2.gz NLYQGEVMNBBOBP-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM Cc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000426810418 1103007047 /nfs/dbraw/zinc/00/70/47/1103007047.db2.gz ZKBVBNBSQLBILJ-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000614863637 1103012208 /nfs/dbraw/zinc/01/22/08/1103012208.db2.gz OHLHRKVTAQIILY-UHFFFAOYSA-N -1 3 359.491 4.462 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000426826329 1103024386 /nfs/dbraw/zinc/02/43/86/1103024386.db2.gz DRTORGDELJXHMJ-HNNXBMFYSA-N -1 3 368.658 4.408 20 0 FIADHM CCCCOc1ncccc1CNCc1cccc([O-])c1Br ZINC000459380088 1103048816 /nfs/dbraw/zinc/04/88/16/1103048816.db2.gz ASCNXEMZINOCLW-UHFFFAOYSA-N -1 3 365.271 4.018 20 0 FIADHM O=c1[n-]nc(SCc2cccc(C(F)F)c2)n1CCc1ccccc1 ZINC000475938146 1103145455 /nfs/dbraw/zinc/14/54/55/1103145455.db2.gz HYDDJUHAJCYGQF-UHFFFAOYSA-N -1 3 361.417 4.456 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN1c1ccccc1 ZINC000427067942 1103226685 /nfs/dbraw/zinc/22/66/85/1103226685.db2.gz UQCLSZYINUZRJE-OAHLLOKOSA-N -1 3 350.340 4.019 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCN1c1ccccc1 ZINC000427067941 1103227048 /nfs/dbraw/zinc/22/70/48/1103227048.db2.gz UQCLSZYINUZRJE-HNNXBMFYSA-N -1 3 350.340 4.019 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Cl)c2c(c1)OCCCO2 ZINC000532837059 1103260263 /nfs/dbraw/zinc/26/02/63/1103260263.db2.gz KEVBTDBPKSSWQI-UHFFFAOYSA-N -1 3 354.189 4.113 20 0 FIADHM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000532838220 1103262883 /nfs/dbraw/zinc/26/28/83/1103262883.db2.gz VIMZWZJPHJRNQT-UHFFFAOYSA-N -1 3 374.868 4.416 20 0 FIADHM CCCCCn1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c2ccccc21 ZINC000473854700 1103283074 /nfs/dbraw/zinc/28/30/74/1103283074.db2.gz YZALZWXAUYFPIZ-LJQANCHMSA-N -1 3 366.465 4.080 20 0 FIADHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)s1 ZINC000427249111 1103378573 /nfs/dbraw/zinc/37/85/73/1103378573.db2.gz JIIYKIIGYYNWRU-SECBINFHSA-N -1 3 365.307 4.106 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2coc(-c3cccc(Cl)c3)n2)n1 ZINC000477353245 1103391867 /nfs/dbraw/zinc/39/18/67/1103391867.db2.gz NQNUWLOWOYBCRD-UHFFFAOYSA-N -1 3 361.854 4.486 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1 ZINC000427345756 1103469149 /nfs/dbraw/zinc/46/91/49/1103469149.db2.gz QKTUYACHNKNUHF-UHFFFAOYSA-N -1 3 372.446 4.240 20 0 FIADHM O=c1ccnc(C(=Cc2ccn(-c3ccccc3)n2)Cc2ccccc2)[n-]1 ZINC000477411944 1103471590 /nfs/dbraw/zinc/47/15/90/1103471590.db2.gz JZOIQEWNRJVIJQ-FBMGVBCBSA-N -1 3 354.413 4.151 20 0 FIADHM CCOC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)on2)c(F)cc1C ZINC000551680748 1103501379 /nfs/dbraw/zinc/50/13/79/1103501379.db2.gz XCOLCBMBXIGGTI-UHFFFAOYSA-N -1 3 368.364 4.218 20 0 FIADHM CC(=O)Nc1ccc(-c2nc3scc(C)c3c(=O)[n-]2)cc1C(F)(F)F ZINC000507694451 1103621334 /nfs/dbraw/zinc/62/13/34/1103621334.db2.gz YFFQGIXYQGXWDD-UHFFFAOYSA-N -1 3 367.352 4.350 20 0 FIADHM COc1cccc(C=C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c1 ZINC000551847897 1103720606 /nfs/dbraw/zinc/72/06/06/1103720606.db2.gz PBIUOVZXFQJUNQ-UHFFFAOYSA-N -1 3 357.837 4.374 20 0 FIADHM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000613177647 1103729879 /nfs/dbraw/zinc/72/98/79/1103729879.db2.gz AULNCZOSLFPOSI-UHFFFAOYSA-N -1 3 354.406 4.271 20 0 FIADHM CC[C@@](C)(NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(F)(F)F ZINC000519630074 1103753034 /nfs/dbraw/zinc/75/30/34/1103753034.db2.gz XAIVHTFHYUIUHK-OAHLLOKOSA-N -1 3 371.384 4.478 20 0 FIADHM CC[C@@H]1Cc2ccccc2CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000519647751 1103765835 /nfs/dbraw/zinc/76/58/35/1103765835.db2.gz SVBVEPMECONGJX-QGZVFWFLSA-N -1 3 359.853 4.254 20 0 FIADHM CC(C)(C)OC(=O)CCSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000440588036 1103813627 /nfs/dbraw/zinc/81/36/27/1103813627.db2.gz KRJZRXQNWLBSOJ-UHFFFAOYSA-N -1 3 360.435 4.047 20 0 FIADHM CNc1ccc(Cl)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000519779816 1103867983 /nfs/dbraw/zinc/86/79/83/1103867983.db2.gz QMNIBFXDKBYAAG-UHFFFAOYSA-N -1 3 355.619 4.102 20 0 FIADHM Cc1ccc(C(=O)c2ccsc2[N-]C(=O)c2cc(C3CC3)no2)cc1 ZINC000440907490 1104032209 /nfs/dbraw/zinc/03/22/09/1104032209.db2.gz WWARCTOKBDUQPI-UHFFFAOYSA-N -1 3 352.415 4.405 20 0 FIADHM CSc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1C ZINC000538268612 1104089698 /nfs/dbraw/zinc/08/96/98/1104089698.db2.gz KREZMORNFNXJQI-UHFFFAOYSA-N -1 3 356.422 4.258 20 0 FIADHM CCc1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c([O-])c1 ZINC000189923321 1104865098 /nfs/dbraw/zinc/86/50/98/1104865098.db2.gz DUWPGTJVQIBJTG-UHFFFAOYSA-N -1 3 363.461 4.050 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sccc3C(C)C)c2)n1 ZINC000053060924 1105007084 /nfs/dbraw/zinc/00/70/84/1105007084.db2.gz XGTMPATZGSVSCQ-UHFFFAOYSA-N -1 3 367.474 4.437 20 0 FIADHM COc1cc(-c2ccccc2)ccc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417627206 1105026763 /nfs/dbraw/zinc/02/67/63/1105026763.db2.gz OBEOCFWLBXCCQM-MRXNPFEDSA-N -1 3 367.367 4.105 20 0 FIADHM CCC[C@@H](CCCCNCc1cccc(F)c1Br)C(=O)[O-] ZINC000417635458 1105039018 /nfs/dbraw/zinc/03/90/18/1105039018.db2.gz FAPGVNUWQLQSJC-LBPRGKRZSA-N -1 3 360.267 4.349 20 0 FIADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000614622206 1105047912 /nfs/dbraw/zinc/04/79/12/1105047912.db2.gz KDUGUISDFWMFDY-MWLCHTKSSA-N -1 3 360.262 4.188 20 0 FIADHM CCc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cnn1CCC(C)C ZINC000427630141 1105161819 /nfs/dbraw/zinc/16/18/19/1105161819.db2.gz LPSSDHOUVIPKGR-UHFFFAOYSA-N -1 3 369.387 4.468 20 0 FIADHM COc1cccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1[O-] ZINC000320780195 1105207530 /nfs/dbraw/zinc/20/75/30/1105207530.db2.gz GRPVOXSPAJGTMO-UHFFFAOYSA-N -1 3 351.189 4.348 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c1Cl ZINC000508021794 1105303083 /nfs/dbraw/zinc/30/30/83/1105303083.db2.gz GTQVBPOSWZCUPM-UHFFFAOYSA-N -1 3 369.273 4.262 20 0 FIADHM CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C ZINC001211897476 1106884021 /nfs/dbraw/zinc/88/40/21/1106884021.db2.gz WEZGQAJVBAYMCT-CYBMUJFWSA-N -1 3 366.296 4.081 20 0 FIADHM Cc1cc([C@@H](C)N2CCC[C@]3(CCc4ccccc4O3)C2)oc1C(=O)[O-] ZINC000530173284 1106903711 /nfs/dbraw/zinc/90/37/11/1106903711.db2.gz TZFMTHSNXUNPKF-VFNWGFHPSA-N -1 3 355.434 4.207 20 0 FIADHM CCc1ccc(-c2nc(CN3[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]3C)cs2)cc1 ZINC000530179049 1106906401 /nfs/dbraw/zinc/90/64/01/1106906401.db2.gz LCVFMEIWRTZQIT-XOIINTDNSA-N -1 3 358.507 4.446 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(c2ccccc2F)CC1 ZINC000530333537 1106979489 /nfs/dbraw/zinc/97/94/89/1106979489.db2.gz WHAPASSWVXSLDI-UHFFFAOYSA-N -1 3 359.416 4.399 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)c3cccs3)nc2)n1 ZINC000301280694 1106979746 /nfs/dbraw/zinc/97/97/46/1106979746.db2.gz MDDOJWFCYOCUEJ-UHFFFAOYSA-N -1 3 354.479 4.258 20 0 FIADHM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000530400153 1107003592 /nfs/dbraw/zinc/00/35/92/1107003592.db2.gz ITVZLJSZTQGXLQ-UHFFFAOYSA-N -1 3 367.268 4.124 20 0 FIADHM CCS[C@H]1CCC[C@@H](Nc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000301509703 1107052902 /nfs/dbraw/zinc/05/29/02/1107052902.db2.gz CRNPEHYJSLXKOC-CVEARBPZSA-N -1 3 358.511 4.283 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4ccccc4)[C@@H]3C)nc2)n1 ZINC000301584335 1107076668 /nfs/dbraw/zinc/07/66/68/1107076668.db2.gz QQHSJDZGTFXYBV-HNAYVOBHSA-N -1 3 360.461 4.189 20 0 FIADHM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000451677631 1107242716 /nfs/dbraw/zinc/24/27/16/1107242716.db2.gz VEMBQUYRXWTUIM-KDOFPFPSSA-N -1 3 357.425 4.082 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@H]1c1c(F)cccc1F ZINC000530777761 1107314942 /nfs/dbraw/zinc/31/49/42/1107314942.db2.gz RLQMOYRULWIOIK-ZJUUUORDSA-N -1 3 368.177 4.175 20 0 FIADHM O=c1[n-]c(CN2CC3(CCC3)[C@@H]2c2ccco2)nc2c3ccccc3oc21 ZINC000451851472 1107345018 /nfs/dbraw/zinc/34/50/18/1107345018.db2.gz JEPOEMIAOOLXHX-IBGZPJMESA-N -1 3 361.401 4.402 20 0 FIADHM CC(C)(C)c1ncsc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000530849967 1107357920 /nfs/dbraw/zinc/35/79/20/1107357920.db2.gz IEOIXESPIZEMGB-UHFFFAOYSA-N -1 3 355.257 4.161 20 0 FIADHM Cc1ncc(CN[C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)c(=O)[n-]1 ZINC000544384449 1107513176 /nfs/dbraw/zinc/51/31/76/1107513176.db2.gz QWQRWNGNUVGLFC-NRFANRHFSA-N -1 3 374.419 4.057 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000531253664 1107705665 /nfs/dbraw/zinc/70/56/65/1107705665.db2.gz AKGONANVLIFMFG-CMPLNLGQSA-N -1 3 368.177 4.175 20 0 FIADHM Cc1c([O-])ccc2c(CN3CCSC[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000303641322 1107727784 /nfs/dbraw/zinc/72/77/84/1107727784.db2.gz HQRCSHOXUBVZFG-GOSISDBHSA-N -1 3 367.470 4.097 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(NC(=O)C2CCCCC2)c1 ZINC000531373907 1107816821 /nfs/dbraw/zinc/81/68/21/1107816821.db2.gz XGMAAGUDJHEVDW-UHFFFAOYSA-N -1 3 356.397 4.302 20 0 FIADHM COc1cccc([C@H](C)CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000531476779 1107917119 /nfs/dbraw/zinc/91/71/19/1107917119.db2.gz MBGCJDRCHAHQKG-LLVKDONJSA-N -1 3 364.239 4.296 20 0 FIADHM CC[C@H](C)n1nc(C(=O)Nc2c([O-])ccc(Br)c2C)cc1C ZINC000452756088 1107934063 /nfs/dbraw/zinc/93/40/63/1107934063.db2.gz NMPXSNHYMJVBEZ-VIFPVBQESA-N -1 3 366.259 4.191 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccn(C2CCCC2)n1 ZINC000452761658 1107940969 /nfs/dbraw/zinc/94/09/69/1107940969.db2.gz XLVFLEOOYQOJMP-UHFFFAOYSA-N -1 3 364.243 4.027 20 0 FIADHM C[C@@H](SC[C@H]1CCOC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000546542425 1107964539 /nfs/dbraw/zinc/96/45/39/1107964539.db2.gz UEILRPVJBPRSKQ-MNOVXSKESA-N -1 3 362.476 4.488 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])C1CC(c2cccc(F)c2)C1 ZINC000523360223 1108142473 /nfs/dbraw/zinc/14/24/73/1108142473.db2.gz DNGBPNLFTJOTSG-UHFFFAOYSA-N -1 3 364.214 4.426 20 0 FIADHM CCO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000444983325 1108343447 /nfs/dbraw/zinc/34/34/47/1108343447.db2.gz ZVHWCWAHNWKJRW-OAHLLOKOSA-N -1 3 374.289 4.050 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c(C)c1 ZINC000523643549 1108391575 /nfs/dbraw/zinc/39/15/75/1108391575.db2.gz DPSOVYVJPQZFMD-UHFFFAOYSA-N -1 3 368.458 4.175 20 0 FIADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccoc1Br ZINC000193548995 1108777048 /nfs/dbraw/zinc/77/70/48/1108777048.db2.gz XYSDWLAUDYUEPD-UHFFFAOYSA-N -1 3 370.272 4.269 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(O)ccc2Br)CC)n1 ZINC000193618206 1108783469 /nfs/dbraw/zinc/78/34/69/1108783469.db2.gz NHEMGCWIMDQMHM-DHZHZOJOSA-N -1 3 363.255 4.141 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(OC)c(OCC)c(OC)c2)CC)n1 ZINC000193619361 1108784143 /nfs/dbraw/zinc/78/41/43/1108784143.db2.gz YTKUIYNVIFMZFY-XNTDXEJSSA-N -1 3 372.465 4.089 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(Br)cc3F)no2)c1 ZINC000445455048 1108788529 /nfs/dbraw/zinc/78/85/29/1108788529.db2.gz ILXCUIHNTCTDLZ-UHFFFAOYSA-N -1 3 365.158 4.019 20 0 FIADHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1cc(Cl)cc(Cl)c1 ZINC000016129224 1108910956 /nfs/dbraw/zinc/91/09/56/1108910956.db2.gz XEAAJMRVSUJDLI-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM Cc1sc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1-c1ccc(F)cc1 ZINC000445788433 1108988136 /nfs/dbraw/zinc/98/81/36/1108988136.db2.gz BFFVDBFOPSJIEM-UHFFFAOYSA-N -1 3 368.393 4.493 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(C)c1 ZINC000525011513 1109237254 /nfs/dbraw/zinc/23/72/54/1109237254.db2.gz LKTICIZCYPSEPV-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000525104537 1109265301 /nfs/dbraw/zinc/26/53/01/1109265301.db2.gz HFLULEBZKRIJGH-UHFFFAOYSA-N -1 3 362.414 4.421 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1F ZINC000447263733 1109490609 /nfs/dbraw/zinc/49/06/09/1109490609.db2.gz JOJPQOVZCXHOLY-UHFFFAOYSA-N -1 3 365.357 4.034 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000525753749 1109509421 /nfs/dbraw/zinc/50/94/21/1109509421.db2.gz PQCWLUCRLPFKNM-UHFFFAOYSA-N -1 3 370.792 4.064 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3C[C@@H]3C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000525778555 1109516099 /nfs/dbraw/zinc/51/60/99/1109516099.db2.gz HUHLRYNEKVIOET-IEBWSBKVSA-N -1 3 366.465 4.248 20 0 FIADHM Cc1cc(C)c(-c2csc(NC(=O)c3cccc4n[n-]nc43)n2)c(C)c1 ZINC000526114914 1109624738 /nfs/dbraw/zinc/62/47/38/1109624738.db2.gz IURKRDKDVBOGNN-UHFFFAOYSA-N -1 3 363.446 4.259 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(Sc3ccc(Cl)cc3)CC2)n1 ZINC000447886980 1109667469 /nfs/dbraw/zinc/66/74/69/1109667469.db2.gz XQNKHXZTOQKOAP-CYBMUJFWSA-N -1 3 363.914 4.462 20 0 FIADHM O=c1[n-]c(CN[C@H](c2ccccn2)C2CCC2)nc2c3ccccc3oc21 ZINC000528660395 1110065937 /nfs/dbraw/zinc/06/59/37/1110065937.db2.gz SECPRXDQNAIHFZ-SFHVURJKSA-N -1 3 360.417 4.108 20 0 FIADHM CCc1cccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c1[O-] ZINC000538744516 1111278427 /nfs/dbraw/zinc/27/84/27/1111278427.db2.gz VCMJPFUGIFCPLT-SCLBCKFNSA-N -1 3 359.853 4.210 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c(C)c1 ZINC000539111808 1111435785 /nfs/dbraw/zinc/43/57/85/1111435785.db2.gz ZOTTXVWXEOWFLS-UHFFFAOYSA-N -1 3 373.396 4.354 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)c[n-]c12 ZINC000539368434 1111532820 /nfs/dbraw/zinc/53/28/20/1111532820.db2.gz NJUTVAGPVHDKTR-UHFFFAOYSA-N -1 3 361.376 4.223 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1[O-] ZINC000552287601 1111651625 /nfs/dbraw/zinc/65/16/25/1111651625.db2.gz WVWPBDVZMJJBSS-UHFFFAOYSA-N -1 3 368.614 4.263 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)c([O-])c1 ZINC000552389293 1111696533 /nfs/dbraw/zinc/69/65/33/1111696533.db2.gz UZNWAHJLOJVDGD-GOSISDBHSA-N -1 3 371.433 4.064 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000478276508 1111738492 /nfs/dbraw/zinc/73/84/92/1111738492.db2.gz GEFGXGCKDJCEDW-UHFFFAOYSA-N -1 3 354.356 4.026 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000552780522 1111810377 /nfs/dbraw/zinc/81/03/77/1111810377.db2.gz BKVCLNWXBYJTTD-UHFFFAOYSA-N -1 3 371.799 4.111 20 0 FIADHM O=C(COc1ccc(Oc2ccccn2)cc1)Nc1c([O-])cccc1Cl ZINC000552781451 1111810428 /nfs/dbraw/zinc/81/04/28/1111810428.db2.gz FSRDKXYRPAIBGX-UHFFFAOYSA-N -1 3 370.792 4.250 20 0 FIADHM CC[C@@H](C)Oc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000553207037 1111930404 /nfs/dbraw/zinc/93/04/04/1111930404.db2.gz OVRHMLZQKXPCFI-CYBMUJFWSA-N -1 3 368.408 4.405 20 0 FIADHM CSc1nsc([N-]C(=O)c2sc(C3CCCCC3)nc2C)n1 ZINC000553427857 1111975029 /nfs/dbraw/zinc/97/50/29/1111975029.db2.gz PTMJACQDWMRQJP-UHFFFAOYSA-N -1 3 354.526 4.325 20 0 FIADHM [O-]c1cc(F)cc(CNc2cccc(-n3cc(C(F)(F)F)cn3)c2)c1 ZINC000479477100 1112037621 /nfs/dbraw/zinc/03/76/21/1112037621.db2.gz SFBPUTKGOULXAV-UHFFFAOYSA-N -1 3 351.303 4.348 20 0 FIADHM CCc1cc(O)ccc1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000479563308 1112073476 /nfs/dbraw/zinc/07/34/76/1112073476.db2.gz BKDMADXCGAELBW-UHFFFAOYSA-N -1 3 364.405 4.070 20 0 FIADHM COc1cc(CN(C)C(=O)c2cc(SC)ccc2[O-])ccc1SC ZINC000667580669 1112213421 /nfs/dbraw/zinc/21/34/21/1112213421.db2.gz CZMPGEHARRCQAM-UHFFFAOYSA-N -1 3 363.504 4.117 20 0 FIADHM COC(=O)c1cnc(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)[n-]1 ZINC000554397030 1112331723 /nfs/dbraw/zinc/33/17/23/1112331723.db2.gz BGMMDHUMVXYEOI-HNNXBMFYSA-N -1 3 366.870 4.110 20 0 FIADHM CCc1c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cnn1C(CC)CC ZINC000480244919 1112341696 /nfs/dbraw/zinc/34/16/96/1112341696.db2.gz HUTSWOHARZJCBZ-HNNXBMFYSA-N -1 3 363.527 4.352 20 0 FIADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554524944 1112390061 /nfs/dbraw/zinc/39/00/61/1112390061.db2.gz YKLBRDVRQDXVJK-KBPBESRZSA-N -1 3 356.857 4.066 20 0 FIADHM CC(C)(C)C1CCC(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000480456748 1112430586 /nfs/dbraw/zinc/43/05/86/1112430586.db2.gz RWKTXSQTQHSYPU-UHFFFAOYSA-N -1 3 366.527 4.239 20 0 FIADHM COc1cc(C2(C(=O)Nc3cccc(C(C)=O)c3[O-])CCCC2)ccc1C ZINC000554695128 1112446932 /nfs/dbraw/zinc/44/69/32/1112446932.db2.gz ARFFTABDNAODQQ-UHFFFAOYSA-N -1 3 367.445 4.362 20 0 FIADHM COc1ccc(-c2csc3ncnc(NCc4ncccc4[O-])c23)cc1 ZINC000480573971 1112485713 /nfs/dbraw/zinc/48/57/13/1112485713.db2.gz FMXNBGRTGFHYMN-UHFFFAOYSA-N -1 3 364.430 4.080 20 0 FIADHM CN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000899165696 1112641110 /nfs/dbraw/zinc/64/11/10/1112641110.db2.gz QFZDETZXFOIIOA-DYVFJYSZSA-N -1 3 362.420 4.093 20 0 FIADHM CCC(CC)(CNCc1csc(COc2ccc(C)cc2)n1)C(=O)[O-] ZINC000901719436 1113340844 /nfs/dbraw/zinc/34/08/44/1113340844.db2.gz JCRHMSSGUGHLOP-UHFFFAOYSA-N -1 3 362.495 4.011 20 0 FIADHM O=c1cc(C=Cc2csc(Cl)c2Cl)nc(-c2ccncc2)[n-]1 ZINC000486078863 1113500009 /nfs/dbraw/zinc/50/00/09/1113500009.db2.gz RHDPETKFDNTGFK-OWOJBTEDSA-N -1 3 350.230 4.371 20 0 FIADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486430880 1113567141 /nfs/dbraw/zinc/56/71/41/1113567141.db2.gz OVOKIYSUVNSNRP-ZLDLUXBVSA-N -1 3 367.287 4.017 20 0 FIADHM CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000827974077 1113611187 /nfs/dbraw/zinc/61/11/87/1113611187.db2.gz SLGWZVXRUQDZOJ-ZDUSSCGKSA-N -1 3 368.449 4.142 20 0 FIADHM O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1c(Cl)ccc2ccccc21 ZINC000486679577 1113621222 /nfs/dbraw/zinc/62/12/22/1113621222.db2.gz DCUNWGAFAXCSFU-LBPRGKRZSA-N -1 3 359.825 4.349 20 0 FIADHM O=C([O-])c1cc(NC(=O)[C@H]2CCCCN2C2CCCC2)cc2ccccc21 ZINC000910359899 1113853816 /nfs/dbraw/zinc/85/38/16/1113853816.db2.gz OGFLYFDJCOAEMT-HXUWFJFHSA-N -1 3 366.461 4.274 20 0 FIADHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)c(Sc2ccccc2)n1 ZINC000488208481 1113878849 /nfs/dbraw/zinc/87/88/49/1113878849.db2.gz DGTGOBPUDHJNBO-UHFFFAOYSA-N -1 3 368.433 4.316 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc2ccccc21 ZINC000488670177 1113970893 /nfs/dbraw/zinc/97/08/93/1113970893.db2.gz GFEFAIXGLURGDY-UHFFFAOYSA-N -1 3 356.219 4.238 20 0 FIADHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cc(Cl)ccc1Cl ZINC000489052678 1114038153 /nfs/dbraw/zinc/03/81/53/1114038153.db2.gz USRFIQPPPZUYCD-VIFPVBQESA-N -1 3 357.212 4.399 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccc(-c2ccccc2)cc1F ZINC000489173191 1114062929 /nfs/dbraw/zinc/06/29/29/1114062929.db2.gz UTVUINQFPRQPEL-UHFFFAOYSA-N -1 3 368.383 4.337 20 0 FIADHM CC(C)(C)OC1CC(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000489609079 1114143602 /nfs/dbraw/zinc/14/36/02/1114143602.db2.gz RBFCNTDHAOCQHL-UHFFFAOYSA-N -1 3 368.437 4.140 20 0 FIADHM O=c1nc(CN2CCc3cccc(F)c32)[n-]c2scc(-c3ccco3)c21 ZINC000490047128 1114209877 /nfs/dbraw/zinc/20/98/77/1114209877.db2.gz JINFOQDWFHYGMH-UHFFFAOYSA-N -1 3 367.405 4.359 20 0 FIADHM Cc1nc(S(=O)(=O)Cc2cc3ccccc3o2)[n-]c1-c1ccccc1 ZINC000490420288 1114286118 /nfs/dbraw/zinc/28/61/18/1114286118.db2.gz RZPSXUGOBVUBRU-UHFFFAOYSA-N -1 3 352.415 4.105 20 0 FIADHM Cc1[n-]c(S(=O)(=O)Cc2cc3ccccc3o2)nc1-c1ccccc1 ZINC000490420288 1114286121 /nfs/dbraw/zinc/28/61/21/1114286121.db2.gz RZPSXUGOBVUBRU-UHFFFAOYSA-N -1 3 352.415 4.105 20 0 FIADHM Cc1ccc(-c2nc(CN3C[C@@H](C(=O)[O-])[C@@H](c4ccccc4)C3)cs2)o1 ZINC000571290720 1114453579 /nfs/dbraw/zinc/45/35/79/1114453579.db2.gz HHFJLTJRFBVLSB-IAGOWNOFSA-N -1 3 368.458 4.012 20 0 FIADHM CCOCCOCc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000572326829 1114630758 /nfs/dbraw/zinc/63/07/58/1114630758.db2.gz ICUDLDJTOMWJMS-UHFFFAOYSA-N -1 3 365.429 4.351 20 0 FIADHM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000590264483 1114917830 /nfs/dbraw/zinc/91/78/30/1114917830.db2.gz ABMYQKVISIJBDM-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(Br)cc1[O-] ZINC000591132321 1115024086 /nfs/dbraw/zinc/02/40/86/1115024086.db2.gz BXNFWYIBTZLECO-UHFFFAOYSA-N -1 3 374.156 4.355 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cnc(C2CC2)s1 ZINC000591154276 1115030759 /nfs/dbraw/zinc/03/07/59/1115030759.db2.gz OAJAUHXZXPLZOX-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc([O-])ccc1Cl)CC3 ZINC000498399685 1115127741 /nfs/dbraw/zinc/12/77/41/1115127741.db2.gz SSMVGIXOIPEJFP-GFCCVEGCSA-N -1 3 354.837 4.123 20 0 FIADHM C[C@H](CSCCNCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000592461482 1115234850 /nfs/dbraw/zinc/23/48/50/1115234850.db2.gz HWJVCLSHCMOUBV-GFCCVEGCSA-N -1 3 353.871 4.144 20 0 FIADHM CC[C@@H](C)Oc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)ccc1OC ZINC000669482995 1115317126 /nfs/dbraw/zinc/31/71/26/1115317126.db2.gz ZYTWQXCYJOFMFR-OAHLLOKOSA-N -1 3 357.450 4.169 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCCc3ccccc3)nc(=O)c2c1C ZINC000046561298 1115420042 /nfs/dbraw/zinc/42/00/42/1115420042.db2.gz ICUAZLVMTXJWBI-CYBMUJFWSA-N -1 3 370.474 4.229 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)CCCc3ccccc3)nc(=O)c2c1C ZINC000046561299 1115420331 /nfs/dbraw/zinc/42/03/31/1115420331.db2.gz ICUAZLVMTXJWBI-ZDUSSCGKSA-N -1 3 370.474 4.229 20 0 FIADHM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)O1 ZINC000669712335 1115856698 /nfs/dbraw/zinc/85/66/98/1115856698.db2.gz WZKCFTGZSFEMKX-VNBZBWLYSA-N -1 3 368.458 4.421 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1C ZINC000605612831 1115911650 /nfs/dbraw/zinc/91/16/50/1115911650.db2.gz DKMJRQVBOFUAJN-UHFFFAOYSA-N -1 3 373.478 4.125 20 0 FIADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000606419025 1115942007 /nfs/dbraw/zinc/94/20/07/1115942007.db2.gz JGGVNCWGPGHXIH-ZHRRBRCNSA-N -1 3 360.457 4.450 20 0 FIADHM O=S(=O)([N-]C(c1cccs1)c1cccs1)c1ccc(F)cc1F ZINC000606460773 1115946047 /nfs/dbraw/zinc/94/60/47/1115946047.db2.gz SWYGRTITDROHRL-UHFFFAOYSA-N -1 3 371.455 4.156 20 0 FIADHM O=C(NCc1ccc(Oc2ccccc2)cc1)NCc1ccc([O-])c(F)c1 ZINC000606664678 1115961576 /nfs/dbraw/zinc/96/15/76/1115961576.db2.gz RZUBHPDDESWGBF-UHFFFAOYSA-N -1 3 366.392 4.323 20 0 FIADHM O=S(=O)([N-]c1ccc2nccn2c1)c1ccc2oc3ccccc3c2c1 ZINC000606752021 1115967388 /nfs/dbraw/zinc/96/73/88/1115967388.db2.gz JGKCYWDCFKVXOQ-UHFFFAOYSA-N -1 3 363.398 4.035 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3sccc3C3CC3)nc(=O)c2c1C ZINC000063974164 1116130512 /nfs/dbraw/zinc/13/05/12/1116130512.db2.gz KRZMPQQIFRSDIX-SECBINFHSA-N -1 3 374.487 4.458 20 0 FIADHM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000609016127 1116140669 /nfs/dbraw/zinc/14/06/69/1116140669.db2.gz ZMDQOGNAFZJQRR-UHFFFAOYSA-N -1 3 355.912 4.355 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2sc([C@@H](C)OC)nc2C)c1F ZINC000534037729 1116148738 /nfs/dbraw/zinc/14/87/38/1116148738.db2.gz RUDHTLLWUMAADP-SECBINFHSA-N -1 3 356.394 4.088 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cncc(Cl)c1 ZINC000534242574 1116175029 /nfs/dbraw/zinc/17/50/29/1116175029.db2.gz OXPGJSUBNVMFLW-UHFFFAOYSA-N -1 3 371.167 4.208 20 0 FIADHM CN(C)[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1c(F)cccc1Cl ZINC000534704314 1116227534 /nfs/dbraw/zinc/22/75/34/1116227534.db2.gz GJRZTPZNFGBTEG-HNNXBMFYSA-N -1 3 357.212 4.080 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000535102748 1116270040 /nfs/dbraw/zinc/27/00/40/1116270040.db2.gz ZNWDMMQAECZGQT-FQEVSTJZSA-N -1 3 352.434 4.012 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000462379112 1116341989 /nfs/dbraw/zinc/34/19/89/1116341989.db2.gz IMAACJQZQPJZPX-MRXNPFEDSA-N -1 3 358.507 4.156 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000539841784 1116389407 /nfs/dbraw/zinc/38/94/07/1116389407.db2.gz KLCUTPBIJZVPIL-IBGZPJMESA-N -1 3 363.461 4.209 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(CCc2ccccc2)Cc2cccnc2)c1 ZINC000539840144 1116389472 /nfs/dbraw/zinc/38/94/72/1116389472.db2.gz UCHMOFZDKGHTID-UHFFFAOYSA-N -1 3 360.457 4.235 20 0 FIADHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1 ZINC000540209788 1117944976 /nfs/dbraw/zinc/94/49/76/1117944976.db2.gz PXXHBBJMGXUAII-UHFFFAOYSA-N -1 3 373.396 4.379 20 0 FIADHM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000463059945 1117946891 /nfs/dbraw/zinc/94/68/91/1117946891.db2.gz GNKHCWQRXNEPKU-OPAMFIHVSA-N -1 3 360.457 4.218 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(SC)c2C)c(C)c1 ZINC000540293063 1117979196 /nfs/dbraw/zinc/97/91/96/1117979196.db2.gz RYGPSYXVZYUOLM-UHFFFAOYSA-N -1 3 351.493 4.143 20 0 FIADHM COc1ccc(SC)c(OC)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000540481413 1118080164 /nfs/dbraw/zinc/08/01/64/1118080164.db2.gz PGYARYZYTCGMGS-UHFFFAOYSA-N -1 3 353.827 4.037 20 0 FIADHM O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)c1cccc2n[n-]nc21 ZINC000540963082 1118325930 /nfs/dbraw/zinc/32/59/30/1118325930.db2.gz HLKGXBMJJCWCGI-INIZCTEOSA-N -1 3 368.849 4.192 20 0 FIADHM Cc1ccc(-n2ncc(C(=O)Nc3ncccc3[O-])c2C2CC2)cc1Cl ZINC000541238541 1118439228 /nfs/dbraw/zinc/43/92/28/1118439228.db2.gz WYFZCDQCZOAKEC-UHFFFAOYSA-N -1 3 368.824 4.064 20 0 FIADHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000464365931 1118537255 /nfs/dbraw/zinc/53/72/55/1118537255.db2.gz LYSLCTGPWGWUOL-ZETCQYMHSA-N -1 3 357.806 4.174 20 0 FIADHM Cc1ccc(-c2nc(C(=O)[N-]c3nc4cc(Cl)ccn4n3)cs2)cc1 ZINC000464638981 1118630534 /nfs/dbraw/zinc/63/05/34/1118630534.db2.gz RXBUODPNXRFPIV-UHFFFAOYSA-N -1 3 369.837 4.067 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4cnccc43)c2)n1 ZINC000465030805 1118796787 /nfs/dbraw/zinc/79/67/87/1118796787.db2.gz HXPMZFHROOMSHC-UHFFFAOYSA-N -1 3 370.412 4.212 20 0 FIADHM CCCc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1-c1cccc(F)c1 ZINC000542382842 1118915510 /nfs/dbraw/zinc/91/55/10/1118915510.db2.gz DZQNNCOVYILUIN-UHFFFAOYSA-N -1 3 357.360 4.061 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1nccnc1Sc1ccccc1 ZINC000542395512 1118918747 /nfs/dbraw/zinc/91/87/47/1118918747.db2.gz ZAKQEDPZCVBVDL-UHFFFAOYSA-N -1 3 357.822 4.239 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C/C(C)=C\c3ccccc3)nc2)n1 ZINC000491813620 1118985101 /nfs/dbraw/zinc/98/51/01/1118985101.db2.gz LZTHGOAFQUSOHQ-VBKFSLOCSA-N -1 3 360.461 4.346 20 0 FIADHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ccnc(Cl)c1F ZINC000152412723 1119271614 /nfs/dbraw/zinc/27/16/14/1119271614.db2.gz ZFEATWKFXOYVFX-UHFFFAOYSA-N -1 3 354.838 4.101 20 0 FIADHM COC(=O)c1cc([N-]C(=O)c2ccc(Oc3ccccc3)o2)c(F)cc1F ZINC000177577572 1119337543 /nfs/dbraw/zinc/33/75/43/1119337543.db2.gz YSARWBDRIZHTNS-UHFFFAOYSA-N -1 3 373.311 4.389 20 0 FIADHM CN(Cc1cccc2[nH]ccc21)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000494105076 1119542941 /nfs/dbraw/zinc/54/29/41/1119542941.db2.gz GXKOUVSBJCOTGL-UHFFFAOYSA-N -1 3 358.401 4.195 20 0 FIADHM FC(F)c1nnc([N-]Cc2csc(COc3ccc(Cl)cc3)n2)o1 ZINC000189300746 1119885396 /nfs/dbraw/zinc/88/53/96/1119885396.db2.gz RJJOEKFMUVOMRV-UHFFFAOYSA-N -1 3 372.784 4.308 20 0 FIADHM CC(=O)c1csc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000191839771 1119998456 /nfs/dbraw/zinc/99/84/56/1119998456.db2.gz FEKYKKABYMLZDQ-UHFFFAOYSA-N -1 3 369.427 4.468 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccccc1OC(F)F ZINC000195438037 1120159187 /nfs/dbraw/zinc/15/91/87/1120159187.db2.gz WBXGZFXDCHSURH-UHFFFAOYSA-N -1 3 368.188 4.396 20 0 FIADHM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1 ZINC000761908065 1120575837 /nfs/dbraw/zinc/57/58/37/1120575837.db2.gz NJIDJCUQAVMRKC-KHPPLWFESA-N -1 3 353.390 4.052 20 0 FIADHM O=C(NCC1(c2ccccc2)CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000053476774 1120619619 /nfs/dbraw/zinc/61/96/19/1120619619.db2.gz UUKQNRMXEHMRKA-UHFFFAOYSA-N -1 3 360.457 4.160 20 0 FIADHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914888938 1120626375 /nfs/dbraw/zinc/62/63/75/1120626375.db2.gz CAQSKHMMKYACQB-SNVBAGLBSA-N -1 3 362.838 4.375 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccccc1F ZINC000914892161 1120630381 /nfs/dbraw/zinc/63/03/81/1120630381.db2.gz SLFYUOZYPPFVGF-HNNXBMFYSA-N -1 3 360.410 4.189 20 0 FIADHM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)o1 ZINC000053482282 1120654978 /nfs/dbraw/zinc/65/49/78/1120654978.db2.gz PLYPNGRBLCSJPW-GUYCJALGSA-N -1 3 362.429 4.049 20 0 FIADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1C1CC1 ZINC000762476744 1120914548 /nfs/dbraw/zinc/91/45/48/1120914548.db2.gz QFAIWFGPJVLTGO-OEYXZAGESA-N -1 3 363.458 4.283 20 0 FIADHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1-c1ccccc1 ZINC000762507357 1120920441 /nfs/dbraw/zinc/92/04/41/1120920441.db2.gz BPUINSGIXXKSON-UHFFFAOYSA-N -1 3 361.445 4.346 20 0 FIADHM Cc1nc(SCCC[N-]C(=O)C(F)(F)F)n(C2CCCCC2)c1C ZINC000762771103 1120962606 /nfs/dbraw/zinc/96/26/06/1120962606.db2.gz DXRBAASQPHZACM-UHFFFAOYSA-N -1 3 363.449 4.166 20 0 FIADHM Cc1sc(Cl)nc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000762871846 1120989057 /nfs/dbraw/zinc/98/90/57/1120989057.db2.gz VLKATXUXNXNYKD-UHFFFAOYSA-N -1 3 364.883 4.493 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCSc3ccccc32)c1Br ZINC000315622465 1120992266 /nfs/dbraw/zinc/99/22/66/1120992266.db2.gz TUUPUWUSWWYCGN-ZDUSSCGKSA-N -1 3 350.281 4.481 20 0 FIADHM NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000026233290 1121082424 /nfs/dbraw/zinc/08/24/24/1121082424.db2.gz CCAHAVDYRASIND-UHFFFAOYSA-N -1 3 373.478 4.026 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2)cc1 ZINC000032631077 1121112613 /nfs/dbraw/zinc/11/26/13/1121112613.db2.gz YSZXNZCDXIFBDK-OAHLLOKOSA-N -1 3 363.479 4.026 20 0 FIADHM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc([O-])c2ccccc2c1 ZINC000472264407 1121203664 /nfs/dbraw/zinc/20/36/64/1121203664.db2.gz XUERCICFXGNWFU-KRWDZBQOSA-N -1 3 366.848 4.208 20 0 FIADHM Cc1nc(-c2ccc(C)c(NC(=O)c3cc([O-])c4ccccc4c3)c2)n[nH]1 ZINC000472266393 1121203843 /nfs/dbraw/zinc/20/38/43/1121203843.db2.gz SIFTVKCGOCYCMW-UHFFFAOYSA-N -1 3 358.401 4.200 20 0 FIADHM O=C(CCc1cccc(Br)c1)Nc1cc(Cl)ccc1[O-] ZINC000243866652 1121250150 /nfs/dbraw/zinc/25/01/50/1121250150.db2.gz RKLFLMMSXBBION-UHFFFAOYSA-N -1 3 354.631 4.379 20 0 FIADHM CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1ccc(F)cc1Cl ZINC000078760289 1121260861 /nfs/dbraw/zinc/26/08/61/1121260861.db2.gz ORUKILVBXUHABH-UHFFFAOYSA-N -1 3 365.861 4.234 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=S)N[C@@H]3CCCC[C@@H]3C)c2)n1 ZINC000916021853 1121380459 /nfs/dbraw/zinc/38/04/59/1121380459.db2.gz HNWPFODVPPQECX-SUMWQHHRSA-N -1 3 370.522 4.277 20 0 FIADHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(C)C ZINC000916108656 1121410393 /nfs/dbraw/zinc/41/03/93/1121410393.db2.gz JMFACIUUOFJJKW-UHFFFAOYSA-N -1 3 354.422 4.000 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000496774173 1121527428 /nfs/dbraw/zinc/52/74/28/1121527428.db2.gz WMFYQNZAULRVEO-AWEZNQCLSA-N -1 3 373.884 4.071 20 0 FIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1 ZINC000063176813 1121553246 /nfs/dbraw/zinc/55/32/46/1121553246.db2.gz MYLSSNKESPVESP-UHFFFAOYSA-N -1 3 363.479 4.379 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CCC2CCCCC2)c1 ZINC000123481694 1121597734 /nfs/dbraw/zinc/59/77/34/1121597734.db2.gz ORECFVHRGZCHNN-SFHVURJKSA-N -1 3 358.482 4.316 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000064374636 1121607274 /nfs/dbraw/zinc/60/72/74/1121607274.db2.gz WQBJSAOWXIDKPI-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000123497464 1121609940 /nfs/dbraw/zinc/60/99/40/1121609940.db2.gz AGBGLTYHJKAQGZ-UHFFFAOYSA-N -1 3 368.534 4.163 20 0 FIADHM Cc1cccc(C2(CNC(=O)c3cc(=O)c4ccccc4[n-]3)CCCCC2)c1 ZINC000065784966 1121706479 /nfs/dbraw/zinc/70/64/79/1121706479.db2.gz DMXXUONLRJAHMA-UHFFFAOYSA-N -1 3 374.484 4.468 20 0 FIADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1cnc2ccccc2n1 ZINC000065813172 1121708450 /nfs/dbraw/zinc/70/84/50/1121708450.db2.gz OKCMYRDWKPVAOU-UHFFFAOYSA-N -1 3 367.821 4.054 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000125695611 1121807083 /nfs/dbraw/zinc/80/70/83/1121807083.db2.gz HXQGDUMQUOILEC-ZDUSSCGKSA-N -1 3 359.495 4.128 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)s1 ZINC000065048846 1121868277 /nfs/dbraw/zinc/86/82/77/1121868277.db2.gz LNPPQPOZVCCIFP-UHFFFAOYSA-N -1 3 362.505 4.102 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4cc(C)ccc4s3)nc21 ZINC001127419660 1121868617 /nfs/dbraw/zinc/86/86/17/1121868617.db2.gz QNMUKOVXBDQHNJ-UHFFFAOYSA-N -1 3 365.414 4.125 20 0 FIADHM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1ccc(O)cc1[O-] ZINC000126502381 1121961301 /nfs/dbraw/zinc/96/13/01/1121961301.db2.gz RXZIHIFGZDIGOT-CYBMUJFWSA-N -1 3 368.458 4.363 20 0 FIADHM CCc1nc(NC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)sc1C ZINC000186270259 1121993866 /nfs/dbraw/zinc/99/38/66/1121993866.db2.gz PVAFGWBRFTVNMN-UHFFFAOYSA-N -1 3 359.373 4.286 20 0 FIADHM CN(Cc1ccc(Cl)c(F)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000127627677 1122128134 /nfs/dbraw/zinc/12/81/34/1122128134.db2.gz XLUUMFYWWPZPKM-UHFFFAOYSA-N -1 3 371.799 4.094 20 0 FIADHM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc([O-])c(Br)c1 ZINC000054682602 1122190503 /nfs/dbraw/zinc/19/05/03/1122190503.db2.gz AWJDAYRNKVFXFV-AWEZNQCLSA-N -1 3 367.630 4.004 20 0 FIADHM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000054701782 1122191969 /nfs/dbraw/zinc/19/19/69/1122191969.db2.gz DNDFLHKWOKZVDS-MRXNPFEDSA-N -1 3 367.232 4.294 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000128303539 1122231461 /nfs/dbraw/zinc/23/14/61/1122231461.db2.gz RAEJKVHPVFGGRX-UHFFFAOYSA-N -1 3 356.397 4.302 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc([C@@H](CC)c3ccccc3)s2)s1 ZINC000106719583 1122236627 /nfs/dbraw/zinc/23/66/27/1122236627.db2.gz VZUMXUUVEJBQIU-LBPRGKRZSA-N -1 3 358.492 4.351 20 0 FIADHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000055622177 1122257951 /nfs/dbraw/zinc/25/79/51/1122257951.db2.gz RTZBRVWWYZOZRW-UHFFFAOYSA-N -1 3 372.899 4.168 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(-c2ccc(Cl)s2)on1 ZINC000497571952 1122292021 /nfs/dbraw/zinc/29/20/21/1122292021.db2.gz VFVWDUZJUARAAU-UHFFFAOYSA-N -1 3 370.821 4.121 20 0 FIADHM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc([O-])c1F ZINC000128485875 1122314110 /nfs/dbraw/zinc/31/41/10/1122314110.db2.gz NVVWCOYRSHWULN-UHFFFAOYSA-N -1 3 373.815 4.299 20 0 FIADHM COc1cc(C(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)cc(OC)c1[O-] ZINC000497723558 1122376971 /nfs/dbraw/zinc/37/69/71/1122376971.db2.gz MSRBEMSMPDLLDG-GOSISDBHSA-N -1 3 369.461 4.340 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000129279732 1122563439 /nfs/dbraw/zinc/56/34/39/1122563439.db2.gz PCGRFWJBIKQMFR-UHFFFAOYSA-N -1 3 353.324 4.154 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1NC(=O)NC(C)(C)C ZINC000129363390 1122575760 /nfs/dbraw/zinc/57/57/60/1122575760.db2.gz YWKMEGSDWMAEOT-UHFFFAOYSA-N -1 3 359.401 4.012 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3c(F)c(F)c(F)c(F)c3F)n[n-]2)o1 ZINC000919327445 1122952610 /nfs/dbraw/zinc/95/26/10/1122952610.db2.gz ZLDNAXGGBGUQDH-UHFFFAOYSA-N -1 3 372.249 4.031 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3c(F)c(F)c(F)c(F)c3F)[n-]n2)o1 ZINC000919327445 1122952614 /nfs/dbraw/zinc/95/26/14/1122952614.db2.gz ZLDNAXGGBGUQDH-UHFFFAOYSA-N -1 3 372.249 4.031 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3cc(-c4cccs4)on3)n[n-]2)o1 ZINC000919329761 1122953320 /nfs/dbraw/zinc/95/33/20/1122953320.db2.gz UFDBKHGDGCHYLB-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3cc(-c4cccs4)on3)[n-]n2)o1 ZINC000919329761 1122953322 /nfs/dbraw/zinc/95/33/22/1122953322.db2.gz UFDBKHGDGCHYLB-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM O=C(Nc1cc(CCc2ccccc2)ccn1)c1cc([O-])ccc1Cl ZINC000556546517 1122954935 /nfs/dbraw/zinc/95/49/35/1122954935.db2.gz CYVDFRCJTVKOSY-UHFFFAOYSA-N -1 3 352.821 4.478 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000556638714 1123011797 /nfs/dbraw/zinc/01/17/97/1123011797.db2.gz LGCUFIKEPHNSPL-UHFFFAOYSA-N -1 3 359.853 4.236 20 0 FIADHM CCOc1cc(/C=C\C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1[O-] ZINC000213313725 1123021007 /nfs/dbraw/zinc/02/10/07/1123021007.db2.gz DCACKXBFRHDRLN-XQRVVYSFSA-N -1 3 350.773 4.488 20 0 FIADHM COc1ccc2cc([C@H](C)C(=O)Nc3cccc(C(C)=O)c3[O-])ccc2c1 ZINC000556892105 1123179513 /nfs/dbraw/zinc/17/95/13/1123179513.db2.gz OAZVXASRWUEYMH-ZDUSSCGKSA-N -1 3 363.413 4.499 20 0 FIADHM CCOC[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000073128644 1123198793 /nfs/dbraw/zinc/19/87/93/1123198793.db2.gz RJSVZVYCXYPDTK-FQEVSTJZSA-N -1 3 367.489 4.066 20 0 FIADHM CCCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cccc(C)c1 ZINC000132241089 1123234150 /nfs/dbraw/zinc/23/41/50/1123234150.db2.gz OEPCXXTYAWKQLX-CQSZACIVSA-N -1 3 369.494 4.321 20 0 FIADHM O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc([O-])ccc1Cl ZINC000499116091 1123255734 /nfs/dbraw/zinc/25/57/34/1123255734.db2.gz LXQQXHZAJJCGQC-CYBMUJFWSA-N -1 3 365.685 4.357 20 0 FIADHM Cc1sc2[n-]c(-c3cccc(F)n3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000155141190 1123286491 /nfs/dbraw/zinc/28/64/91/1123286491.db2.gz MAWAMBJPRUFLBT-UHFFFAOYSA-N -1 3 355.369 4.300 20 0 FIADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1scnc1Cl ZINC000920081441 1123336031 /nfs/dbraw/zinc/33/60/31/1123336031.db2.gz VLPLRFBYVYZIBS-UHFFFAOYSA-N -1 3 372.899 4.486 20 0 FIADHM O=C([N-]Cc1nc2cc(Cl)ccc2s1)C(F)(F)c1ccccc1 ZINC000920469346 1123466035 /nfs/dbraw/zinc/46/60/35/1123466035.db2.gz HBUFXJKWSYCEIL-UHFFFAOYSA-N -1 3 352.793 4.358 20 0 FIADHM O=C(CCC(=O)c1csc2ccccc12)NCc1ccc([O-])c(F)c1 ZINC000133642064 1123508009 /nfs/dbraw/zinc/50/80/09/1123508009.db2.gz FGPMGKPZULTZND-UHFFFAOYSA-N -1 3 357.406 4.025 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccccc1C(F)(F)F ZINC000076195264 1123580479 /nfs/dbraw/zinc/58/04/79/1123580479.db2.gz YNKZECJARFUWFD-UHFFFAOYSA-N -1 3 353.724 4.299 20 0 FIADHM Cc1cc(C[S@@](=O)c2ccc([O-])cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000133995012 1123581779 /nfs/dbraw/zinc/58/17/79/1123581779.db2.gz UQBHBALYAKTZLP-DEOSSOPVSA-N -1 3 358.850 4.119 20 0 FIADHM O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134196443 1123603928 /nfs/dbraw/zinc/60/39/28/1123603928.db2.gz QZUJJWBOVPZREZ-UHFFFAOYSA-N -1 3 362.307 4.247 20 0 FIADHM O=C(CCC(=O)c1ccc(F)cc1F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134206529 1123605157 /nfs/dbraw/zinc/60/51/57/1123605157.db2.gz AMWPIRXWBABKRE-UHFFFAOYSA-N -1 3 373.277 4.291 20 0 FIADHM CC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccs1 ZINC000137184622 1123964784 /nfs/dbraw/zinc/96/47/84/1123964784.db2.gz UCZBRQBYDLUOCB-LBPRGKRZSA-N -1 3 369.284 4.167 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000615293499 1123981125 /nfs/dbraw/zinc/98/11/25/1123981125.db2.gz UTCONGAONBXVQJ-MRVPVSSYSA-N -1 3 366.216 4.311 20 0 FIADHM CN(CCC1CCOCC1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000137715196 1123981829 /nfs/dbraw/zinc/98/18/29/1123981829.db2.gz KORBSDVITDUFLI-UHFFFAOYSA-N -1 3 355.434 4.073 20 0 FIADHM CC[C@@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1cc(F)ccc1F ZINC000179787719 1124076278 /nfs/dbraw/zinc/07/62/78/1124076278.db2.gz IJJIBGHXEFLNSI-QGZVFWFLSA-N -1 3 359.372 4.326 20 0 FIADHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(Oc2ccccc2)cn1 ZINC001128100585 1124146740 /nfs/dbraw/zinc/14/67/40/1124146740.db2.gz GEYHAOINDLVLMJ-UHFFFAOYSA-N -1 3 361.304 4.024 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000616285192 1124278302 /nfs/dbraw/zinc/27/83/02/1124278302.db2.gz PAKAGOJFYHNPJN-IBGZPJMESA-N -1 3 369.486 4.108 20 0 FIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1c(Cl)cccc1Cl ZINC000180286578 1124283638 /nfs/dbraw/zinc/28/36/38/1124283638.db2.gz DXDAYNRAWKODMD-UHFFFAOYSA-N -1 3 372.060 4.496 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000616329311 1124288219 /nfs/dbraw/zinc/28/82/19/1124288219.db2.gz WBZUFCIXXHJPEG-ICSRJNTNSA-N -1 3 366.461 4.149 20 0 FIADHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000303761410 1124475556 /nfs/dbraw/zinc/47/55/56/1124475556.db2.gz FFHJVBGTXCNSTJ-SECBINFHSA-N -1 3 364.319 4.273 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c1Cl ZINC000615202795 1124726517 /nfs/dbraw/zinc/72/65/17/1124726517.db2.gz XXSFAKQEGFIXQN-UHFFFAOYSA-N -1 3 370.710 4.495 20 0 FIADHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2c3nsnc3ccc2Cl)s1 ZINC000181262471 1124800729 /nfs/dbraw/zinc/80/07/29/1124800729.db2.gz SADXWSVVQRZFFZ-SSDOTTSWSA-N -1 3 368.871 4.069 20 0 FIADHM CCCOCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](c1ccccc1)CC3 ZINC000063579429 1124933314 /nfs/dbraw/zinc/93/33/14/1124933314.db2.gz AVWHHQDRJCXAGO-AWEZNQCLSA-N -1 3 354.475 4.184 20 0 FIADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)C1 ZINC001212449832 1125066324 /nfs/dbraw/zinc/06/63/24/1125066324.db2.gz CESXLHFTNFHMPV-GDNZZTSVSA-N -1 3 350.311 4.344 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)c([O-])c1 ZINC000618114438 1125076278 /nfs/dbraw/zinc/07/62/78/1125076278.db2.gz GKYGLDZVXYBSMP-LJQANCHMSA-N -1 3 355.434 4.103 20 0 FIADHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000465985669 1125189515 /nfs/dbraw/zinc/18/95/15/1125189515.db2.gz VFYVKYYABDJLGS-GUYCJALGSA-N -1 3 360.429 4.370 20 0 FIADHM COc1cccc([C@@]2(C)CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000618745135 1125261347 /nfs/dbraw/zinc/26/13/47/1125261347.db2.gz JWWIMSQBDBWXOK-QFIPXVFZSA-N -1 3 371.452 4.053 20 0 FIADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000499621159 1125316392 /nfs/dbraw/zinc/31/63/92/1125316392.db2.gz HBJCRWNCLWVGFM-CHWSQXEVSA-N -1 3 350.459 4.318 20 0 FIADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000499621162 1125316601 /nfs/dbraw/zinc/31/66/01/1125316601.db2.gz HBJCRWNCLWVGFM-STQMWFEESA-N -1 3 350.459 4.318 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)n([C@H](C)C3CC3)n2)c(F)c1F ZINC000461103273 567958158 /nfs/dbraw/zinc/95/81/58/567958158.db2.gz NBDNLPHNLQWVOH-SECBINFHSA-N -1 3 365.355 4.035 20 0 FIADHM COC(=O)c1c(Cl)ccc([N-]C(=O)c2coc(C3CCC3)n2)c1Cl ZINC000602384649 567973974 /nfs/dbraw/zinc/97/39/74/567973974.db2.gz PCOBPWKYTFHVMA-UHFFFAOYSA-N -1 3 369.204 4.288 20 0 FIADHM COC(=O)c1scc(C)c1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000186877717 567998966 /nfs/dbraw/zinc/99/89/66/567998966.db2.gz LJGRZQRSHOYMKD-UHFFFAOYSA-N -1 3 364.473 4.280 20 0 FIADHM CC(=O)Nc1sc(NC(=O)c2ccc(C)cc2[O-])nc1-c1ccccc1 ZINC000187015265 568050769 /nfs/dbraw/zinc/05/07/69/568050769.db2.gz ADPHKSSIOPDNDQ-UHFFFAOYSA-N -1 3 367.430 4.035 20 0 FIADHM Cc1noc(C)c1[C@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000603736832 568152852 /nfs/dbraw/zinc/15/28/52/568152852.db2.gz NDFVKRGOQVDOAG-AWEZNQCLSA-N -1 3 364.445 4.273 20 0 FIADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]2CCCC[C@@H]12 ZINC000604052929 568206842 /nfs/dbraw/zinc/20/68/42/568206842.db2.gz YIVPCVVDUPOOPJ-YCPHGPKFSA-N -1 3 351.450 4.482 20 0 FIADHM CC(C)(C)CC(=O)NCC(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000604266529 568238560 /nfs/dbraw/zinc/23/85/60/568238560.db2.gz KEYQJGZJPUGFEB-UHFFFAOYSA-N -1 3 371.481 4.130 20 0 FIADHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC000604406938 568268326 /nfs/dbraw/zinc/26/83/26/568268326.db2.gz DDVAXLMHIBCNFA-HNNXBMFYSA-N -1 3 373.305 4.372 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](c4ccccc4)C[C@@H]3C)nc2)n1 ZINC000604381239 568286769 /nfs/dbraw/zinc/28/67/69/568286769.db2.gz ZGYRLUMKIVWMHD-MAUKXSAKSA-N -1 3 360.461 4.189 20 0 FIADHM Cc1c(C(=O)Nc2cc(Cl)cc(C)c2[O-])[nH]c2c1C(=O)CC(C)(C)C2 ZINC000604902016 568385074 /nfs/dbraw/zinc/38/50/74/568385074.db2.gz UNUGSNSNUQFFCV-UHFFFAOYSA-N -1 3 360.841 4.398 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1[O-] ZINC000604902198 568385131 /nfs/dbraw/zinc/38/51/31/568385131.db2.gz VGXYUXUUEAYJRA-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM CC[C@@H](C)c1ccc(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000604932526 568395113 /nfs/dbraw/zinc/39/51/13/568395113.db2.gz PQZPQBLKNKGUFC-CYBMUJFWSA-N -1 3 367.478 4.111 20 0 FIADHM CCCOc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000163085695 1125546091 /nfs/dbraw/zinc/54/60/91/1125546091.db2.gz NAIPELDFJIZTMI-UHFFFAOYSA-N -1 3 354.381 4.017 20 0 FIADHM CC(C)C(=O)Nc1cc2ccccc2cc1C([O-])=C(C#N)c1ccccn1 ZINC000182711824 1125602435 /nfs/dbraw/zinc/60/24/35/1125602435.db2.gz ZVESEZYRYHGUTO-SFHVURJKSA-N -1 3 357.413 4.319 20 0 FIADHM CCCN(C[C@@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000579720358 1079575428 /nfs/dbraw/zinc/57/54/28/1079575428.db2.gz OAJNBNOZQPPBJW-XJKSGUPXSA-N -1 3 360.281 4.400 20 0 FIADHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)c2ccccc21 ZINC001625783300 1079676928 /nfs/dbraw/zinc/67/69/28/1079676928.db2.gz QEWUHZZHGPWGFG-SNVBAGLBSA-N -1 3 368.799 4.395 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1cccc(Br)c1 ZINC000683174787 1079814535 /nfs/dbraw/zinc/81/45/35/1079814535.db2.gz QRHMLZOXWXHLCP-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM Cc1ccc2nc([N-]C(=O)c3cc(-c4ccc(F)cc4)no3)sc2n1 ZINC001626347242 1079855240 /nfs/dbraw/zinc/85/52/40/1079855240.db2.gz NBIVSNVFFUXXBE-UHFFFAOYSA-N -1 3 354.366 4.046 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(Cl)c(Br)c1)c1cccs1 ZINC000137106605 1080201007 /nfs/dbraw/zinc/20/10/07/1080201007.db2.gz NBDGYAPYKLFETJ-GFCCVEGCSA-N -1 3 374.687 4.470 20 0 FIADHM CSc1ccccc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000006465781 1080249817 /nfs/dbraw/zinc/24/98/17/1080249817.db2.gz RFPCONOINMCWKW-JTQLQIEISA-N -1 3 374.487 4.241 20 0 FIADHM C[C@H]1CCN(C)c2ccccc2N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000471221804 1080381008 /nfs/dbraw/zinc/38/10/08/1080381008.db2.gz XVOMWVIYSVMZHH-AWEZNQCLSA-N -1 3 374.444 4.317 20 0 FIADHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1NC(=O)OC(C)(C)C ZINC000076824188 1080444003 /nfs/dbraw/zinc/44/40/03/1080444003.db2.gz QBCPLICKLVLMMM-OAHLLOKOSA-N -1 3 351.406 4.227 20 0 FIADHM O=S(=O)([N-]c1cncc(Cl)c1Cl)c1ccc2ccccc2c1 ZINC000180286656 1080475789 /nfs/dbraw/zinc/47/57/89/1080475789.db2.gz VYJPGZGYBIMFGJ-UHFFFAOYSA-N -1 3 353.230 4.342 20 0 FIADHM CC(C)(C)CCCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001209455737 1080719748 /nfs/dbraw/zinc/71/97/48/1080719748.db2.gz JHAYYCLJHMYDEH-UHFFFAOYSA-N -1 3 366.296 4.083 20 0 FIADHM [O-]c1ccc(F)c(CNCc2ccc(Oc3cccnc3)c(F)c2)c1F ZINC000510175867 1080729453 /nfs/dbraw/zinc/72/94/53/1080729453.db2.gz MRJKMRCHACYUDS-UHFFFAOYSA-N -1 3 360.335 4.287 20 0 FIADHM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000067139168 1080740599 /nfs/dbraw/zinc/74/05/99/1080740599.db2.gz OSRWRSLRGREVDT-SNVBAGLBSA-N -1 3 364.854 4.123 20 0 FIADHM CC(C)c1scnc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000579889759 1080794973 /nfs/dbraw/zinc/79/49/73/1080794973.db2.gz LCYSDVMFMIMXPJ-UHFFFAOYSA-N -1 3 361.398 4.225 20 0 FIADHM CC(C)c1ccc(-c2noc(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)n2)cc1 ZINC000652500341 1080835818 /nfs/dbraw/zinc/83/58/18/1080835818.db2.gz MRVOHPKFGYERED-KRWDZBQOSA-N -1 3 371.481 4.183 20 0 FIADHM Cc1c([O-])ccc2c(CNc3cccc(COC(C)C)c3)cc(=O)oc12 ZINC000141435966 1080860077 /nfs/dbraw/zinc/86/00/77/1080860077.db2.gz OPNXZMWRNWBQJQ-UHFFFAOYSA-N -1 3 353.418 4.344 20 0 FIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC001648801174 1080937381 /nfs/dbraw/zinc/93/73/81/1080937381.db2.gz PODKQGNDXQHTMY-MJGOQNOKSA-N -1 3 359.853 4.429 20 0 FIADHM O=c1[n-]nc(SCc2ccc(-c3cccs3)cc2)n1C[C@@H]1CCCO1 ZINC000683435548 1080963665 /nfs/dbraw/zinc/96/36/65/1080963665.db2.gz JVVVEWMQEBBQMG-HNNXBMFYSA-N -1 3 373.503 4.184 20 0 FIADHM COC(=O)c1c(Br)cccc1Nc1cccc(Cl)c1[O-] ZINC001210220811 1081194756 /nfs/dbraw/zinc/19/47/56/1081194756.db2.gz ZGXFFUADMUNTCR-UHFFFAOYSA-N -1 3 356.603 4.338 20 0 FIADHM CCC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1 ZINC000471437458 1081251757 /nfs/dbraw/zinc/25/17/57/1081251757.db2.gz SQFDKSJBQFULBG-UHFFFAOYSA-N -1 3 355.781 4.235 20 0 FIADHM O=C(Nc1cc(-c2cccs2)on1)c1cc([O-])cc(Br)c1 ZINC001648900268 1081359277 /nfs/dbraw/zinc/35/92/77/1081359277.db2.gz PXQSGHWXUXDOCJ-UHFFFAOYSA-N -1 3 365.208 4.124 20 0 FIADHM CN(C[C@]12CCC[C@H]1OCC2)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001648903403 1081359687 /nfs/dbraw/zinc/35/96/87/1081359687.db2.gz KSSAXIAIOAEXLQ-FYYLOGMGSA-N -1 3 365.473 4.014 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1[O-] ZINC000115256075 1081541726 /nfs/dbraw/zinc/54/17/26/1081541726.db2.gz WOEVZIMOCCECPR-SANMLTNESA-N -1 3 365.454 4.261 20 0 FIADHM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)c2ccccc21 ZINC000045528866 1081584261 /nfs/dbraw/zinc/58/42/61/1081584261.db2.gz BFMPNDBXFHBHSY-KGENOOAVSA-N -1 3 355.393 4.076 20 0 FIADHM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2C1 ZINC000045946943 1081608385 /nfs/dbraw/zinc/60/83/85/1081608385.db2.gz GNZSRICNJWKGHT-SECBINFHSA-N -1 3 372.416 4.288 20 0 FIADHM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2C1 ZINC000045946943 1081608387 /nfs/dbraw/zinc/60/83/87/1081608387.db2.gz GNZSRICNJWKGHT-SECBINFHSA-N -1 3 372.416 4.288 20 0 FIADHM CCc1c([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cnn1CC(C)C ZINC000160410876 1081726680 /nfs/dbraw/zinc/72/66/80/1081726680.db2.gz KRNZOTLWKRGHQQ-MDZDMXLPSA-N -1 3 367.902 4.168 20 0 FIADHM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC([O-])=NO[C@H]1CCCCO1 ZINC000160435823 1081762379 /nfs/dbraw/zinc/76/23/79/1081762379.db2.gz BPTBJOVQQKHEQX-INIZCTEOSA-N -1 3 372.469 4.058 20 0 FIADHM CC1(c2nsc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])n2)CC1 ZINC001167372356 1081788337 /nfs/dbraw/zinc/78/83/37/1081788337.db2.gz JAZOPANVFHLPNI-UHFFFAOYSA-N -1 3 365.458 4.138 20 0 FIADHM Cc1cc(CN2CCC(CCc3ccc(F)cc3F)CC2)oc1C(=O)[O-] ZINC000656191252 1081896341 /nfs/dbraw/zinc/89/63/41/1081896341.db2.gz HNCVHRXKIVSVSE-UHFFFAOYSA-N -1 3 363.404 4.409 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(c3nc4ccccc4s3)CC2)s1 ZINC000580574668 1082021702 /nfs/dbraw/zinc/02/17/02/1082021702.db2.gz GLWVZNPNRGSHCR-UHFFFAOYSA-N -1 3 358.488 4.436 20 0 FIADHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(C(C)(C)C)s3)s2)o1 ZINC000055977145 1082031199 /nfs/dbraw/zinc/03/11/99/1082031199.db2.gz GBNGTIREIQQBTD-UHFFFAOYSA-N -1 3 362.480 4.421 20 0 FIADHM [O-]c1c(F)cc(Br)cc1Nc1cnccc1Br ZINC001211235104 1082040903 /nfs/dbraw/zinc/04/09/03/1082040903.db2.gz HFGMFGPRHVGSTP-UHFFFAOYSA-N -1 3 361.996 4.195 20 0 FIADHM Cc1sc(CC(=O)Nc2ccc(Br)cc2[O-])nc1C(C)C ZINC000684042697 1082116226 /nfs/dbraw/zinc/11/62/26/1082116226.db2.gz SRTAURANGXZPKW-UHFFFAOYSA-N -1 3 369.284 4.224 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000581198973 1082368028 /nfs/dbraw/zinc/36/80/28/1082368028.db2.gz CABRSTPOUUJIBV-MRXNPFEDSA-N -1 3 357.841 4.080 20 0 FIADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1c(Cl)cccc1OC(F)F ZINC000656568829 1082589084 /nfs/dbraw/zinc/58/90/84/1082589084.db2.gz PNZGEEMLUYJRKC-YGRLFVJLSA-N -1 3 361.816 4.311 20 0 FIADHM Cc1cc(OCCN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)ccc1C(C)C ZINC000656759210 1082752428 /nfs/dbraw/zinc/75/24/28/1082752428.db2.gz XVSYCHXJDOAMGN-CABCVRRESA-N -1 3 373.415 4.082 20 0 FIADHM O=C([O-])[C@@H]1CCN(CCOc2c(Cl)cccc2Cl)[C@@H]2CCCC[C@@H]12 ZINC000656763766 1082756505 /nfs/dbraw/zinc/75/65/05/1082756505.db2.gz HRFOSSAOMXQETB-WOSRLPQWSA-N -1 3 372.292 4.338 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccsc3)n2)[C@@H]2CCCC[C@H]12 ZINC000656765192 1082757407 /nfs/dbraw/zinc/75/74/07/1082757407.db2.gz MKTMRKVTRUIYQL-BZUAXINKSA-N -1 3 362.520 4.337 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)[C@@H]2CCCC[C@H]12 ZINC000656765842 1082759834 /nfs/dbraw/zinc/75/98/34/1082759834.db2.gz PJKHCTAAISTBPO-KZNAEPCWSA-N -1 3 374.481 4.415 20 0 FIADHM Cc1oc(-c2cccs2)nc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656769173 1082760684 /nfs/dbraw/zinc/76/06/84/1082760684.db2.gz YREXQTKQWXOCET-YCPHGPKFSA-N -1 3 360.479 4.177 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H]3CCC[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000328811761 1082838394 /nfs/dbraw/zinc/83/83/94/1082838394.db2.gz ORDSMLNUJKHSLY-DYVFJYSZSA-N -1 3 354.454 4.200 20 0 FIADHM C/C=C\c1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000581747308 1082863086 /nfs/dbraw/zinc/86/30/86/1082863086.db2.gz BVTGAIWUOOQSRJ-IHWYPQMZSA-N -1 3 372.421 4.456 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581833165 1082917191 /nfs/dbraw/zinc/91/71/91/1082917191.db2.gz FEYYDTJXGNNZCY-UHFFFAOYSA-N -1 3 363.870 4.466 20 0 FIADHM Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cc([O-])cc(F)c2)cn1 ZINC000430772187 1083164134 /nfs/dbraw/zinc/16/41/34/1083164134.db2.gz KLDKGIVUNWKRNF-UHFFFAOYSA-N -1 3 359.832 4.121 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1c[nH]c2cccc(F)c21 ZINC000471936481 1083355386 /nfs/dbraw/zinc/35/53/86/1083355386.db2.gz ZBXZYHWMIAXKHH-UHFFFAOYSA-N -1 3 359.209 4.415 20 0 FIADHM CC(C)c1nc(C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)no1 ZINC000293993845 1083365117 /nfs/dbraw/zinc/36/51/17/1083365117.db2.gz LWHIJSSOIOUUMB-UHFFFAOYSA-N -1 3 365.433 4.072 20 0 FIADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000548866765 1083396384 /nfs/dbraw/zinc/39/63/84/1083396384.db2.gz UIUNKXARBXOWSS-UHFFFAOYSA-N -1 3 360.262 4.420 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3cccc4cc[nH]c43)cc2)cc(=O)[n-]1 ZINC000548479081 1083438747 /nfs/dbraw/zinc/43/87/47/1083438747.db2.gz JTFVEHYJDYNBBX-UHFFFAOYSA-N -1 3 359.389 4.283 20 0 FIADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCCCCCC(=O)[O-] ZINC000276955594 1083454775 /nfs/dbraw/zinc/45/47/75/1083454775.db2.gz FIQHURGFJWGHLO-UHFFFAOYSA-N -1 3 363.889 4.186 20 0 FIADHM COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c([O-])c1 ZINC000023548753 1083473538 /nfs/dbraw/zinc/47/35/38/1083473538.db2.gz YAHUVDCIYAAQCI-ZDUSSCGKSA-N -1 3 368.458 4.030 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000685711850 1083484839 /nfs/dbraw/zinc/48/48/39/1083484839.db2.gz HVTAQBIDCHTXBE-UHFFFAOYSA-N -1 3 351.780 4.344 20 0 FIADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc([O-])c1F ZINC000192196055 1083500391 /nfs/dbraw/zinc/50/03/91/1083500391.db2.gz RMMXNXBXFCBFES-UHFFFAOYSA-N -1 3 374.593 4.208 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 ZINC000024030925 1083750563 /nfs/dbraw/zinc/75/05/63/1083750563.db2.gz FWINLJHKMGDIOR-UHFFFAOYSA-N -1 3 352.415 4.267 20 0 FIADHM CC1(C)CC[C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)c2ccccc21 ZINC000535831883 1083784813 /nfs/dbraw/zinc/78/48/13/1083784813.db2.gz BZVZNQOORSJZGX-HNNXBMFYSA-N -1 3 360.457 4.113 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(c2ccccc2)c2ccccc2)c1 ZINC000535853822 1083809332 /nfs/dbraw/zinc/80/93/32/1083809332.db2.gz DXTFOENMHMGFSL-UHFFFAOYSA-N -1 3 374.440 4.044 20 0 FIADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCC[C@@H](C)CC(=O)[O-] ZINC000277166221 1083893063 /nfs/dbraw/zinc/89/30/63/1083893063.db2.gz DMOJLHCTPZZERH-CYBMUJFWSA-N -1 3 363.889 4.041 20 0 FIADHM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482776 1083899541 /nfs/dbraw/zinc/89/95/41/1083899541.db2.gz RXGPEHHBVFIKSW-KHPPLWFESA-N -1 3 373.865 4.247 20 0 FIADHM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ncccc1[O-] ZINC000471994265 1083948631 /nfs/dbraw/zinc/94/86/31/1083948631.db2.gz ZXFVQAYCDYBBMT-QGZVFWFLSA-N -1 3 371.481 4.163 20 0 FIADHM Cc1ccccc1C[C@H](CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000277265131 1084101531 /nfs/dbraw/zinc/10/15/31/1084101531.db2.gz KYJYXKCEWAAELQ-MRXNPFEDSA-N -1 3 372.515 4.213 20 0 FIADHM CC(C)[C@@H](CNCc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC000277278729 1084129815 /nfs/dbraw/zinc/12/98/15/1084129815.db2.gz LXFGHKFQZWLJRN-GFCCVEGCSA-N -1 3 370.927 4.394 20 0 FIADHM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000472051083 1084187157 /nfs/dbraw/zinc/18/71/57/1084187157.db2.gz DKABJWLGBXZOHJ-GOSISDBHSA-N -1 3 364.445 4.054 20 0 FIADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000071956633 1084394755 /nfs/dbraw/zinc/39/47/55/1084394755.db2.gz XSOCXYNXKXMXIJ-GXFFZTMASA-N -1 3 364.239 4.442 20 0 FIADHM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000431761789 1084437839 /nfs/dbraw/zinc/43/78/39/1084437839.db2.gz WEDFUIFSKHRSGA-SNVBAGLBSA-N -1 3 373.758 4.262 20 0 FIADHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc([O-])ccc1Cl ZINC000431773588 1084501186 /nfs/dbraw/zinc/50/11/86/1084501186.db2.gz WCAYROQENJDFAH-MRXNPFEDSA-N -1 3 367.779 4.454 20 0 FIADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000582067996 1084561035 /nfs/dbraw/zinc/56/10/35/1084561035.db2.gz SEEJHNPYAIAFIN-JTQLQIEISA-N -1 3 374.384 4.141 20 0 FIADHM Cc1nn(-c2ccccc2)c(Cl)c1CNCCCCCCCC(=O)[O-] ZINC000277498061 1084717480 /nfs/dbraw/zinc/71/74/80/1084717480.db2.gz XKYAKKMNOPZHRV-UHFFFAOYSA-N -1 3 363.889 4.349 20 0 FIADHM CCc1oc(C(=O)[O-])cc1CN(C)CCCOc1cccc(Cl)c1 ZINC000563277432 1084747314 /nfs/dbraw/zinc/74/73/14/1084747314.db2.gz IDBLVTALYSAOKS-UHFFFAOYSA-N -1 3 351.830 4.095 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000332693802 1084786103 /nfs/dbraw/zinc/78/61/03/1084786103.db2.gz FQMPSAWRNPTWTB-PBFPGSCMSA-N -1 3 354.454 4.104 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](CC(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000582283883 1084828997 /nfs/dbraw/zinc/82/89/97/1084828997.db2.gz OAKUQLVPIZKWLD-OAHLLOKOSA-N -1 3 368.481 4.448 20 0 FIADHM CC(=Cc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000255891611 1084866748 /nfs/dbraw/zinc/86/67/48/1084866748.db2.gz PDNYIFFSSZAHCO-QBFSEMIESA-N -1 3 363.392 4.339 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000134247518 1085007140 /nfs/dbraw/zinc/00/71/40/1085007140.db2.gz WAEMZFCBVSFJMI-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM O=C([N-][C@@H](c1ccccc1)c1cccnc1)C(F)(F)c1ccc(F)cc1 ZINC000728493195 1085051253 /nfs/dbraw/zinc/05/12/53/1085051253.db2.gz YYFNEYMFFMOQLT-SFHVURJKSA-N -1 3 356.347 4.218 20 0 FIADHM Cc1ncsc1C(=O)[N-]c1nnc([C@H]2CCCc3ccccc32)s1 ZINC000277651819 1085075092 /nfs/dbraw/zinc/07/50/92/1085075092.db2.gz SPSLHVSJHJMFDL-ZDUSSCGKSA-N -1 3 356.476 4.024 20 0 FIADHM Cc1nc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)oc1-c1ccc(Cl)cc1 ZINC000660749495 1085250239 /nfs/dbraw/zinc/25/02/39/1085250239.db2.gz WSOBETCTNSFMNU-UHFFFAOYSA-N -1 3 372.856 4.132 20 0 FIADHM O=c1nc(CN2CCC[C@H]2C2CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000662729678 1085447014 /nfs/dbraw/zinc/44/70/14/1085447014.db2.gz ODPHQZGGSDSTPO-INIZCTEOSA-N -1 3 369.465 4.165 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(c4ccccc4)CCC3)c2)n1 ZINC000049304671 1085519818 /nfs/dbraw/zinc/51/98/18/1085519818.db2.gz GIJZXTNDHMGFBZ-UHFFFAOYSA-N -1 3 373.456 4.060 20 0 FIADHM CCN(CC)[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccsc1 ZINC000184260111 1085870552 /nfs/dbraw/zinc/87/05/52/1085870552.db2.gz YLGVUQBDBCSZSS-HNNXBMFYSA-N -1 3 370.877 4.059 20 0 FIADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000431505664 1085909010 /nfs/dbraw/zinc/90/90/10/1085909010.db2.gz DGBUVPNHOXCLMC-INIZCTEOSA-N -1 3 361.825 4.040 20 0 FIADHM Cc1ccc(C)c(OC2CCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000652400682 1085998232 /nfs/dbraw/zinc/99/82/32/1085998232.db2.gz LCULXKQPUGWANG-HXUWFJFHSA-N -1 3 357.425 4.112 20 0 FIADHM CCCCO[C@@H]1C[C@H](N(C)Cc2c(Cl)cccc2C(=O)[O-])C1(C)C ZINC000652439446 1086058049 /nfs/dbraw/zinc/05/80/49/1086058049.db2.gz LZAUJZACMKVNTL-DLBZAZTESA-N -1 3 353.890 4.454 20 0 FIADHM COc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)c(OC)c1 ZINC000431520382 1086092998 /nfs/dbraw/zinc/09/29/98/1086092998.db2.gz OSDPICQELASFDS-KRWDZBQOSA-N -1 3 361.825 4.040 20 0 FIADHM CC(C)c1ccc(-c2nc(CN3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cs2)cc1 ZINC000652515045 1086144226 /nfs/dbraw/zinc/14/42/26/1086144226.db2.gz MKSGVHWLEVHAIA-RBUKOAKNSA-N -1 3 370.518 4.476 20 0 FIADHM CC(C)c1cccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c1 ZINC000663260220 1086341414 /nfs/dbraw/zinc/34/14/14/1086341414.db2.gz PXCCOBWGOZGZKY-OAQYLSRUSA-N -1 3 363.461 4.301 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1C(F)(F)F ZINC000583176531 1086349439 /nfs/dbraw/zinc/34/94/39/1086349439.db2.gz ROEBOCLGYXNUDR-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1 ZINC000467746645 1086583896 /nfs/dbraw/zinc/58/38/96/1086583896.db2.gz PDDXCZPNUDYOHU-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM Cc1nc(-c2ccccc2)oc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000525641578 1086666186 /nfs/dbraw/zinc/66/61/86/1086666186.db2.gz IFWMIISREODTAM-UHFFFAOYSA-N -1 3 372.428 4.331 20 0 FIADHM C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(C)(C)c1ccccc1 ZINC001143528640 1086679375 /nfs/dbraw/zinc/67/93/75/1086679375.db2.gz RXNKHEDMHJITJL-CYBMUJFWSA-N -1 3 368.864 4.278 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)c(C)c1 ZINC000543950910 1086739441 /nfs/dbraw/zinc/73/94/41/1086739441.db2.gz IBEVDDFRZOQKFY-UHFFFAOYSA-N -1 3 367.442 4.041 20 0 FIADHM COc1cccc(-c2cc(C(=O)[N-]c3nc4ccsc4s3)on2)c1 ZINC001126315612 1086778257 /nfs/dbraw/zinc/77/82/57/1086778257.db2.gz ATXBKTIYEGPMBI-UHFFFAOYSA-N -1 3 357.416 4.274 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1[O-] ZINC000583556844 1086793514 /nfs/dbraw/zinc/79/35/14/1086793514.db2.gz DXDMRSVRNHGEDH-UHFFFAOYSA-N -1 3 359.381 4.078 20 0 FIADHM CCOc1ncc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc1Cl ZINC000536139993 1086980267 /nfs/dbraw/zinc/98/02/67/1086980267.db2.gz JEJCGEKIMDSDAJ-UHFFFAOYSA-N -1 3 372.730 4.006 20 0 FIADHM O=C(N[C@@H]1CCCC12CCOCC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622583123 1087014947 /nfs/dbraw/zinc/01/49/47/1087014947.db2.gz KYEITMBJPNDBHV-OAQYLSRUSA-N -1 3 365.473 4.062 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000092125251 1087438551 /nfs/dbraw/zinc/43/85/51/1087438551.db2.gz BVROBBINXFFPEK-UHFFFAOYSA-N -1 3 363.335 4.046 20 0 FIADHM Cc1csc(N(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000094126571 1087464820 /nfs/dbraw/zinc/46/48/20/1087464820.db2.gz FATPHNLLHZAIRY-UHFFFAOYSA-N -1 3 352.459 4.219 20 0 FIADHM CCCc1nc(CSc2nnc([N-]c3ccccc3F)s2)no1 ZINC000142028868 1087484999 /nfs/dbraw/zinc/48/49/99/1087484999.db2.gz RSVZRCWKQSEKND-UHFFFAOYSA-N -1 3 351.432 4.049 20 0 FIADHM CCc1nnc([N-]C(=O)c2sc(-c3ccc(Cl)s3)nc2C)s1 ZINC000146300118 1087498037 /nfs/dbraw/zinc/49/80/37/1087498037.db2.gz DOBOWZIICUYXHW-UHFFFAOYSA-N -1 3 370.912 4.500 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c(C)c1C ZINC000134684817 1087502066 /nfs/dbraw/zinc/50/20/66/1087502066.db2.gz MDBWLWXSQNDKIW-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM O=C(CC[C@@H]1CCCCO1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000600985563 1087522313 /nfs/dbraw/zinc/52/23/13/1087522313.db2.gz ZGHFAKOWXJWCNP-AWEZNQCLSA-N -1 3 368.264 4.093 20 0 FIADHM O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc([O-])ccc1Cl ZINC000685615050 1087642956 /nfs/dbraw/zinc/64/29/56/1087642956.db2.gz GJKZAPVQMTVHFM-UHFFFAOYSA-N -1 3 354.793 4.163 20 0 FIADHM CCOc1ccccc1-c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000685681033 1087681486 /nfs/dbraw/zinc/68/14/86/1087681486.db2.gz QXTFFVYBGKXLPY-UHFFFAOYSA-N -1 3 361.760 4.180 20 0 FIADHM CC(C)c1nc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)cs1 ZINC000504590953 1087741941 /nfs/dbraw/zinc/74/19/41/1087741941.db2.gz FEHZARWTBJKDOY-UHFFFAOYSA-N -1 3 350.513 4.493 20 0 FIADHM CCCOc1c(Cl)cc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1OCC ZINC000424420474 1087973087 /nfs/dbraw/zinc/97/30/87/1087973087.db2.gz QPQKZDANCMHXIC-DYVFJYSZSA-N -1 3 369.889 4.213 20 0 FIADHM O=S(=O)([N-]C1(c2ccccc2F)CC1)c1cccc(Cl)c1Cl ZINC000605589072 1088129664 /nfs/dbraw/zinc/12/96/64/1088129664.db2.gz OIZDUXPKCJADOF-UHFFFAOYSA-N -1 3 360.237 4.100 20 0 FIADHM O=C(Cc1cc2c(ccc3ccccc23)o1)Nc1n[n-]c(-c2ccco2)n1 ZINC000511510784 1088165804 /nfs/dbraw/zinc/16/58/04/1088165804.db2.gz FMYSYDJTVJYODW-UHFFFAOYSA-N -1 3 358.357 4.145 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(N3CCCC3)cc2)no1)c1ccccc1Cl ZINC001211646823 1088739905 /nfs/dbraw/zinc/73/99/05/1088739905.db2.gz AUEDMUDBMFUWFB-UHFFFAOYSA-N -1 3 367.836 4.416 20 0 FIADHM [O-]C(=Cc1nc(-c2cccc(OC(F)F)c2)no1)c1ccccc1Cl ZINC001211647365 1088765262 /nfs/dbraw/zinc/76/52/62/1088765262.db2.gz MBMVTYVPDVZZOM-UHFFFAOYSA-N -1 3 364.735 4.417 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2nc(C3CCCCC3)cs2)C[C@H]1c1ccccc1 ZINC000659796949 1088874840 /nfs/dbraw/zinc/87/48/40/1088874840.db2.gz PZROBGQQAVMMAD-ZWKOTPCHSA-N -1 3 370.518 4.491 20 0 FIADHM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C[C@@H]1CCc2ccccc21 ZINC000659803148 1088891415 /nfs/dbraw/zinc/89/14/15/1088891415.db2.gz DQJUQJYPAHXARS-SFHVURJKSA-N -1 3 362.429 4.202 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)C3CCC(F)CC3)cc2)cc(=O)[n-]1 ZINC000664430680 1088894191 /nfs/dbraw/zinc/89/41/91/1088894191.db2.gz TUFYYURSTXJKLQ-XEBKBJJBSA-N -1 3 372.444 4.196 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659805549 1088895763 /nfs/dbraw/zinc/89/57/63/1088895763.db2.gz URDKWEAJDAZTMA-NXHRZFHOSA-N -1 3 370.276 4.012 20 0 FIADHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OC1CCCC1 ZINC000414638240 1088914616 /nfs/dbraw/zinc/91/46/16/1088914616.db2.gz NQQULHMJSAQSST-UHFFFAOYSA-N -1 3 355.434 4.005 20 0 FIADHM Cc1ccc([O-])c(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)n1 ZINC000430101282 1088991259 /nfs/dbraw/zinc/99/12/59/1088991259.db2.gz WROFFNYESXFHCB-SCLBCKFNSA-N -1 3 366.383 4.076 20 0 FIADHM Cc1ccc(Cc2ccccn2)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000549165320 1089085252 /nfs/dbraw/zinc/08/52/52/1089085252.db2.gz KLVLAWUPHRGYDD-UHFFFAOYSA-N -1 3 369.424 4.075 20 0 FIADHM COc1cc(Cl)c(C)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468566675 1089172708 /nfs/dbraw/zinc/17/27/08/1089172708.db2.gz SVBHSMGEEBZSBV-UHFFFAOYSA-N -1 3 351.805 4.463 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c1cccc2Br ZINC000712131528 1089349429 /nfs/dbraw/zinc/34/94/29/1089349429.db2.gz VAEZMJCFNWABHF-UHFFFAOYSA-N -1 3 352.615 4.011 20 0 FIADHM O=C(Nc1ccccc1C(=O)Nc1cc(F)ccc1[O-])c1cccs1 ZINC000178328872 1089544069 /nfs/dbraw/zinc/54/40/69/1089544069.db2.gz NFONHKAUEHPXBA-UHFFFAOYSA-N -1 3 356.378 4.097 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2csc(N(C(C)=O)C3CC3)n2)CC)n1 ZINC000435340753 1089545875 /nfs/dbraw/zinc/54/58/75/1089545875.db2.gz MSFHPOHSRQYRES-LCYFTJDESA-N -1 3 372.494 4.057 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCC4(CC4(F)F)CC3)nc2)n1 ZINC000664493210 1089744518 /nfs/dbraw/zinc/74/45/18/1089744518.db2.gz BYYVQTQOSQQFEJ-UHFFFAOYSA-N -1 3 360.408 4.187 20 0 FIADHM O=C(CCOc1cccc(Cl)c1)Nc1ccc(Br)cc1[O-] ZINC000515078316 1089757536 /nfs/dbraw/zinc/75/75/36/1089757536.db2.gz PIQCUVXTQFMUMZ-UHFFFAOYSA-N -1 3 370.630 4.216 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]3c3c(F)cccc3F)nc2)n1 ZINC000435568749 1089759548 /nfs/dbraw/zinc/75/95/48/1089759548.db2.gz PQGSPPYQUMZSPH-CZUORRHYSA-N -1 3 368.387 4.053 20 0 FIADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000435592660 1089783006 /nfs/dbraw/zinc/78/30/06/1089783006.db2.gz MQUVLZLJAUMMKS-MQMHXKEQSA-N -1 3 373.371 4.069 20 0 FIADHM CC(C)COc1ccccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468624533 1089884816 /nfs/dbraw/zinc/88/48/16/1089884816.db2.gz BDNUUQGEVASWHD-UHFFFAOYSA-N -1 3 359.441 4.205 20 0 FIADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000515261606 1089925411 /nfs/dbraw/zinc/92/54/11/1089925411.db2.gz DTVMQIBUZPPXMG-UHFFFAOYSA-N -1 3 355.456 4.056 20 0 FIADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cn(C(C)(C)C)nn1 ZINC000188029496 1090144479 /nfs/dbraw/zinc/14/44/79/1090144479.db2.gz NOZQXOOANFKUCC-UHFFFAOYSA-N -1 3 352.891 4.439 20 0 FIADHM CC(C)c1cccc(-c2ccc(C(=O)NN=c3ccc(Cl)n[n-]3)o2)c1 ZINC000180562867 1090216815 /nfs/dbraw/zinc/21/68/15/1090216815.db2.gz QSZBQPOYZCJDQU-UHFFFAOYSA-N -1 3 356.813 4.270 20 0 FIADHM C[C@H](c1ccc(F)cc1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000027558258 1090365637 /nfs/dbraw/zinc/36/56/37/1090365637.db2.gz TYDQZBOKVJJZKT-GFCCVEGCSA-N -1 3 351.381 4.001 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000378499973 1090392151 /nfs/dbraw/zinc/39/21/51/1090392151.db2.gz WVLWPLKGBXWPEW-HNNXBMFYSA-N -1 3 364.420 4.077 20 0 FIADHM COc1ccc2occ(C(=O)Nc3ccc(Br)cc3[O-])c2c1 ZINC000584568610 1090405319 /nfs/dbraw/zinc/40/53/19/1090405319.db2.gz BADKBYZQBQANIZ-UHFFFAOYSA-N -1 3 362.179 4.162 20 0 FIADHM CC(C)(C)OC(=O)c1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000417541098 1090918404 /nfs/dbraw/zinc/91/84/04/1090918404.db2.gz XVLHHKUMZPBTJG-MRXNPFEDSA-N -1 3 361.463 4.009 20 0 FIADHM CC(C)(C)c1cnc(CNC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000417547804 1090919664 /nfs/dbraw/zinc/91/96/64/1090919664.db2.gz PCOCNZGKOZVMTK-ZDUSSCGKSA-N -1 3 366.914 4.127 20 0 FIADHM CC(C)c1cnc(CN[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])s1 ZINC000417557273 1090925109 /nfs/dbraw/zinc/92/51/09/1090925109.db2.gz BAHWPIMQGNVJCM-CYBMUJFWSA-N -1 3 373.305 4.359 20 0 FIADHM COc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc(Cl)c1OC ZINC000417592648 1090934418 /nfs/dbraw/zinc/93/44/18/1090934418.db2.gz FLCSCQYWOPFFMF-MRXNPFEDSA-N -1 3 363.841 4.053 20 0 FIADHM Cc1ccccc1[C@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000584844998 1090940210 /nfs/dbraw/zinc/94/02/10/1090940210.db2.gz NFCAIYQKKQDZPB-SFHVURJKSA-N -1 3 362.429 4.338 20 0 FIADHM CC(C)=CCSC[C@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417629138 1090944913 /nfs/dbraw/zinc/94/49/13/1090944913.db2.gz RRYXVEMDVQLYRR-JTQLQIEISA-N -1 3 354.324 4.297 20 0 FIADHM CCCCOc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000417618508 1090940904 /nfs/dbraw/zinc/94/09/04/1090940904.db2.gz JSNBGGMBWWUNBO-RTBURBONSA-N -1 3 369.461 4.277 20 0 FIADHM O=C([O-])[C@@H]1C[C@H](NCc2cc(F)cc(C(F)(F)F)c2)c2ccccc21 ZINC000417619453 1090940932 /nfs/dbraw/zinc/94/09/32/1090940932.db2.gz KOZSEHZZKZFMPM-CVEARBPZSA-N -1 3 353.315 4.247 20 0 FIADHM O=C([O-])[C@H]1C[C@H](NCc2ccccc2OCC(F)(F)F)c2ccccc21 ZINC000417621262 1090942212 /nfs/dbraw/zinc/94/22/12/1090942212.db2.gz HDESWMIKKOBURY-HOTGVXAUSA-N -1 3 365.351 4.031 20 0 FIADHM O=C([O-])C[C@H](CNCc1ccc(-c2ccccc2Cl)o1)C(F)(F)F ZINC000417631845 1090945679 /nfs/dbraw/zinc/94/56/79/1090945679.db2.gz SDWBPVJLVVIGEX-SNVBAGLBSA-N -1 3 361.747 4.343 20 0 FIADHM CCCCOc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OC ZINC000417630310 1090945712 /nfs/dbraw/zinc/94/57/12/1090945712.db2.gz XYJUKBJZYJGVHQ-RBUKOAKNSA-N -1 3 369.461 4.277 20 0 FIADHM O=C([O-])[C@H]1C=C[C@H](NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000417626512 1090947953 /nfs/dbraw/zinc/94/79/53/1090947953.db2.gz SYOHGGUEEXBWRU-JSGCOSHPSA-N -1 3 351.324 4.084 20 0 FIADHM CCCCOc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)ccc1OC ZINC000417670984 1090958439 /nfs/dbraw/zinc/95/84/39/1090958439.db2.gz PICMVEAKMLRXHA-UHFFFAOYSA-N -1 3 357.450 4.171 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@@H]3CCCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000417668165 1090958453 /nfs/dbraw/zinc/95/84/53/1090958453.db2.gz JREWNKYXDWZWAE-CRAIPNDOSA-N -1 3 374.506 4.154 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000500313036 1091263538 /nfs/dbraw/zinc/26/35/38/1091263538.db2.gz GDMYMTRTTIXOFS-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1C[C@H]1CCCOC1 ZINC000626227932 1091705289 /nfs/dbraw/zinc/70/52/89/1091705289.db2.gz QUHIKDFRFFAVCL-CQSZACIVSA-N -1 3 362.857 4.143 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000051208212 1091981158 /nfs/dbraw/zinc/98/11/58/1091981158.db2.gz ISWVCJWIAXIHLF-UHFFFAOYSA-N -1 3 351.446 4.251 20 0 FIADHM COc1c(Br)cc(F)cc1[N-]c1nc(C(C)(C)C)ns1 ZINC001211707826 1091984749 /nfs/dbraw/zinc/98/47/49/1091984749.db2.gz CIXPSBKVOXNWQV-UHFFFAOYSA-N -1 3 360.252 4.489 20 0 FIADHM C[C@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc(C(F)(F)F)cc1 ZINC000512273550 1091995928 /nfs/dbraw/zinc/99/59/28/1091995928.db2.gz CNZRXZNVBZNVNL-GFCCVEGCSA-N -1 3 374.366 4.045 20 0 FIADHM Cc1cccc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)n1 ZINC000436920348 1092014873 /nfs/dbraw/zinc/01/48/73/1092014873.db2.gz RCNIQRMOECYBAH-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM CC[C@H](CN(CC)C(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000187419793 1092080409 /nfs/dbraw/zinc/08/04/09/1092080409.db2.gz WBHHEMIQRPMPFD-OAHLLOKOSA-N -1 3 357.450 4.065 20 0 FIADHM O=c1ccnc(C(=Cc2nccn2Cc2ccccc2)Cc2ccccc2)[n-]1 ZINC000432704725 1092160399 /nfs/dbraw/zinc/16/03/99/1092160399.db2.gz HENGHOIRAZLLFJ-SILNSSARSA-N -1 3 368.440 4.210 20 0 FIADHM Cc1ccc(-c2nc(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)cs2)o1 ZINC000512363314 1092162459 /nfs/dbraw/zinc/16/24/59/1092162459.db2.gz QXEFDHWOZXBNJG-UHFFFAOYSA-N -1 3 364.430 4.084 20 0 FIADHM O=c1ccnc(C(=Cc2nc(-c3ccccc3)c[nH]2)Cc2ccccc2)[n-]1 ZINC000432709349 1092169072 /nfs/dbraw/zinc/16/90/72/1092169072.db2.gz KDMJGYPZVFDWBD-NBVRZTHBSA-N -1 3 354.413 4.356 20 0 FIADHM Cc1cccc(OCCCNC(=O)CCCc2ccc([O-])c(F)c2)c1C ZINC000428193476 1092236140 /nfs/dbraw/zinc/23/61/40/1092236140.db2.gz QFOOMVQTHGNMKI-UHFFFAOYSA-N -1 3 359.441 4.056 20 0 FIADHM CC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nccs1 ZINC000151494084 1092280617 /nfs/dbraw/zinc/28/06/17/1092280617.db2.gz CJLFLBGDMMDUOR-ZDUSSCGKSA-N -1 3 365.307 4.054 20 0 FIADHM CCCO[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000521633815 1092808412 /nfs/dbraw/zinc/80/84/12/1092808412.db2.gz KTRXNSHCRYMBES-XJKSGUPXSA-N -1 3 360.281 4.400 20 0 FIADHM CSc1ccc([O-])c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c1 ZINC000614208959 1093171668 /nfs/dbraw/zinc/17/16/68/1093171668.db2.gz LORLRURFRVLWBS-UHFFFAOYSA-N -1 3 361.307 4.071 20 0 FIADHM CCOc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OCC(C)C ZINC000665342006 1093200088 /nfs/dbraw/zinc/20/00/88/1093200088.db2.gz MXKJGUJRLOGIIN-UHFFFAOYSA-N -1 3 363.498 4.197 20 0 FIADHM CC[C@H](C)CN(C)c1ccc(F)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000665343154 1093209659 /nfs/dbraw/zinc/20/96/59/1093209659.db2.gz ZTFHVZNLAMZGGR-INIZCTEOSA-N -1 3 364.505 4.385 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N(Cc1ccncc1)C1CC1 ZINC000094037090 1093279541 /nfs/dbraw/zinc/27/95/41/1093279541.db2.gz KODXBMRYEWJIHH-UHFFFAOYSA-N -1 3 358.441 4.183 20 0 FIADHM COc1cc([C@H](C)NCc2nc(=O)c3sccc3[n-]2)ccc1OC(C)C ZINC000411442546 1093311329 /nfs/dbraw/zinc/31/13/29/1093311329.db2.gz AANYRSBNKLIQAJ-LBPRGKRZSA-N -1 3 373.478 4.044 20 0 FIADHM C[C@@H](C[N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(F)cc1F ZINC001126548124 1093339265 /nfs/dbraw/zinc/33/92/65/1093339265.db2.gz ZJBIFGLLJPHNJV-VIFPVBQESA-N -1 3 361.285 4.255 20 0 FIADHM CCCN(C(=O)c1cc([O-])ccc1Cl)[C@H](C)CC(=O)Nc1ccccc1 ZINC000512858595 1093458473 /nfs/dbraw/zinc/45/84/73/1093458473.db2.gz XPCIFYJUDNWMGH-CQSZACIVSA-N -1 3 374.868 4.315 20 0 FIADHM Cc1cc(C)c2c(c1)N(C(=O)c1c[n-]c3c(C)cc(F)cc3c1=O)CCC2 ZINC000433358186 1093620865 /nfs/dbraw/zinc/62/08/65/1093620865.db2.gz YWZOGXZKOQKNPB-UHFFFAOYSA-N -1 3 364.420 4.185 20 0 FIADHM CC(=O)Nc1ccc(Cl)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469040056 1093649790 /nfs/dbraw/zinc/64/97/90/1093649790.db2.gz SZQDUZJRDNEZJJ-UHFFFAOYSA-N -1 3 364.804 4.105 20 0 FIADHM CCCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@H](CC)c1ccccc1 ZINC000114645522 1093659919 /nfs/dbraw/zinc/65/99/19/1093659919.db2.gz CNSIZEFCNKESFE-HXUWFJFHSA-N -1 3 369.509 4.099 20 0 FIADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000474316169 1093678901 /nfs/dbraw/zinc/67/89/01/1093678901.db2.gz SZGSCZNTPQKMPP-UHFFFAOYSA-N -1 3 365.760 4.348 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cccc(C(F)(F)F)c1F ZINC000429962786 1093684740 /nfs/dbraw/zinc/68/47/40/1093684740.db2.gz COYQCZIYQCBFFQ-UHFFFAOYSA-N -1 3 357.288 4.208 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H]3CCc4ccccc43)cc2)cc(=O)[n-]1 ZINC000509891928 1093696234 /nfs/dbraw/zinc/69/62/34/1093696234.db2.gz ZGGLGUBMGVXCPD-HXUWFJFHSA-N -1 3 374.444 4.309 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCC(C)C)cc1 ZINC000614346390 1093699868 /nfs/dbraw/zinc/69/98/68/1093699868.db2.gz JQFGWOOKVRBNHP-UHFFFAOYSA-N -1 3 374.506 4.479 20 0 FIADHM COc1ccc(-c2nc(CSCc3cc(=O)[n-]c(C4CC4)n3)co2)cc1 ZINC000419377811 1093828525 /nfs/dbraw/zinc/82/85/25/1093828525.db2.gz QSVLAZWURLQLOT-UHFFFAOYSA-N -1 3 369.446 4.157 20 0 FIADHM O=C(CCCc1ccccc1)[N-]OCc1csc(-c2cccs2)n1 ZINC000729264013 1093953571 /nfs/dbraw/zinc/95/35/71/1093953571.db2.gz QYSMGSFGYZIPEH-UHFFFAOYSA-N -1 3 358.488 4.442 20 0 FIADHM Cc1ccc(-c2noc([C@H](C)NCc3c(F)ccc([O-])c3F)n2)cc1F ZINC000513168084 1093978132 /nfs/dbraw/zinc/97/81/32/1093978132.db2.gz RLSAUDMXKJQFMI-JTQLQIEISA-N -1 3 363.339 4.019 20 0 FIADHM C[C@@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1C(F)(F)F ZINC000647801064 1093987804 /nfs/dbraw/zinc/98/78/04/1093987804.db2.gz HOLHHVNQMUMPMZ-JTQLQIEISA-N -1 3 363.339 4.420 20 0 FIADHM CCCC[C@H](CC)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509911576 1094024312 /nfs/dbraw/zinc/02/43/12/1094024312.db2.gz NAIAGRGTMOSNGA-HNNXBMFYSA-N -1 3 356.470 4.496 20 0 FIADHM Cc1ccc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c(C)c1 ZINC000509917045 1094026851 /nfs/dbraw/zinc/02/68/51/1094026851.db2.gz CWZMCHJASUGQHZ-UHFFFAOYSA-N -1 3 362.433 4.096 20 0 FIADHM CCCC[C@H](NCc1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000262714207 1094144884 /nfs/dbraw/zinc/14/48/84/1094144884.db2.gz RALYBNAUTSQGJS-HNNXBMFYSA-N -1 3 368.886 4.109 20 0 FIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000026253417 1094158185 /nfs/dbraw/zinc/15/81/85/1094158185.db2.gz JPDNBPPSXYUNNU-UHFFFAOYSA-N -1 3 366.274 4.007 20 0 FIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000026253417 1094158188 /nfs/dbraw/zinc/15/81/88/1094158188.db2.gz JPDNBPPSXYUNNU-UHFFFAOYSA-N -1 3 366.274 4.007 20 0 FIADHM O=C(CC(F)(F)F)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000513554654 1094210719 /nfs/dbraw/zinc/21/07/19/1094210719.db2.gz RRJKCKWSFLCWPE-UHFFFAOYSA-N -1 3 360.282 4.173 20 0 FIADHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000280376983 1094332445 /nfs/dbraw/zinc/33/24/45/1094332445.db2.gz YYGRUSHVLZLGKL-UHFFFAOYSA-N -1 3 365.437 4.253 20 0 FIADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1S(=O)(=O)C1CCCC1 ZINC000419769983 1094595777 /nfs/dbraw/zinc/59/57/77/1094595777.db2.gz FFFBLZYQFQPXJZ-UHFFFAOYSA-N -1 3 363.454 4.168 20 0 FIADHM C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc2c(c1)CCCC2 ZINC000102694370 1094653167 /nfs/dbraw/zinc/65/31/67/1094653167.db2.gz MWCJACHXMRCQFZ-CQSZACIVSA-N -1 3 373.456 4.399 20 0 FIADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000474872124 1094806895 /nfs/dbraw/zinc/80/68/95/1094806895.db2.gz IMXZWKFJNYBWRN-ZIAGYGMSSA-N -1 3 368.864 4.446 20 0 FIADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cccc(F)c1F ZINC000522484476 1094990575 /nfs/dbraw/zinc/99/05/75/1094990575.db2.gz PGGRJDUGTYDOCJ-UHFFFAOYSA-N -1 3 363.414 4.361 20 0 FIADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cc(C)c1Br ZINC000191925608 1094997697 /nfs/dbraw/zinc/99/76/97/1094997697.db2.gz ATPCAHTUNUAVEB-UHFFFAOYSA-N -1 3 371.234 4.160 20 0 FIADHM O=C(c1c[n-]c2cc(F)c(F)cc2c1=O)N1CCC[C@H]1CCC1CCCC1 ZINC000896810385 1094998377 /nfs/dbraw/zinc/99/83/77/1094998377.db2.gz USOIXQKPKFZGQI-AWEZNQCLSA-N -1 3 374.431 4.381 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c(C)c1 ZINC000522669719 1095244526 /nfs/dbraw/zinc/24/45/26/1095244526.db2.gz DZUCPAVFPKAOIK-UHFFFAOYSA-N -1 3 363.479 4.210 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccc(F)cc1F ZINC000444068678 1095662222 /nfs/dbraw/zinc/66/22/22/1095662222.db2.gz DURCKYCNXQQUME-AWEZNQCLSA-N -1 3 357.447 4.116 20 0 FIADHM Cc1cccc2c1[C@@H](Oc1cccc([O-])c1I)CC2 ZINC001227376714 1095694252 /nfs/dbraw/zinc/69/42/52/1095694252.db2.gz XGJSOONFGQVABD-ZDUSSCGKSA-N -1 3 366.198 4.372 20 0 FIADHM COc1ccc([C@@H](C)Oc2cccc([O-])c2I)cc1 ZINC001227379149 1095741153 /nfs/dbraw/zinc/74/11/53/1095741153.db2.gz CIZYRXFRVDKRPC-SNVBAGLBSA-N -1 3 370.186 4.145 20 0 FIADHM Cn1ncc2c1ncnc2[N-]c1nc(-c2ccc3ccccc3c2)cs1 ZINC000502743316 1095777736 /nfs/dbraw/zinc/77/77/36/1095777736.db2.gz CZQYQAVJCLZSQE-UHFFFAOYSA-N -1 3 358.430 4.384 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(C)c1C ZINC000522956921 1095919409 /nfs/dbraw/zinc/91/94/09/1095919409.db2.gz OHTNPCMWLPSRGW-UHFFFAOYSA-N -1 3 373.478 4.043 20 0 FIADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000502909542 1095937310 /nfs/dbraw/zinc/93/73/10/1095937310.db2.gz GYVIGHZDGAZCGS-HOTGVXAUSA-N -1 3 374.506 4.417 20 0 FIADHM Cc1cc2occ(CC(=O)N=c3cc(-c4ccncc4)[n-][nH]3)c2cc1C(C)C ZINC000503032939 1096029293 /nfs/dbraw/zinc/02/92/93/1096029293.db2.gz MLECBKSXLMQUHJ-UHFFFAOYSA-N -1 3 374.444 4.253 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC ZINC000058704947 1096071456 /nfs/dbraw/zinc/07/14/56/1096071456.db2.gz DSYFKPLVHDRGGV-UHFFFAOYSA-N -1 3 363.479 4.210 20 0 FIADHM Cc1ccc(C[C@@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469186229 1096166529 /nfs/dbraw/zinc/16/65/29/1096166529.db2.gz UVHRQVHFFFRTDN-IBGZPJMESA-N -1 3 355.453 4.396 20 0 FIADHM CCc1ccc(-c2ccc(CN3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)o2)cc1 ZINC000414645657 1096319606 /nfs/dbraw/zinc/31/96/06/1096319606.db2.gz AEGVOAKZHCKMKL-HZPDHXFCSA-N -1 3 367.367 4.204 20 0 FIADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cc(F)cc4n[n-]nc43)ccc2o1 ZINC000503351655 1096364644 /nfs/dbraw/zinc/36/46/44/1096364644.db2.gz YLZDVEGNEQQDOZ-UHFFFAOYSA-N -1 3 367.384 4.079 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCC(F)(F)c1ccc(Cl)cc1 ZINC000557680545 1098587237 /nfs/dbraw/zinc/58/72/37/1098587237.db2.gz GTCQZJOSXNAKAK-UHFFFAOYSA-N -1 3 371.786 4.416 20 0 FIADHM CCCOc1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000532900515 1098591863 /nfs/dbraw/zinc/59/18/63/1098591863.db2.gz JVVLMKRNWWDCQJ-UHFFFAOYSA-N -1 3 364.239 4.125 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)ccc1F ZINC000436006931 1098628529 /nfs/dbraw/zinc/62/85/29/1098628529.db2.gz ONMATQLKYUQPGL-UHFFFAOYSA-N -1 3 359.426 4.079 20 0 FIADHM O=S(=O)([N-]Cc1csc2ccccc12)c1ccc(Cl)cc1F ZINC000515527174 1098663631 /nfs/dbraw/zinc/66/36/31/1098663631.db2.gz ZFWYRPVZWAQNOE-UHFFFAOYSA-N -1 3 355.843 4.172 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1Cl ZINC000515621516 1098770141 /nfs/dbraw/zinc/77/01/41/1098770141.db2.gz NNZIBNJXUZDBAX-UHFFFAOYSA-N -1 3 369.870 4.245 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1Cl ZINC000515696989 1098860282 /nfs/dbraw/zinc/86/02/82/1098860282.db2.gz IKYJTCMOPOGBKC-UHFFFAOYSA-N -1 3 369.870 4.247 20 0 FIADHM CC(C)CCOC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000533250890 1098912256 /nfs/dbraw/zinc/91/22/56/1098912256.db2.gz BDLLESLRODGTPZ-UHFFFAOYSA-N -1 3 369.465 4.109 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c([O-])c1 ZINC000436482935 1099043258 /nfs/dbraw/zinc/04/32/58/1099043258.db2.gz BYWRJERZSHKADG-OAHLLOKOSA-N -1 3 350.418 4.248 20 0 FIADHM CCCN(C(=O)c1ccc(CC)cc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436496879 1099057970 /nfs/dbraw/zinc/05/79/70/1099057970.db2.gz QQRLCOMTEZEHPV-MRXNPFEDSA-N -1 3 368.477 4.224 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c([O-])c1 ZINC000436511818 1099072467 /nfs/dbraw/zinc/07/24/67/1099072467.db2.gz LOXBXUUKIYDEOB-UHFFFAOYSA-N -1 3 357.303 4.423 20 0 FIADHM O=C(Nc1ccc(-c2nnco2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436528806 1099084069 /nfs/dbraw/zinc/08/40/69/1099084069.db2.gz POKXHZCTKIIHFN-UHFFFAOYSA-N -1 3 371.396 4.285 20 0 FIADHM COc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c([O-])c1 ZINC000436538972 1099103023 /nfs/dbraw/zinc/10/30/23/1099103023.db2.gz MLXSIHKCLHNYBH-UHFFFAOYSA-N -1 3 357.425 4.167 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(OCc3cscn3)c2)c([O-])c1C ZINC000436542807 1099106949 /nfs/dbraw/zinc/10/69/49/1099106949.db2.gz IQINGMSKTVAOPO-UHFFFAOYSA-N -1 3 354.431 4.297 20 0 FIADHM CCc1nnc(-c2cccc(NC(=O)c3cc4c(cc3[O-])CCCC4)c2)o1 ZINC000436575821 1099112434 /nfs/dbraw/zinc/11/24/34/1099112434.db2.gz PFKKFMXUUNQBLS-UHFFFAOYSA-N -1 3 363.417 4.136 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(C(F)F)CC1 ZINC000436598207 1099128549 /nfs/dbraw/zinc/12/85/49/1099128549.db2.gz SQCLXQDYWMZJFW-UHFFFAOYSA-N -1 3 359.416 4.295 20 0 FIADHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000436580163 1099130211 /nfs/dbraw/zinc/13/02/11/1099130211.db2.gz AJYIYBVBBBWFMW-ZDUSSCGKSA-N -1 3 362.495 4.342 20 0 FIADHM CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000436580161 1099130766 /nfs/dbraw/zinc/13/07/66/1099130766.db2.gz AJYIYBVBBBWFMW-CYBMUJFWSA-N -1 3 362.495 4.342 20 0 FIADHM COc1cccc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436585105 1099133958 /nfs/dbraw/zinc/13/39/58/1099133958.db2.gz RHJWQUBRGNEYKO-UHFFFAOYSA-N -1 3 361.441 4.264 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c([O-])c1 ZINC000436590561 1099136736 /nfs/dbraw/zinc/13/67/36/1099136736.db2.gz SZCFOTJBABWIFA-UHFFFAOYSA-N -1 3 370.792 4.452 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCSC1 ZINC000436602564 1099139252 /nfs/dbraw/zinc/13/92/52/1099139252.db2.gz KMZKPOIVXVTROO-LLVKDONJSA-N -1 3 356.472 4.361 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c([O-])c1 ZINC000436604102 1099140589 /nfs/dbraw/zinc/14/05/89/1099140589.db2.gz IWCANTNNGXWOKC-QGZVFWFLSA-N -1 3 363.461 4.170 20 0 FIADHM CC(C)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000436610241 1099144505 /nfs/dbraw/zinc/14/45/05/1099144505.db2.gz SVRLUEXQYGEJGT-QHAWAJNXSA-N -1 3 365.473 4.160 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(COc3ccccc3)CC2)cc1Cl ZINC000516075689 1099153469 /nfs/dbraw/zinc/15/34/69/1099153469.db2.gz DCLMCERXTJWEKA-UHFFFAOYSA-N -1 3 359.853 4.329 20 0 FIADHM C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000516084459 1099164083 /nfs/dbraw/zinc/16/40/83/1099164083.db2.gz CKYMGVIXRUCFLO-LBPRGKRZSA-N -1 3 374.868 4.100 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(CNc3ccccc3)cc2)cc1[O-] ZINC000436652868 1099173673 /nfs/dbraw/zinc/17/36/73/1099173673.db2.gz AYFFZODWKAZGEC-UHFFFAOYSA-N -1 3 360.413 4.459 20 0 FIADHM COc1ccccc1Oc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000436674530 1099205081 /nfs/dbraw/zinc/20/50/81/1099205081.db2.gz PKOAULHSFFGFFV-UHFFFAOYSA-N -1 3 351.358 4.151 20 0 FIADHM COc1cccc(-c2nc(-c3cccc(Br)c3C)no2)c1[O-] ZINC000436685484 1099219289 /nfs/dbraw/zinc/21/92/89/1099219289.db2.gz CJDDMTJUWQGSSM-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM COc1cc(-c2nc(-c3ccc4[nH]c(C)c(C)c4c3)no2)cc(OC)c1[O-] ZINC000436685397 1099219906 /nfs/dbraw/zinc/21/99/06/1099219906.db2.gz AOVWCDIYIOYHRH-UHFFFAOYSA-N -1 3 365.389 4.225 20 0 FIADHM CC[C@@H](C)Oc1ccc(-c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)cc1 ZINC000436688455 1099220860 /nfs/dbraw/zinc/22/08/60/1099220860.db2.gz LAWFVSRRJRKQIZ-GFCCVEGCSA-N -1 3 370.405 4.304 20 0 FIADHM COc1cc(-c2nc(Cc3ccc(C(C)C)cc3)no2)cc(OC)c1[O-] ZINC000436686594 1099221460 /nfs/dbraw/zinc/22/14/60/1099221460.db2.gz FJEWLKREYKTQDN-UHFFFAOYSA-N -1 3 354.406 4.174 20 0 FIADHM CCOc1cc(-c2nc3c(cccc3F)[nH]2)cc(Br)c1[O-] ZINC000436736384 1099256213 /nfs/dbraw/zinc/25/62/13/1099256213.db2.gz GQFRTZJZCOXBBE-UHFFFAOYSA-N -1 3 351.175 4.236 20 0 FIADHM CC(=O)N(c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1)[C@@H]1C[C@H]1C ZINC000436738721 1099258543 /nfs/dbraw/zinc/25/85/43/1099258543.db2.gz MHSVDHUEDDKSEX-BFUOFWGJSA-N -1 3 352.434 4.023 20 0 FIADHM CCCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c([O-])c1 ZINC000436731571 1099269440 /nfs/dbraw/zinc/26/94/40/1099269440.db2.gz PTJGKVHYFPQSGH-UHFFFAOYSA-N -1 3 356.447 4.437 20 0 FIADHM Cn1cccc1[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436757733 1099271909 /nfs/dbraw/zinc/27/19/09/1099271909.db2.gz WNOOZBJMOYNORK-NRFANRHFSA-N -1 3 360.457 4.299 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]1c1cccnc1 ZINC000436755620 1099291294 /nfs/dbraw/zinc/29/12/94/1099291294.db2.gz NJMPCWRXPOHFJL-NRFANRHFSA-N -1 3 358.441 4.355 20 0 FIADHM C[C@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1ccccc1C(F)(F)F ZINC000533674830 1099315789 /nfs/dbraw/zinc/31/57/89/1099315789.db2.gz LPNUSQJPHYOMMN-GFCCVEGCSA-N -1 3 374.366 4.045 20 0 FIADHM COC(C)(C)CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436793163 1099323497 /nfs/dbraw/zinc/32/34/97/1099323497.db2.gz PZVIYEPNRLHPEO-UHFFFAOYSA-N -1 3 356.447 4.423 20 0 FIADHM O=C(c1cc2ccccc2cc1[O-])N1CCC(CCCn2ccnc2)CC1 ZINC000436809706 1099336544 /nfs/dbraw/zinc/33/65/44/1099336544.db2.gz PMNGSDGSQWKEAX-UHFFFAOYSA-N -1 3 363.461 4.075 20 0 FIADHM CCOCCOCc1cccc(NC(=O)c2ccc(CC)cc2[O-])c1C ZINC000436836589 1099346510 /nfs/dbraw/zinc/34/65/10/1099346510.db2.gz ZVXRBATVUQDCHK-UHFFFAOYSA-N -1 3 357.450 4.068 20 0 FIADHM CCc1ccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c([O-])c1 ZINC000436837620 1099347812 /nfs/dbraw/zinc/34/78/12/1099347812.db2.gz HTCLRBJCAFYEHK-YJYMSZOUSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)c([O-])c1 ZINC000436821612 1099350643 /nfs/dbraw/zinc/35/06/43/1099350643.db2.gz PRLHKMPXDZOORI-IBGZPJMESA-N -1 3 363.461 4.302 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000436855635 1099356423 /nfs/dbraw/zinc/35/64/23/1099356423.db2.gz QANOODYMESCFSY-UHFFFAOYSA-N -1 3 366.244 4.424 20 0 FIADHM CSC[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436849464 1099367457 /nfs/dbraw/zinc/36/74/57/1099367457.db2.gz FBRPIWCKBOWJTP-SFHVURJKSA-N -1 3 355.503 4.198 20 0 FIADHM Cn1cc(-c2cnc3ccc(Nc4ccc([O-])c(F)c4F)cc3c2)cn1 ZINC001212007401 1099372325 /nfs/dbraw/zinc/37/23/25/1099372325.db2.gz BBAORGZQNPYDBP-UHFFFAOYSA-N -1 3 352.344 4.363 20 0 FIADHM Cn1nc(Br)c2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212009280 1099375881 /nfs/dbraw/zinc/37/58/81/1099375881.db2.gz MIIXDXBHTIRPGY-UHFFFAOYSA-N -1 3 354.154 4.063 20 0 FIADHM COc1cc(Br)cc(OC)c1Nc1ccc([O-])c(F)c1F ZINC001212016520 1099383166 /nfs/dbraw/zinc/38/31/66/1099383166.db2.gz UMILDUPCJRCSQM-UHFFFAOYSA-N -1 3 360.154 4.194 20 0 FIADHM CC[C@H](NC(=O)c1ccccc1)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436879624 1099395206 /nfs/dbraw/zinc/39/52/06/1099395206.db2.gz GSVUMXVKHXANGG-SFHVURJKSA-N -1 3 373.412 4.477 20 0 FIADHM CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436879622 1099395958 /nfs/dbraw/zinc/39/59/58/1099395958.db2.gz GSVUMXVKHXANGG-GOSISDBHSA-N -1 3 373.412 4.477 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1F ZINC000614873855 1099419147 /nfs/dbraw/zinc/41/91/47/1099419147.db2.gz BKADAPSUARBNSO-UHFFFAOYSA-N -1 3 367.442 4.121 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(Cc2cscn2)no1 ZINC000436896104 1099421308 /nfs/dbraw/zinc/42/13/08/1099421308.db2.gz LCNZXSLGODDHDI-UHFFFAOYSA-N -1 3 365.414 4.069 20 0 FIADHM Cc1cc([C@H]2CN(C(=O)c3ccc(C(C)C)cc3[O-])CCO2)ccc1F ZINC000436914745 1099431665 /nfs/dbraw/zinc/43/16/65/1099431665.db2.gz KPYQEQRFAGLNAN-HXUWFJFHSA-N -1 3 357.425 4.177 20 0 FIADHM Cc1cc(-c2noc(-c3cc4ccccc4cc3[O-])n2)ccc1-n1cncn1 ZINC000436938559 1099451629 /nfs/dbraw/zinc/45/16/29/1099451629.db2.gz JLWSNOJNLIBCJE-UHFFFAOYSA-N -1 3 369.384 4.152 20 0 FIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c(C)c1 ZINC000516417438 1099453365 /nfs/dbraw/zinc/45/33/65/1099453365.db2.gz QBTAWTCHIUDQBR-UHFFFAOYSA-N -1 3 363.479 4.292 20 0 FIADHM CCCC[C@@H](CCC)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000436962612 1099462055 /nfs/dbraw/zinc/46/20/55/1099462055.db2.gz MIOYGCOTWKPVAB-CQSZACIVSA-N -1 3 373.453 4.030 20 0 FIADHM CN(CCOc1ccccc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436953087 1099469561 /nfs/dbraw/zinc/46/95/61/1099469561.db2.gz LKAQIKMBTRXDFY-UHFFFAOYSA-N -1 3 363.413 4.336 20 0 FIADHM Cc1cccc(C(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1[O-] ZINC000436957857 1099474238 /nfs/dbraw/zinc/47/42/38/1099474238.db2.gz BGUJJPFYSLJRJD-UHFFFAOYSA-N -1 3 361.323 4.157 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC000436971504 1099479284 /nfs/dbraw/zinc/47/92/84/1099479284.db2.gz KEQUVVGQBWNJHA-INIZCTEOSA-N -1 3 357.425 4.340 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c([O-])c1 ZINC000436973880 1099481064 /nfs/dbraw/zinc/48/10/64/1099481064.db2.gz VOWDZLSCBFTWGK-UHFFFAOYSA-N -1 3 369.461 4.297 20 0 FIADHM CC(C)c1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436982997 1099487745 /nfs/dbraw/zinc/48/77/45/1099487745.db2.gz WGQKYGGVKBNZEO-FXAWDEMLSA-N -1 3 357.425 4.305 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2ccc(-n3cccn3)cc2)no1 ZINC000436995865 1099501126 /nfs/dbraw/zinc/50/11/26/1099501126.db2.gz JHBJKGDZEBKXQV-UHFFFAOYSA-N -1 3 368.396 4.372 20 0 FIADHM O=C(NC1CC1)c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000436996471 1099502041 /nfs/dbraw/zinc/50/20/41/1099502041.db2.gz LEJXXDRZARCLQO-UHFFFAOYSA-N -1 3 371.396 4.155 20 0 FIADHM CCCCOc1ccc(C(=O)N(C)[C@H]2CC[C@H](SCC)C2)c([O-])c1 ZINC000436986379 1099504398 /nfs/dbraw/zinc/50/43/98/1099504398.db2.gz JLCIECDLVRATHZ-HOCLYGCPSA-N -1 3 351.512 4.317 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3csc(-c4ccccc4)n3)no2)c1 ZINC000436999904 1099520998 /nfs/dbraw/zinc/52/09/98/1099520998.db2.gz SMTPRMFBGWWWBN-UHFFFAOYSA-N -1 3 365.414 4.165 20 0 FIADHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000437109619 1099615028 /nfs/dbraw/zinc/61/50/28/1099615028.db2.gz SIZVWWSWYSPCIG-FQEVSTJZSA-N -1 3 366.436 4.007 20 0 FIADHM Cc1nc([C@H](C)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000263139356 1099766961 /nfs/dbraw/zinc/76/69/61/1099766961.db2.gz DLZNLOXNFKUJSK-WHOFXGATSA-N -1 3 362.857 4.407 20 0 FIADHM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000263468636 1099792047 /nfs/dbraw/zinc/79/20/47/1099792047.db2.gz DCHAXZUYLXKYMI-UHFFFAOYSA-N -1 3 368.296 4.473 20 0 FIADHM Cc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1-c1ccccc1 ZINC000428584673 1099817049 /nfs/dbraw/zinc/81/70/49/1099817049.db2.gz VTXHAJCUVCKMPC-UHFFFAOYSA-N -1 3 368.436 4.434 20 0 FIADHM Cc1cnc(CCN(C)[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000516975883 1099964067 /nfs/dbraw/zinc/96/40/67/1099964067.db2.gz LQKFBSFUKVEIJG-CQSZACIVSA-N -1 3 359.278 4.059 20 0 FIADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2nccc3ccccc32)no1 ZINC000517060628 1100027473 /nfs/dbraw/zinc/02/74/73/1100027473.db2.gz KGJGYORBHOIJNQ-UHFFFAOYSA-N -1 3 368.755 4.330 20 0 FIADHM C[C@H]1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000517235881 1100209718 /nfs/dbraw/zinc/20/97/18/1100209718.db2.gz ZSNFXXVEJGDXFR-DZGCQCFKSA-N -1 3 361.388 4.300 20 0 FIADHM COCc1ccc([C@@H]2CCCN2Cc2cccc([O-])c2Br)o1 ZINC000459520973 1100269653 /nfs/dbraw/zinc/26/96/53/1100269653.db2.gz GUGRXEGPFKRDGY-AWEZNQCLSA-N -1 3 366.255 4.231 20 0 FIADHM Cc1sc2ncnc(NCc3ccc([O-])c(Br)c3)c2c1C ZINC000506158157 1100286944 /nfs/dbraw/zinc/28/69/44/1100286944.db2.gz OXYQZJQUFIBNDT-UHFFFAOYSA-N -1 3 364.268 4.388 20 0 FIADHM CCOc1cc(CN(C)Cc2nc(-c3ccccc3)c[nH]2)cc(Cl)c1[O-] ZINC000459596957 1100334994 /nfs/dbraw/zinc/33/49/94/1100334994.db2.gz XYOMGUWZGXJPBB-UHFFFAOYSA-N -1 3 371.868 4.466 20 0 FIADHM CCc1nc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c(C)o1 ZINC000517406372 1100355840 /nfs/dbraw/zinc/35/58/40/1100355840.db2.gz ZWEKWMRQYKUQBC-UHFFFAOYSA-N -1 3 366.805 4.109 20 0 FIADHM COc1ccc([C@H](C)CCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000469398664 1100710661 /nfs/dbraw/zinc/71/06/61/1100710661.db2.gz YVNOGYAKWIOVAV-OAHLLOKOSA-N -1 3 359.441 4.173 20 0 FIADHM CC(C)(C)c1ncc(C(=O)Nc2ccc(Br)cc2[O-])s1 ZINC000517863669 1100740707 /nfs/dbraw/zinc/74/07/07/1100740707.db2.gz FCRCRHNNDCGKIE-UHFFFAOYSA-N -1 3 355.257 4.161 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC(C)(C(C)C)CC3)cc2)cc(=O)[n-]1 ZINC000426084997 1100802653 /nfs/dbraw/zinc/80/26/53/1100802653.db2.gz LHGBNPMOKVZMOK-UHFFFAOYSA-N -1 3 368.481 4.448 20 0 FIADHM CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H](COC)Cc1ccccc1 ZINC000517949427 1100815417 /nfs/dbraw/zinc/81/54/17/1100815417.db2.gz VZPFWSUYQLYTLA-GOSISDBHSA-N -1 3 361.869 4.118 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(C)c1C ZINC000438771187 1100907043 /nfs/dbraw/zinc/90/70/43/1100907043.db2.gz MDMVJLQAYKBPNP-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C1CCCC1 ZINC001211846341 1101009820 /nfs/dbraw/zinc/00/98/20/1101009820.db2.gz SOZDKOSRRIPJSO-OAHLLOKOSA-N -1 3 350.509 4.057 20 0 FIADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000439052107 1101119796 /nfs/dbraw/zinc/11/97/96/1101119796.db2.gz DEHXIYVGHRZFOA-SFHVURJKSA-N -1 3 365.433 4.006 20 0 FIADHM C[C@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccccc1C(F)(F)F ZINC000439141005 1101196219 /nfs/dbraw/zinc/19/62/19/1101196219.db2.gz JWLWMBDZUIBXAZ-GFCCVEGCSA-N -1 3 374.366 4.045 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H]3SCCc4sccc43)[nH][n-]2)c1 ZINC000439161078 1101206970 /nfs/dbraw/zinc/20/69/70/1101206970.db2.gz WNAMMSPBNAVSGW-SFHVURJKSA-N -1 3 369.515 4.146 20 0 FIADHM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2F)c1 ZINC000536894764 1101312520 /nfs/dbraw/zinc/31/25/20/1101312520.db2.gz WYVNJAVJDPHQEK-UHFFFAOYSA-N -1 3 373.453 4.046 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000648431353 1101325910 /nfs/dbraw/zinc/32/59/10/1101325910.db2.gz RNIWCFXCUYXQIG-SDDRHHMPSA-N -1 3 363.811 4.066 20 0 FIADHM Cc1cc(CN(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)oc1C(=O)[O-] ZINC000518782540 1101547145 /nfs/dbraw/zinc/54/71/45/1101547145.db2.gz BESQJHCHOTUGCC-LLVKDONJSA-N -1 3 372.248 4.492 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000439680739 1101669087 /nfs/dbraw/zinc/66/90/87/1101669087.db2.gz GHXJNOMHWRRANW-IBGZPJMESA-N -1 3 374.484 4.403 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c(C)c1 ZINC000506661123 1101711326 /nfs/dbraw/zinc/71/13/26/1101711326.db2.gz GLCXSIOBIUIFFG-UHFFFAOYSA-N -1 3 353.443 4.471 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(CCC(C)C)C3CC3)cc2)cc(=O)[n-]1 ZINC000518910273 1101712693 /nfs/dbraw/zinc/71/26/93/1101712693.db2.gz HMTQBWJMMMPEOV-UHFFFAOYSA-N -1 3 354.454 4.200 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCC[C@@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000519057554 1101879520 /nfs/dbraw/zinc/87/95/20/1101879520.db2.gz VBWOGGQBWAUXBX-AEFFLSMTSA-N -1 3 368.481 4.494 20 0 FIADHM C[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(=O)c1cccc(F)c1 ZINC000476129558 1101957087 /nfs/dbraw/zinc/95/70/87/1101957087.db2.gz BXTXOPGDOCGQOD-JTQLQIEISA-N -1 3 369.314 4.398 20 0 FIADHM Cc1cc(C)cc(NC(=S)N[N-]C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000006572372 1101991540 /nfs/dbraw/zinc/99/15/40/1101991540.db2.gz YEZIMOQELPGSQC-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccc(Br)cc1[O-] ZINC000666329523 1102105101 /nfs/dbraw/zinc/10/51/01/1102105101.db2.gz PUMQVUCZVSZRGH-JSGCOSHPSA-N -1 3 360.198 4.309 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c(C)c1 ZINC000475833924 1102128754 /nfs/dbraw/zinc/12/87/54/1102128754.db2.gz RASVUNGCDLVLNS-UHFFFAOYSA-N -1 3 352.459 4.475 20 0 FIADHM Cc1cn2cc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2n1 ZINC000506805999 1102151988 /nfs/dbraw/zinc/15/19/88/1102151988.db2.gz MZVNQZWPVTXWSS-UHFFFAOYSA-N -1 3 363.442 4.111 20 0 FIADHM COc1c(Cl)cc(Cl)cc1CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000263460569 1102165451 /nfs/dbraw/zinc/16/54/51/1102165451.db2.gz BQRCNBDJFQIQKG-KMUNFCNLSA-N -1 3 358.265 4.220 20 0 FIADHM O=C([O-])[C@H](CCCNCc1coc(-c2ccccc2)n1)Cc1ccccc1 ZINC000426642999 1102228403 /nfs/dbraw/zinc/22/84/03/1102228403.db2.gz MEGISFUDSGDVFF-LJQANCHMSA-N -1 3 364.445 4.155 20 0 FIADHM COc1ccccc1/C=C/CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666585935 1102313349 /nfs/dbraw/zinc/31/33/49/1102313349.db2.gz KJOVJOKIKSRLTO-SOFGYWHQSA-N -1 3 351.446 4.286 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2cccc(Br)c2)CC1 ZINC000111210708 1102476481 /nfs/dbraw/zinc/47/64/81/1102476481.db2.gz SURLFFLPCGHEIW-UHFFFAOYSA-N -1 3 366.642 4.478 20 0 FIADHM CCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2[O-])cc1OC ZINC000111210093 1102477146 /nfs/dbraw/zinc/47/71/46/1102477146.db2.gz WONCGZRKHOSCTF-UHFFFAOYSA-N -1 3 356.205 4.359 20 0 FIADHM COc1ccc2cc(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)[nH]c2c1 ZINC000536518954 1102634636 /nfs/dbraw/zinc/63/46/36/1102634636.db2.gz PRMJNUZCBSONSZ-UHFFFAOYSA-N -1 3 350.296 4.153 20 0 FIADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1c(F)cccc1F ZINC000536532865 1102673100 /nfs/dbraw/zinc/67/31/00/1102673100.db2.gz SJFHVPZSCVCTHT-MRVPVSSYSA-N -1 3 356.166 4.175 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1 ZINC000537663960 1102776864 /nfs/dbraw/zinc/77/68/64/1102776864.db2.gz RZGDEJPXUFCROH-UHFFFAOYSA-N -1 3 359.429 4.122 20 0 FIADHM COc1cccc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c1[O-] ZINC000187911380 1102779359 /nfs/dbraw/zinc/77/93/59/1102779359.db2.gz DDIAGZCTIYUCMA-UHFFFAOYSA-N -1 3 363.413 4.256 20 0 FIADHM Cc1ccc(CN(Cc2ccco2)Cc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000459319665 1102790572 /nfs/dbraw/zinc/79/05/72/1102790572.db2.gz DISSRSYAGRGHTH-UHFFFAOYSA-N -1 3 355.463 4.225 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000129483980 1102791676 /nfs/dbraw/zinc/79/16/76/1102791676.db2.gz RGOGQXPUEJFGEZ-MRRJBJDNSA-N -1 3 366.442 4.175 20 0 FIADHM Cc1ccc([C@H](NCc2cc(Br)c(Cl)s2)C(=O)[O-])cc1 ZINC000426672278 1102862467 /nfs/dbraw/zinc/86/24/67/1102862467.db2.gz QTSDFMFTSUYYNB-LBPRGKRZSA-N -1 3 374.687 4.388 20 0 FIADHM CCOc1cc(CNc2cccc(-c3nncn3CC)c2)cc(Cl)c1[O-] ZINC000459344728 1102866676 /nfs/dbraw/zinc/86/66/76/1102866676.db2.gz HWGGJJDTDMVISF-UHFFFAOYSA-N -1 3 372.856 4.335 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@H](CC(=O)[O-])c3ccsc3)s2)cc1 ZINC000426677053 1102923155 /nfs/dbraw/zinc/92/31/55/1102923155.db2.gz IVTCBUSFABIENS-MRXNPFEDSA-N -1 3 358.488 4.486 20 0 FIADHM O=C([O-])[C@H](CNCc1coc(-c2ccccc2)n1)Cc1ccccc1Cl ZINC000426700909 1102929521 /nfs/dbraw/zinc/92/95/21/1102929521.db2.gz WAWKWYJCQRNLGP-INIZCTEOSA-N -1 3 370.836 4.028 20 0 FIADHM CC(C)(C)c1nc(CNC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cs1 ZINC000426700568 1102930346 /nfs/dbraw/zinc/93/03/46/1102930346.db2.gz SACOSGVZGSMXHP-ZDUSSCGKSA-N -1 3 366.914 4.127 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Br)cc1F)c1ccccc1 ZINC000426718074 1102938667 /nfs/dbraw/zinc/93/86/67/1102938667.db2.gz UYPGGZQBCDYEOU-BDJLRTHQSA-N -1 3 366.230 4.140 20 0 FIADHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC(C)C ZINC000426727092 1102938929 /nfs/dbraw/zinc/93/89/29/1102938929.db2.gz MNOPOENFKYUNSW-SFHVURJKSA-N -1 3 363.841 4.051 20 0 FIADHM Cc1nc(COc2ccc(CNCc3ccc(C(=O)[O-])cc3)cc2)cs1 ZINC000426707621 1102945094 /nfs/dbraw/zinc/94/50/94/1102945094.db2.gz BCGNEDMSUJROOT-UHFFFAOYSA-N -1 3 368.458 4.019 20 0 FIADHM Cc1cccc([C@@H](NCc2csc(Br)c2)C(=O)[O-])c1C ZINC000426730041 1102949317 /nfs/dbraw/zinc/94/93/17/1102949317.db2.gz IYKVCGOJQIDVCK-CQSZACIVSA-N -1 3 354.269 4.043 20 0 FIADHM O=C([O-])[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000426736299 1102955783 /nfs/dbraw/zinc/95/57/83/1102955783.db2.gz IQOOGQOCLHRDKW-CQSZACIVSA-N -1 3 361.722 4.413 20 0 FIADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000476926062 1102956559 /nfs/dbraw/zinc/95/65/59/1102956559.db2.gz RAHIETYXPXQQCL-AWEZNQCLSA-N -1 3 372.273 4.022 20 0 FIADHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1Br ZINC000426743509 1102960602 /nfs/dbraw/zinc/96/06/02/1102960602.db2.gz ODRMBPFCOLBSJU-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OCC ZINC000426726233 1102962601 /nfs/dbraw/zinc/96/26/01/1102962601.db2.gz IDENEWCXOPJHIL-SFHVURJKSA-N -1 3 363.841 4.053 20 0 FIADHM COc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OCC(C)C ZINC000426764615 1102963523 /nfs/dbraw/zinc/96/35/23/1102963523.db2.gz XPURXKJDUFPUMM-NRFANRHFSA-N -1 3 371.477 4.262 20 0 FIADHM Cc1cc2[nH]c(CN[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cc2c(C)c1 ZINC000426753743 1102969071 /nfs/dbraw/zinc/96/90/71/1102969071.db2.gz KRHUJHDSBWXIMZ-SFHVURJKSA-N -1 3 360.816 4.493 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000426754934 1102970718 /nfs/dbraw/zinc/97/07/18/1102970718.db2.gz VIDXXUAHYQJWEE-KDOFPFPSSA-N -1 3 352.459 4.362 20 0 FIADHM CC(C)(C)c1ncc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)s1 ZINC000152505610 1102973754 /nfs/dbraw/zinc/97/37/54/1102973754.db2.gz QQFSLJRERNTKBV-VOTSOKGWSA-N -1 3 360.464 4.308 20 0 FIADHM CC(C)c1ccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1 ZINC000426759393 1102974022 /nfs/dbraw/zinc/97/40/22/1102974022.db2.gz WKVSBCPIRFNFBL-NRFANRHFSA-N -1 3 363.461 4.301 20 0 FIADHM O=C([O-])C[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccc(F)cc1 ZINC000426768634 1102976316 /nfs/dbraw/zinc/97/63/16/1102976316.db2.gz ATYMMQNOEASETK-OAHLLOKOSA-N -1 3 362.451 4.316 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2csc3ccccc23)cc1OC ZINC000426786513 1102990896 /nfs/dbraw/zinc/99/08/96/1102990896.db2.gz WDWWWIPBXIWMRY-MRXNPFEDSA-N -1 3 371.458 4.224 20 0 FIADHM CCOc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000426797162 1102996315 /nfs/dbraw/zinc/99/63/15/1102996315.db2.gz FMHXNBGWGACNOF-INIZCTEOSA-N -1 3 363.841 4.053 20 0 FIADHM Cc1cc([C@@H](NCc2cccc(Br)c2)C(=O)[O-])ccc1Cl ZINC000426798276 1102997803 /nfs/dbraw/zinc/99/78/03/1102997803.db2.gz HQJMYEDYBHYCQL-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM CC(C)(C)[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000426802350 1102999203 /nfs/dbraw/zinc/99/92/03/1102999203.db2.gz VPIJRDVCSZVDFA-ZDUSSCGKSA-N -1 3 372.412 4.418 20 0 FIADHM CC(C)Oc1ccccc1CNCc1cccc([O-])c1Br ZINC000459377714 1103006449 /nfs/dbraw/zinc/00/64/49/1103006449.db2.gz URJXWXQGSCMWCT-UHFFFAOYSA-N -1 3 350.256 4.232 20 0 FIADHM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000426810417 1103006722 /nfs/dbraw/zinc/00/67/22/1103006722.db2.gz ZKBVBNBSQLBILJ-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM O=C([N-]c1nc(-c2ccccn2)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000515043454 1103118989 /nfs/dbraw/zinc/11/89/89/1103118989.db2.gz RCQHUJUGASFVGK-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM COCCOc1cc(C)ccc1NCc1cccc([O-])c1Br ZINC000315320576 1103229353 /nfs/dbraw/zinc/22/93/53/1103229353.db2.gz HMYWFCURJREXSV-UHFFFAOYSA-N -1 3 366.255 4.100 20 0 FIADHM O=C(c1ccc(Cl)cc1)C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507260397 1103256558 /nfs/dbraw/zinc/25/65/58/1103256558.db2.gz DINLOGPLMPVDIH-UHFFFAOYSA-N -1 3 365.807 4.419 20 0 FIADHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000507508983 1103451773 /nfs/dbraw/zinc/45/17/73/1103451773.db2.gz KFWUGUJJYVPRGH-LLVKDONJSA-N -1 3 357.447 4.116 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)SCC(C)(C)C)nc(=O)c2c1C ZINC000440598328 1103806961 /nfs/dbraw/zinc/80/69/61/1103806961.db2.gz WASJPCBFDPLYDK-JTQLQIEISA-N -1 3 368.524 4.310 20 0 FIADHM CCc1cc2c(CN3CCc4[nH]c5ccccc5c4C3)cc(=O)oc2cc1[O-] ZINC000729481963 1103954124 /nfs/dbraw/zinc/95/41/24/1103954124.db2.gz CTMBQJJWEAWAJU-UHFFFAOYSA-N -1 3 374.440 4.101 20 0 FIADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000520037562 1104042575 /nfs/dbraw/zinc/04/25/75/1104042575.db2.gz JNGHXFDVUZCKKU-UHFFFAOYSA-N -1 3 357.381 4.337 20 0 FIADHM CCOc1ccc(CCC2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000520594742 1105027818 /nfs/dbraw/zinc/02/78/18/1105027818.db2.gz QIMYLRHEIRWCJS-UHFFFAOYSA-N -1 3 368.477 4.023 20 0 FIADHM Cc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(OC(F)F)cc1C ZINC000417629443 1105030368 /nfs/dbraw/zinc/03/03/68/1105030368.db2.gz QFGJYWSSYQQCCX-IAGOWNOFSA-N -1 3 361.388 4.308 20 0 FIADHM CCC[C@H](CCCCNCc1c(F)cccc1Br)C(=O)[O-] ZINC000417635388 1105038986 /nfs/dbraw/zinc/03/89/86/1105038986.db2.gz DXJYPIWFGXCPDW-GFCCVEGCSA-N -1 3 360.267 4.349 20 0 FIADHM C[C@@H](c1ccccc1F)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000053124962 1105154697 /nfs/dbraw/zinc/15/46/97/1105154697.db2.gz AYZAGEQLNJJCIE-LBPRGKRZSA-N -1 3 351.381 4.001 20 0 FIADHM Cc1ccc(-c2c[nH]cc2C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)s1 ZINC000428021261 1105341753 /nfs/dbraw/zinc/34/17/53/1105341753.db2.gz IJMMXCHFWMQUMI-UHFFFAOYSA-N -1 3 362.458 4.424 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000508241310 1105366436 /nfs/dbraw/zinc/36/64/36/1105366436.db2.gz ZLRJSAYLMASMPV-UHFFFAOYSA-N -1 3 356.850 4.409 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc2c(cc1Cl)CCC2 ZINC000530020425 1106781310 /nfs/dbraw/zinc/78/13/10/1106781310.db2.gz HNAFMHHWBRVBBG-UHFFFAOYSA-N -1 3 359.857 4.183 20 0 FIADHM CCc1cccc(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)c1[O-] ZINC000544382387 1106912759 /nfs/dbraw/zinc/91/27/59/1106912759.db2.gz QZYKHECXWLCNAS-INIZCTEOSA-N -1 3 357.454 4.219 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(CC3CC3)CC3CCC3)cc2)cc(=O)[n-]1 ZINC000530322756 1106966031 /nfs/dbraw/zinc/96/60/31/1106966031.db2.gz DEJFYVMRRMJGRY-UHFFFAOYSA-N -1 3 366.465 4.202 20 0 FIADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451210950 1106974621 /nfs/dbraw/zinc/97/46/21/1106974621.db2.gz HJPQAUZWWCOGQT-HNNXBMFYSA-N -1 3 355.331 4.192 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccccc4C)C[C@H]3C)nc2)n1 ZINC000301389145 1107013275 /nfs/dbraw/zinc/01/32/75/1107013275.db2.gz XWKPPNHJHIFOFD-AEFFLSMTSA-N -1 3 374.488 4.497 20 0 FIADHM Cc1nc(-c2ccc(N(C)Cc3ccc(F)cc3Cl)nc2)[n-]c(=O)c1C ZINC000301395031 1107016414 /nfs/dbraw/zinc/01/64/14/1107016414.db2.gz LCGSGZOUHCETRE-UHFFFAOYSA-N -1 3 372.831 4.290 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](c3cccnc3)C(C)C)nc2)n1 ZINC000301571578 1107073382 /nfs/dbraw/zinc/07/33/82/1107073382.db2.gz MESCVWQHXWUYDG-SFHVURJKSA-N -1 3 363.465 4.053 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](c3ncc(C)s3)C3CC3)nc2)n1 ZINC000301588404 1107078016 /nfs/dbraw/zinc/07/80/16/1107078016.db2.gz PUIWIOSRXOPVAI-QGZVFWFLSA-N -1 3 367.478 4.135 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCOC4(CCCCC4)C3)nc2)n1 ZINC000301700327 1107114443 /nfs/dbraw/zinc/11/44/43/1107114443.db2.gz PKYGVRBTSAFOEG-QGZVFWFLSA-N -1 3 368.481 4.100 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1c(Cl)cccc1Cl ZINC000530614750 1107194169 /nfs/dbraw/zinc/19/41/69/1107194169.db2.gz NWXALPRHTWASBU-UHFFFAOYSA-N -1 3 368.264 4.025 20 0 FIADHM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000451677633 1107244520 /nfs/dbraw/zinc/24/45/20/1107244520.db2.gz VEMBQUYRXWTUIM-RDTXWAMCSA-N -1 3 357.425 4.082 20 0 FIADHM O=C(CCCOCc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000530777743 1107313356 /nfs/dbraw/zinc/31/33/56/1107313356.db2.gz QQQOGFAEEIHEJF-UHFFFAOYSA-N -1 3 364.239 4.090 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(Cl)c(C)c3)nc2)n1 ZINC000302146323 1107316581 /nfs/dbraw/zinc/31/65/81/1107316581.db2.gz RGRUPXVEUHESGQ-UHFFFAOYSA-N -1 3 354.841 4.381 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(CSC)c3)nc2)n1 ZINC000302490464 1107375047 /nfs/dbraw/zinc/37/50/47/1107375047.db2.gz JXGNKZMZTCWJNK-UHFFFAOYSA-N -1 3 366.490 4.282 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c1 ZINC000444403622 1107555094 /nfs/dbraw/zinc/55/50/94/1107555094.db2.gz IDDPJIKKPCTHTM-DJJJIMSYSA-N -1 3 359.853 4.210 20 0 FIADHM O=C(COC(=O)c1ccc([O-])cc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003507978 1107626129 /nfs/dbraw/zinc/62/61/29/1107626129.db2.gz QSLXHDXMHHFBRG-UHFFFAOYSA-N -1 3 374.607 4.148 20 0 FIADHM O=C(CCc1ccnc2ccccc12)Nc1cc(Br)ccc1[O-] ZINC000531254047 1107705243 /nfs/dbraw/zinc/70/52/43/1107705243.db2.gz KZYDTXSVXCUYSV-UHFFFAOYSA-N -1 3 371.234 4.274 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCc4ccccc4[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000531365894 1107804452 /nfs/dbraw/zinc/80/44/52/1107804452.db2.gz DUQUBDYVRHSRGA-AWEZNQCLSA-N -1 3 374.444 4.309 20 0 FIADHM C[C@H](Oc1ccc(C(=O)Nc2cc(F)ccc2[O-])cn1)c1ccccc1 ZINC000531373071 1107815609 /nfs/dbraw/zinc/81/56/09/1107815609.db2.gz DTWJVGUKLFZFRO-ZDUSSCGKSA-N -1 3 352.365 4.319 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1 ZINC000523186336 1107972326 /nfs/dbraw/zinc/97/23/26/1107972326.db2.gz ASRNAGKOYGASGP-UHFFFAOYSA-N -1 3 352.459 4.420 20 0 FIADHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000531772652 1108163124 /nfs/dbraw/zinc/16/31/24/1108163124.db2.gz GTHZDOZDMLPSKU-UHFFFAOYSA-N -1 3 352.203 4.210 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000523513016 1108277069 /nfs/dbraw/zinc/27/70/69/1108277069.db2.gz CZOGVPQPLMQNSJ-GOSISDBHSA-N -1 3 374.412 4.321 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nccc(C)n3)c2)c(C)c1 ZINC000524188321 1108896774 /nfs/dbraw/zinc/89/67/74/1108896774.db2.gz XWCLNLKBYWVIBZ-UHFFFAOYSA-N -1 3 367.474 4.178 20 0 FIADHM Cc1ccc(F)cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000445595560 1108909489 /nfs/dbraw/zinc/90/94/89/1108909489.db2.gz GDANBMJVMBQJOX-UHFFFAOYSA-N -1 3 366.421 4.261 20 0 FIADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000446090573 1109103549 /nfs/dbraw/zinc/10/35/49/1109103549.db2.gz LXIVPMBZPDPBRC-UHFFFAOYSA-N -1 3 363.446 4.259 20 0 FIADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000446090573 1109103552 /nfs/dbraw/zinc/10/35/52/1109103552.db2.gz LXIVPMBZPDPBRC-UHFFFAOYSA-N -1 3 363.446 4.259 20 0 FIADHM CCC(CC)c1cc(C(=O)[N-]c2sc3c(c2C(=O)OC)CCC3)on1 ZINC000525004505 1109229001 /nfs/dbraw/zinc/22/90/01/1109229001.db2.gz RKQJCLBISXOEOM-UHFFFAOYSA-N -1 3 362.451 4.167 20 0 FIADHM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000446877997 1109377082 /nfs/dbraw/zinc/37/70/82/1109377082.db2.gz RCGUXYYBEZAUKQ-JOCHJYFZSA-N -1 3 372.399 4.187 20 0 FIADHM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cc(F)cc(F)c1 ZINC000447271877 1109485765 /nfs/dbraw/zinc/48/57/65/1109485765.db2.gz AMTOOXSUKNGHHW-UHFFFAOYSA-N -1 3 353.321 4.165 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)c(C)c1 ZINC000447260699 1109488832 /nfs/dbraw/zinc/48/88/32/1109488832.db2.gz MXAXUPUHNOPQIM-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC3CCC(C)(C)CC3)cc2)cc(=O)[n-]1 ZINC000525774725 1109514355 /nfs/dbraw/zinc/51/43/55/1109514355.db2.gz XPDNBLOSTFTCTE-UHFFFAOYSA-N -1 3 354.454 4.248 20 0 FIADHM Cc1cc2occ(CC(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)c2cc1C(C)C ZINC000525968530 1109574409 /nfs/dbraw/zinc/57/44/09/1109574409.db2.gz HXIGJWIVNSJZDT-SFHVURJKSA-N -1 3 367.449 4.042 20 0 FIADHM CC(C)OCc1ccccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000526051659 1109603937 /nfs/dbraw/zinc/60/39/37/1109603937.db2.gz LZGLLBDKPLHGFF-UHFFFAOYSA-N -1 3 359.441 4.095 20 0 FIADHM CN(C)[C@H]1CCOc2c(NC(=O)c3ccc4ccccc4c3[O-])cccc21 ZINC000447726571 1109626780 /nfs/dbraw/zinc/62/67/80/1109626780.db2.gz HIBJLWZGIFKYNC-IBGZPJMESA-N -1 3 362.429 4.183 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1F ZINC000447795923 1109642575 /nfs/dbraw/zinc/64/25/75/1109642575.db2.gz QYFRGEJJIDRIGB-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC=C(c3cccc(Br)c3)CC2)n1 ZINC000447876501 1109665575 /nfs/dbraw/zinc/66/55/75/1109665575.db2.gz DQUZEODXKHJZPW-CYBMUJFWSA-N -1 3 374.282 4.103 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cc(Br)ccc2Cl)n1 ZINC000447884445 1109666659 /nfs/dbraw/zinc/66/66/59/1109666659.db2.gz XQTUHXPMLPYGAW-SNVBAGLBSA-N -1 3 370.678 4.100 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(Sc3ccc(Cl)cc3)CC2)n1 ZINC000447886981 1109667182 /nfs/dbraw/zinc/66/71/82/1109667182.db2.gz XQNKHXZTOQKOAP-ZDUSSCGKSA-N -1 3 363.914 4.462 20 0 FIADHM O=C(N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc2n[n-]nc21 ZINC000527362075 1109749586 /nfs/dbraw/zinc/74/95/86/1109749586.db2.gz MFOUJGVWJDIXBE-UKRRQHHQSA-N -1 3 374.366 4.043 20 0 FIADHM O=C(CCc1cnc2ccccc2c1)Nc1ccc(Br)cc1[O-] ZINC000527447372 1109754807 /nfs/dbraw/zinc/75/48/07/1109754807.db2.gz SPPZBJFKKRBKPC-UHFFFAOYSA-N -1 3 371.234 4.274 20 0 FIADHM CCC(CC)n1nc(C)cc1C(=O)N=c1cc(-c2ccccc2F)o[n-]1 ZINC000448489924 1109807491 /nfs/dbraw/zinc/80/74/91/1109807491.db2.gz KQHXPFMSKPCMMK-UHFFFAOYSA-N -1 3 356.401 4.021 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000449911689 1110203447 /nfs/dbraw/zinc/20/34/47/1110203447.db2.gz CEZRTFYNFFTJIA-MRXNPFEDSA-N -1 3 365.857 4.044 20 0 FIADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000450020235 1110222955 /nfs/dbraw/zinc/22/29/55/1110222955.db2.gz SOARLWZOVHXHCU-UHFFFAOYSA-N -1 3 369.358 4.016 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc2cccc(Br)c21 ZINC000529275402 1110240760 /nfs/dbraw/zinc/24/07/60/1110240760.db2.gz NZDSOYVWMFQLNN-CQSZACIVSA-N -1 3 365.227 4.182 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc2cccc(Br)c21 ZINC000529275402 1110240762 /nfs/dbraw/zinc/24/07/62/1110240762.db2.gz NZDSOYVWMFQLNN-CQSZACIVSA-N -1 3 365.227 4.182 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3coc4ccccc34)c2)n1 ZINC000552019340 1111110198 /nfs/dbraw/zinc/11/01/98/1111110198.db2.gz QTUNJPISZOWFON-UHFFFAOYSA-N -1 3 373.412 4.339 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2oc3c(ccc4ccccc34)c2C)[n-]n1 ZINC000538648419 1111234108 /nfs/dbraw/zinc/23/41/08/1111234108.db2.gz OKVCQYCCHHZJIX-UHFFFAOYSA-N -1 3 363.373 4.047 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2oc3c(ccc4ccccc34)c2C)n[n-]1 ZINC000538648419 1111234109 /nfs/dbraw/zinc/23/41/09/1111234109.db2.gz OKVCQYCCHHZJIX-UHFFFAOYSA-N -1 3 363.373 4.047 20 0 FIADHM CC[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)N(CC)CC ZINC000461495513 1111241166 /nfs/dbraw/zinc/24/11/66/1111241166.db2.gz LMYVRKLFFGVGOF-SNVBAGLBSA-N -1 3 353.677 4.411 20 0 FIADHM CC[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)N(CC)CC ZINC000461495506 1111241282 /nfs/dbraw/zinc/24/12/82/1111241282.db2.gz LMYVRKLFFGVGOF-JTQLQIEISA-N -1 3 353.677 4.411 20 0 FIADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1[O-] ZINC000538742507 1111274947 /nfs/dbraw/zinc/27/49/47/1111274947.db2.gz UACGBIZSVFTCIM-LJQANCHMSA-N -1 3 363.461 4.209 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c1 ZINC000538744378 1111277892 /nfs/dbraw/zinc/27/78/92/1111277892.db2.gz IOOJXQSBXVOLPQ-ORAYPTAESA-N -1 3 359.853 4.210 20 0 FIADHM O=c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)[n-]c2ccsc21 ZINC000461750013 1111340101 /nfs/dbraw/zinc/34/01/01/1111340101.db2.gz VIZKEAAGVFNPJI-UHFFFAOYSA-N -1 3 351.416 4.064 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2sc3nccc(C)c3c2C)c([O-])c1 ZINC000538926035 1111354298 /nfs/dbraw/zinc/35/42/98/1111354298.db2.gz CUKMNVOUFVMAMG-UHFFFAOYSA-N -1 3 370.430 4.048 20 0 FIADHM CSc1ccc([O-])c(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000667178462 1111376775 /nfs/dbraw/zinc/37/67/75/1111376775.db2.gz KWTMKYUYRQEMPX-BEFAXECRSA-N -1 3 357.475 4.012 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)sc1C ZINC000539109219 1111445323 /nfs/dbraw/zinc/44/53/23/1111445323.db2.gz VOUZTYPBQHKKIN-CYBMUJFWSA-N -1 3 363.426 4.337 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCC[C@@H]4CCCC[C@@H]34)cc2)n1 ZINC000552059416 1111561941 /nfs/dbraw/zinc/56/19/41/1111561941.db2.gz XSYIZJHHQCBFLM-KFKAGJAMSA-N -1 3 365.477 4.290 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc(C)c(Br)cc2C)c1[O-] ZINC000552069808 1111566257 /nfs/dbraw/zinc/56/62/57/1111566257.db2.gz KHJOOKRZDJPZDG-UHFFFAOYSA-N -1 3 362.223 4.226 20 0 FIADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc(Br)s2)c1[O-] ZINC000552069200 1111566770 /nfs/dbraw/zinc/56/67/70/1111566770.db2.gz IEIQTGTZODYVOJ-QMMMGPOBSA-N -1 3 368.252 4.161 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)C1CCN(c2nc3ccccc3o2)CC1 ZINC000552433670 1111705575 /nfs/dbraw/zinc/70/55/75/1111705575.db2.gz WAEDTZRIEINMDC-UHFFFAOYSA-N -1 3 371.824 4.042 20 0 FIADHM O=C(Cc1ccc(F)c(Br)c1)Nc1c([O-])cccc1Cl ZINC000552436833 1111706043 /nfs/dbraw/zinc/70/60/43/1111706043.db2.gz ZXINEVBBVVNIFJ-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM CC(C)c1cc(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)on1 ZINC000478534227 1111809898 /nfs/dbraw/zinc/80/98/98/1111809898.db2.gz BZHQYGXDKYUHEX-UHFFFAOYSA-N -1 3 363.320 4.307 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cccc2F)c(Br)c1 ZINC000479160042 1111957494 /nfs/dbraw/zinc/95/74/94/1111957494.db2.gz RBNZZCWIWKUKGG-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM Cc1ccc2c(c1)CN(C(=O)Nc1ccc(-c3cc(=O)[n-]c(C)n3)cc1)C2 ZINC000479604337 1112084277 /nfs/dbraw/zinc/08/42/77/1112084277.db2.gz SXINHEPQUAWVPP-UHFFFAOYSA-N -1 3 360.417 4.014 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c(F)c1 ZINC000480225290 1112338839 /nfs/dbraw/zinc/33/88/39/1112338839.db2.gz FZUSWUZNUYYUOJ-UHFFFAOYSA-N -1 3 365.760 4.226 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4ccc(C)cc4C)C3)nc2)n1 ZINC000480557070 1112476827 /nfs/dbraw/zinc/47/68/27/1112476827.db2.gz SDDYEBHBKBUOEE-GOSISDBHSA-N -1 3 374.488 4.417 20 0 FIADHM CC(C)OCc1c2ccccc2oc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156287354 1112479011 /nfs/dbraw/zinc/47/90/11/1112479011.db2.gz JPKRLCLPIACZPR-UHFFFAOYSA-N -1 3 357.381 4.133 20 0 FIADHM CO[C@](C)(c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1)C1CC1 ZINC000555011973 1112620660 /nfs/dbraw/zinc/62/06/60/1112620660.db2.gz OVAKQGAPGAOEKC-NRFANRHFSA-N -1 3 350.418 4.305 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000600118666 1112889992 /nfs/dbraw/zinc/88/99/92/1112889992.db2.gz UDAZBZWXKNPPSW-VHSXEESVSA-N -1 3 363.204 4.114 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(Cl)cc1 ZINC000481471336 1112953941 /nfs/dbraw/zinc/95/39/41/1112953941.db2.gz GSOQJWPLEMQOEN-UHFFFAOYSA-N -1 3 355.619 4.130 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nnc([C@@H](CC)c3ccccc3)s2)o1 ZINC000555937314 1113076474 /nfs/dbraw/zinc/07/64/74/1113076474.db2.gz JIPBIFRSVRKWHR-ZDUSSCGKSA-N -1 3 356.451 4.191 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nnc([C@H](CC)c3ccccc3)s2)o1 ZINC000555937312 1113076733 /nfs/dbraw/zinc/07/67/33/1113076733.db2.gz JIPBIFRSVRKWHR-CYBMUJFWSA-N -1 3 356.451 4.191 20 0 FIADHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2cccc(F)c2O1 ZINC000481850258 1113100802 /nfs/dbraw/zinc/10/08/02/1113100802.db2.gz VPMUXXIELDLLRI-NSHDSACASA-N -1 3 365.364 4.008 20 0 FIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000481856099 1113107087 /nfs/dbraw/zinc/10/70/87/1113107087.db2.gz NFZOTRYLWQMFKA-UHFFFAOYSA-N -1 3 373.808 4.153 20 0 FIADHM O=C(c1ccccc1[O-])N(Cc1csc(Br)c1)C1CC1 ZINC000157795711 1113119774 /nfs/dbraw/zinc/11/97/74/1113119774.db2.gz DBROZYFWAYFBBG-UHFFFAOYSA-N -1 3 352.253 4.021 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2F)co1)c1c(F)c(F)cc(F)c1F ZINC000482146634 1113189557 /nfs/dbraw/zinc/18/95/57/1113189557.db2.gz VQSVNKAOEIILFK-UHFFFAOYSA-N -1 3 354.234 4.289 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC2(CCCC2)CC1 ZINC000486423889 1113563854 /nfs/dbraw/zinc/56/38/54/1113563854.db2.gz KWWMZQCJRMMKTL-UHFFFAOYSA-N -1 3 367.287 4.021 20 0 FIADHM Cc1nc(Cl)ccc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907848474 1113584458 /nfs/dbraw/zinc/58/44/58/1113584458.db2.gz XUGUKPSHZDAQPP-UHFFFAOYSA-N -1 3 368.846 4.099 20 0 FIADHM CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000486625867 1113604686 /nfs/dbraw/zinc/60/46/86/1113604686.db2.gz KPHTZMMUHSVFSP-VXGBXAGGSA-N -1 3 369.303 4.263 20 0 FIADHM CN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCC(C)(C)CC1 ZINC000486643435 1113610413 /nfs/dbraw/zinc/61/04/13/1113610413.db2.gz DHJAFNJIDIMXCW-UHFFFAOYSA-N -1 3 369.303 4.265 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000908524381 1113659359 /nfs/dbraw/zinc/65/93/59/1113659359.db2.gz CELHIARTUQGNGL-LBPRGKRZSA-N -1 3 368.271 4.141 20 0 FIADHM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000910958954 1113924960 /nfs/dbraw/zinc/92/49/60/1113924960.db2.gz NVCULDAQDYPBTI-UHFFFAOYSA-N -1 3 366.461 4.185 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cc2ccccc2o1 ZINC000488918968 1114015483 /nfs/dbraw/zinc/01/54/83/1114015483.db2.gz NQODUWWXAFQKCC-SNVBAGLBSA-N -1 3 353.802 4.265 20 0 FIADHM CC(C)(C)c1nnc(CSc2nnc([N-]c3ccccc3F)s2)o1 ZINC000031840930 1114088568 /nfs/dbraw/zinc/08/85/68/1114088568.db2.gz MVCBBTZMDYYWTB-UHFFFAOYSA-N -1 3 365.459 4.394 20 0 FIADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1c(F)cccc1F ZINC000490055725 1114211239 /nfs/dbraw/zinc/21/12/39/1114211239.db2.gz BMYUGJKQOZZDHY-QMMMGPOBSA-N -1 3 356.166 4.175 20 0 FIADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1nc(C)c(-c2ccccc2)[n-]1 ZINC000490453165 1114289156 /nfs/dbraw/zinc/28/91/56/1114289156.db2.gz YDNXKOGFSVCXGQ-KRWDZBQOSA-N -1 3 358.438 4.449 20 0 FIADHM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1nc(-c2ccccc2)c(C)[n-]1 ZINC000490453165 1114289159 /nfs/dbraw/zinc/28/91/59/1114289159.db2.gz YDNXKOGFSVCXGQ-KRWDZBQOSA-N -1 3 358.438 4.449 20 0 FIADHM Cc1oc(-c2cccs2)nc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299903 1114322172 /nfs/dbraw/zinc/32/21/72/1114322172.db2.gz UQWGXDZNBRPQII-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM Cc1oc(-c2cccs2)nc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299903 1114322175 /nfs/dbraw/zinc/32/21/75/1114322175.db2.gz UQWGXDZNBRPQII-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc(-c2ccco2)[n-]n1 ZINC000913300100 1114322456 /nfs/dbraw/zinc/32/24/56/1114322456.db2.gz ZLFBUQRQWBZCCD-UHFFFAOYSA-N -1 3 369.764 4.335 20 0 FIADHM O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cc(-c2ccco2)n[n-]1 ZINC000913300100 1114322461 /nfs/dbraw/zinc/32/24/61/1114322461.db2.gz ZLFBUQRQWBZCCD-UHFFFAOYSA-N -1 3 369.764 4.335 20 0 FIADHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1c(Cl)cccc1Cl ZINC000586749706 1114387768 /nfs/dbraw/zinc/38/77/68/1114387768.db2.gz ITSLBAXYYXRWNL-MRVPVSSYSA-N -1 3 351.193 4.114 20 0 FIADHM C[C@H](C(=O)Nc1cccc(NCc2c([O-])cccc2Cl)c1)n1cccn1 ZINC000156379285 1114425661 /nfs/dbraw/zinc/42/56/61/1114425661.db2.gz OOFOXRMBHBCLQN-CYBMUJFWSA-N -1 3 370.840 4.054 20 0 FIADHM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000571177568 1114436833 /nfs/dbraw/zinc/43/68/33/1114436833.db2.gz NSBILJCEJUHFRP-INIZCTEOSA-N -1 3 373.456 4.463 20 0 FIADHM C[C@@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000571529686 1114479154 /nfs/dbraw/zinc/47/91/54/1114479154.db2.gz STGFIYVITLYXEU-QGZVFWFLSA-N -1 3 350.871 4.150 20 0 FIADHM CCc1nc2cc(NCc3cc(=O)oc4c(C)c([O-])ccc34)ccc2o1 ZINC000056201059 1114659663 /nfs/dbraw/zinc/65/96/63/1114659663.db2.gz XYVJNQBNCURZCO-UHFFFAOYSA-N -1 3 350.374 4.123 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2cccc3ccccc32)n1 ZINC000588916204 1114673458 /nfs/dbraw/zinc/67/34/58/1114673458.db2.gz GEJCUAJAVSTHIT-ZDUSSCGKSA-N -1 3 367.474 4.158 20 0 FIADHM CSc1nc(NC(=O)c2ccc(SCc3ccccc3)cc2)n[n-]1 ZINC000589691833 1114828248 /nfs/dbraw/zinc/82/82/48/1114828248.db2.gz FXHNTUIKWZHWSU-UHFFFAOYSA-N -1 3 356.476 4.071 20 0 FIADHM CCC(CC)N(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CC1 ZINC000591400760 1115078365 /nfs/dbraw/zinc/07/83/65/1115078365.db2.gz QVKYDGGSMDRSPO-UHFFFAOYSA-N -1 3 354.454 4.343 20 0 FIADHM CC(C)[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000573259413 1115087447 /nfs/dbraw/zinc/08/74/47/1115087447.db2.gz WNFGWVLFDCUUNQ-WBMJQRKESA-N -1 3 372.278 4.472 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3c(F)cccc3Cl)nc2)n1 ZINC000591651141 1115119453 /nfs/dbraw/zinc/11/94/53/1115119453.db2.gz KBIYTCFDKGRWFH-UHFFFAOYSA-N -1 3 372.831 4.236 20 0 FIADHM CC(C)N(Cc1ccccc1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058204804 1115139199 /nfs/dbraw/zinc/13/91/99/1115139199.db2.gz DYMWZKSXZUSJSQ-UHFFFAOYSA-N -1 3 358.536 4.461 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C1CC1)C1CCC(C)CC1 ZINC000574212519 1115294850 /nfs/dbraw/zinc/29/48/50/1115294850.db2.gz AEYQFCDYVXVRSW-UHFFFAOYSA-N -1 3 355.482 4.298 20 0 FIADHM O=C(OCc1c(Cl)ccc2cccnc21)c1cc(-c2ccco2)[n-]n1 ZINC000058679911 1115307734 /nfs/dbraw/zinc/30/77/34/1115307734.db2.gz GZBBGXZODGQYPN-UHFFFAOYSA-N -1 3 353.765 4.228 20 0 FIADHM O=C(OCc1c(Cl)ccc2cccnc21)c1cc(-c2ccco2)n[n-]1 ZINC000058679911 1115307741 /nfs/dbraw/zinc/30/77/41/1115307741.db2.gz GZBBGXZODGQYPN-UHFFFAOYSA-N -1 3 353.765 4.228 20 0 FIADHM CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1c([O-])cccc1Cl ZINC000574305335 1115344831 /nfs/dbraw/zinc/34/48/31/1115344831.db2.gz JLXGJPSWVJRBGH-UHFFFAOYSA-N -1 3 371.824 4.272 20 0 FIADHM CN(Cc1c(Cl)cccc1C(=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000574332243 1115347697 /nfs/dbraw/zinc/34/76/97/1115347697.db2.gz QQDSBCWZQBAYEX-INIZCTEOSA-N -1 3 358.869 4.139 20 0 FIADHM O=C(Nc1n[nH]c(-c2cccc3ccccc32)n1)c1cc([O-])ccc1Cl ZINC000574865873 1115514959 /nfs/dbraw/zinc/51/49/59/1115514959.db2.gz CJCPMMQKZDKARD-UHFFFAOYSA-N -1 3 364.792 4.236 20 0 FIADHM O=c1[n-]c(S[C@@H]2C=CCCC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000595154613 1115518093 /nfs/dbraw/zinc/51/80/93/1115518093.db2.gz PEDPLKXEVAAMCN-CYBMUJFWSA-N -1 3 358.854 4.375 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]1CCC[C@@H](C)C1 ZINC001212177519 1115531581 /nfs/dbraw/zinc/53/15/81/1115531581.db2.gz PQIAAJHJQGFUAO-GRYCIOLGSA-N -1 3 367.408 4.338 20 0 FIADHM Cc1nc(CC(C)C)sc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000595686823 1115557004 /nfs/dbraw/zinc/55/70/04/1115557004.db2.gz NHIHBHPVEAPIKJ-UHFFFAOYSA-N -1 3 354.479 4.023 20 0 FIADHM O=S(=O)([N-]CCCc1cccc(F)c1)c1cccc(Cl)c1Cl ZINC000598018117 1115702056 /nfs/dbraw/zinc/70/20/56/1115702056.db2.gz ISXCXBKIAXLWEG-UHFFFAOYSA-N -1 3 362.253 4.044 20 0 FIADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1C ZINC000605497606 1115904681 /nfs/dbraw/zinc/90/46/81/1115904681.db2.gz HGQBNBBYCRZEMP-UHFFFAOYSA-N -1 3 374.506 4.187 20 0 FIADHM CCOc1cc([N-]S(=O)(=O)c2c(CC)cccc2CC)ccc1OC ZINC000605497059 1115904733 /nfs/dbraw/zinc/90/47/33/1115904733.db2.gz AZRPFEMDMLZCJY-UHFFFAOYSA-N -1 3 363.479 4.020 20 0 FIADHM Cc1ccc2c(c1)N(C(=O)c1cc(OCc3ccccc3)ccc1[O-])CC2 ZINC000606531642 1115953566 /nfs/dbraw/zinc/95/35/66/1115953566.db2.gz MFKDVHVARVTQJY-UHFFFAOYSA-N -1 3 359.425 4.483 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000606537230 1115953976 /nfs/dbraw/zinc/95/39/76/1115953976.db2.gz FSOSPTJYUASRMN-OLZOCXBDSA-N -1 3 354.208 4.258 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1SCc1ccco1 ZINC000606537049 1115953979 /nfs/dbraw/zinc/95/39/79/1115953979.db2.gz ABGNTPBKDZUQCJ-UHFFFAOYSA-N -1 3 357.406 4.347 20 0 FIADHM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606650605 1115960879 /nfs/dbraw/zinc/96/08/79/1115960879.db2.gz SDKKEFINRVUDPZ-AWEZNQCLSA-N -1 3 374.456 4.096 20 0 FIADHM CC(C)=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000063304988 1116044285 /nfs/dbraw/zinc/04/42/85/1116044285.db2.gz ZXKDDBQIWMKPKN-UHFFFAOYSA-N -1 3 358.463 4.009 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3sccc3OC(F)F)[nH][n-]2)c1 ZINC000607720749 1116059451 /nfs/dbraw/zinc/05/94/51/1116059451.db2.gz CDMDFKVHLVVISQ-UHFFFAOYSA-N -1 3 363.389 4.031 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1OCC ZINC000607880385 1116069108 /nfs/dbraw/zinc/06/91/08/1116069108.db2.gz NRVHKTJDFLCLHB-UHFFFAOYSA-N -1 3 367.442 4.041 20 0 FIADHM O=C([N-]c1nc2c(s1)CCCCCC2)c1noc(-c2cccc(F)c2)n1 ZINC000608010626 1116078157 /nfs/dbraw/zinc/07/81/57/1116078157.db2.gz MMOUYASPRDPBRZ-UHFFFAOYSA-N -1 3 372.425 4.244 20 0 FIADHM COc1ccc(SCCC(=O)Nc2ccc(Cl)cc2[O-])cc1OC ZINC000533970825 1116089579 /nfs/dbraw/zinc/08/95/79/1116089579.db2.gz VWWAYMCEOZOHSF-UHFFFAOYSA-N -1 3 367.854 4.184 20 0 FIADHM CCc1cc2c(CN[C@@](C)(CC)c3nc(C)cs3)cc(=O)oc2cc1[O-] ZINC000173944221 1116100970 /nfs/dbraw/zinc/10/09/70/1116100970.db2.gz SBOXRVMWKWEADE-FQEVSTJZSA-N -1 3 372.490 4.241 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1cc2cccc(F)c2o1 ZINC000608359962 1116101905 /nfs/dbraw/zinc/10/19/05/1116101905.db2.gz SBFJRZSZCLJCBR-UHFFFAOYSA-N -1 3 356.744 4.263 20 0 FIADHM Cc1nc(C)c(CCC(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)c(=O)[n-]1 ZINC000534001275 1116144144 /nfs/dbraw/zinc/14/41/44/1116144144.db2.gz UDYIBDZEDZMCPT-UHFFFAOYSA-N -1 3 367.493 4.329 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2sc([C@H](C)OC)nc2C)c1F ZINC000534037731 1116148859 /nfs/dbraw/zinc/14/88/59/1116148859.db2.gz RUDHTLLWUMAADP-VIFPVBQESA-N -1 3 356.394 4.088 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000456819777 1116220295 /nfs/dbraw/zinc/22/02/95/1116220295.db2.gz ADAUOVIOCDXRRD-GOSISDBHSA-N -1 3 363.379 4.496 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3Cc4ccccc4C(C)(C)C3)nc2)n1 ZINC000534630036 1116221043 /nfs/dbraw/zinc/22/10/43/1116221043.db2.gz CIISQGSNWZOARX-UHFFFAOYSA-N -1 3 360.461 4.104 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1OCc1ccncc1 ZINC000534729021 1116230576 /nfs/dbraw/zinc/23/05/76/1116230576.db2.gz LXCQBQDKTKPCOC-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c1 ZINC000535107933 1116268557 /nfs/dbraw/zinc/26/85/57/1116268557.db2.gz VGLFEEFUHWCRTH-GOSISDBHSA-N -1 3 358.413 4.007 20 0 FIADHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)on1 ZINC000462397002 1116345367 /nfs/dbraw/zinc/34/53/67/1116345367.db2.gz KYFAQSGGFUHNEY-UHFFFAOYSA-N -1 3 356.875 4.019 20 0 FIADHM O=c1[n-]nc(SCc2cnc3ccccc3c2)n1CCc1ccccc1 ZINC000539669661 1116363745 /nfs/dbraw/zinc/36/37/45/1116363745.db2.gz ZKDIDACVVQGIIZ-UHFFFAOYSA-N -1 3 362.458 4.067 20 0 FIADHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000462698634 1116392218 /nfs/dbraw/zinc/39/22/18/1116392218.db2.gz CUURIHOUXJOUFY-LBPRGKRZSA-N -1 3 374.289 4.048 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000462687385 1116393006 /nfs/dbraw/zinc/39/30/06/1116393006.db2.gz YVQUFLXDOYORPV-UHFFFAOYSA-N -1 3 369.364 4.296 20 0 FIADHM COc1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)cc(OC)c1[O-] ZINC000463062965 1117947850 /nfs/dbraw/zinc/94/78/50/1117947850.db2.gz ZRTOCNMEIKROPY-OXJNMPFZSA-N -1 3 369.461 4.099 20 0 FIADHM O=c1[n-]c(-c2ncccn2)nc2ccc(Oc3ccc(Cl)cc3)cc21 ZINC000463225324 1118035380 /nfs/dbraw/zinc/03/53/80/1118035380.db2.gz HJPPYSLIBLRGDV-UHFFFAOYSA-N -1 3 350.765 4.238 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(SC)ccc2C)c(C)c1 ZINC000540497571 1118094168 /nfs/dbraw/zinc/09/41/68/1118094168.db2.gz WKUZCWIUYVTLRX-UHFFFAOYSA-N -1 3 351.493 4.143 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)[n-]n1 ZINC000540848041 1118274921 /nfs/dbraw/zinc/27/49/21/1118274921.db2.gz RGCYMJKKSLEKQS-UHFFFAOYSA-N -1 3 373.409 4.015 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)n[n-]1 ZINC000540848041 1118274925 /nfs/dbraw/zinc/27/49/25/1118274925.db2.gz RGCYMJKKSLEKQS-UHFFFAOYSA-N -1 3 373.409 4.015 20 0 FIADHM O=C1CC[C@@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)c3cccc1c32 ZINC000464628526 1118629034 /nfs/dbraw/zinc/62/90/34/1118629034.db2.gz PYZNISRVPNSTFK-GFCCVEGCSA-N -1 3 371.396 4.162 20 0 FIADHM O=C(Nc1cccc(Cl)c1SCC(F)F)c1cccc2n[n-]nc21 ZINC000541891829 1118690426 /nfs/dbraw/zinc/69/04/26/1118690426.db2.gz RHBZQPYBMMFJNQ-UHFFFAOYSA-N -1 3 368.796 4.221 20 0 FIADHM CC(C)c1c(C(=O)Nc2ncccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000542166721 1118821794 /nfs/dbraw/zinc/82/17/94/1118821794.db2.gz VIAZQFPRYZJYDP-UHFFFAOYSA-N -1 3 356.813 4.002 20 0 FIADHM O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)Nc1ncccc1[O-] ZINC000542167804 1118822268 /nfs/dbraw/zinc/82/22/68/1118822268.db2.gz FSUPHQFQKNZNHQ-UHFFFAOYSA-N -1 3 353.205 4.086 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000646677876 1119000865 /nfs/dbraw/zinc/00/08/65/1119000865.db2.gz NFCBYWBURWLNGB-UHFFFAOYSA-N -1 3 369.770 4.379 20 0 FIADHM COc1cccc([O-])c1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001626007730 1119191156 /nfs/dbraw/zinc/19/11/56/1119191156.db2.gz WOGGGAHOPSTPGI-UHFFFAOYSA-N -1 3 368.260 4.415 20 0 FIADHM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1ncncc1Cl ZINC000176668223 1119288259 /nfs/dbraw/zinc/28/82/59/1119288259.db2.gz VTSYUXXSCNMELR-UHFFFAOYSA-N -1 3 364.204 4.393 20 0 FIADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000177741980 1119348593 /nfs/dbraw/zinc/34/85/93/1119348593.db2.gz JJEWAFZLAFARMA-RYUDHWBXSA-N -1 3 361.898 4.262 20 0 FIADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000177741964 1119348614 /nfs/dbraw/zinc/34/86/14/1119348614.db2.gz JJEWAFZLAFARMA-NEPJUHHUSA-N -1 3 361.898 4.262 20 0 FIADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000177741949 1119348840 /nfs/dbraw/zinc/34/88/40/1119348840.db2.gz JJEWAFZLAFARMA-NWDGAFQWSA-N -1 3 361.898 4.262 20 0 FIADHM O=C(NCc1ccccc1)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000185612340 1119676153 /nfs/dbraw/zinc/67/61/53/1119676153.db2.gz FDXDFHPDPKJYMZ-UHFFFAOYSA-N -1 3 350.393 4.073 20 0 FIADHM CCSCc1cc(C(=O)[N-]c2c(SC)cnn2-c2ccccc2)no1 ZINC000186364827 1119724161 /nfs/dbraw/zinc/72/41/61/1119724161.db2.gz QLQRNWIQDKJFHS-UHFFFAOYSA-N -1 3 374.491 4.088 20 0 FIADHM COc1ccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c([O-])c1 ZINC000220046885 1119734205 /nfs/dbraw/zinc/73/42/05/1119734205.db2.gz RERFTCVYQVCYAB-UHFFFAOYSA-N -1 3 365.351 4.224 20 0 FIADHM O=S(=O)(Cc1nc(-c2ccccc2Cl)cs1)c1cccc([O-])c1 ZINC000187440663 1119783673 /nfs/dbraw/zinc/78/36/73/1119783673.db2.gz BRPFOMGMJLOYAR-UHFFFAOYSA-N -1 3 365.863 4.143 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(CC(F)(F)F)cc1 ZINC000189234306 1119869649 /nfs/dbraw/zinc/86/96/49/1119869649.db2.gz ANCYOCYJPKMPMP-UHFFFAOYSA-N -1 3 367.751 4.385 20 0 FIADHM Cc1ccccc1-n1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1C(C)C ZINC000189555476 1119904723 /nfs/dbraw/zinc/90/47/23/1119904723.db2.gz JXINZBWHILQTQL-UHFFFAOYSA-N -1 3 367.424 4.079 20 0 FIADHM CCS[C@@H]1CCCCN(Cn2c(Cc3cccs3)n[n-]c2=S)C1 ZINC000153115438 1119993367 /nfs/dbraw/zinc/99/33/67/1119993367.db2.gz SPMCGXYSSLXXLI-CQSZACIVSA-N -1 3 368.597 4.158 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c([O-])c1 ZINC000025022307 1120359056 /nfs/dbraw/zinc/35/90/56/1120359056.db2.gz SXXKQHNIPULHGO-AWEZNQCLSA-N -1 3 352.459 4.330 20 0 FIADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Br)ccc1Cl ZINC000229018697 1120460486 /nfs/dbraw/zinc/46/04/86/1120460486.db2.gz RACAZXOKEVTFHJ-ONERCXAPSA-N -1 3 372.690 4.320 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000053461114 1120573201 /nfs/dbraw/zinc/57/32/01/1120573201.db2.gz RZIHLZSOOIAJQV-LLVKDONJSA-N -1 3 360.335 4.038 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N(C)c1ccccc1 ZINC000914891382 1120628811 /nfs/dbraw/zinc/62/88/11/1120628811.db2.gz JQJJYOINHSFGBD-INIZCTEOSA-N -1 3 356.447 4.074 20 0 FIADHM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914892019 1120629594 /nfs/dbraw/zinc/62/95/94/1120629594.db2.gz XUOGBGHQSHGVLX-AWEZNQCLSA-N -1 3 370.474 4.212 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N(C)C1CCCCC1 ZINC000914891837 1120630206 /nfs/dbraw/zinc/63/02/06/1120630206.db2.gz OXDQDORNRULTLM-INIZCTEOSA-N -1 3 362.495 4.202 20 0 FIADHM Cc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)c(Br)c1 ZINC000762316562 1120868070 /nfs/dbraw/zinc/86/80/70/1120868070.db2.gz GPIHLBUMOGYJDZ-BQYQJAHWSA-N -1 3 350.187 4.254 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc(-c2ccccn2)nc2ccccc21 ZINC000762317506 1120871027 /nfs/dbraw/zinc/87/10/27/1120871027.db2.gz PKJINUPKMDWOGF-UHFFFAOYSA-N -1 3 359.360 4.394 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cnc1Cl ZINC000762587318 1120935331 /nfs/dbraw/zinc/93/53/31/1120935331.db2.gz JFJPOGBLYHHNMN-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM O=C(Nc1cc(Br)c(F)cc1F)c1cc([O-])ccc1Cl ZINC000236557131 1120966486 /nfs/dbraw/zinc/96/64/86/1120966486.db2.gz BKBWXZWDHMDZRQ-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM CCN(Cc1cccc(F)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000028728526 1121023953 /nfs/dbraw/zinc/02/39/53/1121023953.db2.gz KFRVKJHJICIBOU-UHFFFAOYSA-N -1 3 351.381 4.243 20 0 FIADHM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C)c1 ZINC000671669429 1121034355 /nfs/dbraw/zinc/03/43/55/1121034355.db2.gz ARJVQGSZFBQOOT-UHFFFAOYSA-N -1 3 374.506 4.185 20 0 FIADHM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471870586 1121112624 /nfs/dbraw/zinc/11/26/24/1121112624.db2.gz NCTVWFXCCRFGMH-LBPRGKRZSA-N -1 3 357.356 4.021 20 0 FIADHM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2cccc(Cl)c2)n1 ZINC000104907225 1121174567 /nfs/dbraw/zinc/17/45/67/1121174567.db2.gz FKNOPRFIKGVMDS-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM CCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 ZINC000025742747 1121230168 /nfs/dbraw/zinc/23/01/68/1121230168.db2.gz FOWDPYKDPXHDPZ-UHFFFAOYSA-N -1 3 374.506 4.425 20 0 FIADHM C[C@]1(c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CCCO1 ZINC000763336688 1121339860 /nfs/dbraw/zinc/33/98/60/1121339860.db2.gz XIYCXEIURNNQBA-HXUWFJFHSA-N -1 3 352.390 4.047 20 0 FIADHM Cc1ccc([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2(C)C)cc1 ZINC000916043014 1121390640 /nfs/dbraw/zinc/39/06/40/1121390640.db2.gz RGGWQFAGLMNASM-GOSISDBHSA-N -1 3 360.457 4.245 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(COC(C)C)c3)c[n-]c12 ZINC000123340858 1121442227 /nfs/dbraw/zinc/44/22/27/1121442227.db2.gz BFVHDWBHNWOUBW-UHFFFAOYSA-N -1 3 368.408 4.153 20 0 FIADHM O=C([N-][C@@H](c1ccccc1)c1ccncc1)C(F)(F)c1ccccc1F ZINC000765768576 1121567499 /nfs/dbraw/zinc/56/74/99/1121567499.db2.gz APBQDJGSSIMXJZ-SFHVURJKSA-N -1 3 356.347 4.218 20 0 FIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1 ZINC000064467713 1121614568 /nfs/dbraw/zinc/61/45/68/1121614568.db2.gz MJIHLVOMUDSABX-UHFFFAOYSA-N -1 3 360.479 4.133 20 0 FIADHM O=C(Nc1ncccc1[O-])c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000066042405 1121735187 /nfs/dbraw/zinc/73/51/87/1121735187.db2.gz HTBGAAYTGWERQT-UHFFFAOYSA-N -1 3 366.229 4.470 20 0 FIADHM CC(C)(C)c1noc(CCCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000125262720 1121763418 /nfs/dbraw/zinc/76/34/18/1121763418.db2.gz JTMBYLVNSPWRCH-UHFFFAOYSA-N -1 3 371.359 4.053 20 0 FIADHM CCN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCCCC1 ZINC000126100789 1121919849 /nfs/dbraw/zinc/91/98/49/1121919849.db2.gz UTMUEONPSPHPQF-UHFFFAOYSA-N -1 3 355.276 4.019 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)c([O-])c1 ZINC000671821428 1122035054 /nfs/dbraw/zinc/03/50/54/1122035054.db2.gz QAOIVABMRHZARK-IBGZPJMESA-N -1 3 367.493 4.105 20 0 FIADHM CC(C)c1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1ccccn1 ZINC000067138991 1122135516 /nfs/dbraw/zinc/13/55/16/1122135516.db2.gz GBCUXQSVSMPREJ-UHFFFAOYSA-N -1 3 356.813 4.002 20 0 FIADHM CC(C)OCc1c2ccccc2oc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000067524412 1122169540 /nfs/dbraw/zinc/16/95/40/1122169540.db2.gz VTXLNCLEEFDUDX-UHFFFAOYSA-N -1 3 367.377 4.399 20 0 FIADHM COc1ccc(-c2csc3[n-]c(COc4ccccc4)nc(=O)c23)cc1 ZINC000054753297 1122196356 /nfs/dbraw/zinc/19/63/56/1122196356.db2.gz LBRDBLRWMMPALY-UHFFFAOYSA-N -1 3 364.426 4.239 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)s1 ZINC000056127844 1122294028 /nfs/dbraw/zinc/29/40/28/1122294028.db2.gz GIJZWBWXVQSSCT-ZDUSSCGKSA-N -1 3 363.426 4.283 20 0 FIADHM O=C(CN(Cc1ccccc1)c1ccccc1)Nc1cccc([O-])c1F ZINC000128453647 1122301334 /nfs/dbraw/zinc/30/13/34/1122301334.db2.gz LNHUSIKANJHBMD-UHFFFAOYSA-N -1 3 350.393 4.177 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000128674933 1122372524 /nfs/dbraw/zinc/37/25/24/1122372524.db2.gz GQIBBJXAIKCAQL-QWRGUYRKSA-N -1 3 355.287 4.172 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1F ZINC000917729499 1122419644 /nfs/dbraw/zinc/41/96/44/1122419644.db2.gz ICGSSPSUGZPSLR-UHFFFAOYSA-N -1 3 362.470 4.171 20 0 FIADHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000497942770 1122483343 /nfs/dbraw/zinc/48/33/43/1122483343.db2.gz XKSWOUFWEQLYIE-UHFFFAOYSA-N -1 3 358.463 4.394 20 0 FIADHM COC(=O)c1ccc(C(=O)[N-]c2cc(C)ccc2SCC(F)(F)F)o1 ZINC000129252939 1122561220 /nfs/dbraw/zinc/56/12/20/1122561220.db2.gz ULYHMAHWWWHBSK-UHFFFAOYSA-N -1 3 373.352 4.281 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000129347053 1122572427 /nfs/dbraw/zinc/57/24/27/1122572427.db2.gz KLXPWGZGHVMMBI-OAQYLSRUSA-N -1 3 362.404 4.274 20 0 FIADHM CCn1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC000129494667 1122615501 /nfs/dbraw/zinc/61/55/01/1122615501.db2.gz JNMMIYYAJYTYRZ-UHFFFAOYSA-N -1 3 364.430 4.138 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2ccccc2CSCC)c([O-])c1 ZINC000556063266 1122634863 /nfs/dbraw/zinc/63/48/63/1122634863.db2.gz QMOSFSUVAAGRIE-UHFFFAOYSA-N -1 3 359.447 4.074 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(Br)s3)n[n-]2)o1 ZINC000918509038 1122674272 /nfs/dbraw/zinc/67/42/72/1122674272.db2.gz AWROXQMRGFBGFF-UHFFFAOYSA-N -1 3 367.224 4.159 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(Br)s3)[n-]n2)o1 ZINC000918509038 1122674274 /nfs/dbraw/zinc/67/42/74/1122674274.db2.gz AWROXQMRGFBGFF-UHFFFAOYSA-N -1 3 367.224 4.159 20 0 FIADHM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000498283126 1122681080 /nfs/dbraw/zinc/68/10/80/1122681080.db2.gz PEGHGVGFQKQUAS-HWPZZCPQSA-N -1 3 354.233 4.205 20 0 FIADHM CCOc1ccc(-c2nc3cc(OC)cc(OC)c3c(=O)[n-]2)cc1Cl ZINC000556417423 1122885695 /nfs/dbraw/zinc/88/56/95/1122885695.db2.gz BXQWPKGEYROPGQ-UHFFFAOYSA-N -1 3 360.797 4.072 20 0 FIADHM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cc([O-])ccc2Cl)no1 ZINC000498597884 1122900001 /nfs/dbraw/zinc/90/00/01/1122900001.db2.gz NHUYCXVKVGOFQG-OAHLLOKOSA-N -1 3 363.845 4.310 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4ccc(F)cc4)n3)n[n-]2)o1 ZINC000919328480 1122952790 /nfs/dbraw/zinc/95/27/90/1122952790.db2.gz PFWRXXYEYXCBSP-UHFFFAOYSA-N -1 3 367.336 4.129 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3coc(-c4ccc(F)cc4)n3)[n-]n2)o1 ZINC000919328480 1122952792 /nfs/dbraw/zinc/95/27/92/1122952792.db2.gz PFWRXXYEYXCBSP-UHFFFAOYSA-N -1 3 367.336 4.129 20 0 FIADHM CC(=O)c1cccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)c1[O-] ZINC000556893036 1123170460 /nfs/dbraw/zinc/17/04/60/1123170460.db2.gz PGCZWXVPRJPKOM-UHFFFAOYSA-N -1 3 363.335 4.284 20 0 FIADHM Cc1sc2[n-]c(-c3cccc(F)n3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000155142627 1123287429 /nfs/dbraw/zinc/28/74/29/1123287429.db2.gz PZJLDWLNVLRXQB-UHFFFAOYSA-N -1 3 351.406 4.470 20 0 FIADHM COc1cc(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000132792467 1123361169 /nfs/dbraw/zinc/36/11/69/1123361169.db2.gz BENMMWAUBVSZJF-KRWDZBQOSA-N -1 3 355.434 4.085 20 0 FIADHM CCOc1cc(CNc2ccc(OCCOC)c(F)c2)cc(Cl)c1[O-] ZINC000920182118 1123398970 /nfs/dbraw/zinc/39/89/70/1123398970.db2.gz GMMOEMVZBPYOKA-UHFFFAOYSA-N -1 3 369.820 4.221 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3cnc(C(C)C)s3)s2)cc1 ZINC000133079986 1123411839 /nfs/dbraw/zinc/41/18/39/1123411839.db2.gz MULHLHGIYVLPFC-UHFFFAOYSA-N -1 3 358.492 4.270 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc4c3CCC4)nc(=O)c2c1C ZINC000920677882 1123500037 /nfs/dbraw/zinc/50/00/37/1123500037.db2.gz MBUBMGNYGSNSRI-LLVKDONJSA-N -1 3 368.458 4.420 20 0 FIADHM O=C([N-]Cc1cc(Br)cs1)C(F)(F)c1ccc(F)cc1 ZINC000920845818 1123528755 /nfs/dbraw/zinc/52/87/55/1123528755.db2.gz JDSTXLIKGARAIF-UHFFFAOYSA-N -1 3 364.186 4.058 20 0 FIADHM COc1ccc(-c2cnc(COC(=O)c3cc4ccsc4[n-]3)o2)cc1 ZINC000920890782 1123530513 /nfs/dbraw/zinc/53/05/13/1123530513.db2.gz VCOSAQDBSLTJBV-UHFFFAOYSA-N -1 3 354.387 4.250 20 0 FIADHM COc1cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)cc(OC)c1[O-] ZINC000134361006 1123630890 /nfs/dbraw/zinc/63/08/90/1123630890.db2.gz NUKQMTFWIKAIOK-SFHVURJKSA-N -1 3 369.461 4.037 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3cnc(C(C)(C)C)s3)s2)cc1 ZINC000136307522 1123875087 /nfs/dbraw/zinc/87/50/87/1123875087.db2.gz DPITWAFXBFFKGI-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cccc(Cl)c1Cl ZINC000615237738 1123958658 /nfs/dbraw/zinc/95/86/58/1123958658.db2.gz KYSJANVFFSFHBP-UHFFFAOYSA-N -1 3 356.230 4.218 20 0 FIADHM COc1ccc(C(=O)C2CCN(Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000179653961 1124025503 /nfs/dbraw/zinc/02/55/03/1124025503.db2.gz KKGGOLXWLBKHAW-UHFFFAOYSA-N -1 3 359.853 4.149 20 0 FIADHM COc1ccc(OC2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000615756362 1124114919 /nfs/dbraw/zinc/11/49/19/1124114919.db2.gz ORPNATFMOPYBDI-UHFFFAOYSA-N -1 3 369.461 4.208 20 0 FIADHM CC(C)c1nc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)cs1 ZINC000108208649 1124259797 /nfs/dbraw/zinc/25/97/97/1124259797.db2.gz ZZIPZUVTKPUAQA-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616327807 1124288558 /nfs/dbraw/zinc/28/85/58/1124288558.db2.gz CCJUZKXBQZEXEE-LAUBAEHRSA-N -1 3 360.457 4.327 20 0 FIADHM CC(C)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1F ZINC000542917817 1124846368 /nfs/dbraw/zinc/84/63/68/1124846368.db2.gz QDMICLJHQZUURA-LJQANCHMSA-N -1 3 372.827 4.448 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000064343164 1124990313 /nfs/dbraw/zinc/99/03/13/1124990313.db2.gz BSUVTQYHFKTQCM-UHFFFAOYSA-N -1 3 361.445 4.295 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(Br)c1 ZINC000016147291 220179992 /nfs/dbraw/zinc/17/99/92/220179992.db2.gz JTIDVYMJUXIFDH-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(Br)cc1 ZINC000016100675 220178304 /nfs/dbraw/zinc/17/83/04/220178304.db2.gz QAYZLZQYFYTZET-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911371 221145509 /nfs/dbraw/zinc/14/55/09/221145509.db2.gz FRANLHDBVVFPHU-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2cccs2)CCCC3)on1 ZINC000105520179 222369889 /nfs/dbraw/zinc/36/98/89/222369889.db2.gz AREGMPAMNQKXFA-UHFFFAOYSA-N -1 3 372.471 4.468 20 0 FIADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 ZINC000603502420 568108999 /nfs/dbraw/zinc/10/89/99/568108999.db2.gz KXCVXAPOFXPTJK-ZYHUDNBSSA-N -1 3 374.289 4.329 20 0 FIADHM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)s1 ZINC000603563055 568118742 /nfs/dbraw/zinc/11/87/42/568118742.db2.gz GEHAYXVQTSJXHR-UHFFFAOYSA-N -1 3 368.462 4.286 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3ccc(-c4ccccc4F)o3)n[nH]2)cc1 ZINC000603629820 568127805 /nfs/dbraw/zinc/12/78/05/568127805.db2.gz BSVGJEUSQZFOMM-UHFFFAOYSA-N -1 3 362.364 4.432 20 0 FIADHM Clc1ccc2cccnc2c1CSc1n[n-]c(-c2ccccn2)n1 ZINC000604932386 568395034 /nfs/dbraw/zinc/39/50/34/568395034.db2.gz IKMKNFWZBWMNIW-UHFFFAOYSA-N -1 3 353.838 4.361 20 0 FIADHM CCSCc1ccccc1C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000619211673 1125532296 /nfs/dbraw/zinc/53/22/96/1125532296.db2.gz BKMLFODWULMQRF-UHFFFAOYSA-N -1 3 367.474 4.013 20 0 FIADHM O=C(C/C=C\c1ccc(F)cc1)NCc1ccc([O-])c(Br)c1 ZINC000254973500 1125606088 /nfs/dbraw/zinc/60/60/88/1125606088.db2.gz ALTDHPBJOZGZQX-UPHRSURJSA-N -1 3 364.214 4.014 20 0 FIADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(Cl)n2)cc1 ZINC000182783170 1125624357 /nfs/dbraw/zinc/62/43/57/1125624357.db2.gz GRKLKCOJLNYLCZ-WFASDCNBSA-N -1 3 355.825 4.210 20 0 FIADHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc(Cl)n1 ZINC000182779928 1125624680 /nfs/dbraw/zinc/62/46/80/1125624680.db2.gz MBDQTAPUSPIDEA-LLVKDONJSA-N -1 3 368.607 4.003 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(C(F)(F)F)ccc1F ZINC000471140003 1079831579 /nfs/dbraw/zinc/83/15/79/1079831579.db2.gz OCRFPGBCQIBQPU-UHFFFAOYSA-N -1 3 357.288 4.208 20 0 FIADHM CCOCCOCc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000109190723 1080112934 /nfs/dbraw/zinc/11/29/34/1080112934.db2.gz VRPKUUVLVDNMJS-UHFFFAOYSA-N -1 3 369.461 4.076 20 0 FIADHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cc(Cl)c1[O-] ZINC000069267633 1080144227 /nfs/dbraw/zinc/14/42/27/1080144227.db2.gz IXAQXLFNZWMLNS-GOSISDBHSA-N -1 3 360.841 4.277 20 0 FIADHM CCOC(=O)C(=Cc1ccccc1F)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000255049798 1080651820 /nfs/dbraw/zinc/65/18/20/1080651820.db2.gz VFXZPSUGLKFUNB-LCYFTJDESA-N -1 3 372.421 4.257 20 0 FIADHM Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(Cl)cc3[O-])c2)n1 ZINC000153698789 1080728000 /nfs/dbraw/zinc/72/80/00/1080728000.db2.gz ICFZYBOXCRKOIS-UHFFFAOYSA-N -1 3 355.825 4.160 20 0 FIADHM CCCCCc1nnc([N-]C(=O)c2sc(C)cc2OC(F)F)s1 ZINC000510179356 1080739634 /nfs/dbraw/zinc/73/96/34/1080739634.db2.gz GCMFCBBEKCWGQT-UHFFFAOYSA-N -1 3 361.439 4.494 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(OCc2cccnc2)c1 ZINC000067145561 1080751848 /nfs/dbraw/zinc/75/18/48/1080751848.db2.gz DNVYQKQSDKRIJA-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4sccc4c3)cc2)n1 ZINC000471353958 1081004456 /nfs/dbraw/zinc/00/44/56/1081004456.db2.gz PVPNNOHZIVKVIH-UHFFFAOYSA-N -1 3 361.426 4.212 20 0 FIADHM Nc1c(F)cccc1N(c1cccc(Cl)c1[O-])[C@H]1CC[C@H](O)CC1 ZINC001210223529 1081201485 /nfs/dbraw/zinc/20/14/85/1081201485.db2.gz RNTYVUKAYIHSGI-HAQNSBGRSA-N -1 3 350.821 4.209 20 0 FIADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3cn4ccsc4n3)n2)c1 ZINC000683745139 1081477762 /nfs/dbraw/zinc/47/77/62/1081477762.db2.gz IMNROXPVFQZTMY-UHFFFAOYSA-N -1 3 366.233 4.365 20 0 FIADHM COc1ccc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c([O-])c1 ZINC000115156771 1081484537 /nfs/dbraw/zinc/48/45/37/1081484537.db2.gz RSDPTBHSSLGXFW-UHFFFAOYSA-N -1 3 374.506 4.175 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1[O-] ZINC000115256078 1081541691 /nfs/dbraw/zinc/54/16/91/1081541691.db2.gz WOEVZIMOCCECPR-AREMUKBSSA-N -1 3 365.454 4.261 20 0 FIADHM Cc1oc(CN2CCC(CCc3ccc(F)cc3F)CC2)cc1C(=O)[O-] ZINC000656191859 1081894843 /nfs/dbraw/zinc/89/48/43/1081894843.db2.gz SFTWIPSXJQSGHU-UHFFFAOYSA-N -1 3 363.404 4.409 20 0 FIADHM CC[C@@H](c1ccc(Br)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086809799 1081925881 /nfs/dbraw/zinc/92/58/81/1081925881.db2.gz ARIKNFXNLHPMAI-CJNGLKHVSA-N -1 3 354.288 4.477 20 0 FIADHM CCN(Cc1cccc(C(=O)[O-])c1Cl)[C@@H](COC)Cc1ccccc1 ZINC000580574881 1082023288 /nfs/dbraw/zinc/02/32/88/1082023288.db2.gz OPXLDCBEURSFLJ-QGZVFWFLSA-N -1 3 361.869 4.118 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(Cl)c1SCC(F)F ZINC000160623956 1082126516 /nfs/dbraw/zinc/12/65/16/1082126516.db2.gz ZEUYMWNKQWYGTE-LBPRGKRZSA-N -1 3 366.817 4.277 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(Cl)c1SCC(F)F ZINC000160623956 1082126518 /nfs/dbraw/zinc/12/65/18/1082126518.db2.gz ZEUYMWNKQWYGTE-LBPRGKRZSA-N -1 3 366.817 4.277 20 0 FIADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001625868131 1082201482 /nfs/dbraw/zinc/20/14/82/1082201482.db2.gz FODSIMZZWBETKC-APPDUMDISA-N -1 3 353.488 4.189 20 0 FIADHM Cc1c(-c2ccccc2)sc2[n-]c(COC[C@H]3CCCO3)nc(=O)c12 ZINC000656491839 1082480226 /nfs/dbraw/zinc/48/02/26/1082480226.db2.gz RAJLJBYRTHKMJG-CQSZACIVSA-N -1 3 356.447 4.068 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2Br)c1F ZINC000313209934 1082510478 /nfs/dbraw/zinc/51/04/78/1082510478.db2.gz OQEGDOOYPUUBFU-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM C=Cn1cc(CN[C@@H](c2cc(Cl)cc(Cl)c2)C(C)(C)C(=O)[O-])cn1 ZINC000656569636 1082595391 /nfs/dbraw/zinc/59/53/91/1082595391.db2.gz FETWFZJDFNRTBW-HNNXBMFYSA-N -1 3 368.264 4.232 20 0 FIADHM O=C(NCc1ncccc1[O-])c1sc2cccc(Cl)c2c1Cl ZINC000684350175 1082729001 /nfs/dbraw/zinc/72/90/01/1082729001.db2.gz HGBWDVRPITXIDG-UHFFFAOYSA-N -1 3 353.230 4.239 20 0 FIADHM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCC(c2ccco2)CC1 ZINC000656756572 1082750847 /nfs/dbraw/zinc/75/08/47/1082750847.db2.gz GIBARSXGJIBCKH-INIZCTEOSA-N -1 3 353.340 4.304 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(Cc3ccccc3)n2)[C@@H]2CCCC[C@H]12 ZINC000656766368 1082758727 /nfs/dbraw/zinc/75/87/27/1082758727.db2.gz QVXPPXQHTUSMPO-GUDVDZBRSA-N -1 3 370.518 4.199 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC([C@H]2CCCCO2)CC1 ZINC000656766606 1082758916 /nfs/dbraw/zinc/75/89/16/1082758916.db2.gz ANBGPCRYQLIWOO-NVXWUHKLSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)[C@H]2CCCC[C@H]12 ZINC000656765841 1082759643 /nfs/dbraw/zinc/75/96/43/1082759643.db2.gz PJKHCTAAISTBPO-KURKYZTESA-N -1 3 374.481 4.415 20 0 FIADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1nccc2occc21 ZINC001125545353 1083069957 /nfs/dbraw/zinc/06/99/57/1083069957.db2.gz PWVAUENSSOIRHN-UHFFFAOYSA-N -1 3 356.794 4.252 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H](OC(C)(C)C)C3(C)C)nc2)n1 ZINC000413603158 1083600248 /nfs/dbraw/zinc/60/02/48/1083600248.db2.gz HCFYJWBGJQFOSY-CVEARBPZSA-N -1 3 370.497 4.201 20 0 FIADHM Cc1nc(CCCNCc2ccc(Oc3ccccc3)o2)sc1C(=O)[O-] ZINC000277064672 1083730043 /nfs/dbraw/zinc/73/00/43/1083730043.db2.gz UTCGMMNUCIOUNJ-UHFFFAOYSA-N -1 3 372.446 4.257 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@H](c3ccccc3)c3cccnc3)n[n-]2)o1 ZINC000728414373 1083780259 /nfs/dbraw/zinc/78/02/59/1083780259.db2.gz PXWMKOLBDISPNN-HXUWFJFHSA-N -1 3 359.385 4.320 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@H](c3ccccc3)c3cccnc3)[n-]n2)o1 ZINC000728414373 1083780269 /nfs/dbraw/zinc/78/02/69/1083780269.db2.gz PXWMKOLBDISPNN-HXUWFJFHSA-N -1 3 359.385 4.320 20 0 FIADHM COc1ccccc1C[C@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000277152337 1083857824 /nfs/dbraw/zinc/85/78/24/1083857824.db2.gz CTNYMUSLDBFXQL-CYBMUJFWSA-N -1 3 368.260 4.035 20 0 FIADHM COc1ccccc1C[C@@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000277154374 1083859407 /nfs/dbraw/zinc/85/94/07/1083859407.db2.gz CTNYMUSLDBFXQL-ZDUSSCGKSA-N -1 3 368.260 4.035 20 0 FIADHM COCc1ccsc1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000181533768 1083944255 /nfs/dbraw/zinc/94/42/55/1083944255.db2.gz CKJTVHJGWOECED-UHFFFAOYSA-N -1 3 351.478 4.035 20 0 FIADHM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ncccc1[O-] ZINC000471994264 1083949030 /nfs/dbraw/zinc/94/90/30/1083949030.db2.gz ZXFVQAYCDYBBMT-KRWDZBQOSA-N -1 3 371.481 4.163 20 0 FIADHM CC[C@@H]1CCc2nc(NC(=O)CCCc3ccc([O-])c(F)c3)sc2C1 ZINC001626233193 1084048428 /nfs/dbraw/zinc/04/84/28/1084048428.db2.gz WEINWRBYMRHPJD-GFCCVEGCSA-N -1 3 362.470 4.464 20 0 FIADHM Cc1ccccc1C[C@@H](CNCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000277265125 1084101295 /nfs/dbraw/zinc/10/12/95/1084101295.db2.gz KYJYXKCEWAAELQ-INIZCTEOSA-N -1 3 372.515 4.213 20 0 FIADHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCC(F)(F)CC1 ZINC000684661239 1084110955 /nfs/dbraw/zinc/11/09/55/1084110955.db2.gz STXFYLAWGQSWCV-UHFFFAOYSA-N -1 3 358.237 4.240 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)c1nc(C)cs1 ZINC000472114874 1084373256 /nfs/dbraw/zinc/37/32/56/1084373256.db2.gz ILMGDCOJEIAPKE-CYBMUJFWSA-N -1 3 368.455 4.075 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000613158212 1084409534 /nfs/dbraw/zinc/40/95/34/1084409534.db2.gz CVGHPZDXNGLRIK-INIZCTEOSA-N -1 3 359.495 4.212 20 0 FIADHM CC(C)C[C@@H](C)Oc1cc(CNCc2c(F)ccc([O-])c2F)ccn1 ZINC000511072955 1084598775 /nfs/dbraw/zinc/59/87/75/1084598775.db2.gz HOIBTRQOSAGNLV-CYBMUJFWSA-N -1 3 350.409 4.169 20 0 FIADHM Cc1cccnc1[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)C(C)(C)C ZINC000934288666 1084622601 /nfs/dbraw/zinc/62/26/01/1084622601.db2.gz BTAKYMPOAZIIOO-HXUWFJFHSA-N -1 3 352.434 4.079 20 0 FIADHM Cc1nc(C(=O)Nc2cc(Cl)ccc2[O-])nn1-c1ccccc1C(C)C ZINC000109918357 1084883804 /nfs/dbraw/zinc/88/38/04/1084883804.db2.gz RXNQHOMQTWNEQB-UHFFFAOYSA-N -1 3 370.840 4.310 20 0 FIADHM CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(Br)c1 ZINC000024099277 1085405374 /nfs/dbraw/zinc/40/53/74/1085405374.db2.gz VDFHJQAGWBATHR-INIZCTEOSA-N -1 3 361.239 4.131 20 0 FIADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000652198241 1085751722 /nfs/dbraw/zinc/75/17/22/1085751722.db2.gz ROVBGNOGIHNHNS-FXAWDEMLSA-N -1 3 354.454 4.104 20 0 FIADHM CN(Cc1cc([O-])cc(F)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000473142850 1085804972 /nfs/dbraw/zinc/80/49/72/1085804972.db2.gz RGRCMCAGFCFADW-IBGZPJMESA-N -1 3 357.816 4.196 20 0 FIADHM O=C([N-][C@@H]1CCCc2occc21)C(F)(F)c1ccc(Br)cc1 ZINC001126170894 1085935809 /nfs/dbraw/zinc/93/58/09/1085935809.db2.gz KLNBYYUMQSINRL-CYBMUJFWSA-N -1 3 370.193 4.328 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCc4ccccc43)c2)n1 ZINC000049303761 1086000596 /nfs/dbraw/zinc/00/05/96/1086000596.db2.gz KYJRTRNMOVPEGU-HXUWFJFHSA-N -1 3 373.456 4.058 20 0 FIADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC([C@H]2CCCO2)CC1 ZINC000652416470 1086025531 /nfs/dbraw/zinc/02/55/31/1086025531.db2.gz HOPNASDZAPYFBT-HZPDHXFCSA-N -1 3 358.265 4.010 20 0 FIADHM O=C([O-])[C@H]1CN(CCCc2ccc(C(F)(F)F)cc2)Cc2ccccc21 ZINC000652469870 1086088943 /nfs/dbraw/zinc/08/89/43/1086088943.db2.gz HGFXOCYSHXIVMX-SFHVURJKSA-N -1 3 363.379 4.322 20 0 FIADHM O=C([O-])[C@@H]1CN(CCc2cccc(Cl)c2Cl)Cc2ccccc21 ZINC000652469670 1086089161 /nfs/dbraw/zinc/08/91/61/1086089161.db2.gz BNKMHNXHAIERKC-OAHLLOKOSA-N -1 3 350.245 4.220 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2)Cc2ccccc21 ZINC000652471068 1086090671 /nfs/dbraw/zinc/09/06/71/1086090671.db2.gz SGFYZMYQJBTIDJ-HSZRJFAPSA-N -1 3 373.452 4.450 20 0 FIADHM C[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CCc2ccc(F)cc21 ZINC000652510667 1086139251 /nfs/dbraw/zinc/13/92/51/1086139251.db2.gz HKMLIGPQZMYKEN-ZMZPIMSZSA-N -1 3 365.807 4.406 20 0 FIADHM [O-]c1ccccc1-c1nnc(CN2CCC(Cc3ccccc3F)CC2)o1 ZINC001167654226 1086257089 /nfs/dbraw/zinc/25/70/89/1086257089.db2.gz YFYNFLWBKBRKFI-UHFFFAOYSA-N -1 3 367.424 4.036 20 0 FIADHM CC(C)c1cccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c1 ZINC000663260219 1086339116 /nfs/dbraw/zinc/33/91/16/1086339116.db2.gz PXCCOBWGOZGZKY-NRFANRHFSA-N -1 3 363.461 4.301 20 0 FIADHM Cc1cc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)c(OC(F)F)cc1C ZINC000663262956 1086346824 /nfs/dbraw/zinc/34/68/24/1086346824.db2.gz VXRFOUYZJICDFP-GFCCVEGCSA-N -1 3 369.330 4.038 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cc(C(C)(C)N)no1 ZINC000662579791 1086498563 /nfs/dbraw/zinc/49/85/63/1086498563.db2.gz GIQJPPWAUYTAPW-UHFFFAOYSA-N -1 3 353.875 4.275 20 0 FIADHM C[C@]12CN(Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000583452354 1086693221 /nfs/dbraw/zinc/69/32/21/1086693221.db2.gz DVJRCSYMZIKASP-JIYIMXKPSA-N -1 3 368.502 4.376 20 0 FIADHM C[C@H](SCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(C2CC2)no1 ZINC000564717743 1086758779 /nfs/dbraw/zinc/75/87/79/1086758779.db2.gz VMRIKKOJKCVJNQ-NSHDSACASA-N -1 3 354.435 4.104 20 0 FIADHM O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc([O-])ccc1Cl ZINC000583514658 1086759959 /nfs/dbraw/zinc/75/99/59/1086759959.db2.gz KFNLUBXKEKSGKZ-LBPRGKRZSA-N -1 3 358.608 4.216 20 0 FIADHM COCCOc1cc(Nc2cc(F)c([O-])c(F)c2)cc(C(F)(F)F)c1 ZINC001213388918 1086769655 /nfs/dbraw/zinc/76/96/55/1086769655.db2.gz STOQPHSFAUNXLJ-UHFFFAOYSA-N -1 3 363.282 4.458 20 0 FIADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000512131582 1086806094 /nfs/dbraw/zinc/80/60/94/1086806094.db2.gz FYMJKILVVWNFLC-UHFFFAOYSA-N -1 3 356.403 4.141 20 0 FIADHM O=S(=O)([N-]Cc1coc2ccccc12)c1ccc(F)cc1C(F)(F)F ZINC000512161876 1086860289 /nfs/dbraw/zinc/86/02/89/1086860289.db2.gz ZBANJIHSEVNFHG-UHFFFAOYSA-N -1 3 373.327 4.069 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCCC2(CCOCC2)C1 ZINC000583940169 1087052755 /nfs/dbraw/zinc/05/27/55/1087052755.db2.gz TXAGHJDMOJEKMO-OAHLLOKOSA-N -1 3 358.265 4.012 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C(C)C)cc32)c(F)cc1F ZINC001211606454 1087097501 /nfs/dbraw/zinc/09/75/01/1087097501.db2.gz UOQUYKLJPOYDGE-GOSISDBHSA-N -1 3 365.445 4.362 20 0 FIADHM CCOCCOCc1cccc(NC(=O)c2cccc(CC)c2[O-])c1C ZINC000091991785 1087436348 /nfs/dbraw/zinc/43/63/48/1087436348.db2.gz YHWOMZFSUMPQFY-UHFFFAOYSA-N -1 3 357.450 4.068 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](CC(C)C)C3)cc2)cc(=O)[n-]1 ZINC000329823965 1087438810 /nfs/dbraw/zinc/43/88/10/1087438810.db2.gz QNGPBGQLATZDHP-OAHLLOKOSA-N -1 3 354.454 4.058 20 0 FIADHM O=S(=O)([N-]CCc1cccc2ccccc21)c1ccc(Cl)s1 ZINC000030430297 1087780352 /nfs/dbraw/zinc/78/03/52/1087780352.db2.gz AEFCQBSSLGEDTJ-UHFFFAOYSA-N -1 3 351.880 4.076 20 0 FIADHM C[C@H](c1ccc(Cl)cc1)N(CC(=O)[N-]OCc1ccccc1)C1CC1 ZINC001167698842 1087939030 /nfs/dbraw/zinc/93/90/30/1087939030.db2.gz DEYYLKPEVONWJT-OAHLLOKOSA-N -1 3 358.869 4.113 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1 ZINC000031721559 1087997323 /nfs/dbraw/zinc/99/73/23/1087997323.db2.gz AAUGEEPNQMMKFE-UHFFFAOYSA-N -1 3 369.870 4.327 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)s1 ZINC000505004767 1088031779 /nfs/dbraw/zinc/03/17/79/1088031779.db2.gz DUWLHFICCJIHAQ-SSDOTTSWSA-N -1 3 360.660 4.361 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2cc(Br)ccc2c1 ZINC000163037016 1088041358 /nfs/dbraw/zinc/04/13/58/1088041358.db2.gz XMGARFFHYASAMQ-OAHLLOKOSA-N -1 3 365.227 4.182 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2cc(Br)ccc2c1 ZINC000163037016 1088041374 /nfs/dbraw/zinc/04/13/74/1088041374.db2.gz XMGARFFHYASAMQ-OAHLLOKOSA-N -1 3 365.227 4.182 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc2cc(Br)ccc2c1 ZINC000163037110 1088042007 /nfs/dbraw/zinc/04/20/07/1088042007.db2.gz XMGARFFHYASAMQ-HNNXBMFYSA-N -1 3 365.227 4.182 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc2cc(Br)ccc2c1 ZINC000163037110 1088042027 /nfs/dbraw/zinc/04/20/27/1088042027.db2.gz XMGARFFHYASAMQ-HNNXBMFYSA-N -1 3 365.227 4.182 20 0 FIADHM CSc1ccc(-c2csc(NC(=O)c3cccc4n[n-]nc43)n2)cc1 ZINC000187827398 1088339327 /nfs/dbraw/zinc/33/93/27/1088339327.db2.gz BFPMBIGNOVFDBL-UHFFFAOYSA-N -1 3 367.459 4.056 20 0 FIADHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(-c2ccc(F)cc2)o1 ZINC000031564922 1088601219 /nfs/dbraw/zinc/60/12/19/1088601219.db2.gz MXMTWKQJWLRWJJ-UHFFFAOYSA-N -1 3 357.288 4.208 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)c([O-])c1 ZINC000647650842 1088603978 /nfs/dbraw/zinc/60/39/78/1088603978.db2.gz YHBYAYUMDGCLRJ-XLNTUCKNSA-N -1 3 359.510 4.307 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([O-])c1 ZINC000647650839 1088604523 /nfs/dbraw/zinc/60/45/23/1088604523.db2.gz YHBYAYUMDGCLRJ-NMLACTOBSA-N -1 3 359.510 4.307 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc3scnc3c2)no1)c1ccccc1Cl ZINC001211646931 1088747302 /nfs/dbraw/zinc/74/73/02/1088747302.db2.gz DEYBROWCRDXRAM-UHFFFAOYSA-N -1 3 355.806 4.425 20 0 FIADHM [O-]C(=Cc1nc(-c2ccc(-n3cccn3)cc2)no1)c1ccccc1Cl ZINC001211647255 1088758704 /nfs/dbraw/zinc/75/87/04/1088758704.db2.gz KMPJNVJDKMIDFL-UHFFFAOYSA-N -1 3 364.792 4.001 20 0 FIADHM COc1c(F)c(F)ccc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647160 1088761101 /nfs/dbraw/zinc/76/11/01/1088761101.db2.gz JAEDBPNVBRCCNP-UHFFFAOYSA-N -1 3 364.735 4.102 20 0 FIADHM CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000179650210 1088761653 /nfs/dbraw/zinc/76/16/53/1088761653.db2.gz UAMUYUMXHFOTCI-UHFFFAOYSA-N -1 3 355.369 4.131 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(Cc3c(F)cccc3F)CC2)cc1F ZINC000659797356 1088876361 /nfs/dbraw/zinc/87/63/61/1088876361.db2.gz MOVXYGBPMUIFEO-UHFFFAOYSA-N -1 3 363.379 4.257 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2cc(F)ccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000659797351 1088876905 /nfs/dbraw/zinc/87/69/05/1088876905.db2.gz LBSHJBRCANKIQT-JKSUJKDBSA-N -1 3 368.235 4.433 20 0 FIADHM Cc1nc([C@@H](C)N2CC[C@H](C(=O)[O-])[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000659801369 1088888524 /nfs/dbraw/zinc/88/85/24/1088888524.db2.gz SXQLLQBIMVZNPW-KFNAQCHYSA-N -1 3 362.857 4.407 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659804985 1088893093 /nfs/dbraw/zinc/89/30/93/1088893093.db2.gz JMQIEHUKZICJMW-RYQLBKOJSA-N -1 3 370.276 4.012 20 0 FIADHM CN(CCOc1ccc(Cl)cc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468548399 1088909431 /nfs/dbraw/zinc/90/94/31/1088909431.db2.gz PFRXHGFFYXOBEW-UHFFFAOYSA-N -1 3 365.832 4.045 20 0 FIADHM CCc1cc(=O)[n-]c(CNC2(c3ccc(C(F)(F)F)cc3)CCCC2)n1 ZINC000505479722 1088953977 /nfs/dbraw/zinc/95/39/77/1088953977.db2.gz KDIUVIADCBAOMA-UHFFFAOYSA-N -1 3 365.399 4.323 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000377291759 1089194717 /nfs/dbraw/zinc/19/47/17/1089194717.db2.gz MZNWICSDQUMIBE-UHFFFAOYSA-N -1 3 366.848 4.201 20 0 FIADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)c([O-])c1 ZINC000515096282 1089777371 /nfs/dbraw/zinc/77/73/71/1089777371.db2.gz ZOLJGBMZTQGYPU-INIZCTEOSA-N -1 3 362.429 4.166 20 0 FIADHM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000435601132 1089807100 /nfs/dbraw/zinc/80/71/00/1089807100.db2.gz JQIJLQISCHKKQA-JOCQHMNTSA-N -1 3 356.274 4.218 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(-c2cccs2)on1 ZINC000515205975 1089887098 /nfs/dbraw/zinc/88/70/98/1089887098.db2.gz ZPDSAYWVXGOROD-UHFFFAOYSA-N -1 3 365.208 4.124 20 0 FIADHM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc([O-])ccc1Cl ZINC000549977189 1089905196 /nfs/dbraw/zinc/90/51/96/1089905196.db2.gz MOIDATHUNWUGMG-UHFFFAOYSA-N -1 3 354.793 4.163 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(F)c(F)cc1Cl ZINC000182144040 1090055648 /nfs/dbraw/zinc/05/56/48/1090055648.db2.gz DMGMXABQWFIZGX-UHFFFAOYSA-N -1 3 357.794 4.451 20 0 FIADHM O=C(CCc1ccc(Cl)s1)Nc1ccc(Br)cc1[O-] ZINC000613706068 1090367001 /nfs/dbraw/zinc/36/70/01/1090367001.db2.gz FFYDCNIPZRHKCK-UHFFFAOYSA-N -1 3 360.660 4.441 20 0 FIADHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000416544321 1090439685 /nfs/dbraw/zinc/43/96/85/1090439685.db2.gz ZFPQYNDOXRWMDG-GFCCVEGCSA-N -1 3 373.305 4.078 20 0 FIADHM Cc1ccc(CCC(=O)Nc2cccc([O-])c2F)c(Br)c1 ZINC000185783624 1090575846 /nfs/dbraw/zinc/57/58/46/1090575846.db2.gz IOAZBGMJPPYMAR-UHFFFAOYSA-N -1 3 352.203 4.174 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(C)c(Br)c3)no2)c1[O-] ZINC000318868517 1090631450 /nfs/dbraw/zinc/63/14/50/1090631450.db2.gz GWRISRRWGXQTKR-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000584637920 1090660561 /nfs/dbraw/zinc/66/05/61/1090660561.db2.gz FZXUQNATPYZUJH-UGSOOPFHSA-N -1 3 365.807 4.309 20 0 FIADHM COCc1ccc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000417562065 1090927771 /nfs/dbraw/zinc/92/77/71/1090927771.db2.gz LZKMUKUIJPYUMD-KRWDZBQOSA-N -1 3 368.260 4.445 20 0 FIADHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)ccc1C ZINC000417590320 1090934377 /nfs/dbraw/zinc/93/43/77/1090934377.db2.gz RBIIGWDFSMPALH-INIZCTEOSA-N -1 3 367.367 4.328 20 0 FIADHM C[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H](C)C(=O)[O-] ZINC000417613781 1090943180 /nfs/dbraw/zinc/94/31/80/1090943180.db2.gz QSVPTWYSHJBQPQ-VHSXEESVSA-N -1 3 358.385 4.028 20 0 FIADHM CC(C)Sc1cccc(Cl)c1CNCCc1cccc(C(=O)[O-])n1 ZINC000417632590 1090945606 /nfs/dbraw/zinc/94/56/06/1090945606.db2.gz GFHIQZIOIFHKML-UHFFFAOYSA-N -1 3 364.898 4.266 20 0 FIADHM COc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OCC(C)C ZINC000417627356 1090948879 /nfs/dbraw/zinc/94/88/79/1090948879.db2.gz UWZMBNRPCPKRNW-MOPGFXCFSA-N -1 3 369.461 4.133 20 0 FIADHM COc1ccc2oc(C)c(C([O-])=C(C#N)c3nc4ccccc4n3C)c2c1 ZINC000123024320 1090981110 /nfs/dbraw/zinc/98/11/10/1090981110.db2.gz ZORVGTFWZIAHPK-OAHLLOKOSA-N -1 3 359.385 4.127 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2csc(CCc3ccccc3)n2)s1 ZINC000500128565 1091055965 /nfs/dbraw/zinc/05/59/65/1091055965.db2.gz ZRBQAPQXDHOFCV-UHFFFAOYSA-N -1 3 372.519 4.375 20 0 FIADHM O=c1nc(C(Cl)=Cc2cocn2)[n-]c2scc(-c3ccccc3)c21 ZINC000191221918 1091057290 /nfs/dbraw/zinc/05/72/90/1091057290.db2.gz RJZFJVBAIMDIKS-AWNIVKPZSA-N -1 3 355.806 4.377 20 0 FIADHM Cc1nc2c(s1)[C@H](N(C)C(=O)CCCc1ccc([O-])c(F)c1)CCC2 ZINC000468751033 1091093005 /nfs/dbraw/zinc/09/30/05/1091093005.db2.gz AAKNNXWVTOZHNY-MRXNPFEDSA-N -1 3 362.470 4.155 20 0 FIADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)cc1 ZINC000431993728 1091526806 /nfs/dbraw/zinc/52/68/06/1091526806.db2.gz UCRQBVLPOPNWQQ-UHFFFAOYSA-N -1 3 368.658 4.473 20 0 FIADHM O=S(=O)([N-]c1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1ccccc1 ZINC000511741158 1091584746 /nfs/dbraw/zinc/58/47/46/1091584746.db2.gz WJNDTTRDLLOBNI-UHFFFAOYSA-N -1 3 367.405 4.170 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@@H]3CCCC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000512235585 1091944527 /nfs/dbraw/zinc/94/45/27/1091944527.db2.gz YAJKWSKVQZCSJN-ZBFHGGJFSA-N -1 3 368.481 4.496 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1F ZINC000512350003 1092105860 /nfs/dbraw/zinc/10/58/60/1092105860.db2.gz FEHBHOVFLFMNHW-MRXNPFEDSA-N -1 3 373.321 4.263 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1n[nH]c2ccc(Cl)cc21 ZINC000500521979 1092180959 /nfs/dbraw/zinc/18/09/59/1092180959.db2.gz FUKCOYFJHGDVTA-UHFFFAOYSA-N -1 3 355.703 4.193 20 0 FIADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc(F)ccc1F ZINC000021954337 1092217345 /nfs/dbraw/zinc/21/73/45/1092217345.db2.gz ISUILYWDCDUKHI-UHFFFAOYSA-N -1 3 363.414 4.361 20 0 FIADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000432758484 1092276814 /nfs/dbraw/zinc/27/68/14/1092276814.db2.gz FSOVCWQNLORRAM-UHFFFAOYSA-N -1 3 353.871 4.329 20 0 FIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1 ZINC000432767821 1092300785 /nfs/dbraw/zinc/30/07/85/1092300785.db2.gz LTMULOPEURXXCN-UHFFFAOYSA-N -1 3 367.474 4.297 20 0 FIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1F ZINC000432768295 1092306184 /nfs/dbraw/zinc/30/61/84/1092306184.db2.gz WZWZKEXRZVKAAK-UHFFFAOYSA-N -1 3 367.442 4.076 20 0 FIADHM O=C([O-])C[C@H](NCc1cnc(-c2ccsc2)s1)c1ccsc1 ZINC000426694370 1092540153 /nfs/dbraw/zinc/54/01/53/1092540153.db2.gz CEQRRIAGAXCMFG-ZDUSSCGKSA-N -1 3 350.490 4.239 20 0 FIADHM O=C([O-])c1ccc(OCCN(Cc2ccc(F)cc2)C2CC2)c(Cl)c1 ZINC000521257890 1092601446 /nfs/dbraw/zinc/60/14/46/1092601446.db2.gz RCONOLVMQLALMC-UHFFFAOYSA-N -1 3 363.816 4.221 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)o1 ZINC000432873786 1092656853 /nfs/dbraw/zinc/65/68/53/1092656853.db2.gz BZTNERRRNKYRDH-UHFFFAOYSA-N -1 3 362.842 4.360 20 0 FIADHM O=C(Nc1ncccc1[O-])c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000110227598 1092830180 /nfs/dbraw/zinc/83/01/80/1092830180.db2.gz KXYIHAHQXLCITR-UHFFFAOYSA-N -1 3 365.336 4.182 20 0 FIADHM c1[n-][nH]c2ncnc(=N[C@H](c3ccccc3)c3ccc4ccccc4c3)c1-2 ZINC000521883325 1092958403 /nfs/dbraw/zinc/95/84/03/1092958403.db2.gz USJDQYRZUNFCTF-HXUWFJFHSA-N -1 3 351.413 4.081 20 0 FIADHM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3F)c2)n1 ZINC000443403263 1093105936 /nfs/dbraw/zinc/10/59/36/1093105936.db2.gz AENRQWKFOHKHLS-UHFFFAOYSA-N -1 3 366.414 4.198 20 0 FIADHM [O-]c1ccc(F)c(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)c1F ZINC000512683577 1093135694 /nfs/dbraw/zinc/13/56/94/1093135694.db2.gz URVPKLZHNLDDOB-LLVKDONJSA-N -1 3 372.337 4.058 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2ccnc(Oc3ccccc3)c2)[nH][n-]1 ZINC000522171236 1093140192 /nfs/dbraw/zinc/14/01/92/1093140192.db2.gz MJEADOHTUKHNDS-UHFFFAOYSA-N -1 3 370.412 4.247 20 0 FIADHM O=c1[n-]c(CN[C@@H](c2ccccc2)C(F)F)nc2c3ccccc3oc21 ZINC000433059215 1093177768 /nfs/dbraw/zinc/17/77/68/1093177768.db2.gz SIHGTYANLBZORZ-HNNXBMFYSA-N -1 3 355.344 4.178 20 0 FIADHM COc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1OCCC(C)C ZINC000665341993 1093204565 /nfs/dbraw/zinc/20/45/65/1093204565.db2.gz MQBFCNVVNJKBQR-UHFFFAOYSA-N -1 3 363.498 4.197 20 0 FIADHM [O-]c1cccc(CNCc2cc(Cl)c3c(c2)OCCCO3)c1Cl ZINC000645143197 1093237894 /nfs/dbraw/zinc/23/78/94/1093237894.db2.gz WTFSOXWMHRFLQK-UHFFFAOYSA-N -1 3 354.233 4.150 20 0 FIADHM O=C([O-])[C@H](CNCc1csc(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000665363366 1093372990 /nfs/dbraw/zinc/37/29/90/1093372990.db2.gz YMTRUOYSFZAMTD-OAHLLOKOSA-N -1 3 350.871 4.054 20 0 FIADHM Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c2cccnc12 ZINC000433224640 1093447698 /nfs/dbraw/zinc/44/76/98/1093447698.db2.gz BNOSGQYENDWBEP-UHFFFAOYSA-N -1 3 361.376 4.085 20 0 FIADHM CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509845416 1093527892 /nfs/dbraw/zinc/52/78/92/1093527892.db2.gz ZCWPFCPWYPCAJW-UHFFFAOYSA-N -1 3 362.433 4.212 20 0 FIADHM CCCNC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1Cl ZINC000433319200 1093579201 /nfs/dbraw/zinc/57/92/01/1093579201.db2.gz OADPYLUSLPCYMG-UHFFFAOYSA-N -1 3 367.232 4.091 20 0 FIADHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000433371339 1093629111 /nfs/dbraw/zinc/62/91/11/1093629111.db2.gz LDYPULXNWQEQCR-CQSZACIVSA-N -1 3 350.871 4.214 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)c1 ZINC000327305562 1093633167 /nfs/dbraw/zinc/63/31/67/1093633167.db2.gz FNQUTWZQFTUJLU-UHFFFAOYSA-N -1 3 350.296 4.060 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H](C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000509871065 1093656374 /nfs/dbraw/zinc/65/63/74/1093656374.db2.gz HKVDJDNSLCXMQR-AWEZNQCLSA-N -1 3 362.433 4.383 20 0 FIADHM CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2[O-])cc1F ZINC000474361928 1093711749 /nfs/dbraw/zinc/71/17/49/1093711749.db2.gz GOEAPYWUEUQAHE-UHFFFAOYSA-N -1 3 365.788 4.185 20 0 FIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1Cc1ccccn1 ZINC000114794769 1093712973 /nfs/dbraw/zinc/71/29/73/1093712973.db2.gz ZDTLIPQNZNOTGQ-UHFFFAOYSA-N -1 3 355.825 4.160 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c(C)c1 ZINC000010516331 1093874006 /nfs/dbraw/zinc/87/40/06/1093874006.db2.gz WFBCGJJJZINCBX-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM COc1ccccc1-c1cc(=NC(=O)[C@@H](CC(C)C)c2ccccc2)[nH][n-]1 ZINC000607189822 1093884100 /nfs/dbraw/zinc/88/41/00/1093884100.db2.gz IPFPJNPTZUIGBA-SFHVURJKSA-N -1 3 363.461 4.276 20 0 FIADHM CSc1nc(NC(=O)C=Cc2cc(C)n(C3CCCCC3)c2C)n[n-]1 ZINC000729352243 1093969964 /nfs/dbraw/zinc/96/99/64/1093969964.db2.gz NHZNDNRUXSCFNC-KTKRTIGZSA-N -1 3 359.499 4.102 20 0 FIADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000726808126 1093976010 /nfs/dbraw/zinc/97/60/10/1093976010.db2.gz DYSSARVCRQLUAT-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM Cc1oc(-c2ccsc2)nc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000726808126 1093976013 /nfs/dbraw/zinc/97/60/13/1093976013.db2.gz DYSSARVCRQLUAT-UHFFFAOYSA-N -1 3 355.375 4.052 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4ccc(C(C)C)cc4C3)nc2)n1 ZINC000664226665 1094349658 /nfs/dbraw/zinc/34/96/58/1094349658.db2.gz PPRCNRNNJRAQCH-UHFFFAOYSA-N -1 3 374.488 4.493 20 0 FIADHM CC[C@H](C)n1ncc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1C1CC1 ZINC000563897030 1094487551 /nfs/dbraw/zinc/48/75/51/1094487551.db2.gz KLWGTOPMFJLCOH-LBPRGKRZSA-N -1 3 367.902 4.327 20 0 FIADHM COc1cccc(-c2nsc([N-]C(=O)c3cc(Cl)ccc3F)n2)c1 ZINC000102910961 1094691628 /nfs/dbraw/zinc/69/16/28/1094691628.db2.gz JVONRQGIGKYCNA-UHFFFAOYSA-N -1 3 363.801 4.259 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)[n-]1 ZINC000501727903 1094899133 /nfs/dbraw/zinc/89/91/33/1094899133.db2.gz JVXUUGUYARKHLD-UHFFFAOYSA-N -1 3 362.813 4.028 20 0 FIADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3cc(F)ccc3[O-])c2)c1C ZINC000501749771 1094909469 /nfs/dbraw/zinc/90/94/69/1094909469.db2.gz PABOHGMFYJHSFA-UHFFFAOYSA-N -1 3 353.397 4.149 20 0 FIADHM Cc1nnc([N-]C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)s1 ZINC000501868338 1094981908 /nfs/dbraw/zinc/98/19/08/1094981908.db2.gz DZJQLPNGMDSJBQ-UHFFFAOYSA-N -1 3 360.464 4.010 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000191926582 1094997209 /nfs/dbraw/zinc/99/72/09/1094997209.db2.gz UGWXCKIEIAIQFX-UHFFFAOYSA-N -1 3 372.227 4.074 20 0 FIADHM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1Cl ZINC000509539333 1095397783 /nfs/dbraw/zinc/39/77/83/1095397783.db2.gz IRVIZKFUGRWBKU-UHFFFAOYSA-N -1 3 360.262 4.420 20 0 FIADHM CC[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000545894307 1095473944 /nfs/dbraw/zinc/47/39/44/1095473944.db2.gz VURQTUBZNUMKEJ-CYBMUJFWSA-N -1 3 352.203 4.426 20 0 FIADHM CCCCc1nc(NC(=O)c2coc3c2cccc3C)c(C(=O)OCC)[n-]1 ZINC001269128388 1095591135 /nfs/dbraw/zinc/59/11/35/1095591135.db2.gz LCSQICBOYINYFK-UHFFFAOYSA-N -1 3 369.421 4.236 20 0 FIADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000444052770 1095643638 /nfs/dbraw/zinc/64/36/38/1095643638.db2.gz SQCIOQPRLLDGBM-UHFFFAOYSA-N -1 3 373.503 4.353 20 0 FIADHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1ccccc1SC ZINC000444065397 1095660455 /nfs/dbraw/zinc/66/04/55/1095660455.db2.gz LYGYQUSCGNCOQN-UHFFFAOYSA-N -1 3 373.499 4.049 20 0 FIADHM O=C(CCc1cccc(F)c1F)Nc1ccc(Br)cc1[O-] ZINC000522904588 1095866410 /nfs/dbraw/zinc/86/64/10/1095866410.db2.gz LMLCXAUBFOBDNM-UHFFFAOYSA-N -1 3 356.166 4.004 20 0 FIADHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000503003055 1096012415 /nfs/dbraw/zinc/01/24/15/1096012415.db2.gz DTQKARVOLZYZGD-NSHDSACASA-N -1 3 360.335 4.038 20 0 FIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000273637342 1096281092 /nfs/dbraw/zinc/28/10/92/1096281092.db2.gz UAYIFMVTYLSALF-UHFFFAOYSA-N -1 3 357.154 4.153 20 0 FIADHM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cc(F)cc2n[n-]nc21 ZINC000503283259 1096343369 /nfs/dbraw/zinc/34/33/69/1096343369.db2.gz KWBCWJPIABZYRI-UHFFFAOYSA-N -1 3 368.318 4.295 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3occc3-c3ccc(F)cc3)n[nH]2)cc1 ZINC000503381699 1096381577 /nfs/dbraw/zinc/38/15/77/1096381577.db2.gz DZYJMOXFNXNQDB-UHFFFAOYSA-N -1 3 362.364 4.432 20 0 FIADHM Cc1c(C(=O)[N-]c2cc(F)ccc2SCC(F)F)sc2nccn12 ZINC000503410953 1096389142 /nfs/dbraw/zinc/38/91/42/1096389142.db2.gz YPODKJCUYCIEFL-UHFFFAOYSA-N -1 3 371.409 4.453 20 0 FIADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1cccc(Cl)c1Cl ZINC000504547377 1096805607 /nfs/dbraw/zinc/80/56/07/1096805607.db2.gz NNEWHRZUKMDHBQ-ZDUSSCGKSA-N -1 3 372.273 4.186 20 0 FIADHM COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159682 1098811630 /nfs/dbraw/zinc/81/16/30/1098811630.db2.gz PSSGKTBSSQPCPD-UHFFFAOYSA-N -1 3 355.221 4.148 20 0 FIADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000515709539 1098853350 /nfs/dbraw/zinc/85/33/50/1098853350.db2.gz PRWPADBIMXLFAJ-SKDRFNHKSA-N -1 3 360.262 4.188 20 0 FIADHM C[C@H](c1cccc2ccccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000533388759 1099017621 /nfs/dbraw/zinc/01/76/21/1099017621.db2.gz WKWNDABGOXAFMY-QGZVFWFLSA-N -1 3 360.457 4.064 20 0 FIADHM CC[C@H]1CCCN1Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000533423863 1099044020 /nfs/dbraw/zinc/04/40/20/1099044020.db2.gz XFHYKGCHUXVPNU-AWEZNQCLSA-N -1 3 369.490 4.035 20 0 FIADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436493716 1099055789 /nfs/dbraw/zinc/05/57/89/1099055789.db2.gz MKMORTSVBXTXFJ-CYBMUJFWSA-N -1 3 366.417 4.323 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2OCc2cscn2)c([O-])c1C ZINC000436547296 1099095640 /nfs/dbraw/zinc/09/56/40/1099095640.db2.gz WSDOHKHEXXQOSC-UHFFFAOYSA-N -1 3 354.431 4.297 20 0 FIADHM CC(C)c1ccc(C(=O)Nc2ccccc2OCCn2ccnc2)c([O-])c1 ZINC000436550824 1099096322 /nfs/dbraw/zinc/09/63/22/1099096322.db2.gz VICAEYGXUUDOKP-UHFFFAOYSA-N -1 3 365.433 4.043 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c1[O-] ZINC000436550808 1099096511 /nfs/dbraw/zinc/09/65/11/1099096511.db2.gz VDRYPSALLMZFJG-CQSZACIVSA-N -1 3 366.461 4.133 20 0 FIADHM COC1CCC(N(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436554361 1099099167 /nfs/dbraw/zinc/09/91/67/1099099167.db2.gz KQXQQEHRCDHJOT-UHFFFAOYSA-N -1 3 355.434 4.214 20 0 FIADHM COCc1c(Br)cccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436544706 1099109915 /nfs/dbraw/zinc/10/99/15/1099109915.db2.gz POBJYSRGPTXMJX-UHFFFAOYSA-N -1 3 364.239 4.170 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c([O-])c1C ZINC000436545447 1099111900 /nfs/dbraw/zinc/11/19/00/1099111900.db2.gz BPMNHMMYNULTRV-MRXNPFEDSA-N -1 3 355.434 4.209 20 0 FIADHM Cc1cccc(CN(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436566535 1099117103 /nfs/dbraw/zinc/11/71/03/1099117103.db2.gz VEHNDTVVFGMBKS-UHFFFAOYSA-N -1 3 360.457 4.153 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000436573498 1099123587 /nfs/dbraw/zinc/12/35/87/1099123587.db2.gz IATVSZCUHPOUAY-QFIPXVFZSA-N -1 3 367.445 4.217 20 0 FIADHM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436593072 1099125446 /nfs/dbraw/zinc/12/54/46/1099125446.db2.gz CCQMSCOFALOVJL-UHFFFAOYSA-N -1 3 351.368 4.256 20 0 FIADHM CCc1c(NC(=O)c2cc(OC)ccc2[O-])cnn1-c1ccccc1Cl ZINC000436597003 1099127424 /nfs/dbraw/zinc/12/74/24/1099127424.db2.gz SRPZHQNVXNTVCR-UHFFFAOYSA-N -1 3 371.824 4.055 20 0 FIADHM CCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436597297 1099129056 /nfs/dbraw/zinc/12/90/56/1099129056.db2.gz URWGTMGQIDMLBF-UHFFFAOYSA-N -1 3 371.824 4.055 20 0 FIADHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCc2c1cccc2F ZINC000436624928 1099152010 /nfs/dbraw/zinc/15/20/10/1099152010.db2.gz MWBRLPHOPKPNLY-UHFFFAOYSA-N -1 3 363.388 4.313 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000436630840 1099158263 /nfs/dbraw/zinc/15/82/63/1099158263.db2.gz QSRZJNVVADZYFJ-UHFFFAOYSA-N -1 3 365.351 4.136 20 0 FIADHM COc1cc(C)c(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1OC ZINC000436634355 1099164162 /nfs/dbraw/zinc/16/41/62/1099164162.db2.gz KIMZBOPSVXWKSR-UHFFFAOYSA-N -1 3 357.450 4.113 20 0 FIADHM CCOc1cc(-c2nc3cc(C)ccc3n2C)cc(Br)c1[O-] ZINC000436657096 1099179316 /nfs/dbraw/zinc/17/93/16/1099179316.db2.gz PIEBBHRNDOFKHF-UHFFFAOYSA-N -1 3 361.239 4.416 20 0 FIADHM COc1ccc(-c2nc(NC(=O)c3cc(OC)ccc3[O-])sc2C)cc1 ZINC000436665453 1099194372 /nfs/dbraw/zinc/19/43/72/1099194372.db2.gz OGINPSURLMDNGQ-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM COc1ccccc1O[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436675576 1099209828 /nfs/dbraw/zinc/20/98/28/1099209828.db2.gz LGNUQINWWOEGPL-KRWDZBQOSA-N -1 3 369.461 4.208 20 0 FIADHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436706771 1099240366 /nfs/dbraw/zinc/24/03/66/1099240366.db2.gz DCTGCGLIOMMZBE-YVEFUNNKSA-N -1 3 365.351 4.013 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)c([O-])c1C ZINC000436722771 1099253426 /nfs/dbraw/zinc/25/34/26/1099253426.db2.gz LWKIPNJYGYTYAM-UHFFFAOYSA-N -1 3 365.458 4.238 20 0 FIADHM CCc1ccc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)c([O-])c1 ZINC000436722279 1099253490 /nfs/dbraw/zinc/25/34/90/1099253490.db2.gz KBTRYALXMPLEAJ-UHFFFAOYSA-N -1 3 365.458 4.184 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000436740934 1099259869 /nfs/dbraw/zinc/25/98/69/1099259869.db2.gz AYKNLRHVWDYEED-OAHLLOKOSA-N -1 3 364.214 4.271 20 0 FIADHM CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436739528 1099260287 /nfs/dbraw/zinc/26/02/87/1099260287.db2.gz ODJTUOKYXJYSDU-LLVKDONJSA-N -1 3 358.829 4.322 20 0 FIADHM O=c1[n-]c(CN2CC=C(c3ccc(O)cc3)CC2)nc2c3ccccc3oc21 ZINC000436740183 1099260301 /nfs/dbraw/zinc/26/03/01/1099260301.db2.gz RGDKCGVAENPXEO-UHFFFAOYSA-N -1 3 373.412 4.077 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1 ZINC000533647248 1099270055 /nfs/dbraw/zinc/27/00/55/1099270055.db2.gz CICJDKRDHKOFMR-UHFFFAOYSA-N -1 3 354.450 4.039 20 0 FIADHM CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436746912 1099278652 /nfs/dbraw/zinc/27/86/52/1099278652.db2.gz JDVGTZQABUJBJE-UHFFFAOYSA-N -1 3 374.525 4.016 20 0 FIADHM COc1ccc(C(=O)N[C@@H](C)c2ccc(Oc3cccnc3)cc2)c([O-])c1 ZINC000436751044 1099284279 /nfs/dbraw/zinc/28/42/79/1099284279.db2.gz ZLRVQQDGLQWNGC-AWEZNQCLSA-N -1 3 364.401 4.079 20 0 FIADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436788312 1099321333 /nfs/dbraw/zinc/32/13/33/1099321333.db2.gz XAJCESCDZHIESO-QUCCMNQESA-N -1 3 366.461 4.149 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)c1[O-] ZINC000436815711 1099327861 /nfs/dbraw/zinc/32/78/61/1099327861.db2.gz PRZPMNCBWLOMLH-HNNXBMFYSA-N -1 3 354.450 4.340 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c([O-])c1 ZINC000436819012 1099329863 /nfs/dbraw/zinc/32/98/63/1099329863.db2.gz LYLPMWRWLDUAMT-IBGZPJMESA-N -1 3 359.853 4.383 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(CCCn3ccnc3)CC2)c([O-])c1 ZINC000436808147 1099334465 /nfs/dbraw/zinc/33/44/65/1099334465.db2.gz GVLSJAZMLFNXDH-UHFFFAOYSA-N -1 3 355.482 4.045 20 0 FIADHM CCc1ccc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c([O-])c1 ZINC000436833240 1099344240 /nfs/dbraw/zinc/34/42/40/1099344240.db2.gz VDKBYCVSLUJEHU-MRXNPFEDSA-N -1 3 355.434 4.205 20 0 FIADHM COc1cccc(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)c1[O-] ZINC000436826970 1099354551 /nfs/dbraw/zinc/35/45/51/1099354551.db2.gz CFXIMCNQTMUPNS-ZHACJKMWSA-N -1 3 352.415 4.280 20 0 FIADHM CCOc1ccc(C2=CCN(C(=O)c3ccc(CC)cc3[O-])CC2)cc1 ZINC000436838393 1099358134 /nfs/dbraw/zinc/35/81/34/1099358134.db2.gz KGHWQMCBKAAHHU-UHFFFAOYSA-N -1 3 351.446 4.283 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436843156 1099362719 /nfs/dbraw/zinc/36/27/19/1099362719.db2.gz GUTWKVFCTQWKFL-CYBMUJFWSA-N -1 3 365.351 4.136 20 0 FIADHM CC(C)(C)OC(=O)NCCc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212011053 1099375982 /nfs/dbraw/zinc/37/59/82/1099375982.db2.gz OSCMWXBJHXRYJL-UHFFFAOYSA-N -1 3 364.392 4.481 20 0 FIADHM Cc1ccc(C(=O)NCc2ccco2)cc1Nc1ccc([O-])c(F)c1F ZINC001212014070 1099379153 /nfs/dbraw/zinc/37/91/53/1099379153.db2.gz XUWPVEKFOYKYKG-UHFFFAOYSA-N -1 3 358.344 4.245 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccccc3OC(F)(F)F)no2)c1 ZINC000436893916 1099390822 /nfs/dbraw/zinc/39/08/22/1099390822.db2.gz PFIQVLFGADHXCD-UHFFFAOYSA-N -1 3 352.268 4.016 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)c([O-])c1 ZINC000436892154 1099409694 /nfs/dbraw/zinc/40/96/94/1099409694.db2.gz HYPFNPDZWPWVAU-UHFFFAOYSA-N -1 3 350.422 4.228 20 0 FIADHM Cc1ccc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)c([O-])c1 ZINC000436896229 1099421737 /nfs/dbraw/zinc/42/17/37/1099421737.db2.gz MHGZIALKHLBART-UHFFFAOYSA-N -1 3 351.337 4.136 20 0 FIADHM Cc1ccc(Cc2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)cn1 ZINC000436914031 1099429777 /nfs/dbraw/zinc/42/97/77/1099429777.db2.gz XTTWHURNZKXZMK-UHFFFAOYSA-N -1 3 373.412 4.315 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccccc2-n2cccn2)no1 ZINC000436915038 1099431238 /nfs/dbraw/zinc/43/12/38/1099431238.db2.gz OAGFMNAXRURTTN-UHFFFAOYSA-N -1 3 354.369 4.448 20 0 FIADHM CC(C)c1ccc(-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)c([O-])c1 ZINC000436932718 1099446312 /nfs/dbraw/zinc/44/63/12/1099446312.db2.gz DFMWMZPKKQUODZ-OAHLLOKOSA-N -1 3 363.417 4.086 20 0 FIADHM O=C([O-])c1ccc(CN2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC000263408443 1099788515 /nfs/dbraw/zinc/78/85/15/1099788515.db2.gz KPUJEQJDQMJLIT-INIZCTEOSA-N -1 3 360.251 4.137 20 0 FIADHM Cc1cnc(CCN(C)[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000516975882 1099964321 /nfs/dbraw/zinc/96/43/21/1099964321.db2.gz LQKFBSFUKVEIJG-AWEZNQCLSA-N -1 3 359.278 4.059 20 0 FIADHM CCCCc1oc2ccccc2c1CN[C@@H](CC(=O)[O-])c1ccncc1 ZINC000516980660 1099967239 /nfs/dbraw/zinc/96/72/39/1099967239.db2.gz BESBZFIJOKMWFR-SFHVURJKSA-N -1 3 352.434 4.476 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](c2cccnc2)C1 ZINC000517035691 1099996922 /nfs/dbraw/zinc/99/69/22/1099996922.db2.gz OVCQZWFXWXJBKZ-LRDDRELGSA-N -1 3 351.233 4.004 20 0 FIADHM Cc1csc(C2(NCc3cccc([O-])c3Br)CCC2)n1 ZINC000459411928 1100137514 /nfs/dbraw/zinc/13/75/14/1100137514.db2.gz OSCGRNVQVYQRPN-UHFFFAOYSA-N -1 3 353.285 4.089 20 0 FIADHM CC[C@](C)(NCc1cccc([O-])c1Br)c1nc(C)cs1 ZINC000459415321 1100141090 /nfs/dbraw/zinc/14/10/90/1100141090.db2.gz RGBDSFWAZDQCFP-HNNXBMFYSA-N -1 3 355.301 4.335 20 0 FIADHM CCCc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1Cc1ccccc1 ZINC000517560198 1100484119 /nfs/dbraw/zinc/48/41/19/1100484119.db2.gz WTMYFKUAVLAGQE-UHFFFAOYSA-N -1 3 369.852 4.495 20 0 FIADHM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473587423 1100553348 /nfs/dbraw/zinc/55/33/48/1100553348.db2.gz DQFRGFIFLCEYHA-AWEZNQCLSA-N -1 3 357.303 4.346 20 0 FIADHM COC(=O)c1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc2[nH]ccc21 ZINC000425973769 1100582886 /nfs/dbraw/zinc/58/28/86/1100582886.db2.gz ADJNLEZDIOEPSZ-UHFFFAOYSA-N -1 3 360.369 4.066 20 0 FIADHM Cc1ccc(CC2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)cc1C ZINC000517950398 1100815894 /nfs/dbraw/zinc/81/58/94/1100815894.db2.gz PDXBUDZTGDIMSW-UHFFFAOYSA-N -1 3 374.484 4.240 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c1Cl ZINC000517955964 1100824111 /nfs/dbraw/zinc/82/41/11/1100824111.db2.gz QOGYEEABKHWFCT-UHFFFAOYSA-N -1 3 366.216 4.059 20 0 FIADHM O=C(Nc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1)c1ccco1 ZINC000518054064 1100881773 /nfs/dbraw/zinc/88/17/73/1100881773.db2.gz GYHTUACFIOZKHM-UHFFFAOYSA-N -1 3 356.765 4.143 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(C)c1 ZINC000438806716 1100930846 /nfs/dbraw/zinc/93/08/46/1100930846.db2.gz BTXKNYZXVVACHL-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)c1Cl ZINC000518344117 1101121891 /nfs/dbraw/zinc/12/18/91/1101121891.db2.gz FHNFWEMPHHWQPZ-SNVBAGLBSA-N -1 3 364.319 4.273 20 0 FIADHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000473599987 1101170374 /nfs/dbraw/zinc/17/03/74/1101170374.db2.gz OWDJSZPCMDWOLJ-KBPBESRZSA-N -1 3 351.324 4.162 20 0 FIADHM Cc1nc(-c2cccc(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)c2)cs1 ZINC000439148931 1101204066 /nfs/dbraw/zinc/20/40/66/1101204066.db2.gz WDNLMKTWQDJEAS-UHFFFAOYSA-N -1 3 374.469 4.491 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CCC[C@H](O)C1 ZINC000439313073 1101325721 /nfs/dbraw/zinc/32/57/21/1101325721.db2.gz CNHZVECUROUNTH-JSGCOSHPSA-N -1 3 368.458 4.159 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c(C)c1 ZINC000537196109 1101528791 /nfs/dbraw/zinc/52/87/91/1101528791.db2.gz SZKCTFBADIQQAC-UHFFFAOYSA-N -1 3 351.493 4.225 20 0 FIADHM COCCN(C(=O)c1cc2sccc2c([O-])c1)[C@@H](C)c1ccccc1 ZINC001625957950 1101704806 /nfs/dbraw/zinc/70/48/06/1101704806.db2.gz XMKBRGCUCQVBAE-AWEZNQCLSA-N -1 3 355.459 4.457 20 0 FIADHM O=C(NC[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000518918323 1101736880 /nfs/dbraw/zinc/73/68/80/1101736880.db2.gz JWMYZWWBWOHTQK-ROUUACIJSA-N -1 3 360.457 4.232 20 0 FIADHM O=C(NC[C@@H]1CCCC[C@@H]1c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000518918324 1101737167 /nfs/dbraw/zinc/73/71/67/1101737167.db2.gz JWMYZWWBWOHTQK-ZWKOTPCHSA-N -1 3 360.457 4.232 20 0 FIADHM CCC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000102632811 1101890296 /nfs/dbraw/zinc/89/02/96/1101890296.db2.gz YWILEWWYMXUUPM-UHFFFAOYSA-N -1 3 360.479 4.171 20 0 FIADHM CCCN(CCC)C(=O)CCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476150613 1101988042 /nfs/dbraw/zinc/98/80/42/1101988042.db2.gz KIKUUTLNRYYFRH-UHFFFAOYSA-N -1 3 374.403 4.168 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc(-c2ccco2)s1 ZINC000476182832 1102022352 /nfs/dbraw/zinc/02/23/52/1102022352.db2.gz YKNPGNIZNAINIS-UHFFFAOYSA-N -1 3 354.309 4.380 20 0 FIADHM O=C([O-])c1cccc(CNCc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000263380273 1102102979 /nfs/dbraw/zinc/10/29/79/1102102979.db2.gz BLFWGMVSQQFYBV-UHFFFAOYSA-N -1 3 366.461 4.193 20 0 FIADHM CCOc1cc(CNc2ccc([C@@H](C)CC(N)=O)cc2)cc(Cl)c1[O-] ZINC000897837514 1102139495 /nfs/dbraw/zinc/13/94/95/1102139495.db2.gz DQDKCZQQNVRSRO-LBPRGKRZSA-N -1 3 362.857 4.035 20 0 FIADHM O=C([O-])c1cccc(CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000263463043 1102161920 /nfs/dbraw/zinc/16/19/20/1102161920.db2.gz JGTFHXNQSDRUFE-HNNXBMFYSA-N -1 3 366.244 4.345 20 0 FIADHM CCc1cc(=O)[n-]c(CSCc2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000532422532 1102286886 /nfs/dbraw/zinc/28/68/86/1102286886.db2.gz OXHGNQCHXIMDJG-UHFFFAOYSA-N -1 3 361.854 4.486 20 0 FIADHM Cc1nn(C(C)(C)C)c(C)c1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666586890 1102310226 /nfs/dbraw/zinc/31/02/26/1102310226.db2.gz ZLZDQBZACMWJLT-UHFFFAOYSA-N -1 3 369.509 4.333 20 0 FIADHM CCn1nc(CN2CCC(c3ccccc3C(=O)[O-])CC2)c2ccccc21 ZINC000666586627 1102311538 /nfs/dbraw/zinc/31/15/38/1102311538.db2.gz SGXGWZWEUOVFHC-UHFFFAOYSA-N -1 3 363.461 4.134 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1scnc1C1CC1 ZINC000121394649 1102375437 /nfs/dbraw/zinc/37/54/37/1102375437.db2.gz TXQHAXHOILVMFT-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM Cc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1Cl ZINC000532503921 1102433096 /nfs/dbraw/zinc/43/30/96/1102433096.db2.gz HUICLFAGSYIGFF-UHFFFAOYSA-N -1 3 369.646 4.438 20 0 FIADHM Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3[O-])c3c2CCC3)cc1 ZINC000111210282 1102478181 /nfs/dbraw/zinc/47/81/81/1102478181.db2.gz CCRICTIBNQVNPR-UHFFFAOYSA-N -1 3 367.836 4.281 20 0 FIADHM CCCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](C)c1ccccc1 ZINC000122032404 1102518552 /nfs/dbraw/zinc/51/85/52/1102518552.db2.gz NLPDHDLWKDRIED-OAHLLOKOSA-N -1 3 354.450 4.354 20 0 FIADHM CCC1([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCCCC1 ZINC001211918766 1102539370 /nfs/dbraw/zinc/53/93/70/1102539370.db2.gz CUAMXCQWXZIWSI-UHFFFAOYSA-N -1 3 350.509 4.201 20 0 FIADHM CCc1cccc(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c1[O-] ZINC000537641855 1102594486 /nfs/dbraw/zinc/59/44/86/1102594486.db2.gz BXZUMGSPQNNADC-UHFFFAOYSA-N -1 3 354.450 4.500 20 0 FIADHM CCOc1cc(CN2CCO[C@H](c3ccsc3)C2)cc(Cl)c1[O-] ZINC000459341803 1102865134 /nfs/dbraw/zinc/86/51/34/1102865134.db2.gz OLIBETZKOXWPIV-INIZCTEOSA-N -1 3 353.871 4.079 20 0 FIADHM CCCNC(=O)c1cccc(NCc2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000459347140 1102875962 /nfs/dbraw/zinc/87/59/62/1102875962.db2.gz KYYDXRYVRLEYRR-UHFFFAOYSA-N -1 3 362.857 4.196 20 0 FIADHM CC(C)(CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000426682250 1102916942 /nfs/dbraw/zinc/91/69/42/1102916942.db2.gz GYCLXNWSZPISKU-UHFFFAOYSA-N -1 3 358.385 4.029 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC001211948194 1102928210 /nfs/dbraw/zinc/92/82/10/1102928210.db2.gz GFPVLYMIMUGKLS-UHFFFAOYSA-N -1 3 359.378 4.105 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(OCC2CC2)cc1)c1ccc(Cl)c(F)c1 ZINC000426721214 1102940926 /nfs/dbraw/zinc/94/09/26/1102940926.db2.gz APXBJJTYEDTGAU-GOSISDBHSA-N -1 3 363.816 4.183 20 0 FIADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000506907086 1102943329 /nfs/dbraw/zinc/94/33/29/1102943329.db2.gz ANBWSBNAQVMRNK-GFCCVEGCSA-N -1 3 374.362 4.380 20 0 FIADHM Cc1cccc([C@H](NCc2cnn(-c3ccc(Cl)cc3)c2)C(=O)[O-])c1C ZINC000426734974 1102953698 /nfs/dbraw/zinc/95/36/98/1102953698.db2.gz CHYPNGXOZQTWBN-IBGZPJMESA-N -1 3 369.852 4.058 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000426741155 1102958401 /nfs/dbraw/zinc/95/84/01/1102958401.db2.gz KJBPIVPZRKKVSR-AWEZNQCLSA-N -1 3 354.631 4.018 20 0 FIADHM CCCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC ZINC000426743084 1102959537 /nfs/dbraw/zinc/95/95/37/1102959537.db2.gz RVEAPZXNKRHOIR-HXUWFJFHSA-N -1 3 357.450 4.016 20 0 FIADHM CCCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000426748391 1102965819 /nfs/dbraw/zinc/96/58/19/1102965819.db2.gz XAANXQHXGQAAIG-GOSISDBHSA-N -1 3 363.841 4.053 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000426752856 1102967954 /nfs/dbraw/zinc/96/79/54/1102967954.db2.gz FSWQIEPBYCOLPZ-QVKFZJNVSA-N -1 3 364.420 4.439 20 0 FIADHM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1cc(Cl)ccc1F ZINC000426750370 1102967983 /nfs/dbraw/zinc/96/79/83/1102967983.db2.gz MVWFERGZKUWXBK-OAHLLOKOSA-N -1 3 360.187 4.057 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(-c2ccncc2)cc1F)c1ccccc1 ZINC000426752857 1102968481 /nfs/dbraw/zinc/96/84/81/1102968481.db2.gz FSWQIEPBYCOLPZ-VFNWGFHPSA-N -1 3 364.420 4.439 20 0 FIADHM Cc1cc2[nH]c(CN[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cc2c(C)c1 ZINC000426753742 1102969521 /nfs/dbraw/zinc/96/95/21/1102969521.db2.gz KRHUJHDSBWXIMZ-GOSISDBHSA-N -1 3 360.816 4.493 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 ZINC000426755034 1102970506 /nfs/dbraw/zinc/97/05/06/1102970506.db2.gz WCRUHLHYQVYHKL-WBMJQRKESA-N -1 3 358.488 4.423 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000426760605 1102974088 /nfs/dbraw/zinc/97/40/88/1102974088.db2.gz SPQIUKOGDXEJTP-LIRRHRJNSA-N -1 3 369.852 4.077 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000426760603 1102974365 /nfs/dbraw/zinc/97/43/65/1102974365.db2.gz SPQIUKOGDXEJTP-IFXJQAMLSA-N -1 3 369.852 4.077 20 0 FIADHM COc1ccc(Oc2ccc(CN[C@H](C(=O)[O-])c3ccsc3)cc2)cc1 ZINC000426792408 1102995184 /nfs/dbraw/zinc/99/51/84/1102995184.db2.gz MGLSWBSGGVDLFD-IBGZPJMESA-N -1 3 369.442 4.465 20 0 FIADHM COc1ccc([C@H](NCc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1F ZINC000426801265 1102998160 /nfs/dbraw/zinc/99/81/60/1102998160.db2.gz TVWFZKSQORQSBP-NRFANRHFSA-N -1 3 365.404 4.417 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(OCC(C)C)c2)c1 ZINC000426802824 1103000103 /nfs/dbraw/zinc/00/01/03/1103000103.db2.gz XZHRCLOSHHYZCF-HXUWFJFHSA-N -1 3 357.450 4.036 20 0 FIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccccc2)sc1Br ZINC000426814171 1103008673 /nfs/dbraw/zinc/00/86/73/1103008673.db2.gz CYVFDMXRVZZVAF-CYBMUJFWSA-N -1 3 354.269 4.125 20 0 FIADHM Cc1cc(Br)c(CN(CCC(=O)[O-])CC2CC2)cc1Cl ZINC000629359823 1103019211 /nfs/dbraw/zinc/01/92/11/1103019211.db2.gz CGYQOTFINJYXFH-UHFFFAOYSA-N -1 3 360.679 4.098 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000426826521 1103024255 /nfs/dbraw/zinc/02/42/55/1103024255.db2.gz PGTXYWBNFOVLDX-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM O=C([O-])c1ccccc1CCNCc1cc(Cl)ccc1Br ZINC000315037240 1103138755 /nfs/dbraw/zinc/13/87/55/1103138755.db2.gz HPGYEOFDIIRQHP-UHFFFAOYSA-N -1 3 368.658 4.133 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000426995979 1103150380 /nfs/dbraw/zinc/15/03/80/1103150380.db2.gz VZYMKRHNDXRZBL-KGLIPLIRSA-N -1 3 368.177 4.142 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000507156146 1103174089 /nfs/dbraw/zinc/17/40/89/1103174089.db2.gz RJBGWOHXGNQBEB-UHFFFAOYSA-N -1 3 363.816 4.006 20 0 FIADHM [O-]c1ccc(F)c(CN2CCC(Oc3ccccc3Cl)CC2)c1F ZINC000507263606 1103259922 /nfs/dbraw/zinc/25/99/22/1103259922.db2.gz BYSFASPUSOJYMV-UHFFFAOYSA-N -1 3 353.796 4.367 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C ZINC000427320262 1103430812 /nfs/dbraw/zinc/43/08/12/1103430812.db2.gz KZWDZYIKWCDWMJ-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM O=c1ccnc(C(=Cc2cccc(Br)c2)Cc2ccccc2)[n-]1 ZINC000477400881 1103458023 /nfs/dbraw/zinc/45/80/23/1103458023.db2.gz CPKXSBNZKLWCLN-VBKFSLOCSA-N -1 3 367.246 4.316 20 0 FIADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1SC ZINC000477402145 1103461414 /nfs/dbraw/zinc/46/14/14/1103461414.db2.gz FENUICMYLGLNSA-LGMDPLHJSA-N -1 3 364.470 4.284 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(Br)cc2)Cc2ccccc2)[n-]1 ZINC000477418615 1103493813 /nfs/dbraw/zinc/49/38/13/1103493813.db2.gz XVSKNMYJJPPXIE-SSZFMOIBSA-N -1 3 367.246 4.316 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(Cl)cc1F ZINC000507585966 1103514305 /nfs/dbraw/zinc/51/43/05/1103514305.db2.gz SKDPANYNXWGIOY-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)o1 ZINC000112393111 1103609235 /nfs/dbraw/zinc/60/92/35/1103609235.db2.gz WNLIFRVKHIBTBY-UHFFFAOYSA-N -1 3 350.403 4.192 20 0 FIADHM CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc([O-])ccc3Cl)n2)cc1 ZINC000551849046 1103721194 /nfs/dbraw/zinc/72/11/94/1103721194.db2.gz PDUVQNKLEYUYJO-LLVKDONJSA-N -1 3 371.824 4.149 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000519734811 1103820835 /nfs/dbraw/zinc/82/08/35/1103820835.db2.gz UYDPJOIPEJZMSK-HXUWFJFHSA-N -1 3 356.429 4.278 20 0 FIADHM COc1ccccc1CCN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000519765763 1103837939 /nfs/dbraw/zinc/83/79/39/1103837939.db2.gz YWOLJXADXVPMLW-KRWDZBQOSA-N -1 3 368.260 4.302 20 0 FIADHM CC[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCS1 ZINC000440649238 1103853758 /nfs/dbraw/zinc/85/37/58/1103853758.db2.gz LFJFLLFMMIASAU-GOSISDBHSA-N -1 3 355.503 4.145 20 0 FIADHM O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc(Cl)ccc1[O-] ZINC000440940287 1104042596 /nfs/dbraw/zinc/04/25/96/1104042596.db2.gz NYBXXDBSXWXBQE-UHFFFAOYSA-N -1 3 362.760 4.190 20 0 FIADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440981860 1104053606 /nfs/dbraw/zinc/05/36/06/1104053606.db2.gz IFPDYAOTTKESFL-QMMMGPOBSA-N -1 3 361.266 4.095 20 0 FIADHM Cc1c(C(=O)[N-]c2c(F)cc(Cl)cc2F)nnn1-c1cccc(C)c1 ZINC000538248034 1104059227 /nfs/dbraw/zinc/05/92/27/1104059227.db2.gz YWOHCHBRTIGABS-UHFFFAOYSA-N -1 3 362.767 4.068 20 0 FIADHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440988931 1104062323 /nfs/dbraw/zinc/06/23/23/1104062323.db2.gz KTVCRQPDIMJPFR-SECBINFHSA-N -1 3 359.731 4.470 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000440993261 1104065652 /nfs/dbraw/zinc/06/56/52/1104065652.db2.gz VKIXUBAYLMJSIU-QWRGUYRKSA-N -1 3 357.278 4.431 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000440993259 1104065689 /nfs/dbraw/zinc/06/56/89/1104065689.db2.gz VKIXUBAYLMJSIU-MNOVXSKESA-N -1 3 357.278 4.431 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(-c3ccccc3OC)cc2)n1 ZINC000538258704 1104081691 /nfs/dbraw/zinc/08/16/91/1104081691.db2.gz CQJSSHCSSSOFKU-HNNXBMFYSA-N -1 3 363.461 4.271 20 0 FIADHM CCCN(C)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000520162538 1104128278 /nfs/dbraw/zinc/12/82/78/1104128278.db2.gz MYVMHXWDRUKERR-UHFFFAOYSA-N -1 3 363.255 4.253 20 0 FIADHM Cc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(OC(C)(C)C)c1 ZINC000441382826 1104305417 /nfs/dbraw/zinc/30/54/17/1104305417.db2.gz ODZNPZBLUGHSRA-UHFFFAOYSA-N -1 3 360.429 4.016 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)CC3CCCCC3)cc2)cc(=O)[n-]1 ZINC000328786520 1104568192 /nfs/dbraw/zinc/56/81/92/1104568192.db2.gz JEQSLCHAZIBDCM-UHFFFAOYSA-N -1 3 354.454 4.202 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3C3CCCC3)cc2)cc(=O)[n-]1 ZINC000328854884 1104580049 /nfs/dbraw/zinc/58/00/49/1104580049.db2.gz SYXXRZWNSATCEX-LJQANCHMSA-N -1 3 366.465 4.344 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c([O-])c1 ZINC000190231866 1104885931 /nfs/dbraw/zinc/88/59/31/1104885931.db2.gz VEQDHFPUIASTNE-UHFFFAOYSA-N -1 3 364.401 4.361 20 0 FIADHM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000520565003 1105001238 /nfs/dbraw/zinc/00/12/38/1105001238.db2.gz ZACBYOOHWXALKC-ZFWWWQNUSA-N -1 3 361.388 4.442 20 0 FIADHM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)NCc1csc(C2CC2)n1 ZINC000417628402 1105027798 /nfs/dbraw/zinc/02/77/98/1105027798.db2.gz WFPYSALGZQUHBP-CQSZACIVSA-N -1 3 371.289 4.113 20 0 FIADHM Cc1ccc(OCc2nc(CNC(C)(C)C[C@H](C)C(=O)[O-])cs2)cc1 ZINC000417638245 1105037455 /nfs/dbraw/zinc/03/74/55/1105037455.db2.gz OSIJIVPZADCLFW-AWEZNQCLSA-N -1 3 362.495 4.010 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccccc4)C(C)(C)C3)nc2)n1 ZINC000135577884 1105065060 /nfs/dbraw/zinc/06/50/60/1105065060.db2.gz BTXLICCAAGNSQI-IBGZPJMESA-N -1 3 374.488 4.024 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1C ZINC000441717920 1105116813 /nfs/dbraw/zinc/11/68/13/1105116813.db2.gz MNEFLAXGRMKVHK-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000520700774 1105124258 /nfs/dbraw/zinc/12/42/58/1105124258.db2.gz MQWDYONRFLWJNC-UHFFFAOYSA-N -1 3 360.479 4.070 20 0 FIADHM Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000614658864 1105145929 /nfs/dbraw/zinc/14/59/29/1105145929.db2.gz ZOCBBJMCTCNCHV-HNNXBMFYSA-N -1 3 353.466 4.227 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)c(C)c1 ZINC000427659903 1105240166 /nfs/dbraw/zinc/24/01/66/1105240166.db2.gz NAOKLNCEAMUJOO-UHFFFAOYSA-N -1 3 352.459 4.475 20 0 FIADHM CCC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)CC1 ZINC000427699742 1105250299 /nfs/dbraw/zinc/25/02/99/1105250299.db2.gz WKNIWEURVOWXOP-UHFFFAOYSA-N -1 3 372.490 4.233 20 0 FIADHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)no1 ZINC000507919239 1105267039 /nfs/dbraw/zinc/26/70/39/1105267039.db2.gz RCCICVXIMVZYPU-UHFFFAOYSA-N -1 3 358.410 4.026 20 0 FIADHM Cc1csc(C[N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)n1 ZINC000441815221 1105267910 /nfs/dbraw/zinc/26/79/10/1105267910.db2.gz XBPLROQPYATMFP-UHFFFAOYSA-N -1 3 372.924 4.107 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000427929614 1105317822 /nfs/dbraw/zinc/31/78/22/1105317822.db2.gz HEUKXZVLTKXVKQ-UONOGXRCSA-N -1 3 354.208 4.258 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2csc(-c3ccc(F)c(F)c3)n2)s1 ZINC000182676924 1106841499 /nfs/dbraw/zinc/84/14/99/1106841499.db2.gz VKPPVLJNYFKNEV-UHFFFAOYSA-N -1 3 366.418 4.316 20 0 FIADHM CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C ZINC001211897477 1106885738 /nfs/dbraw/zinc/88/57/38/1106885738.db2.gz WEZGQAJVBAYMCT-ZDUSSCGKSA-N -1 3 366.296 4.081 20 0 FIADHM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000532880870 1106887722 /nfs/dbraw/zinc/88/77/22/1106887722.db2.gz BRUOGILMKRRFRP-AWEZNQCLSA-N -1 3 361.388 4.444 20 0 FIADHM CCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(C)(C)C ZINC001211897559 1106889324 /nfs/dbraw/zinc/88/93/24/1106889324.db2.gz YYHRQVYVFFNJNO-NSHDSACASA-N -1 3 368.362 4.312 20 0 FIADHM O=C([O-])c1cccc(Cl)c1CN1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000530171391 1106902770 /nfs/dbraw/zinc/90/27/70/1106902770.db2.gz CSHQLKTUPVRSTF-OAQYLSRUSA-N -1 3 371.864 4.398 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000451170113 1106957184 /nfs/dbraw/zinc/95/71/84/1106957184.db2.gz IIUDPPBKTIIDED-QMMMGPOBSA-N -1 3 364.945 4.195 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3OC(F)F)nc2)n1 ZINC000301196704 1106960711 /nfs/dbraw/zinc/96/07/11/1106960711.db2.gz ZMYQGDWLWXRJIP-UHFFFAOYSA-N -1 3 372.375 4.020 20 0 FIADHM CCc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c([O-])c1 ZINC000530326186 1106968750 /nfs/dbraw/zinc/96/87/50/1106968750.db2.gz BHEWDGPKWISULI-IBGZPJMESA-N -1 3 363.461 4.209 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(c4cccc(F)c4)CC3)nc2)n1 ZINC000301374025 1107007633 /nfs/dbraw/zinc/00/76/33/1107007633.db2.gz VHSMPDBGCYBAAT-UHFFFAOYSA-N -1 3 364.424 4.089 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](c4ccccc4)[C@@H](C)C3)nc2)n1 ZINC000301442347 1107033066 /nfs/dbraw/zinc/03/30/66/1107033066.db2.gz IZXQRPPUCJDDTD-OXJNMPFZSA-N -1 3 374.488 4.437 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3Cc3ccccc3)nc2)n1 ZINC000301550703 1107066596 /nfs/dbraw/zinc/06/65/96/1107066596.db2.gz VHYKHCWTRRGWSZ-IBGZPJMESA-N -1 3 360.461 4.018 20 0 FIADHM Cc1csc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000451579518 1107191342 /nfs/dbraw/zinc/19/13/42/1107191342.db2.gz KWTVTJQGBYHXJF-ZDUSSCGKSA-N -1 3 363.426 4.071 20 0 FIADHM Fc1ccccc1[N-]c1nnc(Sc2nc(C3CC3)ns2)s1 ZINC000301921630 1107213224 /nfs/dbraw/zinc/21/32/24/1107213224.db2.gz FVQJLGOWHHFOHK-UHFFFAOYSA-N -1 3 351.457 4.301 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@@H](C)c3ccc(F)c(F)c3)nc2)n1 ZINC000301977555 1107236493 /nfs/dbraw/zinc/23/64/93/1107236493.db2.gz FLXPJVJJUUFUGS-LBPRGKRZSA-N -1 3 370.403 4.282 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000451674091 1107240862 /nfs/dbraw/zinc/24/08/62/1107240862.db2.gz XPAYMKKDQZNBHH-HXUWFJFHSA-N -1 3 363.379 4.162 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(Br)c1 ZINC000530678363 1107247983 /nfs/dbraw/zinc/24/79/83/1107247983.db2.gz QLNBTWQUZWDSPC-UHFFFAOYSA-N -1 3 371.028 4.170 20 0 FIADHM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451753945 1107299536 /nfs/dbraw/zinc/29/95/36/1107299536.db2.gz CHLQEUCLGWMMNA-GFCCVEGCSA-N -1 3 369.358 4.182 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000451775025 1107307590 /nfs/dbraw/zinc/30/75/90/1107307590.db2.gz CLDAMKHHQKUYDQ-UHFFFAOYSA-N -1 3 370.399 4.100 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3c(C)oc4ccccc43)nc2)n1 ZINC000302211047 1107340972 /nfs/dbraw/zinc/34/09/72/1107340972.db2.gz DCCNEVWNOMWDGG-UHFFFAOYSA-N -1 3 360.417 4.473 20 0 FIADHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000530937666 1107413072 /nfs/dbraw/zinc/41/30/72/1107413072.db2.gz CFNFKAAURACAOU-NSHDSACASA-N -1 3 364.239 4.296 20 0 FIADHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000452232507 1107554525 /nfs/dbraw/zinc/55/45/25/1107554525.db2.gz OZXZFUUIWUCVSO-OUCADQQQSA-N -1 3 361.379 4.432 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000475501458 1107565811 /nfs/dbraw/zinc/56/58/11/1107565811.db2.gz JWAYHHZBSRGAIE-UHFFFAOYSA-N -1 3 362.499 4.408 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531155404 1107613577 /nfs/dbraw/zinc/61/35/77/1107613577.db2.gz GFINLZQTCVZHKA-BDAKNGLRSA-N -1 3 366.177 4.462 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c(C)c1 ZINC000614762359 1107674366 /nfs/dbraw/zinc/67/43/66/1107674366.db2.gz NKKNRGJZFQVGJB-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000531253666 1107703828 /nfs/dbraw/zinc/70/38/28/1107703828.db2.gz AKGONANVLIFMFG-PWSUYJOCSA-N -1 3 368.177 4.175 20 0 FIADHM Cc1cc2cc([N-]S(=O)(=O)c3ccc(OC(C)C)c(C)c3)ccc2[nH]1 ZINC000614786894 1107769415 /nfs/dbraw/zinc/76/94/15/1107769415.db2.gz GZZLTCRIESVHOM-UHFFFAOYSA-N -1 3 358.463 4.373 20 0 FIADHM O=C([O-])c1coc(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000563965742 1107780553 /nfs/dbraw/zinc/78/05/53/1107780553.db2.gz ADXKTWAIYKDRKP-UHFFFAOYSA-N -1 3 353.340 4.376 20 0 FIADHM CCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1[O-] ZINC000531436115 1107884000 /nfs/dbraw/zinc/88/40/00/1107884000.db2.gz DIKVCPRBDWZPTQ-UHFFFAOYSA-N -1 3 364.401 4.361 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)c(C)c1 ZINC000523186429 1107972498 /nfs/dbraw/zinc/97/24/98/1107972498.db2.gz FOHAOZGSGBIPRS-UHFFFAOYSA-N -1 3 352.459 4.475 20 0 FIADHM COc1ccc(-c2cncc(C(=O)Nc3cc(Cl)ccc3[O-])c2)cc1 ZINC000531561537 1107982085 /nfs/dbraw/zinc/98/20/85/1107982085.db2.gz UMXBLMUXYKHURN-UHFFFAOYSA-N -1 3 354.793 4.369 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000444726873 1108137937 /nfs/dbraw/zinc/13/79/37/1108137937.db2.gz JDYLBLUEBKGEKQ-INIZCTEOSA-N -1 3 363.461 4.174 20 0 FIADHM C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4ccc([O-])c(F)c4)cc3c2C1 ZINC000523424272 1108210361 /nfs/dbraw/zinc/21/03/61/1108210361.db2.gz KTSRANXVNZNOGD-GFCCVEGCSA-N -1 3 352.409 4.067 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1cnn(-c2cccc(C)c2)c1C(F)(F)F ZINC000523660936 1108416115 /nfs/dbraw/zinc/41/61/15/1108416115.db2.gz XCXRVHVAMLPXON-UHFFFAOYSA-N -1 3 364.327 4.057 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000445134311 1108472142 /nfs/dbraw/zinc/47/21/42/1108472142.db2.gz JRISZWLXHIXURH-SFHVURJKSA-N -1 3 362.404 4.393 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC(F)F)c(OC)c2)CC)n1 ZINC000193618014 1108784717 /nfs/dbraw/zinc/78/47/17/1108784717.db2.gz LMXKNQGSHJUEFQ-UKTHLTGXSA-N -1 3 364.392 4.283 20 0 FIADHM CC(C)c1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)c([O-])c1 ZINC001625954854 1108797661 /nfs/dbraw/zinc/79/76/61/1108797661.db2.gz HIWLLKCNSXSWSL-UHFFFAOYSA-N -1 3 367.493 4.077 20 0 FIADHM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000016122031 1108825107 /nfs/dbraw/zinc/82/51/07/1108825107.db2.gz KEJZPNYZYTZOSA-UHFFFAOYSA-N -1 3 374.506 4.379 20 0 FIADHM Cc1ccc(CN(C)C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)s1 ZINC000524249828 1108924524 /nfs/dbraw/zinc/92/45/24/1108924524.db2.gz HTBTZMGSXREIPT-UHFFFAOYSA-N -1 3 368.462 4.191 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1Cl ZINC000524384298 1108988866 /nfs/dbraw/zinc/98/88/66/1108988866.db2.gz WYSKGTQPZXWBQB-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM Cc1ccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2)cc1 ZINC000445865031 1109025007 /nfs/dbraw/zinc/02/50/07/1109025007.db2.gz CFPNUMVFAYKEEP-HNNXBMFYSA-N -1 3 364.323 4.165 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)c3cccc(Cl)c3)cc2)n1 ZINC000524663578 1109110829 /nfs/dbraw/zinc/11/08/29/1109110829.db2.gz ZNVVWRUJMMZTLE-CYBMUJFWSA-N -1 3 367.836 4.141 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC(C(C)C)C(C)C)cc2)cc(=O)[n-]1 ZINC000446115105 1109119534 /nfs/dbraw/zinc/11/95/34/1109119534.db2.gz ZCCMMVHZCWFKQZ-UHFFFAOYSA-N -1 3 356.470 4.207 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c1 ZINC000525485650 1109400396 /nfs/dbraw/zinc/40/03/96/1109400396.db2.gz QZQKJAOKVRFFRC-UHFFFAOYSA-N -1 3 355.434 4.067 20 0 FIADHM Cc1cc2c(ncnc2SCc2noc(-c3ccccc3[O-])n2)s1 ZINC000447328186 1109515682 /nfs/dbraw/zinc/51/56/82/1109515682.db2.gz YXFLMFNBPZLBEC-UHFFFAOYSA-N -1 3 356.432 4.048 20 0 FIADHM CC(C)Oc1ccc(CCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000527038746 1109674012 /nfs/dbraw/zinc/67/40/12/1109674012.db2.gz AJJXEEJZUUDJOO-UHFFFAOYSA-N -1 3 359.441 4.000 20 0 FIADHM O=C(N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)c1cccc2n[n-]nc21 ZINC000527362074 1109749663 /nfs/dbraw/zinc/74/96/63/1109749663.db2.gz MFOUJGVWJDIXBE-HIFRSBDPSA-N -1 3 374.366 4.043 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](CC)CC(F)(F)F)c2)n1 ZINC000448724556 1109873034 /nfs/dbraw/zinc/87/30/34/1109873034.db2.gz LRIUMGOYDUWQGI-NSHDSACASA-N -1 3 367.371 4.329 20 0 FIADHM C[C@H](c1ccco1)N(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000528148083 1109925274 /nfs/dbraw/zinc/92/52/74/1109925274.db2.gz OAMNQQOKENOJIL-SNVBAGLBSA-N -1 3 350.212 4.114 20 0 FIADHM C[C@@H]1CC[C@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)O1 ZINC000528228880 1109940599 /nfs/dbraw/zinc/94/05/99/1109940599.db2.gz DDONXEVJMHXEAC-FZKQIMNGSA-N -1 3 352.390 4.261 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000448952155 1109941459 /nfs/dbraw/zinc/94/14/59/1109941459.db2.gz DUKZWRCCDBNAMP-UHFFFAOYSA-N -1 3 370.399 4.100 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000448935512 1109944410 /nfs/dbraw/zinc/94/44/10/1109944410.db2.gz AEXSFAQOGMJSMT-IBGZPJMESA-N -1 3 352.409 4.309 20 0 FIADHM COCCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000529635194 1110297028 /nfs/dbraw/zinc/29/70/28/1110297028.db2.gz RXMJRZCIXHKVES-UHFFFAOYSA-N -1 3 355.434 4.073 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(CC(C)(C)C)cs3)c[n-]c12 ZINC000538479474 1111151799 /nfs/dbraw/zinc/15/17/99/1111151799.db2.gz PAJAOPGGKMHFFK-UHFFFAOYSA-N -1 3 373.453 4.273 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1 ZINC000667100233 1111180596 /nfs/dbraw/zinc/18/05/96/1111180596.db2.gz PTUAAIOABUXJRQ-UHFFFAOYSA-N -1 3 371.502 4.415 20 0 FIADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000461435553 1111220408 /nfs/dbraw/zinc/22/04/08/1111220408.db2.gz YEDRHUOKUMJYRR-RRBXVBTKSA-N -1 3 366.848 4.309 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3CC4(C3)CCCCC4)cc2)n1 ZINC000667199624 1111418163 /nfs/dbraw/zinc/41/81/63/1111418163.db2.gz RBQGIOZZQMSHIP-UHFFFAOYSA-N -1 3 351.450 4.044 20 0 FIADHM Cc1csc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1Cl ZINC000477818053 1111564327 /nfs/dbraw/zinc/56/43/27/1111564327.db2.gz GQDPRBSKSZAPDE-UHFFFAOYSA-N -1 3 353.781 4.052 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2cccc(CSC3CCOCC3)c2)c1 ZINC000552129379 1111594778 /nfs/dbraw/zinc/59/47/78/1111594778.db2.gz NQAFFNDZXBILBX-UHFFFAOYSA-N -1 3 373.474 4.065 20 0 FIADHM CC(=O)c1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1[O-] ZINC000552286134 1111649217 /nfs/dbraw/zinc/64/92/17/1111649217.db2.gz KLWLNGJQUQYQJR-UHFFFAOYSA-N -1 3 352.217 4.473 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ncc(-c2cccnc2)s1 ZINC000552757245 1111799708 /nfs/dbraw/zinc/79/97/08/1111799708.db2.gz DTUWVHWSIQWGFW-UHFFFAOYSA-N -1 3 357.410 4.011 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3OCC(C)C)c[n-]c12 ZINC000553191089 1111923584 /nfs/dbraw/zinc/92/35/84/1111923584.db2.gz ALCBPPSOXWXRSD-UHFFFAOYSA-N -1 3 368.408 4.263 20 0 FIADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2C1 ZINC000479139393 1111952615 /nfs/dbraw/zinc/95/26/15/1111952615.db2.gz AOVQXVINUCFPQJ-MRXNPFEDSA-N -1 3 358.507 4.300 20 0 FIADHM O=C(Nc1ccc2nc(C(F)F)sc2c1)c1c[n-]c2ccccc2c1=O ZINC000553655819 1112039456 /nfs/dbraw/zinc/03/94/56/1112039456.db2.gz NAYJONWKIIGHTG-UHFFFAOYSA-N -1 3 371.368 4.328 20 0 FIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)cc1 ZINC000479566490 1112074157 /nfs/dbraw/zinc/07/41/57/1112074157.db2.gz DMAMSBRBYXZKOH-UHFFFAOYSA-N -1 3 358.463 4.022 20 0 FIADHM O=C([O-])CC1CCN([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000567173245 1112229104 /nfs/dbraw/zinc/22/91/04/1112229104.db2.gz STVDANSKSKITAQ-MRXNPFEDSA-N -1 3 352.272 4.013 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c(F)c1 ZINC000480199591 1112323883 /nfs/dbraw/zinc/32/38/83/1112323883.db2.gz PTSAOYIVLLIHRE-UHFFFAOYSA-N -1 3 373.833 4.076 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N(Cc1ccccc1)Cc1ccccc1F ZINC000554535925 1112387353 /nfs/dbraw/zinc/38/73/53/1112387353.db2.gz YVMPWWUNXKRBFP-UHFFFAOYSA-N -1 3 374.419 4.130 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000554535792 1112387425 /nfs/dbraw/zinc/38/74/25/1112387425.db2.gz DTIWLCGPSAHRFZ-UHFFFAOYSA-N -1 3 374.419 4.130 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccccc3SC)nc2)n1 ZINC000480549496 1112471285 /nfs/dbraw/zinc/47/12/85/1112471285.db2.gz FVEMXYXYQUAACY-UHFFFAOYSA-N -1 3 366.490 4.165 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3scc(C)c3Cl)s2)cc1 ZINC000480590680 1112494174 /nfs/dbraw/zinc/49/41/74/1112494174.db2.gz FSRJXLPCKXMQJH-UHFFFAOYSA-N -1 3 365.867 4.489 20 0 FIADHM CC(C)n1ccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)n1 ZINC000843804478 1112562506 /nfs/dbraw/zinc/56/25/06/1112562506.db2.gz GOLDBMKRMUVCOF-UHFFFAOYSA-N -1 3 362.207 4.179 20 0 FIADHM Cc1nc(-c2ccccc2C)sc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000481556910 1112980315 /nfs/dbraw/zinc/98/03/15/1112980315.db2.gz LZFDFRZONURXAD-UHFFFAOYSA-N -1 3 366.418 4.468 20 0 FIADHM Cc1ccc(-c2nsc(NC(=O)c3cc([O-])ccc3Cl)n2)s1 ZINC000555863389 1113030822 /nfs/dbraw/zinc/03/08/22/1113030822.db2.gz CJYSSKZBUGMMRN-UHFFFAOYSA-N -1 3 351.840 4.186 20 0 FIADHM Cc1ccc(O[C@@H]2CCCN(Cc3ccc(Cl)cc3C(=O)[O-])C2)cc1 ZINC001142657212 1113097073 /nfs/dbraw/zinc/09/70/73/1113097073.db2.gz QQQMGAJUTJOGIW-GOSISDBHSA-N -1 3 359.853 4.390 20 0 FIADHM CC(C)CCOc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486004854 1113487558 /nfs/dbraw/zinc/48/75/58/1113487558.db2.gz MRLVDGLHAKOYDG-UTCJRWHESA-N -1 3 361.445 4.427 20 0 FIADHM Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1Br ZINC000486073083 1113501701 /nfs/dbraw/zinc/50/17/01/1113501701.db2.gz BWVRTCPWLMVPGL-RQOWECAXSA-N -1 3 368.234 4.073 20 0 FIADHM O=c1cc(C=Cc2csc(-c3ccccc3)n2)nc(-c2ccncc2)[n-]1 ZINC000486104133 1113506140 /nfs/dbraw/zinc/50/61/40/1113506140.db2.gz SMNQLJUHWRXGNF-VOTSOKGWSA-N -1 3 358.426 4.126 20 0 FIADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486430879 1113567253 /nfs/dbraw/zinc/56/72/53/1113567253.db2.gz OVOKIYSUVNSNRP-UXIGCNINSA-N -1 3 367.287 4.017 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccc(C)cc4)C[C@H]3C)nc2)n1 ZINC000486469377 1113574630 /nfs/dbraw/zinc/57/46/30/1113574630.db2.gz UPAYQWSJWGITAC-APWZRJJASA-N -1 3 374.488 4.497 20 0 FIADHM COc1cc(C(=O)NCC2CCC(c3ccccc3)CC2)cc(OC)c1[O-] ZINC000488135875 1113861178 /nfs/dbraw/zinc/86/11/78/1113861178.db2.gz CEXPYJGIKVYGEB-UHFFFAOYSA-N -1 3 369.461 4.113 20 0 FIADHM C[C@@]1(C(=O)NCc2ccc([O-])c(Br)c2)CCCc2ccccc21 ZINC000488665973 1113968868 /nfs/dbraw/zinc/96/88/68/1113968868.db2.gz NMZXTWGFMZFJNH-LJQANCHMSA-N -1 3 374.278 4.065 20 0 FIADHM CC(C)[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000488658604 1113971727 /nfs/dbraw/zinc/97/17/27/1113971727.db2.gz KNCGIQLYWNCRPG-KRWDZBQOSA-N -1 3 362.267 4.211 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)C1(Cc2ccccc2)CCC1 ZINC000488677254 1113974523 /nfs/dbraw/zinc/97/45/23/1113974523.db2.gz RTNVGHNAGWMZAS-UHFFFAOYSA-N -1 3 374.278 4.184 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cc(C(F)(F)F)ccc1F ZINC000488820386 1114000100 /nfs/dbraw/zinc/00/01/00/1114000100.db2.gz GIGVLVYDHFIMML-UHFFFAOYSA-N -1 3 373.780 4.038 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1ccc(F)cc1C(F)(F)F ZINC000488822101 1114000263 /nfs/dbraw/zinc/00/02/63/1114000263.db2.gz JSGVCQWJYBDMCK-UHFFFAOYSA-N -1 3 373.780 4.038 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1C(F)(F)F ZINC000488826109 1114000933 /nfs/dbraw/zinc/00/09/33/1114000933.db2.gz SHGONRXGJFGOTN-INIZCTEOSA-N -1 3 373.371 4.274 20 0 FIADHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)o1 ZINC000490616701 1114307835 /nfs/dbraw/zinc/30/78/35/1114307835.db2.gz GEOROCKMUZHIPY-UHFFFAOYSA-N -1 3 370.902 4.191 20 0 FIADHM O=C([O-])c1cccc(OCCN2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000571451782 1114464766 /nfs/dbraw/zinc/46/47/66/1114464766.db2.gz AEABTRJGAJJWKQ-OAQYLSRUSA-N -1 3 364.445 4.472 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000572006758 1114597729 /nfs/dbraw/zinc/59/77/29/1114597729.db2.gz JLMQZYPWWDRGCW-RDJZCZTQSA-N -1 3 358.265 4.012 20 0 FIADHM [O-]c1ccc(Br)cc1/C=N/CC1(c2ccccc2)CCOCC1 ZINC000032070073 1114613335 /nfs/dbraw/zinc/61/33/35/1114613335.db2.gz DVZCKMMYLWUSFU-FYJGNVAPSA-N -1 3 374.278 4.322 20 0 FIADHM O=S(=O)([N-][C@H]1CCc2sc(Cl)cc21)c1cc(F)ccc1Cl ZINC000572888690 1114804585 /nfs/dbraw/zinc/80/45/85/1114804585.db2.gz HVPNODDYUPPVOO-JTQLQIEISA-N -1 3 366.266 4.160 20 0 FIADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000589943890 1114871003 /nfs/dbraw/zinc/87/10/03/1114871003.db2.gz KLVVJIBBJRNQGT-UHFFFAOYSA-N -1 3 369.284 4.370 20 0 FIADHM O=C([O-])c1sccc1CN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000572967978 1114939718 /nfs/dbraw/zinc/93/97/18/1114939718.db2.gz WNTZWCICYZKKFO-LBPRGKRZSA-N -1 3 372.273 4.406 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](c2ccncc2)C1 ZINC000572973484 1114940188 /nfs/dbraw/zinc/94/01/88/1114940188.db2.gz YLLKDCKIQJZVDJ-OAQYLSRUSA-N -1 3 372.468 4.202 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3csc(CC(C)C)n3)n2)cc1 ZINC000590681312 1114962971 /nfs/dbraw/zinc/96/29/71/1114962971.db2.gz GKZKVKQNZLMMEB-UHFFFAOYSA-N -1 3 374.491 4.121 20 0 FIADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cnc(-c2ccco2)s1 ZINC000590962337 1114997273 /nfs/dbraw/zinc/99/72/73/1114997273.db2.gz INFPXPLENJOLAY-UHFFFAOYSA-N -1 3 370.821 4.121 20 0 FIADHM Cc1oc(-c2ccccc2)nc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000591379689 1115072434 /nfs/dbraw/zinc/07/24/34/1115072434.db2.gz JIOAWVODVAYMSQ-UHFFFAOYSA-N -1 3 353.447 4.456 20 0 FIADHM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1cc(F)ccc1Cl ZINC000591392728 1115077268 /nfs/dbraw/zinc/07/72/68/1115077268.db2.gz XDTINPSWCHADLJ-QGZVFWFLSA-N -1 3 353.846 4.299 20 0 FIADHM Cc1ccc(-c2nnc([C@@H](C)SCc3cc(=O)[n-]c(C4CC4)n3)o2)cc1 ZINC000591405115 1115078747 /nfs/dbraw/zinc/07/87/47/1115078747.db2.gz SOABDUZMFRUMGM-GFCCVEGCSA-N -1 3 368.462 4.412 20 0 FIADHM Cc1nc(-c2ccc(N(C)Cc3c(F)cccc3Cl)nc2)[n-]c(=O)c1C ZINC000592454409 1115233168 /nfs/dbraw/zinc/23/31/68/1115233168.db2.gz LRUOMNDYDGIILD-UHFFFAOYSA-N -1 3 372.831 4.290 20 0 FIADHM O=C(OCc1csc(Cc2ccc(Cl)cc2)n1)c1ccc([O-])cc1 ZINC000058651212 1115296438 /nfs/dbraw/zinc/29/64/38/1115296438.db2.gz NBDZYAKFLWYSMS-UHFFFAOYSA-N -1 3 359.834 4.450 20 0 FIADHM O=C([O-])[C@@H](CCc1ccccc1)NCc1c(Cl)cccc1OC(F)F ZINC000669475943 1115298892 /nfs/dbraw/zinc/29/88/92/1115298892.db2.gz RTOFOWVNPYBPLX-OAHLLOKOSA-N -1 3 369.795 4.117 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000669478933 1115308345 /nfs/dbraw/zinc/30/83/45/1115308345.db2.gz TZZRRNUJQLBFAM-ZOCIIQOWSA-N -1 3 369.461 4.275 20 0 FIADHM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000597205543 1115649726 /nfs/dbraw/zinc/64/97/26/1115649726.db2.gz JVMUHBLKIKIQRJ-INIZCTEOSA-N -1 3 367.232 4.294 20 0 FIADHM CC(C)(C)OC(=O)C1(C(=O)Nc2cccc([O-])c2F)CCCCCC1 ZINC000597452760 1115666000 /nfs/dbraw/zinc/66/60/00/1115666000.db2.gz JTSLBFPGTMAZJU-UHFFFAOYSA-N -1 3 351.418 4.152 20 0 FIADHM COc1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1SC ZINC000597961298 1115699300 /nfs/dbraw/zinc/69/93/00/1115699300.db2.gz GLLPJNUMQYBBTI-UHFFFAOYSA-N -1 3 371.502 4.218 20 0 FIADHM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)O1 ZINC000669712333 1115856813 /nfs/dbraw/zinc/85/68/13/1115856813.db2.gz WZKCFTGZSFEMKX-IUUKEHGRSA-N -1 3 368.458 4.421 20 0 FIADHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(C)c3)nc(=O)c2c1C ZINC000229927257 1115872933 /nfs/dbraw/zinc/87/29/33/1115872933.db2.gz ZFXNGSWYGVESRL-XYOKQWHBSA-N -1 3 374.849 4.125 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1sc2cc(F)ccc2c1Cl ZINC000606536653 1115953919 /nfs/dbraw/zinc/95/39/19/1115953919.db2.gz LPCRLXANXYAOCG-UHFFFAOYSA-N -1 3 353.777 4.469 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000606645107 1115960410 /nfs/dbraw/zinc/96/04/10/1115960410.db2.gz TZUGECLXMDMDNP-IBGZPJMESA-N -1 3 360.404 4.401 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000606645108 1115960547 /nfs/dbraw/zinc/96/05/47/1115960547.db2.gz TZUGECLXMDMDNP-LJQANCHMSA-N -1 3 360.404 4.401 20 0 FIADHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000607616058 1116049501 /nfs/dbraw/zinc/04/95/01/1116049501.db2.gz RMBPBHZQAOQVSV-UHFFFAOYSA-N -1 3 356.447 4.213 20 0 FIADHM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000607888692 1116073436 /nfs/dbraw/zinc/07/34/36/1116073436.db2.gz QXEUQWJFPFXNBV-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1cccc2ccccc21 ZINC000063504693 1116075793 /nfs/dbraw/zinc/07/57/93/1116075793.db2.gz LEYBUNFSEGXDHG-MRXNPFEDSA-N -1 3 374.440 4.254 20 0 FIADHM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1cc(F)ccc1Cl ZINC000608036689 1116078914 /nfs/dbraw/zinc/07/89/14/1116078914.db2.gz VCSFTIHLXQBVKV-MRXNPFEDSA-N -1 3 353.846 4.299 20 0 FIADHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000608030783 1116078940 /nfs/dbraw/zinc/07/89/40/1116078940.db2.gz GQJKBYGKMNQBLQ-HOCLYGCPSA-N -1 3 356.274 4.002 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000516576661 1116162083 /nfs/dbraw/zinc/16/20/83/1116162083.db2.gz XLRLBALDOIVHCL-HUUCEWRRSA-N -1 3 350.245 4.294 20 0 FIADHM CSc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1F ZINC000534305820 1116182599 /nfs/dbraw/zinc/18/25/99/1116182599.db2.gz XJTPTTAIVGIYFK-UHFFFAOYSA-N -1 3 356.216 4.268 20 0 FIADHM CCc1c(C)nn(-c2cccc(C(=O)Nc3cccc([O-])c3F)c2)c1C ZINC000535043744 1116262300 /nfs/dbraw/zinc/26/23/00/1116262300.db2.gz FAXAAIBQTHBOQL-UHFFFAOYSA-N -1 3 353.397 4.149 20 0 FIADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2ccccc2)CCCC3)on1 ZINC000503065775 1116287830 /nfs/dbraw/zinc/28/78/30/1116287830.db2.gz AQEXSTOTWVVLCZ-UHFFFAOYSA-N -1 3 366.442 4.407 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2Br)c1Cl ZINC000539408327 1116332846 /nfs/dbraw/zinc/33/28/46/1116332846.db2.gz DQURGQLJHLOWKP-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM CSc1ccc(C)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000539528920 1116338452 /nfs/dbraw/zinc/33/84/52/1116338452.db2.gz LEKCJEWFHSTVMT-UHFFFAOYSA-N -1 3 356.422 4.258 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000462378345 1116341597 /nfs/dbraw/zinc/34/15/97/1116341597.db2.gz CPPGZTWKLMIDDD-INIZCTEOSA-N -1 3 358.507 4.156 20 0 FIADHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000462430766 1116348532 /nfs/dbraw/zinc/34/85/32/1116348532.db2.gz UPCIDEFDKVSPHF-PWSUYJOCSA-N -1 3 366.346 4.066 20 0 FIADHM O=S(=O)([N-]Cc1ccc(C(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000462683651 1116390290 /nfs/dbraw/zinc/39/02/90/1116390290.db2.gz ZZTDTTVOFHFFPU-UHFFFAOYSA-N -1 3 366.216 4.410 20 0 FIADHM C[C@@H](c1ccccc1)N1CCC(N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000462841587 1117799945 /nfs/dbraw/zinc/79/99/45/1117799945.db2.gz PUHPDCKTNYLQHC-INIZCTEOSA-N -1 3 364.518 4.265 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@@H]3C(C)C)cc2)cc1 ZINC000463229718 1118037639 /nfs/dbraw/zinc/03/76/39/1118037639.db2.gz DALZEEPQWPAAGL-MOPGFXCFSA-N -1 3 372.490 4.026 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C[C@@H]2C[C@H]2C)cc1 ZINC000463464612 1118170811 /nfs/dbraw/zinc/17/08/11/1118170811.db2.gz NCZROMXMRZGZJQ-CVEARBPZSA-N -1 3 372.490 4.089 20 0 FIADHM CC(C)c1csc2nc(-c3ccc(OCC(F)F)nc3)[n-]c(=O)c12 ZINC000541260167 1118444143 /nfs/dbraw/zinc/44/41/43/1118444143.db2.gz ZHGWCANIWIHACH-UHFFFAOYSA-N -1 3 351.378 4.226 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000541260308 1118444581 /nfs/dbraw/zinc/44/45/81/1118444581.db2.gz ARRLMJDFXFZQGM-HNNXBMFYSA-N -1 3 354.454 4.058 20 0 FIADHM Cc1nc(C)c(CC(=O)N(CCC(C)C)[C@H](C)CCCC(C)C)c(=O)[n-]1 ZINC000464273993 1118508221 /nfs/dbraw/zinc/50/82/21/1118508221.db2.gz FPFDVCCYZUZDNA-MRXNPFEDSA-N -1 3 363.546 4.431 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC3(CC(C)C)CCC3)cc2)cc(=O)[n-]1 ZINC000464906011 1118749601 /nfs/dbraw/zinc/74/96/01/1118749601.db2.gz LUGRHUVXCJHPST-UHFFFAOYSA-N -1 3 368.481 4.496 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(Oc2ccccc2)ccn1 ZINC000465079329 1118816554 /nfs/dbraw/zinc/81/65/54/1118816554.db2.gz IJDXLILYFWVUKG-UHFFFAOYSA-N -1 3 364.386 4.238 20 0 FIADHM CC(C)(C)n1cnc([N-]C(=O)c2csc(-c3cccc(Cl)c3)n2)n1 ZINC000542248870 1118867360 /nfs/dbraw/zinc/86/73/60/1118867360.db2.gz WADVAOHKNUTMGF-UHFFFAOYSA-N -1 3 361.858 4.062 20 0 FIADHM COc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)c1[O-] ZINC000303204840 1118868900 /nfs/dbraw/zinc/86/89/00/1118868900.db2.gz MVDVZSWZDLYQNQ-UHFFFAOYSA-N -1 3 360.460 4.455 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)C/C(C)=C/c3ccccc3)nc2)n1 ZINC000491813617 1118985338 /nfs/dbraw/zinc/98/53/38/1118985338.db2.gz LZTHGOAFQUSOHQ-FOWTUZBSSA-N -1 3 360.461 4.346 20 0 FIADHM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913806210 1119009424 /nfs/dbraw/zinc/00/94/24/1119009424.db2.gz KDCRODUPZLEDSO-INIZCTEOSA-N -1 3 371.868 4.121 20 0 FIADHM O=C(Nc1ccccc1NC1CCCCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000913947305 1119134824 /nfs/dbraw/zinc/13/48/24/1119134824.db2.gz XVTILFHWMNWHKS-UHFFFAOYSA-N -1 3 352.438 4.057 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ncsc2C2CC2)s1 ZINC000914121602 1119293680 /nfs/dbraw/zinc/29/36/80/1119293680.db2.gz OFSOIYJFOGHKSA-UHFFFAOYSA-N -1 3 366.468 4.076 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000177913806 1119360632 /nfs/dbraw/zinc/36/06/32/1119360632.db2.gz OFLZUSIQEPASIV-CYBMUJFWSA-N -1 3 354.479 4.041 20 0 FIADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000007409102 1119480533 /nfs/dbraw/zinc/48/05/33/1119480533.db2.gz VASQQLNPMXVRNP-UHFFFAOYSA-N -1 3 355.406 4.386 20 0 FIADHM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000152828956 1119517899 /nfs/dbraw/zinc/51/78/99/1119517899.db2.gz HQONTKUEJKEWKQ-SFHVURJKSA-N -1 3 372.469 4.058 20 0 FIADHM CN(C(=O)Cc1ccc(NCc2cc([O-])cc(F)c2)cc1)c1ccccc1 ZINC000185482520 1119665946 /nfs/dbraw/zinc/66/59/46/1119665946.db2.gz MGMPEEOYFVNKKU-UHFFFAOYSA-N -1 3 364.420 4.349 20 0 FIADHM O=C(Cc1ccccc1)Nc1cc(NCc2cc([O-])cc(F)c2)ccc1F ZINC000186404404 1119726864 /nfs/dbraw/zinc/72/68/64/1119726864.db2.gz PVAYFNRCRSARNO-UHFFFAOYSA-N -1 3 368.383 4.464 20 0 FIADHM CCc1ccc(-c2nc(CSc3ncc(C(=O)OC)[n-]3)cs2)cc1 ZINC000187585038 1119790776 /nfs/dbraw/zinc/79/07/76/1119790776.db2.gz SZHWQHVQMPAJNO-UHFFFAOYSA-N -1 3 359.476 4.175 20 0 FIADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000494321839 1119832294 /nfs/dbraw/zinc/83/22/94/1119832294.db2.gz ZDXWNBOHSBTFTH-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000494322847 1119832399 /nfs/dbraw/zinc/83/23/99/1119832399.db2.gz MLINKAMZXNLAAA-MRVPVSSYSA-N -1 3 364.216 4.393 20 0 FIADHM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000914506518 1120296310 /nfs/dbraw/zinc/29/63/10/1120296310.db2.gz AFYKKDBMOVWDSZ-UHFFFAOYSA-N -1 3 353.340 4.082 20 0 FIADHM FC(F)(F)c1nc([N-][C@@H](c2ccccn2)C(F)(F)F)ncc1Cl ZINC001168480605 1120541101 /nfs/dbraw/zinc/54/11/01/1120541101.db2.gz YKWNTKCKZNTPEE-VIFPVBQESA-N -1 3 356.657 4.259 20 0 FIADHM FC(F)(F)[C@@H]([N-]c1ncc2c(n1)-c1ccccc1OC2)c1ccccn1 ZINC001168481762 1120557730 /nfs/dbraw/zinc/55/77/30/1120557730.db2.gz RZEMPUSRVLHDCY-INIZCTEOSA-N -1 3 358.323 4.147 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)NC1CCCCCC1 ZINC000914890989 1120627704 /nfs/dbraw/zinc/62/77/04/1120627704.db2.gz GRAMIWGSLOSERF-INIZCTEOSA-N -1 3 362.495 4.250 20 0 FIADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000914892250 1120630420 /nfs/dbraw/zinc/63/04/20/1120630420.db2.gz WEFINZMVSIKRJJ-CXAGYDPISA-N -1 3 370.474 4.288 20 0 FIADHM CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1OC(F)F ZINC000053482460 1120654999 /nfs/dbraw/zinc/65/49/99/1120654999.db2.gz QJZMXHHHJYGLJS-AWEZNQCLSA-N -1 3 372.371 4.011 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C(C)C)n3)nc(=O)c2c1C ZINC000762044234 1120669493 /nfs/dbraw/zinc/66/94/93/1120669493.db2.gz FBKVDCDAVNMESM-LLVKDONJSA-N -1 3 371.462 4.450 20 0 FIADHM CCOC(=O)C(=C([O-])CSc1ccc(C)cc1C)c1nc(C)cs1 ZINC000495331436 1120672922 /nfs/dbraw/zinc/67/29/22/1120672922.db2.gz IBDMETZXFRKUPT-MRXNPFEDSA-N -1 3 363.504 4.076 20 0 FIADHM Cc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)c(Br)c1 ZINC000762316565 1120868332 /nfs/dbraw/zinc/86/83/32/1120868332.db2.gz GPIHLBUMOGYJDZ-FPLPWBNLSA-N -1 3 350.187 4.254 20 0 FIADHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1C1CC1 ZINC000762477093 1120914532 /nfs/dbraw/zinc/91/45/32/1120914532.db2.gz TTZUKMCEIGATCN-CQSZACIVSA-N -1 3 371.506 4.461 20 0 FIADHM COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3[O-])n2)cc1OC ZINC000029121856 1121029975 /nfs/dbraw/zinc/02/99/75/1121029975.db2.gz RVRLFLVHTNFCGK-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3cccs3)c2)n1 ZINC000915741444 1121045777 /nfs/dbraw/zinc/04/57/77/1121045777.db2.gz WMWYRYFNCMLCQD-HJWRWDBZSA-N -1 3 351.431 4.125 20 0 FIADHM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000265600500 1121060903 /nfs/dbraw/zinc/06/09/03/1121060903.db2.gz DKEWZYQWQLDKNB-VFNWGFHPSA-N -1 3 367.493 4.040 20 0 FIADHM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1sccc1Cl ZINC000496068292 1121061508 /nfs/dbraw/zinc/06/15/08/1121061508.db2.gz FPVXEYJRIJCSLQ-UHFFFAOYSA-N -1 3 372.759 4.458 20 0 FIADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1C(=O)NC(C)C ZINC000472106188 1121181175 /nfs/dbraw/zinc/18/11/75/1121181175.db2.gz NWGCQTMDALFWMM-UHFFFAOYSA-N -1 3 362.429 4.244 20 0 FIADHM CN(C)c1cc(CNC(=O)c2cc([O-])c3ccccc3c2)c2ccccc2n1 ZINC000472206191 1121198521 /nfs/dbraw/zinc/19/85/21/1121198521.db2.gz MMOINUVONCOMEK-UHFFFAOYSA-N -1 3 371.440 4.090 20 0 FIADHM CC1(C)Cc2nc([N-]C(=O)c3cc(-c4ccccc4)no3)sc2C(=O)C1 ZINC000044742622 1121230077 /nfs/dbraw/zinc/23/00/77/1121230077.db2.gz MXGGBAZXRVYVFT-UHFFFAOYSA-N -1 3 367.430 4.206 20 0 FIADHM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1C ZINC000055615422 1121261580 /nfs/dbraw/zinc/26/15/80/1121261580.db2.gz SBOSAFGTEZGLII-UHFFFAOYSA-N -1 3 360.479 4.052 20 0 FIADHM Cc1nn(-c2ccccc2)c(Cl)c1CSCc1nc(C)cc(=O)[n-]1 ZINC000763208666 1121276875 /nfs/dbraw/zinc/27/68/75/1121276875.db2.gz MLZIVCGTDCTKGE-UHFFFAOYSA-N -1 3 360.870 4.072 20 0 FIADHM Cc1nn(Cc2ccccc2)c(Cl)c1CSCc1nc(C)cc(=O)[n-]1 ZINC000763208218 1121280476 /nfs/dbraw/zinc/28/04/76/1121280476.db2.gz IHDVVIAALQVCBI-UHFFFAOYSA-N -1 3 374.897 4.131 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1Oc1cccnc1 ZINC000057126368 1121353508 /nfs/dbraw/zinc/35/35/08/1121353508.db2.gz YINMWHWZLLWKRM-UHFFFAOYSA-N -1 3 358.394 4.122 20 0 FIADHM O=C(NC(c1ccccc1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000061197086 1121509794 /nfs/dbraw/zinc/50/97/94/1121509794.db2.gz FGRJGETWHLNYAP-UHFFFAOYSA-N -1 3 354.409 4.048 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000496774178 1121527086 /nfs/dbraw/zinc/52/70/86/1121527086.db2.gz WMFYQNZAULRVEO-CQSZACIVSA-N -1 3 373.884 4.071 20 0 FIADHM COc1ccc(C(=O)N2CC=C(c3cccc4ccccc43)CC2)c([O-])c1 ZINC000064056095 1121599108 /nfs/dbraw/zinc/59/91/08/1121599108.db2.gz MJLYHMDNFIWOEA-UHFFFAOYSA-N -1 3 359.425 4.484 20 0 FIADHM Cc1conc1[N-]C(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000123926560 1121646142 /nfs/dbraw/zinc/64/61/42/1121646142.db2.gz UENPZOJZBVPZJM-UHFFFAOYSA-N -1 3 370.253 4.183 20 0 FIADHM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000063181276 1121665437 /nfs/dbraw/zinc/66/54/37/1121665437.db2.gz NAWQXZZNIDEZKE-UHFFFAOYSA-N -1 3 360.479 4.151 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]3c3ccc(Cl)cc3)nc2)n1 ZINC000109321336 1121685441 /nfs/dbraw/zinc/68/54/41/1121685441.db2.gz XSCCDFIQZFPPJH-DLBZAZTESA-N -1 3 366.852 4.016 20 0 FIADHM Fc1ccccc1[N-]c1nnc(SCCOCC(F)(F)F)s1 ZINC000066408816 1121744041 /nfs/dbraw/zinc/74/40/41/1121744041.db2.gz UNDHGXKVSJICLJ-UHFFFAOYSA-N -1 3 353.366 4.092 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000067177500 1121771217 /nfs/dbraw/zinc/77/12/17/1121771217.db2.gz WLQAHSZETZJJEP-LJQANCHMSA-N -1 3 361.388 4.008 20 0 FIADHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125379142 1121774170 /nfs/dbraw/zinc/77/41/70/1121774170.db2.gz NTYLHPQJTOIKOO-UHFFFAOYSA-N -1 3 366.295 4.149 20 0 FIADHM CCc1cc(=O)[n-]c(CSCCCC(=O)Nc2c(C)cc(C)cc2C)n1 ZINC000125564760 1121792073 /nfs/dbraw/zinc/79/20/73/1121792073.db2.gz CTNSRBBMPSRIDE-UHFFFAOYSA-N -1 3 373.522 4.322 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H](c4ccccc4)CC3)nc2)n1 ZINC000068699640 1121841081 /nfs/dbraw/zinc/84/10/81/1121841081.db2.gz QTYODEMSXYICAT-SFHVURJKSA-N -1 3 374.488 4.168 20 0 FIADHM C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126102701 1121920085 /nfs/dbraw/zinc/92/00/85/1121920085.db2.gz MURXGDMUWREHOV-LBPRGKRZSA-N -1 3 363.255 4.057 20 0 FIADHM CC[C@@H]1CN(C(=O)c2cc(OC)c([O-])c(OC)c2)CC[C@@H]1c1ccccc1 ZINC000126678073 1121976017 /nfs/dbraw/zinc/97/60/17/1121976017.db2.gz GKNCSMBXNSMRHP-QAPCUYQASA-N -1 3 369.461 4.065 20 0 FIADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000128013352 1122179606 /nfs/dbraw/zinc/17/96/06/1122179606.db2.gz FGIMYJGYUDHLSY-WBVHZDCISA-N -1 3 351.462 4.303 20 0 FIADHM CCOc1cc([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)cc(Cl)c1[O-] ZINC000054682540 1122190779 /nfs/dbraw/zinc/19/07/79/1122190779.db2.gz YURAOPPQSPXQJU-INIZCTEOSA-N -1 3 367.232 4.294 20 0 FIADHM CN(C(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1)c1ccccc1 ZINC000128380091 1122268666 /nfs/dbraw/zinc/26/86/66/1122268666.db2.gz XACZHVCLLWBZKD-UHFFFAOYSA-N -1 3 364.376 4.060 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000128823538 1122424219 /nfs/dbraw/zinc/42/42/19/1122424219.db2.gz SNCGAWIABNAOIG-NWDGAFQWSA-N -1 3 350.187 4.036 20 0 FIADHM CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000917750534 1122427643 /nfs/dbraw/zinc/42/76/43/1122427643.db2.gz QVDLPSCVSYEFSV-MDZDMXLPSA-N -1 3 355.818 4.290 20 0 FIADHM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc([O-])c1F ZINC000129135022 1122542232 /nfs/dbraw/zinc/54/22/32/1122542232.db2.gz BOZCRDLAEVMDJY-CYBMUJFWSA-N -1 3 366.392 4.328 20 0 FIADHM CCOCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129485675 1122612335 /nfs/dbraw/zinc/61/23/35/1122612335.db2.gz VHWITYVJGYOIPT-UHFFFAOYSA-N -1 3 356.447 4.424 20 0 FIADHM O=C(OCc1cc(Cl)ccc1OCc1cccnc1)c1ccc([O-])cc1 ZINC000918851678 1122805665 /nfs/dbraw/zinc/80/56/65/1122805665.db2.gz FEAXNBYVNGFQBP-UHFFFAOYSA-N -1 3 369.804 4.377 20 0 FIADHM CCC1(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCCCC1 ZINC000556516226 1122937750 /nfs/dbraw/zinc/93/77/50/1122937750.db2.gz FHVRJMREHDAOEH-UHFFFAOYSA-N -1 3 354.454 4.392 20 0 FIADHM Cc1ccsc1-c1nsc([N-]C(=O)c2ncccc2OC(C)C)n1 ZINC000131376992 1123053856 /nfs/dbraw/zinc/05/38/56/1123053856.db2.gz IVIOQVXSJQAGAT-UHFFFAOYSA-N -1 3 360.464 4.010 20 0 FIADHM CC(C)(C)CCOc1cnccc1CNCc1c(F)ccc([O-])c1F ZINC000556876179 1123148216 /nfs/dbraw/zinc/14/82/16/1123148216.db2.gz IWKZWLGUVUXAPR-UHFFFAOYSA-N -1 3 350.409 4.170 20 0 FIADHM CSCCc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC000131715414 1123169636 /nfs/dbraw/zinc/16/96/36/1123169636.db2.gz WGZRJEDFGCFROI-UHFFFAOYSA-N -1 3 370.449 4.133 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1[O-] ZINC000556892534 1123179332 /nfs/dbraw/zinc/17/93/32/1123179332.db2.gz LJVUYLNJNOFQPP-UHFFFAOYSA-N -1 3 356.403 4.180 20 0 FIADHM CC1(C)CN(Cc2ncccc2[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000556909445 1123207919 /nfs/dbraw/zinc/20/79/19/1123207919.db2.gz FYKLSCDFQSAOJO-KRWDZBQOSA-N -1 3 366.383 4.158 20 0 FIADHM COc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000132792685 1123360930 /nfs/dbraw/zinc/36/09/30/1123360930.db2.gz BENMMWAUBVSZJF-QGZVFWFLSA-N -1 3 355.434 4.085 20 0 FIADHM CC(C)Cn1ncc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1C(C)C ZINC000499284617 1123407961 /nfs/dbraw/zinc/40/79/61/1123407961.db2.gz LIAOSFAAJOOJHL-MRXNPFEDSA-N -1 3 363.527 4.208 20 0 FIADHM O=C([N-]c1nc(-c2ccc(O)cc2)cs1)c1c(F)c(F)cc(F)c1F ZINC000133476981 1123491210 /nfs/dbraw/zinc/49/12/10/1123491210.db2.gz RWEUTHDWYHWFCY-UHFFFAOYSA-N -1 3 368.311 4.324 20 0 FIADHM Cc1ccc(-c2ccsc2C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000076946858 1123642129 /nfs/dbraw/zinc/64/21/29/1123642129.db2.gz IHYLDIFFMGYEFK-UHFFFAOYSA-N -1 3 352.341 4.113 20 0 FIADHM Cc1ccc(-c2ccsc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000076946858 1123642133 /nfs/dbraw/zinc/64/21/33/1123642133.db2.gz IHYLDIFFMGYEFK-UHFFFAOYSA-N -1 3 352.341 4.113 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)n1 ZINC000064374467 1123722580 /nfs/dbraw/zinc/72/25/80/1123722580.db2.gz FBHRPXWYSXANSM-NYYWCZLTSA-N -1 3 365.820 4.051 20 0 FIADHM Cc1noc(C2CC2)c1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000135595777 1123776187 /nfs/dbraw/zinc/77/61/87/1123776187.db2.gz SZDGRFQNVYYXJM-UHFFFAOYSA-N -1 3 364.401 4.397 20 0 FIADHM C[C@@H]1[C@@H](c2ccccc2)CCN1Cn1c(=S)[n-]nc1Cc1cccs1 ZINC000175269166 1123797842 /nfs/dbraw/zinc/79/78/42/1123797842.db2.gz NWNJSJRCSUMNPY-PBHICJAKSA-N -1 3 370.547 4.428 20 0 FIADHM Cc1nc(CC(C)C)sc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000067969044 1124007201 /nfs/dbraw/zinc/00/72/01/1124007201.db2.gz PEUNRNSEBWLEFP-UHFFFAOYSA-N -1 3 355.366 4.089 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000615996283 1124201687 /nfs/dbraw/zinc/20/16/87/1124201687.db2.gz XIGVYPBOXUIQBF-QGZVFWFLSA-N -1 3 367.474 4.358 20 0 FIADHM Cc1cc(Cl)c(C(=O)N[N-]C(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000180504343 1124350269 /nfs/dbraw/zinc/35/02/69/1124350269.db2.gz SYCDZAWIPBJTCP-UHFFFAOYSA-N -1 3 371.651 4.338 20 0 FIADHM Cc1cccc(C2([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)CCC2)c1 ZINC001212288581 1124428361 /nfs/dbraw/zinc/42/83/61/1124428361.db2.gz BXXJFZDJFGXGCF-UHFFFAOYSA-N -1 3 371.289 4.055 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(-c2ccc(Cl)s2)n1 ZINC000303852205 1124503229 /nfs/dbraw/zinc/50/32/29/1124503229.db2.gz VFGPYAUHMOAMFV-UHFFFAOYSA-N -1 3 368.842 4.300 20 0 FIADHM COc1cc(Br)c(N[C@H](C)c2ccc(F)cc2[O-])cc1OC ZINC000186495173 1124723190 /nfs/dbraw/zinc/72/31/90/1124723190.db2.gz SPOWKLYUOJUXLG-SECBINFHSA-N -1 3 370.218 4.484 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1cc(F)ccc1F ZINC000110380960 1124739102 /nfs/dbraw/zinc/73/91/02/1124739102.db2.gz ODZJLOHDRNVPTH-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM O=C(N[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000672159439 1124815996 /nfs/dbraw/zinc/81/59/96/1124815996.db2.gz WHYSRXZJNIAMHN-HIFRSBDPSA-N -1 3 374.366 4.043 20 0 FIADHM CCc1onc(C)c1[N-]C(=O)c1cc2sc(N(CC)CC)nc2s1 ZINC000089409523 1124905407 /nfs/dbraw/zinc/90/54/07/1124905407.db2.gz ISQQPQKFABARKX-UHFFFAOYSA-N -1 3 364.496 4.315 20 0 FIADHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(-c3ccccc3)nc2C)cc1 ZINC000181415706 1124912331 /nfs/dbraw/zinc/91/23/31/1124912331.db2.gz DXULBDYDHYMROE-SFHVURJKSA-N -1 3 373.412 4.174 20 0 FIADHM [O-]c1c(F)cc(F)cc1Nc1cc(-c2cccc(Br)n2)no1 ZINC001212482092 1125311651 /nfs/dbraw/zinc/31/16/51/1125311651.db2.gz ZWFFHEKOTLKLKW-UHFFFAOYSA-N -1 3 368.137 4.227 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(Cl)c1 ZINC000022957317 220406091 /nfs/dbraw/zinc/40/60/91/220406091.db2.gz ZBTMAFKUAVQPSE-UHFFFAOYSA-N -1 3 365.760 4.348 20 0 FIADHM CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccccc1[O-] ZINC000057140047 221083513 /nfs/dbraw/zinc/08/35/13/221083513.db2.gz BGRTVMJCZZCHEU-UHFFFAOYSA-N -1 3 350.212 4.194 20 0 FIADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000104042312 222348872 /nfs/dbraw/zinc/34/88/72/222348872.db2.gz HYMBQDPBHRZAGV-SNVBAGLBSA-N -1 3 368.724 4.350 20 0 FIADHM CC(C)c1csc2[n-]c(Cc3nc(-c4ccccc4)no3)nc(=O)c12 ZINC000601832215 567850809 /nfs/dbraw/zinc/85/08/09/567850809.db2.gz WGCUWVUWKDTEEA-UHFFFAOYSA-N -1 3 352.419 4.161 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1 ZINC000049524963 568104568 /nfs/dbraw/zinc/10/45/68/568104568.db2.gz KYRWISFJNXTHDM-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000603614893 568128443 /nfs/dbraw/zinc/12/84/43/568128443.db2.gz XEFMOWKMOUXXSV-UHFFFAOYSA-N -1 3 374.393 4.280 20 0 FIADHM C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]2CCCC[C@@H]12 ZINC000604052928 568206830 /nfs/dbraw/zinc/20/68/30/568206830.db2.gz YIVPCVVDUPOOPJ-IJEWVQPXSA-N -1 3 351.450 4.482 20 0 FIADHM O=S(=O)([N-]Cc1ccc2ccccc2n1)c1cc(Cl)cc(Cl)c1 ZINC000604149094 568217166 /nfs/dbraw/zinc/21/71/66/568217166.db2.gz XYXFWCXDVOHQBE-UHFFFAOYSA-N -1 3 367.257 4.020 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)ccc1OC(C)C ZINC000303198709 568259754 /nfs/dbraw/zinc/25/97/54/568259754.db2.gz NVLPGLHRCCOVPU-UHFFFAOYSA-N -1 3 357.834 4.376 20 0 FIADHM COC(=O)c1cc([N-]C(=O)c2oc3ccc(F)cc3c2C)c(F)cc1F ZINC000030820985 568310660 /nfs/dbraw/zinc/31/06/60/568310660.db2.gz UJOZPXIZHRMZFD-UHFFFAOYSA-N -1 3 363.291 4.197 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC(C)(C)c3cccs3)cc2)cc(=O)[n-]1 ZINC000604892217 568382078 /nfs/dbraw/zinc/38/20/78/568382078.db2.gz ZITCGXDFNWOUOP-UHFFFAOYSA-N -1 3 368.462 4.276 20 0 FIADHM CC[C@H](C)[C@@H](C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1)c1ccccc1 ZINC000604901298 568384809 /nfs/dbraw/zinc/38/48/09/568384809.db2.gz WILIZSAELLULGF-YCRPNKLZSA-N -1 3 363.461 4.276 20 0 FIADHM Fc1ccc(CSc2n[n-]c(-c3ccccn3)n2)cc1Br ZINC000604932963 568395271 /nfs/dbraw/zinc/39/52/71/568395271.db2.gz HKZCJMJIJYGUMU-UHFFFAOYSA-N -1 3 365.231 4.061 20 0 FIADHM Cc1cc(C)c(C)c(C(=O)CSc2n[n-]c(-c3ccccn3)n2)c1C ZINC000604932876 568395316 /nfs/dbraw/zinc/39/53/16/568395316.db2.gz WGSPFTXHMSYRJN-UHFFFAOYSA-N -1 3 352.463 4.075 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c(Br)c1 ZINC000028197100 568545172 /nfs/dbraw/zinc/54/51/72/568545172.db2.gz BIHGKVOIBOFMDN-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCCC[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000619929089 1125732683 /nfs/dbraw/zinc/73/26/83/1125732683.db2.gz WVQGEAMSTDYSRD-XJKSGUPXSA-N -1 3 354.454 4.105 20 0 FIADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000579718132 1079568553 /nfs/dbraw/zinc/56/85/53/1079568553.db2.gz OXPUHUOTOUEBIV-AWEZNQCLSA-N -1 3 354.497 4.043 20 0 FIADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)c2ccc(Br)cc21 ZINC001167049121 1079611996 /nfs/dbraw/zinc/61/19/96/1079611996.db2.gz VKQJYIWJSAUQIA-UHFFFAOYSA-N -1 3 360.251 4.401 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000471123514 1079734562 /nfs/dbraw/zinc/73/45/62/1079734562.db2.gz RVJJICKFHQFJNT-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM O=C([O-])[C@H](NCc1coc2ccccc12)c1cccc(Br)c1 ZINC000683175552 1079816410 /nfs/dbraw/zinc/81/64/10/1079816410.db2.gz WXSSFHSTVCHALX-MRXNPFEDSA-N -1 3 360.207 4.111 20 0 FIADHM CC(C)c1ccc(C(=O)NNC(=S)Nc2ccccc2C(C)C)c([O-])c1 ZINC000066122381 1079984262 /nfs/dbraw/zinc/98/42/62/1079984262.db2.gz SQDLQTDEZGJFKR-UHFFFAOYSA-N -1 3 371.506 4.270 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000160264083 1080237977 /nfs/dbraw/zinc/23/79/77/1080237977.db2.gz IPOHNFSSTRMYAF-QGZVFWFLSA-N -1 3 371.368 4.214 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000160264083 1080237984 /nfs/dbraw/zinc/23/79/84/1080237984.db2.gz IPOHNFSSTRMYAF-QGZVFWFLSA-N -1 3 371.368 4.214 20 0 FIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)ccc2C)c1 ZINC000007419349 1080455480 /nfs/dbraw/zinc/45/54/80/1080455480.db2.gz QXRLCWAMUZHWNY-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1Cl ZINC000180288749 1080475800 /nfs/dbraw/zinc/47/58/00/1080475800.db2.gz FOSJGKUZBPJPIY-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM CCOc1ccc(-c2nc(C(=O)[N-]c3nnc(C4CC4)s3)cs2)cc1 ZINC000024843705 1080631883 /nfs/dbraw/zinc/63/18/83/1080631883.db2.gz GKHRVHKBJORJMI-UHFFFAOYSA-N -1 3 372.475 4.190 20 0 FIADHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)Cc3ccc(F)cc3)c2O1 ZINC000430358777 1080784468 /nfs/dbraw/zinc/78/44/68/1080784468.db2.gz PIWHYDRBWFYHNL-UHFFFAOYSA-N -1 3 369.845 4.135 20 0 FIADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1)c1cnn[n-]1 ZINC000510229378 1080826411 /nfs/dbraw/zinc/82/64/11/1080826411.db2.gz OWOVVTIHQYFUDN-UHFFFAOYSA-N -1 3 367.167 4.295 20 0 FIADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1)c1c[n-]nn1 ZINC000510229378 1080826419 /nfs/dbraw/zinc/82/64/19/1080826419.db2.gz OWOVVTIHQYFUDN-UHFFFAOYSA-N -1 3 367.167 4.295 20 0 FIADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1)c1cn[n-]n1 ZINC000510229378 1080826425 /nfs/dbraw/zinc/82/64/25/1080826425.db2.gz OWOVVTIHQYFUDN-UHFFFAOYSA-N -1 3 367.167 4.295 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1nc(-c2cccs2)ns1 ZINC000471291622 1080903067 /nfs/dbraw/zinc/90/30/67/1080903067.db2.gz IZWHOWLUZSMTRY-UHFFFAOYSA-N -1 3 363.439 4.073 20 0 FIADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(-c4ncco4)cc3C)c(=O)c2c1 ZINC001648800341 1080920679 /nfs/dbraw/zinc/92/06/79/1080920679.db2.gz ASMJHPRGUIZLLL-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)sc1C ZINC000683547533 1081071012 /nfs/dbraw/zinc/07/10/12/1081071012.db2.gz WWWSOWBFPGAKSX-UHFFFAOYSA-N -1 3 358.492 4.190 20 0 FIADHM CC(C)(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000468031969 1081102904 /nfs/dbraw/zinc/10/29/04/1081102904.db2.gz YQOFOVBWYZDVGO-QGZVFWFLSA-N -1 3 366.383 4.396 20 0 FIADHM Cc1nn(C)cc1[C@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843546626 1081140085 /nfs/dbraw/zinc/14/00/85/1081140085.db2.gz CAJSXMCGJJNLFD-QMMMGPOBSA-N -1 3 362.207 4.005 20 0 FIADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1sc2cc(F)ccc2c1Cl ZINC000020501652 1081201263 /nfs/dbraw/zinc/20/12/63/1081201263.db2.gz PRCIEXUVYBWBND-UHFFFAOYSA-N -1 3 373.800 4.126 20 0 FIADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1sc2cc(F)ccc2c1Cl ZINC000020501652 1081201267 /nfs/dbraw/zinc/20/12/67/1081201267.db2.gz PRCIEXUVYBWBND-UHFFFAOYSA-N -1 3 373.800 4.126 20 0 FIADHM [O-]c1c(Cl)cccc1Nc1cc(I)ccc1O ZINC001210223576 1081202236 /nfs/dbraw/zinc/20/22/36/1081202236.db2.gz SUPYTJZZNSWHRT-UHFFFAOYSA-N -1 3 361.566 4.099 20 0 FIADHM CCCCOc1ccc(C(=O)NC[C@H](c2ccccc2)C2CC2)c([O-])c1 ZINC001648822733 1081250942 /nfs/dbraw/zinc/25/09/42/1081250942.db2.gz RTLKFBHQXOGVQO-HXUWFJFHSA-N -1 3 353.462 4.495 20 0 FIADHM COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cc([O-])cc(F)c2)c1 ZINC000471462754 1081365679 /nfs/dbraw/zinc/36/56/79/1081365679.db2.gz PQARCTVTUPNKIF-HXUWFJFHSA-N -1 3 364.376 4.311 20 0 FIADHM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC([O-])=NO[C@@H]1CCCCO1 ZINC000160435735 1081762419 /nfs/dbraw/zinc/76/24/19/1081762419.db2.gz BPTBJOVQQKHEQX-MRXNPFEDSA-N -1 3 372.469 4.058 20 0 FIADHM CC(C)Cc1nc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cs1 ZINC000255335840 1081815770 /nfs/dbraw/zinc/81/57/70/1081815770.db2.gz FOGCSYNAEZVHKU-WAYWQWQTSA-N -1 3 360.464 4.209 20 0 FIADHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000610432187 1081867804 /nfs/dbraw/zinc/86/78/04/1081867804.db2.gz RRNZUUYBCJBAEM-UHFFFAOYSA-N -1 3 372.393 4.282 20 0 FIADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(-c2cnc3ccccc3c2)no1 ZINC000580381757 1081913787 /nfs/dbraw/zinc/91/37/87/1081913787.db2.gz VDHQELWQTBEVJE-UHFFFAOYSA-N -1 3 368.755 4.330 20 0 FIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2csc(-c3cnn(C)c3)n2)c1F ZINC000535642463 1081980075 /nfs/dbraw/zinc/98/00/75/1081980075.db2.gz ROCYRDUHGULNRC-UHFFFAOYSA-N -1 3 368.796 4.036 20 0 FIADHM O=c1cc(Nc2ccc(C(F)(F)F)nc2Cl)[n-]n1-c1ccccc1 ZINC001211199089 1082010539 /nfs/dbraw/zinc/01/05/39/1082010539.db2.gz BCLPCCZOXNPPOT-UHFFFAOYSA-N -1 3 354.719 4.389 20 0 FIADHM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccccc1OC(F)(F)F ZINC000580597883 1082037106 /nfs/dbraw/zinc/03/71/06/1082037106.db2.gz LFOBGIUQNYIEQK-UHFFFAOYSA-N -1 3 369.723 4.179 20 0 FIADHM CCOc1cc(/C=C(/C(N)=S)c2nc3ccccc3[nH]2)cc(Cl)c1[O-] ZINC000050549455 1082192787 /nfs/dbraw/zinc/19/27/87/1082192787.db2.gz RSWXXRCWWTULNL-XFFZJAGNSA-N -1 3 373.865 4.147 20 0 FIADHM O=C(Cc1cccc(Cl)c1F)Nc1cc(Br)ccc1[O-] ZINC000580944702 1082242464 /nfs/dbraw/zinc/24/24/64/1082242464.db2.gz DFFPDTIEJUQTHR-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM COC(=O)c1sc(Br)cc1Nc1cc(F)c([O-])cc1F ZINC001215570494 1082248654 /nfs/dbraw/zinc/24/86/54/1082248654.db2.gz IZUWSYJJXBFUMS-UHFFFAOYSA-N -1 3 364.167 4.025 20 0 FIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)n1 ZINC000581001950 1082274170 /nfs/dbraw/zinc/27/41/70/1082274170.db2.gz GOKMVYOYNDIPCZ-ZDUSSCGKSA-N -1 3 370.478 4.406 20 0 FIADHM O=C([N-]NC(=S)Nc1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC000015914343 1082329320 /nfs/dbraw/zinc/32/93/20/1082329320.db2.gz VMWXTTHZZNNLDJ-UHFFFAOYSA-N -1 3 374.680 4.278 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2F)c(Br)c1 ZINC000313202927 1082504462 /nfs/dbraw/zinc/50/44/62/1082504462.db2.gz BDVBXZOOGWGVQH-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc([O-])c3ccccc3c1)CCC2 ZINC000684280063 1082610759 /nfs/dbraw/zinc/61/07/59/1082610759.db2.gz FYJSPOOHVFQFAL-KRWDZBQOSA-N -1 3 352.459 4.460 20 0 FIADHM O=S(=O)([N-]C(c1ccccc1)c1ccccc1)c1ccc(F)cc1F ZINC000013938983 1082619451 /nfs/dbraw/zinc/61/94/51/1082619451.db2.gz WUSOEHPFWIKIGY-UHFFFAOYSA-N -1 3 359.397 4.033 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccc(Cl)cc3)cc2)n1 ZINC000255317152 1082626387 /nfs/dbraw/zinc/62/63/87/1082626387.db2.gz FBHRPXWYSXANSM-WCIBSUBMSA-N -1 3 365.820 4.463 20 0 FIADHM O=C(NCc1ncccc1[O-])c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000684349580 1082728873 /nfs/dbraw/zinc/72/88/73/1082728873.db2.gz GPAACLIBRUGUNG-UHFFFAOYSA-N -1 3 371.396 4.039 20 0 FIADHM O=C([O-])c1ccc(-c2nc(CN3CC[C@@H](C4CCCCC4)C3)co2)cc1 ZINC000656761883 1082754101 /nfs/dbraw/zinc/75/41/01/1082754101.db2.gz WHZVZOTXYLUZIH-GOSISDBHSA-N -1 3 354.450 4.442 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3cccs3)n2)[C@H]2CCCC[C@@H]12 ZINC000656763202 1082754993 /nfs/dbraw/zinc/75/49/93/1082754993.db2.gz FEBSBHGEXATHRP-ZNMIVQPWSA-N -1 3 362.520 4.337 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656768636 1082759721 /nfs/dbraw/zinc/75/97/21/1082759721.db2.gz LXXUSOUFSGBWIL-DQYPLSBCSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000656770044 1082762058 /nfs/dbraw/zinc/76/20/58/1082762058.db2.gz VZWALPFPOWPCEN-IRXDYDNUSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])CCN(CCSc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000581731473 1082850042 /nfs/dbraw/zinc/85/00/42/1082850042.db2.gz BIFXDQNNIFWOQV-UHFFFAOYSA-N -1 3 369.408 4.173 20 0 FIADHM CCOc1ccc(-c2nc(CN(CCC(=O)[O-])CC(C)C)cs2)cc1 ZINC000581829959 1082915762 /nfs/dbraw/zinc/91/57/62/1082915762.db2.gz QZASZEKZUGETGT-UHFFFAOYSA-N -1 3 362.495 4.142 20 0 FIADHM CCC[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000471783793 1082986476 /nfs/dbraw/zinc/98/64/76/1082986476.db2.gz YHSYXXPWLPMTMP-CQSZACIVSA-N -1 3 368.264 4.435 20 0 FIADHM CCc1cccc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c1[O-] ZINC000548378494 1083128593 /nfs/dbraw/zinc/12/85/93/1083128593.db2.gz UBFXTQOYQMREFH-UGSOOPFHSA-N -1 3 359.853 4.210 20 0 FIADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471936334 1083353192 /nfs/dbraw/zinc/35/31/92/1083353192.db2.gz JCJNSLLNAWVTGI-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C(NCCCc1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000685724425 1083506614 /nfs/dbraw/zinc/50/66/14/1083506614.db2.gz WJHCOJSAMSECPF-UHFFFAOYSA-N -1 3 368.658 4.171 20 0 FIADHM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc([O-])ccc1Cl ZINC000569830565 1083716404 /nfs/dbraw/zinc/71/64/04/1083716404.db2.gz LFYURSAJKLDPCE-UHFFFAOYSA-N -1 3 366.229 4.470 20 0 FIADHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)c(OCC(F)(F)F)c1 ZINC000685781281 1083887885 /nfs/dbraw/zinc/88/78/85/1083887885.db2.gz IXJDPLHGTDOWFM-UHFFFAOYSA-N -1 3 373.758 4.225 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(Br)cc3C)no2)c1 ZINC000318419388 1083923330 /nfs/dbraw/zinc/92/33/30/1083923330.db2.gz YONDUWKKGUGAJN-UHFFFAOYSA-N -1 3 361.195 4.189 20 0 FIADHM CCCOc1ccc(-c2nc3ccc(Br)cc3c(=O)[n-]2)cc1 ZINC000525713921 1083974802 /nfs/dbraw/zinc/97/48/02/1083974802.db2.gz CJVQLGNLYDSBNS-UHFFFAOYSA-N -1 3 359.223 4.141 20 0 FIADHM O=C(c1nnc2ccccc2c1[O-])N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000177528713 1084037416 /nfs/dbraw/zinc/03/74/16/1084037416.db2.gz HBYYAEWSYDIDRK-LGHUBQEGSA-N -1 3 373.456 4.021 20 0 FIADHM Cc1ccc(C[C@@H](CNCc2csc(-c3ccsc3)n2)C(=O)[O-])cc1 ZINC000277224547 1084038274 /nfs/dbraw/zinc/03/82/74/1084038274.db2.gz IBNBWCHOJKVDSX-INIZCTEOSA-N -1 3 372.515 4.213 20 0 FIADHM Cc1ccc(CO)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000092763193 1084058893 /nfs/dbraw/zinc/05/88/93/1084058893.db2.gz WKUBHTQPQLSPBE-UHFFFAOYSA-N -1 3 363.413 4.024 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C/C(Cl)=C/Cl)CC1 ZINC000177710722 1084244845 /nfs/dbraw/zinc/24/48/45/1084244845.db2.gz ZKSRDVKABNHNEC-WQLSENKSSA-N -1 3 363.672 4.015 20 0 FIADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1OC1CCOCC1 ZINC000277347447 1084302350 /nfs/dbraw/zinc/30/23/50/1084302350.db2.gz DYIVWTOVKKMKIB-UHFFFAOYSA-N -1 3 361.825 4.164 20 0 FIADHM Cc1nc2ccccc2n1C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000685841554 1084327404 /nfs/dbraw/zinc/32/74/04/1084327404.db2.gz SNCYJXNFGYXAIA-UHFFFAOYSA-N -1 3 369.852 4.181 20 0 FIADHM [O-]c1cc(F)cc(CNc2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000548621898 1084340051 /nfs/dbraw/zinc/34/00/51/1084340051.db2.gz JPKMURTUPWKFCL-GFCCVEGCSA-N -1 3 351.805 4.212 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCc2ccc(Br)cc21 ZINC000431775854 1084499654 /nfs/dbraw/zinc/49/96/54/1084499654.db2.gz ZRIKWMUNFXARHY-UHFFFAOYSA-N -1 3 352.615 4.011 20 0 FIADHM O=C(NC1(c2ccc(Br)cc2)CC1)c1cc([O-])ccc1Cl ZINC000431344149 1084552726 /nfs/dbraw/zinc/55/27/26/1084552726.db2.gz KWKRDQHLAHCEJW-UHFFFAOYSA-N -1 3 366.642 4.227 20 0 FIADHM Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000174210346 1084740118 /nfs/dbraw/zinc/74/01/18/1084740118.db2.gz GHCXMJBHYLUXGD-UHFFFAOYSA-N -1 3 360.772 4.078 20 0 FIADHM O=C(Cc1cc(Br)ccc1F)Nc1cc(Cl)ccc1[O-] ZINC000170221262 1084747556 /nfs/dbraw/zinc/74/75/56/1084747556.db2.gz QJRLOOSCFRSZOV-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM CCCO[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000582246970 1084793620 /nfs/dbraw/zinc/79/36/20/1084793620.db2.gz WYJIACOYPBPAEE-XJKSGUPXSA-N -1 3 360.281 4.400 20 0 FIADHM Cc1nc(C)c(CCC(=O)Nc2ccc(SC(C)(C)C)cc2C)c(=O)[n-]1 ZINC000158181197 1084942779 /nfs/dbraw/zinc/94/27/79/1084942779.db2.gz CABJUPFPOYYIDH-UHFFFAOYSA-N -1 3 373.522 4.157 20 0 FIADHM CC(C)Oc1cccnc1C(=O)[N-]c1nc(-c2ccccc2Cl)ns1 ZINC000175786614 1085006212 /nfs/dbraw/zinc/00/62/12/1085006212.db2.gz HREVAWJGTOSUHD-UHFFFAOYSA-N -1 3 374.853 4.293 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)s1 ZINC000186112564 1085029266 /nfs/dbraw/zinc/02/92/66/1085029266.db2.gz HKTUUVVXCHSAIG-UHFFFAOYSA-N -1 3 368.846 4.269 20 0 FIADHM CCc1ccc(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)c([O-])c1 ZINC000582675612 1085364575 /nfs/dbraw/zinc/36/45/75/1085364575.db2.gz NYDILDIJAMECLR-UHFFFAOYSA-N -1 3 358.463 4.100 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(F)cc3Cl)c2)n1 ZINC000049302218 1085443858 /nfs/dbraw/zinc/44/38/58/1085443858.db2.gz CHEQSJPRJVSQBR-UHFFFAOYSA-N -1 3 371.799 4.044 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)c3ccccc3)c2)n1 ZINC000049302264 1085444149 /nfs/dbraw/zinc/44/41/49/1085444149.db2.gz SQNMNZHFAKJAAP-OAHLLOKOSA-N -1 3 361.445 4.132 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3oc4ccccc4c3C)c2)n1 ZINC000049302238 1085444231 /nfs/dbraw/zinc/44/42/31/1085444231.db2.gz BJUZDMMJKGAHCF-UHFFFAOYSA-N -1 3 373.412 4.306 20 0 FIADHM O=C([O-])C[C@H](CNCc1ccc(-c2ccc(Cl)cc2)o1)C(F)(F)F ZINC000582775139 1085695748 /nfs/dbraw/zinc/69/57/48/1085695748.db2.gz SJHBEKXVULLBRH-LLVKDONJSA-N -1 3 361.747 4.343 20 0 FIADHM CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000582850875 1085833876 /nfs/dbraw/zinc/83/38/76/1085833876.db2.gz DTYDWDONVOEZNO-ZIAGYGMSSA-N -1 3 372.328 4.253 20 0 FIADHM O=C([O-])[C@@H]1CN(CCc2cc(Cl)cc(Cl)c2)Cc2ccccc21 ZINC000652469605 1086089025 /nfs/dbraw/zinc/08/90/25/1086089025.db2.gz ACYRDEGTMUDKPL-QGZVFWFLSA-N -1 3 350.245 4.220 20 0 FIADHM Cc1nc([C@H](C)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000652497362 1086132371 /nfs/dbraw/zinc/13/23/71/1086132371.db2.gz SXQLLQBIMVZNPW-RBOXIYTFSA-N -1 3 362.857 4.407 20 0 FIADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000652500251 1086137369 /nfs/dbraw/zinc/13/73/69/1086137369.db2.gz IPJTTZVIEXGMER-AWEZNQCLSA-N -1 3 362.470 4.272 20 0 FIADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000652500252 1086137825 /nfs/dbraw/zinc/13/78/25/1086137825.db2.gz IPJTTZVIEXGMER-CQSZACIVSA-N -1 3 362.470 4.272 20 0 FIADHM O=C([O-])CC[C@H](CNCc1ccc(-c2ccccc2F)o1)C(F)(F)F ZINC000663262126 1086340640 /nfs/dbraw/zinc/34/06/40/1086340640.db2.gz PQRFPWLZDJAZHI-LLVKDONJSA-N -1 3 359.319 4.219 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1 ZINC000184851790 1086362767 /nfs/dbraw/zinc/36/27/67/1086362767.db2.gz ZLBCPDPQMHYXLB-UHFFFAOYSA-N -1 3 361.357 4.305 20 0 FIADHM CCSCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000091606789 1086424590 /nfs/dbraw/zinc/42/45/90/1086424590.db2.gz QDPCVLGTOJLMNK-UHFFFAOYSA-N -1 3 352.506 4.231 20 0 FIADHM CC(C)Sc1ccc([C@H](C)N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000728853809 1086424623 /nfs/dbraw/zinc/42/46/23/1086424623.db2.gz DBVWQGCZBOIBBY-YQNUULROSA-N -1 3 366.486 4.149 20 0 FIADHM O=c1cc(CSCc2nnc(-c3ccccc3Cl)o2)nc(C2CC2)[n-]1 ZINC000583253763 1086475629 /nfs/dbraw/zinc/47/56/29/1086475629.db2.gz QKLMMQSCAMIPHG-UHFFFAOYSA-N -1 3 374.853 4.196 20 0 FIADHM C[C@H](OCC1CC1)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093095493 1086670082 /nfs/dbraw/zinc/67/00/82/1086670082.db2.gz RQQPCCFRNJAWOO-LBPRGKRZSA-N -1 3 368.458 4.423 20 0 FIADHM CN1CCCC[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093865 1086670255 /nfs/dbraw/zinc/67/02/55/1086670255.db2.gz ILIBOFDAXQQOHA-INIZCTEOSA-N -1 3 367.474 4.092 20 0 FIADHM O=C([N-]c1csnc1-c1ccccc1)c1csc([C@H]2CCCO2)n1 ZINC001126306152 1086691876 /nfs/dbraw/zinc/69/18/76/1086691876.db2.gz MQDTYCSFLDUAHG-CQSZACIVSA-N -1 3 357.460 4.370 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)s1 ZINC000512146469 1086836776 /nfs/dbraw/zinc/83/67/76/1086836776.db2.gz KSAQGQNFKWTONL-MRVPVSSYSA-N -1 3 369.817 4.248 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000536104053 1086916113 /nfs/dbraw/zinc/91/61/13/1086916113.db2.gz UYIMKKSMAJJMDR-QWHCGFSZSA-N -1 3 350.187 4.036 20 0 FIADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000472304970 1086976425 /nfs/dbraw/zinc/97/64/25/1086976425.db2.gz INULNKHJMBKVPT-UHFFFAOYSA-N -1 3 353.440 4.155 20 0 FIADHM COc1ccccc1[C@H]([N-]c1noc(-c2ccccc2)n1)c1ccccn1 ZINC000158261822 1087059949 /nfs/dbraw/zinc/05/99/49/1087059949.db2.gz NKTDETZMFSUIND-IBGZPJMESA-N -1 3 358.401 4.342 20 0 FIADHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(Cl)cc1F ZINC000151580963 1087159933 /nfs/dbraw/zinc/15/99/33/1087159933.db2.gz JYVQTPBJZXXBTG-UHFFFAOYSA-N -1 3 372.621 4.186 20 0 FIADHM C[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000151607244 1087174282 /nfs/dbraw/zinc/17/42/82/1087174282.db2.gz CZDSBEWCXVBJRQ-LLVKDONJSA-N -1 3 366.230 4.104 20 0 FIADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc(Cl)s1 ZINC000151650311 1087190245 /nfs/dbraw/zinc/19/02/45/1087190245.db2.gz CGEOAYWFVUEGAJ-QMMMGPOBSA-N -1 3 374.687 4.290 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Br)c(F)c1 ZINC000404964143 1087361430 /nfs/dbraw/zinc/36/14/30/1087361430.db2.gz HLWWRRNYRCSSCU-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000094097659 1087464101 /nfs/dbraw/zinc/46/41/01/1087464101.db2.gz NSVOUHQBMPMFLS-SFHVURJKSA-N -1 3 365.408 4.289 20 0 FIADHM COCc1c2ccccc2oc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000139171829 1087467375 /nfs/dbraw/zinc/46/73/75/1087467375.db2.gz MLSGOXSEJGWUNU-UHFFFAOYSA-N -1 3 365.414 4.350 20 0 FIADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc2ncccc2o1 ZINC001125719529 1087540330 /nfs/dbraw/zinc/54/03/30/1087540330.db2.gz NAAQKMZPQGNCOS-UHFFFAOYSA-N -1 3 356.794 4.252 20 0 FIADHM O=C([O-])CC[C@@H]1CCCCN1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000424264691 1087885762 /nfs/dbraw/zinc/88/57/62/1087885762.db2.gz UNYVTNIWOZOVFK-SFHVURJKSA-N -1 3 372.509 4.072 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(OC)c2)c(C)c1C ZINC000414386468 1088091920 /nfs/dbraw/zinc/09/19/20/1088091920.db2.gz UJXMYTGASJRLEF-UHFFFAOYSA-N -1 3 369.870 4.083 20 0 FIADHM CCC(C)(CC)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000134893150 1088418288 /nfs/dbraw/zinc/41/82/88/1088418288.db2.gz DERKSEBVHWDOKG-UHFFFAOYSA-N -1 3 366.889 4.049 20 0 FIADHM COc1cc(C(=O)N2CCCC[C@@H]2c2cccc(C)c2C)cc(OC)c1[O-] ZINC000513958448 1088552253 /nfs/dbraw/zinc/55/22/53/1088552253.db2.gz QUSPDQYZZOEYNA-GOSISDBHSA-N -1 3 369.461 4.394 20 0 FIADHM COc1cc(C(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)cc(OC)c1[O-] ZINC000513954707 1088561651 /nfs/dbraw/zinc/56/16/51/1088561651.db2.gz LDBROLDKSYFIII-HNNXBMFYSA-N -1 3 369.461 4.413 20 0 FIADHM COc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc(OC)c1[O-] ZINC000513968961 1088589713 /nfs/dbraw/zinc/58/97/13/1088589713.db2.gz NMUIPBCLVFDDMH-IBGZPJMESA-N -1 3 373.424 4.210 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([O-])c1 ZINC000647650840 1088604290 /nfs/dbraw/zinc/60/42/90/1088604290.db2.gz YHBYAYUMDGCLRJ-TTYHFUOFSA-N -1 3 359.510 4.307 20 0 FIADHM CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181890860 1088865523 /nfs/dbraw/zinc/86/55/23/1088865523.db2.gz UHZWZXWCGHYKIW-UHFFFAOYSA-N -1 3 353.397 4.152 20 0 FIADHM COc1cc(Oc2ccccc2)ccc1NC(=O)c1cccc2n[n-]nc21 ZINC000188598498 1088961975 /nfs/dbraw/zinc/96/19/75/1088961975.db2.gz FOZQESUWZVVYCK-UHFFFAOYSA-N -1 3 360.373 4.011 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc4oc(C)nc43)c2)n1 ZINC000377075011 1088998512 /nfs/dbraw/zinc/99/85/12/1088998512.db2.gz VZNJWBFJZBSQIW-UHFFFAOYSA-N -1 3 374.400 4.114 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000514627367 1089281507 /nfs/dbraw/zinc/28/15/07/1089281507.db2.gz FXUWCOYWJGJYNN-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431845040 1089496801 /nfs/dbraw/zinc/49/68/01/1089496801.db2.gz NGQYTUJILSGHDT-KXBFYZLASA-N -1 3 359.853 4.252 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cccc(CSC3CCCC3)c2)[n-]1 ZINC000590271990 1089657811 /nfs/dbraw/zinc/65/78/11/1089657811.db2.gz PUAQGBWNWRDVPH-UHFFFAOYSA-N -1 3 358.463 4.229 20 0 FIADHM C[C@@]1(CCc2ccccc2)CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000435566786 1089757656 /nfs/dbraw/zinc/75/76/56/1089757656.db2.gz BOFIIOOZJDTKRX-OAQYLSRUSA-N -1 3 356.441 4.086 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3C[C@H](c4cccc(F)c4)C3)nc2)n1 ZINC000435587711 1089779283 /nfs/dbraw/zinc/77/92/83/1089779283.db2.gz IOAGCLXHXQWODH-RZDIXWSQSA-N -1 3 364.424 4.304 20 0 FIADHM CC(C)c1cccc(-c2ccc(C(=O)N3CCCc4c(=O)[n-]cnc43)o2)c1 ZINC000893207525 1090304898 /nfs/dbraw/zinc/30/48/98/1090304898.db2.gz TUBGIBJYIUJGLZ-UHFFFAOYSA-N -1 3 363.417 4.159 20 0 FIADHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000416544322 1090439376 /nfs/dbraw/zinc/43/93/76/1090439376.db2.gz ZFPQYNDOXRWMDG-LBPRGKRZSA-N -1 3 373.305 4.078 20 0 FIADHM CCC(C)(C)c1ccc(C[S@@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000417190233 1090739966 /nfs/dbraw/zinc/73/99/66/1090739966.db2.gz ZSZGIFMPXOHNPZ-RUZDIDTESA-N -1 3 358.507 4.196 20 0 FIADHM CC(C)(C)c1cnc(CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000417548646 1090920467 /nfs/dbraw/zinc/92/04/67/1090920467.db2.gz RHWBROFHNZQHDC-ZDUSSCGKSA-N -1 3 366.914 4.442 20 0 FIADHM COc1cccc(Cl)c1CNCCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000417556112 1090924496 /nfs/dbraw/zinc/92/44/96/1090924496.db2.gz NLBLXYQAYHKKPX-MRXNPFEDSA-N -1 3 361.869 4.162 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@H](CCC(=O)[O-])c3ccccc3)s2)o1 ZINC000417590418 1090934553 /nfs/dbraw/zinc/93/45/53/1090934553.db2.gz BPOLYLMGPGIDOW-MRXNPFEDSA-N -1 3 356.447 4.407 20 0 FIADHM COCc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000417595190 1090935101 /nfs/dbraw/zinc/93/51/01/1090935101.db2.gz XNWHTILUWCGGFF-QGZVFWFLSA-N -1 3 367.367 4.157 20 0 FIADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)c2ccccc21 ZINC000417628273 1090944857 /nfs/dbraw/zinc/94/48/57/1090944857.db2.gz VXTFPDQZJUZFBT-XJKSGUPXSA-N -1 3 353.315 4.247 20 0 FIADHM CCSc1nnc([N-]C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)s1 ZINC000007264353 1091350501 /nfs/dbraw/zinc/35/05/01/1091350501.db2.gz NWLPBXHSACDTEV-UHFFFAOYSA-N -1 3 373.459 4.365 20 0 FIADHM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc([O-])ccc1Cl ZINC000497998641 1091438043 /nfs/dbraw/zinc/43/80/43/1091438043.db2.gz MODQGLPVNJTIQD-UHFFFAOYSA-N -1 3 374.651 4.299 20 0 FIADHM [O-]c1ccc(F)c(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1F ZINC000512188548 1091794566 /nfs/dbraw/zinc/79/45/66/1091794566.db2.gz ZYJCSLOWBBXTCP-UHFFFAOYSA-N -1 3 369.293 4.487 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)[nH][n-]1 ZINC000512342972 1092087065 /nfs/dbraw/zinc/08/70/65/1092087065.db2.gz NKGHCIPELKPKFO-OLZOCXBDSA-N -1 3 351.372 4.114 20 0 FIADHM CCn1nc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c2ccccc21 ZINC000432711978 1092170286 /nfs/dbraw/zinc/17/02/86/1092170286.db2.gz XTUCLHDBJLBNQO-BMRADRMJSA-N -1 3 356.429 4.335 20 0 FIADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000508251295 1092201106 /nfs/dbraw/zinc/20/11/06/1092201106.db2.gz VRXNLEINIQDUNB-UHFFFAOYSA-N -1 3 360.504 4.072 20 0 FIADHM CCCCS[C@@H](C)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000500567938 1092236009 /nfs/dbraw/zinc/23/60/09/1092236009.db2.gz IYVNFKLHAHGRSU-NSHDSACASA-N -1 3 367.902 4.021 20 0 FIADHM CCC[C@@](C)(O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093094233 1092296232 /nfs/dbraw/zinc/29/62/32/1092296232.db2.gz OIFOTIHXFZNQRL-LJQANCHMSA-N -1 3 356.447 4.159 20 0 FIADHM Cc1ocnc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093094388 1092298192 /nfs/dbraw/zinc/29/81/92/1092298192.db2.gz OEYQGZQYCDHCNT-UHFFFAOYSA-N -1 3 351.387 4.218 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)cc1C ZINC000432774999 1092318152 /nfs/dbraw/zinc/31/81/52/1092318152.db2.gz GBVARWSNKHYPSN-UHFFFAOYSA-N -1 3 369.870 4.083 20 0 FIADHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000521025614 1092432698 /nfs/dbraw/zinc/43/26/98/1092432698.db2.gz QHFQURWTSNNCPZ-UHFFFAOYSA-N -1 3 359.278 4.169 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1Cl ZINC000442249403 1092522455 /nfs/dbraw/zinc/52/24/55/1092522455.db2.gz KPSZZJGGJRBJKU-UHFFFAOYSA-N -1 3 368.188 4.081 20 0 FIADHM Cc1cccc2nc(-c3ccc(-n4cc(Cl)cn4)c(F)c3)[n-]c(=O)c12 ZINC000447133028 1092629906 /nfs/dbraw/zinc/62/99/06/1092629906.db2.gz NBULUSHVVOYGTR-UHFFFAOYSA-N -1 3 354.772 4.289 20 0 FIADHM COc1ccc2occ(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c2c1 ZINC000442635249 1092696901 /nfs/dbraw/zinc/69/69/01/1092696901.db2.gz IYIHKLBCHBTREL-UHFFFAOYSA-N -1 3 351.280 4.418 20 0 FIADHM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1coc(C2CCCC2)n1 ZINC000549707609 1092713904 /nfs/dbraw/zinc/71/39/04/1092713904.db2.gz NBIFBUAKCVCXFZ-UHFFFAOYSA-N -1 3 357.801 4.023 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(OCC(F)F)cn3)no2)c([O-])c1 ZINC000442681476 1092721802 /nfs/dbraw/zinc/72/18/02/1092721802.db2.gz KLMZGQAFVWYCHR-UHFFFAOYSA-N -1 3 361.348 4.272 20 0 FIADHM O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1coc(C2CCCCC2)n1 ZINC000549772582 1092761136 /nfs/dbraw/zinc/76/11/36/1092761136.db2.gz SDYVAGRRYSZRNI-UHFFFAOYSA-N -1 3 355.369 4.191 20 0 FIADHM CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000332900959 1092954634 /nfs/dbraw/zinc/95/46/34/1092954634.db2.gz NZDCRRQWRVKELM-YOEHRIQHSA-N -1 3 354.454 4.248 20 0 FIADHM CC1CCC(C)(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001211744127 1092975813 /nfs/dbraw/zinc/97/58/13/1092975813.db2.gz PLUBNCSGIVTDHK-UHFFFAOYSA-N -1 3 366.346 4.005 20 0 FIADHM CC1CCC(C)(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001211744395 1092979820 /nfs/dbraw/zinc/97/98/20/1092979820.db2.gz UNBWIVSODJZLEK-UHFFFAOYSA-N -1 3 350.311 4.488 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000522150383 1093125900 /nfs/dbraw/zinc/12/59/00/1093125900.db2.gz GXCCWVJSICKSTK-UHFFFAOYSA-N -1 3 350.374 4.052 20 0 FIADHM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cc([O-])ccc1Cl ZINC000550471684 1093144766 /nfs/dbraw/zinc/14/47/66/1093144766.db2.gz UCIUEXKXBIUBMU-DOMZBBRYSA-N -1 3 366.642 4.094 20 0 FIADHM Cc1ccc(OCc2nc(CNCc3ccc([O-])c(F)c3)cs2)cc1 ZINC000120478198 1093224758 /nfs/dbraw/zinc/22/47/58/1093224758.db2.gz NISPPGOSGCOORK-UHFFFAOYSA-N -1 3 358.438 4.165 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1C ZINC000522274947 1093258549 /nfs/dbraw/zinc/25/85/49/1093258549.db2.gz QAWGDOFRWQHODK-UHFFFAOYSA-N -1 3 371.405 4.104 20 0 FIADHM CCN(Cc1ncoc1C(C)C)Cc1cc(Br)ccc1[O-] ZINC000092798500 1093275973 /nfs/dbraw/zinc/27/59/73/1093275973.db2.gz PLBLPKVQDUPHTG-UHFFFAOYSA-N -1 3 353.260 4.288 20 0 FIADHM CC(C)c1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001211794518 1093335052 /nfs/dbraw/zinc/33/50/52/1093335052.db2.gz WEOFZQRDRSSWLP-GFCCVEGCSA-N -1 3 373.927 4.271 20 0 FIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000433165776 1093355932 /nfs/dbraw/zinc/35/59/32/1093355932.db2.gz VUDRLGSSEBXOPK-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000433169841 1093361278 /nfs/dbraw/zinc/36/12/78/1093361278.db2.gz TUTWUXUSSMKYDU-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)s1 ZINC000512814675 1093385711 /nfs/dbraw/zinc/38/57/11/1093385711.db2.gz OBOISKAEAYIKMX-JTQLQIEISA-N -1 3 363.426 4.369 20 0 FIADHM Cc1cc2cc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)ccc2[nH]1 ZINC000029048391 1093478510 /nfs/dbraw/zinc/47/85/10/1093478510.db2.gz ZIUCUWWLUYKUGC-UHFFFAOYSA-N -1 3 358.463 4.312 20 0 FIADHM O=S(=O)([N-]C[C@H]1CCC(F)(F)C1)c1c(Cl)ccc2ccccc21 ZINC000429909653 1093489155 /nfs/dbraw/zinc/48/91/55/1093489155.db2.gz KZUOYCZZQJHAEK-NSHDSACASA-N -1 3 359.825 4.207 20 0 FIADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1nnc(-c2ccccc2)o1 ZINC000026424374 1093533236 /nfs/dbraw/zinc/53/32/36/1093533236.db2.gz CKTCMPNRMAKTRI-QMMMGPOBSA-N -1 3 352.177 4.290 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1 ZINC000512945100 1093586596 /nfs/dbraw/zinc/58/65/96/1093586596.db2.gz MUHSGAFLTLDKDU-UHFFFAOYSA-N -1 3 358.507 4.021 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000452747801 1093644254 /nfs/dbraw/zinc/64/42/54/1093644254.db2.gz ITIXZRXSSXXPQE-RKDXNWHRSA-N -1 3 366.177 4.380 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)o1 ZINC000509870305 1093655145 /nfs/dbraw/zinc/65/51/45/1093655145.db2.gz MCHAJDZTMLRTRR-UHFFFAOYSA-N -1 3 366.805 4.109 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(C4CCC4)c3)cc2)n1 ZINC000513035118 1093685789 /nfs/dbraw/zinc/68/57/89/1093685789.db2.gz JDNHTQAAGQLYHW-UHFFFAOYSA-N -1 3 359.429 4.265 20 0 FIADHM CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000614346327 1093698664 /nfs/dbraw/zinc/69/86/64/1093698664.db2.gz DKZJONSYEQDEPC-UHFFFAOYSA-N -1 3 360.479 4.233 20 0 FIADHM O=c1nc(CSCC[C@@H]2CCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000419353513 1093726192 /nfs/dbraw/zinc/72/61/92/1093726192.db2.gz JSIGCTBKZLZKKL-NSHDSACASA-N -1 3 362.476 4.317 20 0 FIADHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000034367889 1093738463 /nfs/dbraw/zinc/73/84/63/1093738463.db2.gz SFWGPGHCKDETQE-SECBINFHSA-N -1 3 350.292 4.403 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H]3c3ccccc3)cc2)cc(=O)[n-]1 ZINC000509901266 1093788349 /nfs/dbraw/zinc/78/83/49/1093788349.db2.gz UTONAFDHCMZBIL-IBGZPJMESA-N -1 3 360.417 4.137 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1OCCc2sccc21 ZINC000582138340 1093791333 /nfs/dbraw/zinc/79/13/33/1093791333.db2.gz JAOAPUHBURGYEB-BUXKBTBVSA-N -1 3 353.443 4.039 20 0 FIADHM Cc1ccc([C@H](NC(=O)c2c[n-]c3ccccc3c2=O)c2ccccc2)cc1 ZINC000097106183 1093798343 /nfs/dbraw/zinc/79/83/43/1093798343.db2.gz QNPGSXLTJUYFFK-JOCHJYFZSA-N -1 3 368.436 4.356 20 0 FIADHM CCc1cccc(C(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)c1[O-] ZINC001143555778 1093893054 /nfs/dbraw/zinc/89/30/54/1093893054.db2.gz MTCQSOWPZKLUQL-OAQYLSRUSA-N -1 3 367.489 4.369 20 0 FIADHM COc1csc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)c1 ZINC000473519880 1093926387 /nfs/dbraw/zinc/92/63/87/1093926387.db2.gz HPQZZHSOGDUZGV-UHFFFAOYSA-N -1 3 363.489 4.249 20 0 FIADHM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000433607135 1094018993 /nfs/dbraw/zinc/01/89/93/1094018993.db2.gz VWJWEFUVEORXQN-UHFFFAOYSA-N -1 3 361.463 4.176 20 0 FIADHM CC(C)Oc1cccc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469093134 1094049987 /nfs/dbraw/zinc/04/99/87/1094049987.db2.gz WXJYKWLSVYIWDF-UHFFFAOYSA-N -1 3 359.441 4.300 20 0 FIADHM CCc1nn(-c2ccccc2)c(CC)c1CNCc1c(F)ccc([O-])c1F ZINC000513329099 1094066401 /nfs/dbraw/zinc/06/64/01/1094066401.db2.gz JQXSPOGMYURHDL-UHFFFAOYSA-N -1 3 371.431 4.271 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1C ZINC000513430941 1094119061 /nfs/dbraw/zinc/11/90/61/1094119061.db2.gz BNQGTDLFPSILJB-UHFFFAOYSA-N -1 3 371.405 4.023 20 0 FIADHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ncccc1Cl ZINC000501043177 1094450705 /nfs/dbraw/zinc/45/07/05/1094450705.db2.gz ISOKEKONQZNJLD-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM CC(C)(C)c1ccccc1NC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419598536 1094527782 /nfs/dbraw/zinc/52/77/82/1094527782.db2.gz CMLBNEGNCGPJOI-UHFFFAOYSA-N -1 3 371.506 4.229 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)c(Cl)c3)c2)n1 ZINC000102992416 1094687049 /nfs/dbraw/zinc/68/70/49/1094687049.db2.gz FRIWNZRABICUPI-UHFFFAOYSA-N -1 3 367.836 4.213 20 0 FIADHM CCOc1cc(CNc2ccc(N(C)C(=O)C3CC3)cc2)cc(Cl)c1[O-] ZINC000896566110 1094746101 /nfs/dbraw/zinc/74/61/01/1094746101.db2.gz PEWZFGUVRKMECC-UHFFFAOYSA-N -1 3 374.868 4.429 20 0 FIADHM CCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000192469901 1095083579 /nfs/dbraw/zinc/08/35/79/1095083579.db2.gz UFDFNUKLPGDCOX-NSHDSACASA-N -1 3 353.340 4.340 20 0 FIADHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](c2ccc(F)cc2F)C2CC2)c1 ZINC001126567410 1095101272 /nfs/dbraw/zinc/10/12/72/1095101272.db2.gz BYLSERQWRZKFKW-QGZVFWFLSA-N -1 3 367.342 4.333 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000522530076 1095110789 /nfs/dbraw/zinc/11/07/89/1095110789.db2.gz OCTRZFPDNXOZLF-NXEZZACHSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000522530077 1095111353 /nfs/dbraw/zinc/11/13/53/1095111353.db2.gz OCTRZFPDNXOZLF-UWVGGRQHSA-N -1 3 368.177 4.175 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)c(C)c1 ZINC000522597445 1095172674 /nfs/dbraw/zinc/17/26/74/1095172674.db2.gz KHNZDKGEUWSGAB-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM Cc1cccc(COc2ccc(C[N-]C(=O)C(F)(F)C(F)F)cc2)c1 ZINC001269068445 1095196172 /nfs/dbraw/zinc/19/61/72/1095196172.db2.gz FNIJSIOLFFMTOH-UHFFFAOYSA-N -1 3 355.331 4.091 20 0 FIADHM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000443942059 1095212764 /nfs/dbraw/zinc/21/27/64/1095212764.db2.gz COAXRTLSPNLDNQ-UHFFFAOYSA-N -1 3 362.473 4.491 20 0 FIADHM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([O-])cc2F)cc1 ZINC000639401713 1095374354 /nfs/dbraw/zinc/37/43/54/1095374354.db2.gz PSDJTTBLIGODPP-FQEVSTJZSA-N -1 3 364.376 4.311 20 0 FIADHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1csc(-c3ccc(Cl)cc3)n1)C2 ZINC000280951207 1095462763 /nfs/dbraw/zinc/46/27/63/1095462763.db2.gz HLOQXYYWBLOLSF-UGSOOPFHSA-N -1 3 362.882 4.150 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)s1 ZINC000502577801 1095608058 /nfs/dbraw/zinc/60/80/58/1095608058.db2.gz UMZWRGZTJXWWOO-UHFFFAOYSA-N -1 3 366.418 4.316 20 0 FIADHM FC(F)Oc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)cc1 ZINC000502708384 1095733395 /nfs/dbraw/zinc/73/33/95/1095733395.db2.gz JKVVETULPBBMMO-UHFFFAOYSA-N -1 3 371.372 4.493 20 0 FIADHM O=C(Nc1ncccc1[O-])C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000444305647 1095936370 /nfs/dbraw/zinc/93/63/70/1095936370.db2.gz ULOGXUKJHYNLFA-UHFFFAOYSA-N -1 3 356.731 4.130 20 0 FIADHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)C1CCC(C(F)(F)F)CC1 ZINC000444304652 1095941318 /nfs/dbraw/zinc/94/13/18/1095941318.db2.gz QBPVBUUQHOXJPR-UHFFFAOYSA-N -1 3 373.325 4.084 20 0 FIADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000503054937 1096045944 /nfs/dbraw/zinc/04/59/44/1096045944.db2.gz VTLIMGJCQZIUCF-OAQYLSRUSA-N -1 3 368.436 4.242 20 0 FIADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000503294778 1096351306 /nfs/dbraw/zinc/35/13/06/1096351306.db2.gz YLHHDQPXWHURCT-NSHDSACASA-N -1 3 358.442 4.089 20 0 FIADHM COc1ccccc1-c1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000503582910 1096491131 /nfs/dbraw/zinc/49/11/31/1096491131.db2.gz JAWBIOOIEXLMTQ-UHFFFAOYSA-N -1 3 362.364 4.025 20 0 FIADHM Cc1ccc(-c2ccc(Cl)cc2NC(=O)NCc2cnc(C)[n-]c2=O)o1 ZINC000434202748 1096502340 /nfs/dbraw/zinc/50/23/40/1096502340.db2.gz JHRDMUXYLILKQG-UHFFFAOYSA-N -1 3 372.812 4.034 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC000504276306 1096729841 /nfs/dbraw/zinc/72/98/41/1096729841.db2.gz BRROZJXCUCSQQE-UHFFFAOYSA-N -1 3 370.840 4.242 20 0 FIADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515503241 1098657751 /nfs/dbraw/zinc/65/77/51/1098657751.db2.gz KTDLUCGUWFBNKT-LLVKDONJSA-N -1 3 366.280 4.415 20 0 FIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000515753652 1098910126 /nfs/dbraw/zinc/91/01/26/1098910126.db2.gz HLOWRUSCECQNRF-AWEZNQCLSA-N -1 3 363.788 4.230 20 0 FIADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1c(Cl)cccc1Cl ZINC000515762034 1098919260 /nfs/dbraw/zinc/91/92/60/1098919260.db2.gz MVYITLKCNGSDPJ-UHFFFAOYSA-N -1 3 356.230 4.218 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1 ZINC000515838869 1098974028 /nfs/dbraw/zinc/97/40/28/1098974028.db2.gz VIHZRMAVDGGRPP-UHFFFAOYSA-N -1 3 374.487 4.400 20 0 FIADHM CCCN(C(=O)c1cc(CC)ccc1[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000436499420 1099060021 /nfs/dbraw/zinc/06/00/21/1099060021.db2.gz ZTDAOLZCZHLBIY-MRXNPFEDSA-N -1 3 368.477 4.224 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC(c2ccc(Br)cc2)CC1 ZINC000436500027 1099061196 /nfs/dbraw/zinc/06/11/96/1099061196.db2.gz YGEWBQGWLDYCLH-UHFFFAOYSA-N -1 3 360.251 4.175 20 0 FIADHM Cc1ccc(C(=O)N(Cc2csc(Br)c2)C2CC2)c([O-])c1 ZINC000436520309 1099077734 /nfs/dbraw/zinc/07/77/34/1099077734.db2.gz FIZCEMGTPXRBQF-UHFFFAOYSA-N -1 3 366.280 4.329 20 0 FIADHM CC(C)c1ccc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c([O-])c1 ZINC000436553516 1099100294 /nfs/dbraw/zinc/10/02/94/1099100294.db2.gz HJBTWNQKEWTOLV-NQIIRXRSSA-N -1 3 353.462 4.413 20 0 FIADHM CC(=O)c1cnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436556231 1099100903 /nfs/dbraw/zinc/10/09/03/1099100903.db2.gz RFQOUMAIGNWIAI-UHFFFAOYSA-N -1 3 354.387 4.096 20 0 FIADHM C[C@H](CC(=O)Nc1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000515994095 1099104669 /nfs/dbraw/zinc/10/46/69/1099104669.db2.gz BOEIDJXHIZCDSE-SNVBAGLBSA-N -1 3 352.203 4.426 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c([O-])c1 ZINC000436539311 1099106075 /nfs/dbraw/zinc/10/60/75/1099106075.db2.gz NMPKJSNHXLINTK-MRXNPFEDSA-N -1 3 366.461 4.276 20 0 FIADHM CC(C)N(Cc1cccnc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436560723 1099114662 /nfs/dbraw/zinc/11/46/62/1099114662.db2.gz HCEYEPQNMCWIIM-UHFFFAOYSA-N -1 3 360.457 4.429 20 0 FIADHM CC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(Cl)c1 ZINC000436560326 1099114961 /nfs/dbraw/zinc/11/49/61/1099114961.db2.gz CQJWQZXKBQJVQZ-UHFFFAOYSA-N -1 3 358.825 4.135 20 0 FIADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1[O-] ZINC000533498760 1099122833 /nfs/dbraw/zinc/12/28/33/1099122833.db2.gz KXXLAQCDSALPOJ-GHMZBOCLSA-N -1 3 352.253 4.267 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c([O-])c1 ZINC000436591226 1099123422 /nfs/dbraw/zinc/12/34/22/1099123422.db2.gz VWMVZNKFYQXOFG-INIZCTEOSA-N -1 3 355.825 4.208 20 0 FIADHM CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(C)c(C)c3[O-])c2)n1 ZINC000436581476 1099130527 /nfs/dbraw/zinc/13/05/27/1099130527.db2.gz FPFYOBYPGOGMKS-UHFFFAOYSA-N -1 3 351.406 4.182 20 0 FIADHM COc1ccc(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1Cl ZINC000436584068 1099133973 /nfs/dbraw/zinc/13/39/73/1099133973.db2.gz IQDWSYWITSRJAS-UHFFFAOYSA-N -1 3 361.825 4.044 20 0 FIADHM CC(=O)Nc1cccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000436613643 1099147380 /nfs/dbraw/zinc/14/73/80/1099147380.db2.gz WRGYEXORYQJGOY-UHFFFAOYSA-N -1 3 360.413 4.194 20 0 FIADHM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436614191 1099149873 /nfs/dbraw/zinc/14/98/73/1099149873.db2.gz ZQIDOGMYECIXBO-IAGOWNOFSA-N -1 3 369.461 4.340 20 0 FIADHM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436614192 1099150412 /nfs/dbraw/zinc/15/04/12/1099150412.db2.gz ZQIDOGMYECIXBO-IRXDYDNUSA-N -1 3 369.461 4.340 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000436627456 1099155877 /nfs/dbraw/zinc/15/58/77/1099155877.db2.gz WERUZSITIPFEKI-OAHLLOKOSA-N -1 3 352.217 4.382 20 0 FIADHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436632412 1099161277 /nfs/dbraw/zinc/16/12/77/1099161277.db2.gz ZCOKVDRJEOLVEJ-APPDUMDISA-N -1 3 365.351 4.340 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cc1[O-] ZINC000436667666 1099196496 /nfs/dbraw/zinc/19/64/96/1099196496.db2.gz UQYKOMXFLJGLPC-UHFFFAOYSA-N -1 3 371.396 4.186 20 0 FIADHM CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000533617075 1099215385 /nfs/dbraw/zinc/21/53/85/1099215385.db2.gz NCZBYCHSLLKMRW-UHFFFAOYSA-N -1 3 368.220 4.045 20 0 FIADHM CCCC(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000436682732 1099215811 /nfs/dbraw/zinc/21/58/11/1099215811.db2.gz RKBUKAHMNWULDD-UHFFFAOYSA-N -1 3 368.433 4.097 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC000436690935 1099225301 /nfs/dbraw/zinc/22/53/01/1099225301.db2.gz SEXSYDOAVWIWKG-UHFFFAOYSA-N -1 3 374.431 4.146 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(F)(c3cccnc3)CC2)c([O-])c1 ZINC000436699227 1099233315 /nfs/dbraw/zinc/23/33/15/1099233315.db2.gz PJNMAELBIVHHPW-UHFFFAOYSA-N -1 3 372.440 4.067 20 0 FIADHM Cc1sc2ncnc(SCc3noc(-c4ccccc4[O-])n3)c2c1C ZINC000436706896 1099237415 /nfs/dbraw/zinc/23/74/15/1099237415.db2.gz QEHQYOKLQKAZSR-UHFFFAOYSA-N -1 3 370.459 4.356 20 0 FIADHM CC[C@H](C)N[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccco1 ZINC000436712534 1099245294 /nfs/dbraw/zinc/24/52/94/1099245294.db2.gz GJPUCVKNZUXBLC-GWCFXTLKSA-N -1 3 371.264 4.151 20 0 FIADHM O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)c1ccccc1[O-] ZINC000436719975 1099252166 /nfs/dbraw/zinc/25/21/66/1099252166.db2.gz CSHQMGAXUVNNOV-UHFFFAOYSA-N -1 3 356.385 4.097 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c1[O-] ZINC000436744510 1099265889 /nfs/dbraw/zinc/26/58/89/1099265889.db2.gz MWQUWFFQYYNQFJ-UHFFFAOYSA-N -1 3 373.412 4.180 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC(c2cccc(Br)c2)CC1 ZINC000436747597 1099280750 /nfs/dbraw/zinc/28/07/50/1099280750.db2.gz LTARKTZQEQWGSV-UHFFFAOYSA-N -1 3 360.251 4.175 20 0 FIADHM CC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1Cl ZINC000436756873 1099291321 /nfs/dbraw/zinc/29/13/21/1099291321.db2.gz QXQIHCCLTIHZHL-UHFFFAOYSA-N -1 3 358.825 4.135 20 0 FIADHM C[C@@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1ccccc1C(F)(F)F ZINC000533674835 1099314838 /nfs/dbraw/zinc/31/48/38/1099314838.db2.gz LPNUSQJPHYOMMN-LBPRGKRZSA-N -1 3 374.366 4.045 20 0 FIADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436788311 1099321068 /nfs/dbraw/zinc/32/10/68/1099321068.db2.gz XAJCESCDZHIESO-ICSRJNTNSA-N -1 3 366.461 4.149 20 0 FIADHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(OC)cc1[O-] ZINC000436793380 1099324814 /nfs/dbraw/zinc/32/48/14/1099324814.db2.gz QUQXUGKSOROIPO-UHFFFAOYSA-N -1 3 362.429 4.125 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c([O-])c1 ZINC000436797299 1099329074 /nfs/dbraw/zinc/32/90/74/1099329074.db2.gz DXAYTBIUCKCFFZ-UHFFFAOYSA-N -1 3 370.792 4.452 20 0 FIADHM COc1ccc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c([O-])c1 ZINC000436839222 1099344703 /nfs/dbraw/zinc/34/47/03/1099344703.db2.gz NLDVYSLUACJMTP-IBGZPJMESA-N -1 3 361.388 4.103 20 0 FIADHM Cc1cc(CN(C)C(=O)c2ccccc2[O-])cc(C)c1OCC(F)(F)F ZINC000436824299 1099351976 /nfs/dbraw/zinc/35/19/76/1099351976.db2.gz GKXIBEMJRKYPPL-UHFFFAOYSA-N -1 3 367.367 4.222 20 0 FIADHM [O-]c1ccc(Nc2ccc(I)c(F)c2)c(F)c1F ZINC001212007663 1099374078 /nfs/dbraw/zinc/37/40/78/1099374078.db2.gz VBXRPTIKFGSORX-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM CC1(c2ccc(Nc3ccc([O-])c(F)c3F)cc2Br)COC1 ZINC001212013981 1099378326 /nfs/dbraw/zinc/37/83/26/1099378326.db2.gz SZDFFLYAWRZEGU-UHFFFAOYSA-N -1 3 370.193 4.464 20 0 FIADHM CO[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C(C)C ZINC000436906032 1099414149 /nfs/dbraw/zinc/41/41/49/1099414149.db2.gz AGJHCKJSTWGORU-KRWDZBQOSA-N -1 3 356.447 4.278 20 0 FIADHM [O-]c1ccccc1-c1nc(Cc2ccc(OCc3ccccn3)cc2)no1 ZINC000436901063 1099426341 /nfs/dbraw/zinc/42/63/41/1099426341.db2.gz LMKXNSBHAQIVJB-UHFFFAOYSA-N -1 3 359.385 4.007 20 0 FIADHM CC(C)c1ccc(-c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)c([O-])c1 ZINC000436932717 1099446087 /nfs/dbraw/zinc/44/60/87/1099446087.db2.gz DFMWMZPKKQUODZ-HNNXBMFYSA-N -1 3 363.417 4.086 20 0 FIADHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436984400 1099477352 /nfs/dbraw/zinc/47/73/52/1099477352.db2.gz AWQMMLQSTNLSFI-SUMWQHHRSA-N -1 3 363.379 4.396 20 0 FIADHM O=c1nc(C=Cc2ccc([O-])c(F)c2)[nH]c2sc(Br)cc21 ZINC000436973631 1099481829 /nfs/dbraw/zinc/48/18/29/1099481829.db2.gz UFHODCAPZRBWNL-DUXPYHPUSA-N -1 3 367.199 4.175 20 0 FIADHM CC[C@@](C)(OC)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436985264 1099503159 /nfs/dbraw/zinc/50/31/59/1099503159.db2.gz NZEHNIAKUJYQJF-LJQANCHMSA-N -1 3 356.447 4.423 20 0 FIADHM C[C@@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1nccs1 ZINC000436985267 1099503546 /nfs/dbraw/zinc/50/35/46/1099503546.db2.gz NZGYSGCTJQJZCF-ZDUSSCGKSA-N -1 3 354.431 4.175 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000436984646 1099505613 /nfs/dbraw/zinc/50/56/13/1099505613.db2.gz YYZODQYKGANCKM-UHFFFAOYSA-N -1 3 361.397 4.426 20 0 FIADHM O=C1CCCN1c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000437000474 1099522312 /nfs/dbraw/zinc/52/23/12/1099522312.db2.gz UHYSQIPPRIASFJ-UHFFFAOYSA-N -1 3 371.396 4.389 20 0 FIADHM CC(C)N(CC(=O)[O-])Cc1ccc(-c2cccc(Br)c2)s1 ZINC000263522375 1099800820 /nfs/dbraw/zinc/80/08/20/1099800820.db2.gz RRHOHPUWVAOFSA-UHFFFAOYSA-N -1 3 368.296 4.473 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccoc1C(F)(F)F ZINC000516902448 1099913494 /nfs/dbraw/zinc/91/34/94/1099913494.db2.gz OZTHZLYUGZWGSD-UHFFFAOYSA-N -1 3 350.090 4.019 20 0 FIADHM CC(C)Oc1ccc2ccccc2c1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000516932606 1099940580 /nfs/dbraw/zinc/94/05/80/1099940580.db2.gz VYOZXWJYNZZESL-LJQANCHMSA-N -1 3 353.462 4.314 20 0 FIADHM COc1cc(CN(C)Cc2c(F)ccc([O-])c2F)c(SC)cc1OC ZINC000508726237 1099957079 /nfs/dbraw/zinc/95/70/79/1099957079.db2.gz RTYGFWYQCVUCFS-UHFFFAOYSA-N -1 3 369.433 4.042 20 0 FIADHM [O-]c1cccc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1Br ZINC000459398113 1100105043 /nfs/dbraw/zinc/10/50/43/1100105043.db2.gz SUORFRUKWBHJLS-FUHWJXTLSA-N -1 3 362.267 4.165 20 0 FIADHM Cc1nc(C(C)(C)NCc2cccc([O-])c2Br)sc1C ZINC000459408165 1100130449 /nfs/dbraw/zinc/13/04/49/1100130449.db2.gz INQMDCSVLHRFML-UHFFFAOYSA-N -1 3 355.301 4.253 20 0 FIADHM CCC(CC)c1cc(CNCc2cccc([O-])c2Br)on1 ZINC000459422820 1100153291 /nfs/dbraw/zinc/15/32/91/1100153291.db2.gz OCMAMRASBGMJLD-UHFFFAOYSA-N -1 3 353.260 4.336 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c1 ZINC000536690448 1100184453 /nfs/dbraw/zinc/18/44/53/1100184453.db2.gz SOKDCYCLHPJFLO-UHFFFAOYSA-N -1 3 354.450 4.500 20 0 FIADHM [O-]c1cccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c1Br ZINC000459467500 1100211187 /nfs/dbraw/zinc/21/11/87/1100211187.db2.gz QHVAOKLAHNZBOU-CRAIPNDOSA-N -1 3 362.267 4.022 20 0 FIADHM CCn1ccnc1[C@@H]1CCCCN1Cc1cccc([O-])c1Br ZINC000459524257 1100273452 /nfs/dbraw/zinc/27/34/52/1100273452.db2.gz ZGRSFKTZTQHSAO-AWEZNQCLSA-N -1 3 364.287 4.098 20 0 FIADHM COc1cc2c(cc1F)CC[C@H]2NCc1cccc([O-])c1Br ZINC000459529738 1100278955 /nfs/dbraw/zinc/27/89/55/1100278955.db2.gz CSQRBMUHLIEYGE-CQSZACIVSA-N -1 3 366.230 4.080 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C ZINC000517487348 1100416499 /nfs/dbraw/zinc/41/64/99/1100416499.db2.gz IIZUEEDGPHRCMZ-UHFFFAOYSA-N -1 3 373.416 4.100 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2ncsc2-c2ccccc2)[nH][n-]1 ZINC000438269449 1100558508 /nfs/dbraw/zinc/55/85/08/1100558508.db2.gz IOSFXEMJGRDDEL-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c(C)c1 ZINC000517688779 1100597186 /nfs/dbraw/zinc/59/71/86/1100597186.db2.gz CTGIBAKXMFDVMY-UHFFFAOYSA-N -1 3 374.487 4.318 20 0 FIADHM Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2c1 ZINC000438362096 1100618947 /nfs/dbraw/zinc/61/89/47/1100618947.db2.gz WQDXCOXGYRNCOL-UHFFFAOYSA-N -1 3 373.416 4.359 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCCCCC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000517865811 1100741929 /nfs/dbraw/zinc/74/19/29/1100741929.db2.gz PBBMBEMBXUXLQJ-UHFFFAOYSA-N -1 3 356.470 4.496 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)c(F)c2)cc1 ZINC000518050839 1100879823 /nfs/dbraw/zinc/87/98/23/1100879823.db2.gz JTYGEZSKKGHHMF-UHFFFAOYSA-N -1 3 372.403 4.260 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1O ZINC000438769882 1100906379 /nfs/dbraw/zinc/90/63/79/1100906379.db2.gz GILWRHFMPRWCRT-UHFFFAOYSA-N -1 3 369.442 4.080 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1Br ZINC000438792584 1100921983 /nfs/dbraw/zinc/92/19/83/1100921983.db2.gz PZBOZMJXFUKDEA-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(C)c2C)[nH][n-]1 ZINC000518332337 1101101127 /nfs/dbraw/zinc/10/11/27/1101101127.db2.gz SIRHQSULCMVCFK-UHFFFAOYSA-N -1 3 355.825 4.030 20 0 FIADHM COc1ccc(Cl)cc1NCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000439094776 1101150845 /nfs/dbraw/zinc/15/08/45/1101150845.db2.gz JPGNUZOGRWBOLM-UHFFFAOYSA-N -1 3 355.221 4.148 20 0 FIADHM CC(C)(C)c1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648433774 1101334730 /nfs/dbraw/zinc/33/47/30/1101334730.db2.gz NXUMLOSBAZJXNA-UHFFFAOYSA-N -1 3 359.779 4.071 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@H](c2cccnc2)C1 ZINC000518775449 1101538862 /nfs/dbraw/zinc/53/88/62/1101538862.db2.gz PTFZQUZLAMBDOQ-NRFANRHFSA-N -1 3 372.468 4.202 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(SCc3cccnc3)cc2)c1 ZINC000120903042 1101553758 /nfs/dbraw/zinc/55/37/58/1101553758.db2.gz AANVUWFQXQQWHQ-UHFFFAOYSA-N -1 3 366.442 4.340 20 0 FIADHM CCOc1cc(-c2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000445427051 1101643164 /nfs/dbraw/zinc/64/31/64/1101643164.db2.gz MRGIYQXHNNMZLB-TUAOUCFPSA-N -1 3 365.861 4.428 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185287120 1101692238 /nfs/dbraw/zinc/69/22/38/1101692238.db2.gz NJBSYXUOXNYRID-UHFFFAOYSA-N -1 3 366.848 4.201 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000506678090 1101769889 /nfs/dbraw/zinc/76/98/89/1101769889.db2.gz ZNPCOPBWEPZPLT-UHFFFAOYSA-N -1 3 353.852 4.364 20 0 FIADHM Cc1cc(Br)cc(Cl)c1[N-]S(=O)(=O)c1ccsc1 ZINC000506686862 1101787881 /nfs/dbraw/zinc/78/78/81/1101787881.db2.gz AISGCESEKUGASR-UHFFFAOYSA-N -1 3 366.689 4.273 20 0 FIADHM COC(=O)c1cnc(SCc2nc(C)c(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000187598640 1101812523 /nfs/dbraw/zinc/81/25/23/1101812523.db2.gz LCTWARYUAYVHPF-UHFFFAOYSA-N -1 3 363.826 4.105 20 0 FIADHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000475810289 1101930016 /nfs/dbraw/zinc/93/00/16/1101930016.db2.gz BEJOHRUDBAMECQ-UHFFFAOYSA-N -1 3 355.818 4.181 20 0 FIADHM CCOc1ccccc1CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476140721 1101969137 /nfs/dbraw/zinc/96/91/37/1101969137.db2.gz HAHNZMJQHZNUNG-UHFFFAOYSA-N -1 3 353.340 4.381 20 0 FIADHM COc1ccc(C2(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CCC2)cc1 ZINC000476145985 1101980437 /nfs/dbraw/zinc/98/04/37/1101980437.db2.gz IJCIEFGKOCCSPP-UHFFFAOYSA-N -1 3 365.351 4.480 20 0 FIADHM CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000519200024 1102002666 /nfs/dbraw/zinc/00/26/66/1102002666.db2.gz PEWLLLVDUBTHRP-UHFFFAOYSA-N -1 3 374.868 4.102 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1C ZINC000475834498 1102133869 /nfs/dbraw/zinc/13/38/69/1102133869.db2.gz PJCNRYDBOIQSOQ-UHFFFAOYSA-N -1 3 352.459 4.475 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(CN(C)C)c1 ZINC000506805422 1102148254 /nfs/dbraw/zinc/14/82/54/1102148254.db2.gz LDBYLXOXKAHQKY-UHFFFAOYSA-N -1 3 360.504 4.072 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(F)c(Cl)cc1Cl ZINC000053209641 1102221044 /nfs/dbraw/zinc/22/10/44/1102221044.db2.gz GVXGUOUMVGUMIO-UHFFFAOYSA-N -1 3 358.181 4.496 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(N2CCCC2=O)ccc1Cl ZINC000120793454 1102265987 /nfs/dbraw/zinc/26/59/87/1102265987.db2.gz DURPNLNNCIVIGK-UHFFFAOYSA-N -1 3 365.216 4.078 20 0 FIADHM CCCc1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1ccccc1C ZINC000519517189 1102273406 /nfs/dbraw/zinc/27/34/06/1102273406.db2.gz MIMLHADETYNHRA-UHFFFAOYSA-N -1 3 353.397 4.230 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@]3(C)CC=C(C)CC3)c2)n1 ZINC000666587858 1102317745 /nfs/dbraw/zinc/31/77/45/1102317745.db2.gz PTPSMORBSLPEEG-OAQYLSRUSA-N -1 3 351.450 4.487 20 0 FIADHM COc1ccc2c(c1)oc(C(=O)NCc1ncccc1[O-])c2-c1ccccc1 ZINC000473634367 1102338940 /nfs/dbraw/zinc/33/89/40/1102338940.db2.gz SORJMCCHHWGHCD-UHFFFAOYSA-N -1 3 374.396 4.139 20 0 FIADHM O=C([N-]c1c(F)cccc1F)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000121638070 1102428401 /nfs/dbraw/zinc/42/84/01/1102428401.db2.gz AQRBWABYSPZRPH-UHFFFAOYSA-N -1 3 374.778 4.329 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)C[C@H](C)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000473776236 1102728652 /nfs/dbraw/zinc/72/86/52/1102728652.db2.gz MHZRUHRLXIEQPS-HZSPNIEDSA-N -1 3 354.454 4.056 20 0 FIADHM CSc1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)o1 ZINC000112239160 1102834970 /nfs/dbraw/zinc/83/49/70/1102834970.db2.gz GZFGNZAIDKMQBE-UHFFFAOYSA-N -1 3 351.840 4.426 20 0 FIADHM Cc1nc2c(s1)[C@H](N(C)Cc1cccc([O-])c1Br)CCC2 ZINC000459336958 1102848081 /nfs/dbraw/zinc/84/80/81/1102848081.db2.gz ALAFWLZRVBGDNV-CYBMUJFWSA-N -1 3 367.312 4.429 20 0 FIADHM C=Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001211943246 1102880271 /nfs/dbraw/zinc/88/02/71/1102880271.db2.gz DMQPAZZUKKFKAQ-UHFFFAOYSA-N -1 3 356.274 4.157 20 0 FIADHM Cc1nc2ccccc2cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000551087292 1102907008 /nfs/dbraw/zinc/90/70/08/1102907008.db2.gz PXRZAHHROJVFGF-UHFFFAOYSA-N -1 3 357.207 4.264 20 0 FIADHM C[C@@H]1CCc2nc(CNCCC[C@H](Cc3ccccc3)C(=O)[O-])sc2C1 ZINC000426675749 1102922156 /nfs/dbraw/zinc/92/21/56/1102922156.db2.gz VVMFAOLSXPDBEN-NVXWUHKLSA-N -1 3 372.534 4.081 20 0 FIADHM O=C([O-])[C@@H](CNCc1c(F)cccc1Cl)Cc1cccc(Cl)c1 ZINC000426698590 1102928396 /nfs/dbraw/zinc/92/83/96/1102928396.db2.gz ZLBQMWHBTNSBFX-GFCCVEGCSA-N -1 3 356.224 4.166 20 0 FIADHM CCCCOc1cc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1OC ZINC000426688358 1102933727 /nfs/dbraw/zinc/93/37/27/1102933727.db2.gz VGVSIXUZOKVZTK-FQEVSTJZSA-N -1 3 357.450 4.098 20 0 FIADHM CCCCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1OC ZINC000426688360 1102933769 /nfs/dbraw/zinc/93/37/69/1102933769.db2.gz VGVSIXUZOKVZTK-HXUWFJFHSA-N -1 3 357.450 4.098 20 0 FIADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1Br ZINC000426692232 1102936586 /nfs/dbraw/zinc/93/65/86/1102936586.db2.gz QASAHKARCNHRAP-CQSZACIVSA-N -1 3 354.269 4.125 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(Cl)c(Br)c1)c1ccsc1 ZINC000426695069 1102936613 /nfs/dbraw/zinc/93/66/13/1102936613.db2.gz LTHRRUQPFUHDDY-CYBMUJFWSA-N -1 3 374.687 4.470 20 0 FIADHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1OC ZINC000426733031 1102951649 /nfs/dbraw/zinc/95/16/49/1102951649.db2.gz LCVSQHXZSBVDPT-FQEVSTJZSA-N -1 3 357.450 4.016 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1cccc(Cl)c1 ZINC000426738573 1102957302 /nfs/dbraw/zinc/95/73/02/1102957302.db2.gz XFURKVZRUOTBGQ-HNNXBMFYSA-N -1 3 373.758 4.197 20 0 FIADHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1OCC ZINC000426744143 1102959154 /nfs/dbraw/zinc/95/91/54/1102959154.db2.gz QBHIJRKICBVFNU-HXUWFJFHSA-N -1 3 357.450 4.016 20 0 FIADHM CC1([C@H](NCc2csc(-c3cccs3)n2)C(=O)[O-])CCCCC1 ZINC000426745945 1102961808 /nfs/dbraw/zinc/96/18/08/1102961808.db2.gz IPYHRHUWBAQFSU-CQSZACIVSA-N -1 3 350.509 4.385 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(OCC(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000426755735 1102971654 /nfs/dbraw/zinc/97/16/54/1102971654.db2.gz FNVKBFNJCVXHEH-INIZCTEOSA-N -1 3 373.758 4.039 20 0 FIADHM O=C([O-])[C@H](NCc1coc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000426781010 1102982448 /nfs/dbraw/zinc/98/24/48/1102982448.db2.gz XFCIIMOYEOVVKA-NAVXVDNBSA-N -1 3 366.461 4.101 20 0 FIADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c(OC)c1 ZINC000426806138 1102988224 /nfs/dbraw/zinc/98/82/24/1102988224.db2.gz AOIGPPGQEIKJAV-IBGZPJMESA-N -1 3 357.450 4.133 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(CC(C)C)cc2)cc1OC ZINC000426796818 1102996332 /nfs/dbraw/zinc/99/63/32/1102996332.db2.gz CKKFQIHOUPNTQN-IBGZPJMESA-N -1 3 371.477 4.208 20 0 FIADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cnn(-c3ccccc3)c2)cc1 ZINC000426818439 1103012380 /nfs/dbraw/zinc/01/23/80/1103012380.db2.gz RUGSBGIOTNTPQH-OAQYLSRUSA-N -1 3 363.461 4.301 20 0 FIADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc2cccc(F)c2o1 ZINC000152470894 1103200264 /nfs/dbraw/zinc/20/02/64/1103200264.db2.gz CPKFKUFCVVGFBG-VOTSOKGWSA-N -1 3 355.350 4.439 20 0 FIADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000532836521 1103259085 /nfs/dbraw/zinc/25/90/85/1103259085.db2.gz CRXRSWLHVDCWIF-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM CCc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1Cc1ccccc1 ZINC000532839445 1103262975 /nfs/dbraw/zinc/26/29/75/1103262975.db2.gz IKWWIFJOHBNLGE-UHFFFAOYSA-N -1 3 355.825 4.105 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2ncccc2Cl)CC1 ZINC000507295206 1103277461 /nfs/dbraw/zinc/27/74/61/1103277461.db2.gz LMUZYVSDJYSREN-UHFFFAOYSA-N -1 3 351.233 4.114 20 0 FIADHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)s1 ZINC000427249112 1103377992 /nfs/dbraw/zinc/37/79/92/1103377992.db2.gz JIIYKIIGYYNWRU-VIFPVBQESA-N -1 3 365.307 4.106 20 0 FIADHM COc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1SC ZINC000477402143 1103460880 /nfs/dbraw/zinc/46/08/80/1103460880.db2.gz FENUICMYLGLNSA-GHRIWEEISA-N -1 3 364.470 4.284 20 0 FIADHM C[C@@H]1CCc2c(sc3nc(-c4ccnc(OC(F)F)c4)[n-]c(=O)c32)C1 ZINC000507678545 1103606617 /nfs/dbraw/zinc/60/66/17/1103606617.db2.gz PURMZRHHKTUPDO-MRVPVSSYSA-N -1 3 363.389 4.185 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(F)c(Cl)cc1Cl ZINC000519998083 1104021724 /nfs/dbraw/zinc/02/17/24/1104021724.db2.gz AOLKAFPWMSCYFE-UHFFFAOYSA-N -1 3 350.180 4.197 20 0 FIADHM CCSc1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c(Br)c1 ZINC000629486859 1104028869 /nfs/dbraw/zinc/02/88/69/1104028869.db2.gz CDDLDLIRJYJBBR-XHDPSFHLSA-N -1 3 372.328 4.246 20 0 FIADHM Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)c1 ZINC000461135658 1104128361 /nfs/dbraw/zinc/12/83/61/1104128361.db2.gz YPJRTEJZUHVJNP-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM O=C([N-]c1c(F)cccc1F)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000102213859 1104355566 /nfs/dbraw/zinc/35/55/66/1104355566.db2.gz BLCKLEPVNSLUOT-UHFFFAOYSA-N -1 3 360.341 4.069 20 0 FIADHM O=S(=O)([N-]c1ccsc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000189742166 1104841990 /nfs/dbraw/zinc/84/19/90/1104841990.db2.gz PLMNTYXFFDFEJR-UHFFFAOYSA-N -1 3 357.762 4.101 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000189821713 1104846600 /nfs/dbraw/zinc/84/66/00/1104846600.db2.gz QHVDTCJHYRQNKO-UHFFFAOYSA-N -1 3 365.867 4.105 20 0 FIADHM CSCc1cnc(CNC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000417548144 1104961363 /nfs/dbraw/zinc/96/13/63/1104961363.db2.gz QAMZJDQIXSFAMZ-GFCCVEGCSA-N -1 3 370.927 4.008 20 0 FIADHM O=C([O-])[C@H](CC(F)F)NCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000417596667 1105004663 /nfs/dbraw/zinc/00/46/63/1105004663.db2.gz QKOUXUDXKJNBHK-NSHDSACASA-N -1 3 364.175 4.451 20 0 FIADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1cnc(-c2ccccn2)s1 ZINC000441613416 1105030472 /nfs/dbraw/zinc/03/04/72/1105030472.db2.gz RBEXPTALPMBZLY-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM Cc1ccc(OCc2nc(CNC(C)(C)C[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000417638246 1105037256 /nfs/dbraw/zinc/03/72/56/1105037256.db2.gz OSIJIVPZADCLFW-CQSZACIVSA-N -1 3 362.495 4.010 20 0 FIADHM O=S(=O)([N-]Cc1ccccc1OC1CCCC1)c1ccc(Cl)s1 ZINC000614619366 1105047494 /nfs/dbraw/zinc/04/74/94/1105047494.db2.gz DELACFJZCVCZPW-UHFFFAOYSA-N -1 3 371.911 4.201 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c(C)c1 ZINC000441718630 1105118354 /nfs/dbraw/zinc/11/83/54/1105118354.db2.gz OGYHRAOBFRVSRY-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1 ZINC000441720521 1105120819 /nfs/dbraw/zinc/12/08/19/1105120819.db2.gz SJUGVOPLOASORR-UHFFFAOYSA-N -1 3 373.396 4.381 20 0 FIADHM CC(C)c1cc(C(=O)[N-]c2cc(-c3ccc(Br)o3)no2)on1 ZINC000427670856 1105238214 /nfs/dbraw/zinc/23/82/14/1105238214.db2.gz GDMBVMMTPSOANU-UHFFFAOYSA-N -1 3 366.171 4.061 20 0 FIADHM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1csc2ccccc21 ZINC000508226915 1105365598 /nfs/dbraw/zinc/36/55/98/1105365598.db2.gz ZZIHRDTXBKNNMT-UHFFFAOYSA-N -1 3 365.863 4.290 20 0 FIADHM Cc1cc([C@H](C)N2CCC[C@@]3(CCc4ccccc4O3)C2)oc1C(=O)[O-] ZINC000530173285 1106903892 /nfs/dbraw/zinc/90/38/92/1106903892.db2.gz TZFMTHSNXUNPKF-YCRPNKLZSA-N -1 3 355.434 4.207 20 0 FIADHM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000451677630 1107243789 /nfs/dbraw/zinc/24/37/89/1107243789.db2.gz VEMBQUYRXWTUIM-KBXCAEBGSA-N -1 3 357.425 4.082 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(c4ccsc4)CC3)nc2)n1 ZINC000302368058 1107359060 /nfs/dbraw/zinc/35/90/60/1107359060.db2.gz CFRZRFQDWWDNFJ-UHFFFAOYSA-N -1 3 366.490 4.252 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(Cl)cc3F)nc2)n1 ZINC000302381736 1107359999 /nfs/dbraw/zinc/35/99/99/1107359999.db2.gz BWFBNUOBARZTQH-UHFFFAOYSA-N -1 3 358.804 4.211 20 0 FIADHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000530917322 1107394587 /nfs/dbraw/zinc/39/45/87/1107394587.db2.gz FUJQMAKUIXTSPB-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])c(C)n1C(C)C ZINC000531015297 1107464278 /nfs/dbraw/zinc/46/42/78/1107464278.db2.gz OUEFIQZWTJEYSG-UHFFFAOYSA-N -1 3 351.244 4.406 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1csc(-c2c(F)cccc2F)n1 ZINC000531134612 1107569115 /nfs/dbraw/zinc/56/91/15/1107569115.db2.gz CNPDWLKXZQOIKP-UHFFFAOYSA-N -1 3 350.321 4.185 20 0 FIADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Br)ccc1[O-] ZINC000531155338 1107612329 /nfs/dbraw/zinc/61/23/29/1107612329.db2.gz VABZPOSXQFKSLG-VIFPVBQESA-N -1 3 370.630 4.214 20 0 FIADHM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000531288087 1107729792 /nfs/dbraw/zinc/72/97/92/1107729792.db2.gz HBTOFMLKKBBJEC-UHFFFAOYSA-N -1 3 373.206 4.370 20 0 FIADHM CC(C)c1cc(C(=O)Nc2cc(F)ccc2[O-])c2cnn(C(C)C)c2n1 ZINC000531373766 1107816543 /nfs/dbraw/zinc/81/65/43/1107816543.db2.gz NXVDWVWAYDIKHB-UHFFFAOYSA-N -1 3 356.401 4.233 20 0 FIADHM O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc([O-])c(F)c1 ZINC000610011694 1107893181 /nfs/dbraw/zinc/89/31/81/1107893181.db2.gz MVBVEONWANAQRC-UHFFFAOYSA-N -1 3 374.264 4.388 20 0 FIADHM Cc1c(Br)ccc([O-])c1NC(=O)c1cnc(C(C)C)s1 ZINC000452746996 1107930233 /nfs/dbraw/zinc/93/02/33/1107930233.db2.gz HIAQBJKVDZOQGN-UHFFFAOYSA-N -1 3 355.257 4.295 20 0 FIADHM CCO[C@@H](CC(=O)Nc1c([O-])ccc(Br)c1C)C1=CCCC1 ZINC000452763630 1107942357 /nfs/dbraw/zinc/94/23/57/1107942357.db2.gz ZTDCFRUQQMUWDS-HNNXBMFYSA-N -1 3 368.271 4.307 20 0 FIADHM CCO[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H]1C ZINC000452847233 1107975070 /nfs/dbraw/zinc/97/50/70/1107975070.db2.gz XKQHJASPEVBZJY-VGSWGCGISA-N -1 3 367.489 4.065 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000523206572 1107982952 /nfs/dbraw/zinc/98/29/52/1107982952.db2.gz KWNHSWCZEMACBD-UHFFFAOYSA-N -1 3 373.239 4.033 20 0 FIADHM O=C(CCc1nc2cc(Cl)ccc2s1)NCc1ccc([O-])c(F)c1 ZINC000523425059 1108194629 /nfs/dbraw/zinc/19/46/29/1108194629.db2.gz AOVPQOYXQLGGAR-UHFFFAOYSA-N -1 3 364.829 4.043 20 0 FIADHM CS[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000523528721 1108291425 /nfs/dbraw/zinc/29/14/25/1108291425.db2.gz MPFUCHDFHFUTQA-CQSZACIVSA-N -1 3 352.253 4.198 20 0 FIADHM CSc1nc(NC(=O)CSc2cccc3cccc(Cl)c32)n[n-]1 ZINC000523656508 1108410030 /nfs/dbraw/zinc/41/00/30/1108410030.db2.gz UFOJKDBXLPAWHP-UHFFFAOYSA-N -1 3 364.883 4.064 20 0 FIADHM Cc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1Oc1ccncc1 ZINC000523756016 1108501131 /nfs/dbraw/zinc/50/11/31/1108501131.db2.gz WKSXDJBANBEYHS-UHFFFAOYSA-N -1 3 370.412 4.247 20 0 FIADHM CC[C@@H](C)c1ccc(NC(=O)Cc2noc(-c3ccccc3[O-])n2)cc1 ZINC000445273631 1108590865 /nfs/dbraw/zinc/59/08/65/1108590865.db2.gz JDBCFJJDDJBAPR-CYBMUJFWSA-N -1 3 351.406 4.137 20 0 FIADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2ccc(Br)cn2)c1 ZINC000453616020 1108659797 /nfs/dbraw/zinc/65/97/97/1108659797.db2.gz RPXFLEXGEPQHPJ-INIZCTEOSA-N -1 3 351.219 4.026 20 0 FIADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)CN(CC(F)(F)F)C3)c1F ZINC000453623276 1108668188 /nfs/dbraw/zinc/66/81/88/1108668188.db2.gz YQTZADJQEAEOOA-UHFFFAOYSA-N -1 3 358.310 4.160 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccccc3C(F)(F)F)[nH][n-]2)c1 ZINC000523944994 1108695818 /nfs/dbraw/zinc/69/58/18/1108695818.db2.gz QUBRDMFVKHUXKR-UHFFFAOYSA-N -1 3 359.351 4.387 20 0 FIADHM O=c1[n-]nc(SCCCc2cccc3ccccc32)n1C[C@@H]1CCCO1 ZINC000524033062 1108764272 /nfs/dbraw/zinc/76/42/72/1108764272.db2.gz AWLJDSFEOABWFG-KRWDZBQOSA-N -1 3 369.490 4.041 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(OC(F)F)c2)CC)n1 ZINC000193618281 1108783700 /nfs/dbraw/zinc/78/37/00/1108783700.db2.gz PYCSJYUOVDPQGP-LCYFTJDESA-N -1 3 364.392 4.283 20 0 FIADHM Cc1c([O-])ccc2c(CNc3cccc(COCC4CC4)c3)cc(=O)oc12 ZINC000121582067 1108861795 /nfs/dbraw/zinc/86/17/95/1108861795.db2.gz XSRDLQSVOHWHFZ-UHFFFAOYSA-N -1 3 365.429 4.346 20 0 FIADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)c1ccccc1Cl)c1ccco1 ZINC000445717140 1108963721 /nfs/dbraw/zinc/96/37/21/1108963721.db2.gz ZWRDZQGHRRBKSY-QGZVFWFLSA-N -1 3 365.813 4.140 20 0 FIADHM O=C([N-]c1c(F)cc(Br)cc1F)c1cnc(C2CC2)s1 ZINC000525285585 1109327908 /nfs/dbraw/zinc/32/79/08/1109327908.db2.gz WWMODUPUJCYNBI-UHFFFAOYSA-N -1 3 359.195 4.314 20 0 FIADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000193242974 1109351339 /nfs/dbraw/zinc/35/13/39/1109351339.db2.gz HWRLCJGPIVFUMM-NSHDSACASA-N -1 3 365.351 4.482 20 0 FIADHM O=S(=O)([N-]C1(c2cccc(Cl)c2)CC1)c1cc(F)ccc1Cl ZINC000525403098 1109372741 /nfs/dbraw/zinc/37/27/41/1109372741.db2.gz DPVGCPXTHFJFKJ-UHFFFAOYSA-N -1 3 360.237 4.100 20 0 FIADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)c(C)ccc1Cl ZINC000446972033 1109407710 /nfs/dbraw/zinc/40/77/10/1109407710.db2.gz JMUGYVGNNRILPZ-UHFFFAOYSA-N -1 3 353.871 4.383 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc(Cl)cc1 ZINC000447271829 1109493729 /nfs/dbraw/zinc/49/37/29/1109493729.db2.gz AAOCWPFMUJSBNA-UHFFFAOYSA-N -1 3 369.723 4.020 20 0 FIADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@@H](C)S1 ZINC000525773188 1109513958 /nfs/dbraw/zinc/51/39/58/1109513958.db2.gz SBWMASBZAJUGKP-HZPDHXFCSA-N -1 3 355.503 4.143 20 0 FIADHM Cc1cccc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cn2)c1C ZINC000526116512 1109625477 /nfs/dbraw/zinc/62/54/77/1109625477.db2.gz QTUIWHCBWFVISW-UHFFFAOYSA-N -1 3 359.389 4.014 20 0 FIADHM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000447784859 1109645002 /nfs/dbraw/zinc/64/50/02/1109645002.db2.gz BXMLCMVODHENCR-UHFFFAOYSA-N -1 3 360.479 4.133 20 0 FIADHM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000526913206 1109645423 /nfs/dbraw/zinc/64/54/23/1109645423.db2.gz MELNLTGFRRCVEY-HNNXBMFYSA-N -1 3 369.461 4.129 20 0 FIADHM Cc1noc(-c2ccc(C)c(NC(=O)CCCc3ccc([O-])c(F)c3)c2)n1 ZINC000527039489 1109674644 /nfs/dbraw/zinc/67/46/44/1109674644.db2.gz RBMOGDKCMGERPS-UHFFFAOYSA-N -1 3 369.396 4.160 20 0 FIADHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H]1c1cccs1 ZINC000527683665 1109810957 /nfs/dbraw/zinc/81/09/57/1109810957.db2.gz NVLHPFQOPRJPIV-CYBMUJFWSA-N -1 3 352.253 4.194 20 0 FIADHM CCC(CC)n1nc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)cc1C ZINC000448537909 1109817471 /nfs/dbraw/zinc/81/74/71/1109817471.db2.gz KWIBPEALEVVDES-UHFFFAOYSA-N -1 3 356.401 4.021 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)c3ccco3)c2)n1 ZINC000528031974 1109888729 /nfs/dbraw/zinc/88/87/29/1109888729.db2.gz YZQRPWSCTZTCJD-ZDUSSCGKSA-N -1 3 351.406 4.137 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)cc1 ZINC000461209028 1111110459 /nfs/dbraw/zinc/11/04/59/1111110459.db2.gz VWWAJQFEDDCTGS-UHFFFAOYSA-N -1 3 373.503 4.012 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000539106796 1111425388 /nfs/dbraw/zinc/42/53/88/1111425388.db2.gz IOXDCNOEDKOJOT-SFHVURJKSA-N -1 3 361.850 4.309 20 0 FIADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1cc(-c2ccccn2)no1 ZINC000462008726 1111463290 /nfs/dbraw/zinc/46/32/90/1111463290.db2.gz QAGUYOUFBLFQTK-UHFFFAOYSA-N -1 3 351.259 4.147 20 0 FIADHM CC[C@@H](C)n1ncc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1C1CC1 ZINC000539319566 1111512040 /nfs/dbraw/zinc/51/20/40/1111512040.db2.gz BDKLOPOYYWOXJW-CQSZACIVSA-N -1 3 363.465 4.104 20 0 FIADHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000539375665 1111536282 /nfs/dbraw/zinc/53/62/82/1111536282.db2.gz WBFPFIJQLPTUCF-UHFFFAOYSA-N -1 3 357.439 4.130 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(Cl)sc2Cl)c1F ZINC000478083853 1111673832 /nfs/dbraw/zinc/67/38/32/1111673832.db2.gz KRNOPDXHUXKADK-UHFFFAOYSA-N -1 3 366.172 4.372 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](C)c4ccccc43)c[n-]c12 ZINC000552845040 1111827134 /nfs/dbraw/zinc/82/71/34/1111827134.db2.gz FLABFFWWHJDIQE-LBPRGKRZSA-N -1 3 350.393 4.130 20 0 FIADHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553010658 1111880963 /nfs/dbraw/zinc/88/09/63/1111880963.db2.gz UBPYTTVCOZXQLD-UHFFFAOYSA-N -1 3 365.364 4.243 20 0 FIADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cncc(Cl)c3)cc2s1 ZINC000479270861 1111983467 /nfs/dbraw/zinc/98/34/67/1111983467.db2.gz AQMASYFSYVKJHV-UHFFFAOYSA-N -1 3 374.274 4.107 20 0 FIADHM O=C(c1ccccc1)c1ccccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000479519692 1112058185 /nfs/dbraw/zinc/05/81/85/1112058185.db2.gz VIPJVENYNVQBMC-UHFFFAOYSA-N -1 3 371.845 4.372 20 0 FIADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1c[n-]c2ccccc2c1=O ZINC000553828399 1112106329 /nfs/dbraw/zinc/10/63/29/1112106329.db2.gz GFXTUAUJOMELOQ-CQSZACIVSA-N -1 3 358.850 4.050 20 0 FIADHM Cc1cc(CN2CCC(c3nc4ccccc4s3)CC2)oc1C(=O)[O-] ZINC000567173010 1112231027 /nfs/dbraw/zinc/23/10/27/1112231027.db2.gz JFGZQPVIISFTGG-UHFFFAOYSA-N -1 3 356.447 4.276 20 0 FIADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c1 ZINC000554689906 1112450750 /nfs/dbraw/zinc/45/07/50/1112450750.db2.gz LNTLNKURAQDSOS-UHFFFAOYSA-N -1 3 354.431 4.237 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(Cl)c1 ZINC000481475725 1112954989 /nfs/dbraw/zinc/95/49/89/1112954989.db2.gz ILZUJHOUWPXNAD-UHFFFAOYSA-N -1 3 355.619 4.130 20 0 FIADHM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cc([O-])ccc1Cl ZINC000555686252 1112967768 /nfs/dbraw/zinc/96/77/68/1112967768.db2.gz CWEMJGSVPKSXIQ-UHFFFAOYSA-N -1 3 366.244 4.135 20 0 FIADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448664575 1112968980 /nfs/dbraw/zinc/96/89/80/1112968980.db2.gz JQVNMMLDKGWPSC-NSHDSACASA-N -1 3 355.331 4.312 20 0 FIADHM CCOCCCn1c(NC(=O)c2cc([O-])ccc2Cl)nc2ccccc21 ZINC000555819522 1113010046 /nfs/dbraw/zinc/01/00/46/1113010046.db2.gz LXDMJRQWKMQKRI-UHFFFAOYSA-N -1 3 373.840 4.074 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC000481888003 1113118180 /nfs/dbraw/zinc/11/81/80/1113118180.db2.gz JBRMCOVWNRUFEW-UHFFFAOYSA-N -1 3 358.246 4.038 20 0 FIADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@H]1C(F)(F)F ZINC000482017972 1113156354 /nfs/dbraw/zinc/15/63/54/1113156354.db2.gz POSRIUXNVNMEJA-OAHLLOKOSA-N -1 3 361.379 4.291 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cc2cc(Cl)ccc2s1 ZINC000486686878 1113623607 /nfs/dbraw/zinc/62/36/07/1113623607.db2.gz ZOCZQCLQZINWLV-LLVKDONJSA-N -1 3 365.854 4.411 20 0 FIADHM Cc1c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)sc2nccn12 ZINC000486721309 1113629717 /nfs/dbraw/zinc/62/97/17/1113629717.db2.gz CISCRVZDRFYGOW-UHFFFAOYSA-N -1 3 369.475 4.092 20 0 FIADHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(C3CC3)n2)s1 ZINC000908404993 1113641243 /nfs/dbraw/zinc/64/12/43/1113641243.db2.gz YCBFGEDEDWESBW-UHFFFAOYSA-N -1 3 360.439 4.015 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2c(C)cccc2Br)[nH][n-]1 ZINC000486834313 1113655779 /nfs/dbraw/zinc/65/57/79/1113655779.db2.gz ORCQNYSFQOJJOS-UHFFFAOYSA-N -1 3 370.250 4.130 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(C(F)F)cc1 ZINC000488688083 1113973448 /nfs/dbraw/zinc/97/34/48/1113973448.db2.gz RNGOBGBQUSHPPT-UHFFFAOYSA-N -1 3 356.166 4.022 20 0 FIADHM Cc1cc(Cl)cc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000488676498 1113974785 /nfs/dbraw/zinc/97/47/85/1113974785.db2.gz OXKBYYGFGUWKGN-UHFFFAOYSA-N -1 3 354.631 4.047 20 0 FIADHM CC(C)(C)c1nc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cs1 ZINC000490329121 1114273978 /nfs/dbraw/zinc/27/39/78/1114273978.db2.gz IJDHWFPKAZPEFM-VOTSOKGWSA-N -1 3 360.464 4.308 20 0 FIADHM Cc1nc(S(=O)(=O)Cc2ccc(F)cc2Cl)[n-]c1-c1ccccc1 ZINC000490410187 1114285059 /nfs/dbraw/zinc/28/50/59/1114285059.db2.gz BXOKEGDORGBEDY-UHFFFAOYSA-N -1 3 364.829 4.152 20 0 FIADHM Cc1[n-]c(S(=O)(=O)Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000490410187 1114285062 /nfs/dbraw/zinc/28/50/62/1114285062.db2.gz BXOKEGDORGBEDY-UHFFFAOYSA-N -1 3 364.829 4.152 20 0 FIADHM COc1cc(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)cc(OC)c1[O-] ZINC000490427572 1114286591 /nfs/dbraw/zinc/28/65/91/1114286591.db2.gz BYIQOJJBNUVNLX-LJQANCHMSA-N -1 3 373.424 4.210 20 0 FIADHM O=C1Nc2c(cc(F)cc2Br)C1=N[N-]c1ncccc1Cl ZINC000054884527 1114399989 /nfs/dbraw/zinc/39/99/89/1114399989.db2.gz QXYNSEYZYFTLFG-UHFFFAOYSA-N -1 3 369.581 4.054 20 0 FIADHM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc([O-])ccc1Cl ZINC000571118421 1114436176 /nfs/dbraw/zinc/43/61/76/1114436176.db2.gz PYDUDONGAMLAGC-UHFFFAOYSA-N -1 3 354.189 4.113 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(C2CCOCC2)CC1 ZINC000571811722 1114541127 /nfs/dbraw/zinc/54/11/27/1114541127.db2.gz ZZWONHSKBFOGSE-KRWDZBQOSA-N -1 3 372.292 4.258 20 0 FIADHM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000588832980 1114662305 /nfs/dbraw/zinc/66/23/05/1114662305.db2.gz AWXJRXAVQKXQFJ-HNNXBMFYSA-N -1 3 363.479 4.290 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000669312269 1114677947 /nfs/dbraw/zinc/67/79/47/1114677947.db2.gz KADIKDSEQCCKDY-AWEZNQCLSA-N -1 3 359.516 4.369 20 0 FIADHM O=c1cc(CNc2ccc(C(F)(F)C(F)(F)F)cc2)nc(C2CC2)[n-]1 ZINC000669318101 1114698301 /nfs/dbraw/zinc/69/83/01/1114698301.db2.gz DFLIXGXCQLNWMX-UHFFFAOYSA-N -1 3 359.298 4.326 20 0 FIADHM O=S(=O)([N-][C@H](c1ccc(F)cc1)C1CCC1)c1ccc(Cl)s1 ZINC000591392392 1115077254 /nfs/dbraw/zinc/07/72/54/1115077254.db2.gz IKWALDUJSCPLAA-HNNXBMFYSA-N -1 3 359.875 4.360 20 0 FIADHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)CC3 ZINC000498399686 1115127885 /nfs/dbraw/zinc/12/78/85/1115127885.db2.gz SSMVGIXOIPEJFP-LBPRGKRZSA-N -1 3 354.837 4.123 20 0 FIADHM COC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(Cl)c1 ZINC000573910212 1115195403 /nfs/dbraw/zinc/19/54/03/1115195403.db2.gz ZTSYWXWQRSJYSJ-QGZVFWFLSA-N -1 3 365.832 4.011 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C)c3ccccc23)c(F)cc1F ZINC001212174712 1115379128 /nfs/dbraw/zinc/37/91/28/1115379128.db2.gz PVWVRLSRIFKQQG-UHFFFAOYSA-N -1 3 361.413 4.213 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc4cc[nH]c4c3)nc(=O)c2c1C ZINC000046470561 1115385383 /nfs/dbraw/zinc/38/53/83/1115385383.db2.gz UHVPXACMCSBIKW-JTQLQIEISA-N -1 3 367.430 4.001 20 0 FIADHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000781043763 1115685643 /nfs/dbraw/zinc/68/56/43/1115685643.db2.gz AYVDKFLXNCHJCV-UHFFFAOYSA-N -1 3 371.771 4.121 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000599446839 1115815621 /nfs/dbraw/zinc/81/56/21/1115815621.db2.gz KMPJCNHKMHZIBN-CQSZACIVSA-N -1 3 373.453 4.326 20 0 FIADHM O=S(=O)([N-]CCOC1CCCCCC1)c1c(Cl)cccc1Cl ZINC000605320175 1115889246 /nfs/dbraw/zinc/88/92/46/1115889246.db2.gz JBOAYKSQTHOMTG-UHFFFAOYSA-N -1 3 366.310 4.011 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)c(C)c1 ZINC000606343354 1115934598 /nfs/dbraw/zinc/93/45/98/1115934598.db2.gz URFAKSMBOAXEIJ-UHFFFAOYSA-N -1 3 373.396 4.354 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000606537231 1115953848 /nfs/dbraw/zinc/95/38/48/1115953848.db2.gz FSOSPTJYUASRMN-QWHCGFSZSA-N -1 3 354.208 4.258 20 0 FIADHM CC(C)COc1ccc(C(C)(C)NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000606683419 1115964081 /nfs/dbraw/zinc/96/40/81/1115964081.db2.gz XRVANNDABUCDPA-UHFFFAOYSA-N -1 3 374.456 4.301 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1 ZINC000606754559 1115967472 /nfs/dbraw/zinc/96/74/72/1115967472.db2.gz WVYDURQDJMHDLE-UHFFFAOYSA-N -1 3 362.470 4.179 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc(C)c1F ZINC000608020457 1116078834 /nfs/dbraw/zinc/07/88/34/1116078834.db2.gz LFMJIFGRGWJJHK-OAHLLOKOSA-N -1 3 361.360 4.024 20 0 FIADHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000608033199 1116079039 /nfs/dbraw/zinc/07/90/39/1116079039.db2.gz ZKKKAWONBHTBDT-GOEBONIOSA-N -1 3 356.274 4.002 20 0 FIADHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533971130 1116098138 /nfs/dbraw/zinc/09/81/38/1116098138.db2.gz DONSPMCBVRANEB-UHFFFAOYSA-N -1 3 351.859 4.242 20 0 FIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2csc([C@@H]3CCCO3)n2)c1F ZINC000534191915 1116170177 /nfs/dbraw/zinc/17/01/77/1116170177.db2.gz CXBSSSFQKFLNJS-NSHDSACASA-N -1 3 358.797 4.487 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)c1 ZINC000534360995 1116190996 /nfs/dbraw/zinc/19/09/96/1116190996.db2.gz UMUCRKQBUWZPNJ-UHFFFAOYSA-N -1 3 374.440 4.309 20 0 FIADHM COC[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000457025123 1116241284 /nfs/dbraw/zinc/24/12/84/1116241284.db2.gz DJXJRWFQIASSCH-HXUWFJFHSA-N -1 3 367.489 4.066 20 0 FIADHM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])cnn1-c1ccc(F)cc1F ZINC000535420256 1116304024 /nfs/dbraw/zinc/30/40/24/1116304024.db2.gz BFMGLFWYNJKZKM-UHFFFAOYSA-N -1 3 363.751 4.070 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2occc2-c2ccc(F)cc2)c([O-])c1 ZINC000540025283 1117822111 /nfs/dbraw/zinc/82/21/11/1117822111.db2.gz SNHCPNVDZDXQRV-UHFFFAOYSA-N -1 3 369.348 4.220 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@@H]3C(C)C)cc2)cc1 ZINC000463229724 1118037504 /nfs/dbraw/zinc/03/75/04/1118037504.db2.gz DALZEEPQWPAAGL-RTBURBONSA-N -1 3 372.490 4.026 20 0 FIADHM COC(=O)c1ccsc1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000463458325 1118164887 /nfs/dbraw/zinc/16/48/87/1118164887.db2.gz WTZRDRKSBKEVBI-UHFFFAOYSA-N -1 3 365.279 4.084 20 0 FIADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(Cc2cccs2)CCCCC1 ZINC000463724781 1118297782 /nfs/dbraw/zinc/29/77/82/1118297782.db2.gz SQPZVOPOWNCNOQ-UHFFFAOYSA-N -1 3 367.478 4.060 20 0 FIADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(Cc2cccs2)CCCCC1 ZINC000463724781 1118297787 /nfs/dbraw/zinc/29/77/87/1118297787.db2.gz SQPZVOPOWNCNOQ-UHFFFAOYSA-N -1 3 367.478 4.060 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccccc1-c1ccno1 ZINC000541076688 1118371846 /nfs/dbraw/zinc/37/18/46/1118371846.db2.gz FWJBKDFELQXQMN-UHFFFAOYSA-N -1 3 370.764 4.074 20 0 FIADHM CCC(C)(C)OCc1ccccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000541632555 1118589638 /nfs/dbraw/zinc/58/96/38/1118589638.db2.gz GDSBSSQSCDQWCQ-UHFFFAOYSA-N -1 3 371.481 4.076 20 0 FIADHM COc1ccc(-c2csc(NC(=O)c3cccc(C)c3[O-])n2)cc1OC ZINC000301993053 1118590018 /nfs/dbraw/zinc/59/00/18/1118590018.db2.gz AQVCTNDSYNXXLD-UHFFFAOYSA-N -1 3 370.430 4.094 20 0 FIADHM COc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1[O-] ZINC000302001425 1118591506 /nfs/dbraw/zinc/59/15/06/1118591506.db2.gz ZBSMMNXMPVOTEY-UHFFFAOYSA-N -1 3 358.394 4.224 20 0 FIADHM O=C1CC[C@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)c3cccc1c32 ZINC000464628527 1118629102 /nfs/dbraw/zinc/62/91/02/1118629102.db2.gz PYZNISRVPNSTFK-LBPRGKRZSA-N -1 3 371.396 4.162 20 0 FIADHM O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000541987620 1118730615 /nfs/dbraw/zinc/73/06/15/1118730615.db2.gz APCNXMUOWYJPIG-UHFFFAOYSA-N -1 3 364.420 4.123 20 0 FIADHM O=C(CC(c1ccccc1)c1ccccc1)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000492222281 1119049510 /nfs/dbraw/zinc/04/95/10/1119049510.db2.gz HJLLFRZTUQQRMY-UHFFFAOYSA-N -1 3 368.440 4.054 20 0 FIADHM O=C(Cc1cccc2cccnc21)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152157490 1119128260 /nfs/dbraw/zinc/12/82/60/1119128260.db2.gz IOXKNRYJWUUNIF-UHFFFAOYSA-N -1 3 360.335 4.044 20 0 FIADHM O=C([N-]c1nc(-c2ccccc2F)co1)c1ncsc1C(F)(F)F ZINC000669979475 1119283729 /nfs/dbraw/zinc/28/37/29/1119283729.db2.gz SRKNSPRMUBUIDX-UHFFFAOYSA-N -1 3 357.288 4.208 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cc(F)ccc1Cl ZINC000176728703 1119290672 /nfs/dbraw/zinc/29/06/72/1119290672.db2.gz ZXSXCGFGWRKAGI-UHFFFAOYSA-N -1 3 356.152 4.212 20 0 FIADHM CC(C)N(C(=O)CSc1nnc([N-]c2ccccc2F)s1)C(C)C ZINC000003587876 1119383303 /nfs/dbraw/zinc/38/33/03/1119383303.db2.gz MRLLWKYQQRVMCS-UHFFFAOYSA-N -1 3 368.503 4.158 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1c[nH]c2cccc(F)c21 ZINC000185260542 1119650421 /nfs/dbraw/zinc/65/04/21/1119650421.db2.gz ZMEYKEVEXRRSEV-UHFFFAOYSA-N -1 3 360.744 4.039 20 0 FIADHM Cc1ccc(-c2nnc3n2CCCCC3)cc1NCc1cc([O-])cc(F)c1 ZINC000185586049 1119673876 /nfs/dbraw/zinc/67/38/76/1119673876.db2.gz FPXJMQIJPCOTRG-UHFFFAOYSA-N -1 3 366.440 4.437 20 0 FIADHM Cc1[n-]c(S(=O)(=O)Cc2ccc(C(F)F)cc2)nc1-c1ccccc1 ZINC000186835721 1119751989 /nfs/dbraw/zinc/75/19/89/1119751989.db2.gz BQUIOIJNMSHHAN-UHFFFAOYSA-N -1 3 362.401 4.297 20 0 FIADHM Cc1nc(S(=O)(=O)Cc2ccc(C(F)F)cc2)[n-]c1-c1ccccc1 ZINC000186835721 1119751992 /nfs/dbraw/zinc/75/19/92/1119751992.db2.gz BQUIOIJNMSHHAN-UHFFFAOYSA-N -1 3 362.401 4.297 20 0 FIADHM Cc1nc(S(=O)(=O)[C@@H](C)c2ccc(F)c(F)c2)[n-]c1-c1ccccc1 ZINC000186841473 1119752228 /nfs/dbraw/zinc/75/22/28/1119752228.db2.gz CISHYAMNCYZDQI-LBPRGKRZSA-N -1 3 362.401 4.198 20 0 FIADHM Cc1[n-]c(S(=O)(=O)[C@@H](C)c2ccc(F)c(F)c2)nc1-c1ccccc1 ZINC000186841473 1119752234 /nfs/dbraw/zinc/75/22/34/1119752234.db2.gz CISHYAMNCYZDQI-LBPRGKRZSA-N -1 3 362.401 4.198 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1 ZINC000152559208 1119787003 /nfs/dbraw/zinc/78/70/03/1119787003.db2.gz HKWHFXIQHFFYBY-UHFFFAOYSA-N -1 3 372.471 4.042 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)cc1 ZINC000494501181 1119881443 /nfs/dbraw/zinc/88/14/43/1119881443.db2.gz HNHOJWNVVFPSMH-UHFFFAOYSA-N -1 3 358.507 4.158 20 0 FIADHM CC(C)(C)n1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(Br)n1 ZINC000780400165 1119978755 /nfs/dbraw/zinc/97/87/55/1119978755.db2.gz HTJFHPCUKVRPOU-UHFFFAOYSA-N -1 3 372.650 4.012 20 0 FIADHM CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000914469482 1120168648 /nfs/dbraw/zinc/16/86/48/1120168648.db2.gz ZPOOQPRBGRGUMR-KAMYIIQDSA-N -1 3 372.490 4.008 20 0 FIADHM O=C1OCCN1c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000761735433 1120285131 /nfs/dbraw/zinc/28/51/31/1120285131.db2.gz KZHZVFWJBNGQMY-UHFFFAOYSA-N -1 3 373.368 4.219 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC000227870129 1120406866 /nfs/dbraw/zinc/40/68/66/1120406866.db2.gz YJJDQLUVDGHTKU-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1sc2[n-]c([C@@H](C)OC(=O)C(F)=C3CCCC3)nc(=O)c2c1C ZINC000761967719 1120596248 /nfs/dbraw/zinc/59/62/48/1120596248.db2.gz BXNLGGQOCZQDIK-SECBINFHSA-N -1 3 350.415 4.416 20 0 FIADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(CC2CCOCC2)no1 ZINC000761973602 1120612512 /nfs/dbraw/zinc/61/25/12/1120612512.db2.gz ARKLREMINVQACA-UHFFFAOYSA-N -1 3 350.418 4.002 20 0 FIADHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914890388 1120628790 /nfs/dbraw/zinc/62/87/90/1120628790.db2.gz DZGRCKPJDJDIIM-JTQLQIEISA-N -1 3 362.838 4.375 20 0 FIADHM CC(C)[C@@H](NC(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccc(F)cc1 ZINC000914891506 1120629906 /nfs/dbraw/zinc/62/99/06/1120629906.db2.gz RCWIKQINKYMUKT-QGZVFWFLSA-N -1 3 374.437 4.039 20 0 FIADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccccc1F ZINC000914892162 1120630097 /nfs/dbraw/zinc/63/00/97/1120630097.db2.gz SLFYUOZYPPFVGF-OAHLLOKOSA-N -1 3 360.410 4.189 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000914892157 1120630143 /nfs/dbraw/zinc/63/01/43/1120630143.db2.gz SFXGKYMUYCXLCK-XPKDYRNWSA-N -1 3 362.495 4.106 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(C(C)C)n3)nc(=O)c2c1C ZINC000762044235 1120669978 /nfs/dbraw/zinc/66/99/78/1120669978.db2.gz FBKVDCDAVNMESM-NSHDSACASA-N -1 3 371.462 4.450 20 0 FIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Br)cc1 ZINC000235505793 1120948924 /nfs/dbraw/zinc/94/89/24/1120948924.db2.gz FSKMTHQRTGIRHH-VIFPVBQESA-N -1 3 354.631 4.299 20 0 FIADHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Br)c(Cl)c1 ZINC000236456301 1120965609 /nfs/dbraw/zinc/96/56/09/1120965609.db2.gz ITJBPHGOJSKCRG-UGFHNGPFSA-N -1 3 372.690 4.320 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1OC ZINC000026527792 1121096523 /nfs/dbraw/zinc/09/65/23/1121096523.db2.gz SIBFVXNVMRRPQG-UHFFFAOYSA-N -1 3 363.479 4.111 20 0 FIADHM O=c1nc(CN(Cc2ccc(F)cc2)C2CCCCC2)[n-]c2ccsc21 ZINC000018940369 1121099534 /nfs/dbraw/zinc/09/95/34/1121099534.db2.gz GRQNXNURJZSWSQ-UHFFFAOYSA-N -1 3 371.481 4.459 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1C ZINC000032588660 1121111067 /nfs/dbraw/zinc/11/10/67/1121111067.db2.gz WKQXBWXFIOYDGG-UHFFFAOYSA-N -1 3 374.487 4.236 20 0 FIADHM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)S1 ZINC000915839999 1121124560 /nfs/dbraw/zinc/12/45/60/1121124560.db2.gz JTRQGOJQBJHGRJ-MHWRWJLKSA-N -1 3 365.389 4.002 20 0 FIADHM CCOc1cc([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)cc(Cl)c1[O-] ZINC000054440262 1121197942 /nfs/dbraw/zinc/19/79/42/1121197942.db2.gz REFHRXPLJPXRLM-MRXNPFEDSA-N -1 3 367.232 4.294 20 0 FIADHM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1cc([O-])c2ccccc2c1 ZINC000472476248 1121243614 /nfs/dbraw/zinc/24/36/14/1121243614.db2.gz IPJMBXMBTCEEMP-GOSISDBHSA-N -1 3 351.377 4.328 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000472524485 1121256713 /nfs/dbraw/zinc/25/67/13/1121256713.db2.gz SVFVGQUDDFPNRW-HXUWFJFHSA-N -1 3 361.441 4.019 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@@H]1c1ccccc1Cl ZINC000056099234 1121297891 /nfs/dbraw/zinc/29/78/91/1121297891.db2.gz XICFKUMQGUDGKT-GOSISDBHSA-N -1 3 352.821 4.159 20 0 FIADHM Cc1ccc(Oc2ccc(NC([O-])=NO[C@H]3CCCCO3)cn2)cc1C ZINC000763264995 1121309257 /nfs/dbraw/zinc/30/92/57/1121309257.db2.gz BPRCWOWAZQKOHV-SFHVURJKSA-N -1 3 357.410 4.070 20 0 FIADHM Cc1ccc(Oc2ccc(NC(=O)[N-]O[C@H]3CCCCO3)cn2)cc1C ZINC000763264995 1121309264 /nfs/dbraw/zinc/30/92/64/1121309264.db2.gz BPRCWOWAZQKOHV-SFHVURJKSA-N -1 3 357.410 4.070 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)s1)c1cccc(Cl)c1Cl ZINC000028317947 1121489102 /nfs/dbraw/zinc/48/91/02/1121489102.db2.gz HCAPUXICGYMEGQ-UHFFFAOYSA-N -1 3 356.683 4.187 20 0 FIADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000061211268 1121510433 /nfs/dbraw/zinc/51/04/33/1121510433.db2.gz VTLIMGJCQZIUCF-NRFANRHFSA-N -1 3 368.436 4.242 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](c3ccccc3)C3CC3)c2)n1 ZINC000123999484 1121653252 /nfs/dbraw/zinc/65/32/52/1121653252.db2.gz WGHVSJSBPVXCAL-NRFANRHFSA-N -1 3 373.456 4.132 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3sccc3C3CC3)c2)n1 ZINC000067201503 1121771656 /nfs/dbraw/zinc/77/16/56/1121771656.db2.gz GFYHGXALSCDAFS-UHFFFAOYSA-N -1 3 365.458 4.191 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc4cc(C)ccc34)nc21 ZINC001127418742 1121845859 /nfs/dbraw/zinc/84/58/59/1121845859.db2.gz KJGCILGEVMZZTQ-UHFFFAOYSA-N -1 3 365.414 4.125 20 0 FIADHM CCOc1cc(CNc2cc(OC)c(OC)cc2C)cc(Cl)c1[O-] ZINC000916839128 1121882896 /nfs/dbraw/zinc/88/28/96/1121882896.db2.gz YCSINTFGTWOOKM-UHFFFAOYSA-N -1 3 351.830 4.382 20 0 FIADHM CC[C@H](C)[C@@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC001127420369 1121887574 /nfs/dbraw/zinc/88/75/74/1121887574.db2.gz XTSCIAJYQMHFIP-SUMWQHHRSA-N -1 3 365.433 4.118 20 0 FIADHM CCCOc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1Cl ZINC000065503426 1121949217 /nfs/dbraw/zinc/94/92/17/1121949217.db2.gz CTLDMDRKDIBLAG-UHFFFAOYSA-N -1 3 356.809 4.223 20 0 FIADHM C[C@H](C(=O)Nc1cccc(N[C@@H](C)c2ccc(F)cc2[O-])c1)n1cccn1 ZINC000186268081 1121993250 /nfs/dbraw/zinc/99/32/50/1121993250.db2.gz JVJGXRUIHWWNDB-UONOGXRCSA-N -1 3 368.412 4.101 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(CC(C)C)CCCC3)cc2)n1 ZINC000127496517 1122106018 /nfs/dbraw/zinc/10/60/18/1122106018.db2.gz IRVCBKLZXPWNHA-UHFFFAOYSA-N -1 3 353.466 4.290 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000105954691 1122174672 /nfs/dbraw/zinc/17/46/72/1122174672.db2.gz DZJKUGHGAOURFQ-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM CC(=O)c1csc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC000106630956 1122231739 /nfs/dbraw/zinc/23/17/39/1122231739.db2.gz RFCJLUROKMGWEM-UHFFFAOYSA-N -1 3 363.851 4.375 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)cc1C ZINC000055582423 1122254756 /nfs/dbraw/zinc/25/47/56/1122254756.db2.gz XDDMEMILFYSYEB-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(C)cc4[O-])CC3)c2c1 ZINC000055680537 1122260749 /nfs/dbraw/zinc/26/07/49/1122260749.db2.gz CYCRKKJVYSLSMM-UHFFFAOYSA-N -1 3 364.445 4.210 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ccc(F)cc1F ZINC000056248665 1122305879 /nfs/dbraw/zinc/30/58/79/1122305879.db2.gz VXKWZKMSSQERHI-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186441874 1122315738 /nfs/dbraw/zinc/31/57/38/1122315738.db2.gz IBJNWCQTWKVVLH-SFHVURJKSA-N -1 3 350.245 4.330 20 0 FIADHM CCOc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1Cl ZINC000917939763 1122493318 /nfs/dbraw/zinc/49/33/18/1122493318.db2.gz UTQJGPQBGHPCFN-UHFFFAOYSA-N -1 3 359.809 4.471 20 0 FIADHM O=C(OCc1nc(-c2ccccc2)cs1)c1cc(-c2ccco2)[n-]n1 ZINC000917950317 1122504878 /nfs/dbraw/zinc/50/48/78/1122504878.db2.gz BBZPALIPSKRFBY-UHFFFAOYSA-N -1 3 351.387 4.150 20 0 FIADHM O=C(OCc1nc(-c2ccccc2)cs1)c1cc(-c2ccco2)n[n-]1 ZINC000917950317 1122504883 /nfs/dbraw/zinc/50/48/83/1122504883.db2.gz BBZPALIPSKRFBY-UHFFFAOYSA-N -1 3 351.387 4.150 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000129346817 1122572619 /nfs/dbraw/zinc/57/26/19/1122572619.db2.gz KLXPWGZGHVMMBI-NRFANRHFSA-N -1 3 362.404 4.274 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1Cl ZINC000918162821 1122578816 /nfs/dbraw/zinc/57/88/16/1122578816.db2.gz CLNVCWQUQGNSPH-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3nc(-c4cccs4)no3)n[n-]2)o1 ZINC000919327031 1122952083 /nfs/dbraw/zinc/95/20/83/1122952083.db2.gz WTDMGMIZIZCLQI-JTQLQIEISA-N -1 3 370.390 4.008 20 0 FIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3nc(-c4cccs4)no3)[n-]n2)o1 ZINC000919327031 1122952087 /nfs/dbraw/zinc/95/20/87/1122952087.db2.gz WTDMGMIZIZCLQI-JTQLQIEISA-N -1 3 370.390 4.008 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)s1 ZINC000131445909 1123074624 /nfs/dbraw/zinc/07/46/24/1123074624.db2.gz VCZQWOFKKNDLCE-UHFFFAOYSA-N -1 3 364.536 4.016 20 0 FIADHM COc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])ccc1OCCC(C)C ZINC000556892035 1123179399 /nfs/dbraw/zinc/17/93/99/1123179399.db2.gz GNIUKWMMRXBQFO-UHFFFAOYSA-N -1 3 371.433 4.281 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1[O-] ZINC000556893650 1123180111 /nfs/dbraw/zinc/18/01/11/1123180111.db2.gz XTMVDKIPKZRCAC-UHFFFAOYSA-N -1 3 351.358 4.019 20 0 FIADHM Cc1onc(-c2ccncc2)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000132253573 1123235618 /nfs/dbraw/zinc/23/56/18/1123235618.db2.gz BQCOEZGQMQVRLS-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM CCc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cnn1CC(C)C ZINC000132739703 1123355023 /nfs/dbraw/zinc/35/50/23/1123355023.db2.gz GKWQKXSHZOHLLU-UHFFFAOYSA-N -1 3 355.360 4.078 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c(C)c1 ZINC000132795405 1123361558 /nfs/dbraw/zinc/36/15/58/1123361558.db2.gz ALLUQSZVYPQOFJ-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000074513580 1123371240 /nfs/dbraw/zinc/37/12/40/1123371240.db2.gz XIRFOMSRGPJIBA-MRXNPFEDSA-N -1 3 353.466 4.290 20 0 FIADHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1scnc1C1CC1 ZINC000133111793 1123423574 /nfs/dbraw/zinc/42/35/74/1123423574.db2.gz HKACFIRBNLNZOD-UHFFFAOYSA-N -1 3 374.516 4.417 20 0 FIADHM CCOC(=O)Nc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000920888316 1123534809 /nfs/dbraw/zinc/53/48/09/1123534809.db2.gz WXEZCONKGNIMQY-UHFFFAOYSA-N -1 3 354.406 4.092 20 0 FIADHM O=C(Cc1ccccc1OC(F)F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134172803 1123599726 /nfs/dbraw/zinc/59/97/26/1123599726.db2.gz FOBNCWGDRRVXPX-UHFFFAOYSA-N -1 3 361.266 4.194 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1C ZINC000134675993 1123660552 /nfs/dbraw/zinc/66/05/52/1123660552.db2.gz QGELQKMHLKZYNR-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM C[C@H](SCc1ccon1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000077411496 1123676400 /nfs/dbraw/zinc/67/64/00/1123676400.db2.gz FFGJMJCAGYFOGD-VIFPVBQESA-N -1 3 359.432 4.227 20 0 FIADHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000609767371 1123825408 /nfs/dbraw/zinc/82/54/08/1123825408.db2.gz AQCAQUNCXALZLB-QWRGUYRKSA-N -1 3 368.351 4.254 20 0 FIADHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000609767372 1123825721 /nfs/dbraw/zinc/82/57/21/1123825721.db2.gz AQCAQUNCXALZLB-WDEREUQCSA-N -1 3 368.351 4.254 20 0 FIADHM O=Cc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)[nH]1 ZINC000179937079 1124147873 /nfs/dbraw/zinc/14/78/73/1124147873.db2.gz DDSBLDCANIALIN-UHFFFAOYSA-N -1 3 363.398 4.062 20 0 FIADHM COc1ccc2cc(C(=O)[N-]c3c(C)onc3OC(F)F)sc2c1 ZINC001128101692 1124149584 /nfs/dbraw/zinc/14/95/84/1124149584.db2.gz YVENNVIPVDVKNX-UHFFFAOYSA-N -1 3 354.334 4.060 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180323488 1124293249 /nfs/dbraw/zinc/29/32/49/1124293249.db2.gz KUQQEJFRKJRASE-UHFFFAOYSA-N -1 3 366.811 4.081 20 0 FIADHM Cc1onc(C2CC2)c1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000518308064 1124298501 /nfs/dbraw/zinc/29/85/01/1124298501.db2.gz BSVOGUJYWJFVCZ-UHFFFAOYSA-N -1 3 360.826 4.285 20 0 FIADHM C[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccc(-c2ccncc2)cc1 ZINC001168656601 1124528949 /nfs/dbraw/zinc/52/89/49/1124528949.db2.gz FVPVGANUZMORCI-OAHLLOKOSA-N -1 3 372.428 4.355 20 0 FIADHM CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1ncc(F)cc1F ZINC000617450087 1124548359 /nfs/dbraw/zinc/54/83/59/1124548359.db2.gz AMGQWOXOQCOGLA-UHFFFAOYSA-N -1 3 368.405 4.049 20 0 FIADHM Cc1ccc(-c2cc(C(=O)[N-]c3ncc(C(F)(F)F)s3)on2)cc1 ZINC000475844988 1124719260 /nfs/dbraw/zinc/71/92/60/1124719260.db2.gz BIXIBQCDKYQHPE-UHFFFAOYSA-N -1 3 353.325 4.378 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000263577539 1124763677 /nfs/dbraw/zinc/76/36/77/1124763677.db2.gz ROOSEPGGFBWVJW-UHFFFAOYSA-N -1 3 357.837 4.133 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000007109354 1124871869 /nfs/dbraw/zinc/87/18/69/1124871869.db2.gz SXIYKSFEZKUBMS-UHFFFAOYSA-N -1 3 363.479 4.192 20 0 FIADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2sccc2COC)cc1 ZINC000181421214 1124913433 /nfs/dbraw/zinc/91/34/33/1124913433.db2.gz WOEJXSOAPZALQU-SUMWQHHRSA-N -1 3 370.474 4.369 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)n1 ZINC000064343205 1124990635 /nfs/dbraw/zinc/99/06/35/1124990635.db2.gz XZOIZONYQMORMT-UHFFFAOYSA-N -1 3 369.424 4.080 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1Cl ZINC000182019508 1125211422 /nfs/dbraw/zinc/21/14/22/1125211422.db2.gz MXXZMAYHZLTFHW-UHFFFAOYSA-N -1 3 361.206 4.011 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)[n-]1 ZINC000618919856 1125321423 /nfs/dbraw/zinc/32/14/23/1125321423.db2.gz VLSRQIXDUSVJDU-UHFFFAOYSA-N -1 3 367.405 4.222 20 0 FIADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911467 221144696 /nfs/dbraw/zinc/14/46/96/221144696.db2.gz YWPQYIWOWCGIPV-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c([O-])c1 ZINC000105865939 222377922 /nfs/dbraw/zinc/37/79/22/222377922.db2.gz MOLRMTIVNOAJGA-UHFFFAOYSA-N -1 3 353.397 4.401 20 0 FIADHM COCCC1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCCC1 ZINC000186442882 567921757 /nfs/dbraw/zinc/92/17/57/567921757.db2.gz CSTOLRCTIXKAFL-UHFFFAOYSA-N -1 3 367.902 4.118 20 0 FIADHM CC(C)c1csc(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)n1 ZINC000186575912 567952664 /nfs/dbraw/zinc/95/26/64/567952664.db2.gz UDAPWPRTKWZNQO-UHFFFAOYSA-N -1 3 366.899 4.302 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(F)cc1Cl ZINC000151997815 567970704 /nfs/dbraw/zinc/97/07/04/567970704.db2.gz PPSSPFAAKNOZIC-UHFFFAOYSA-N -1 3 373.609 4.269 20 0 FIADHM COc1ccc(C)cc1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187007716 568043283 /nfs/dbraw/zinc/04/32/83/568043283.db2.gz ULRLATRQPVAQEQ-UHFFFAOYSA-N -1 3 361.397 4.193 20 0 FIADHM COC(=O)c1cc([N-]C(=O)c2oc3c(cccc3F)c2C)c(F)cc1F ZINC000603232672 568075585 /nfs/dbraw/zinc/07/55/85/568075585.db2.gz KQYSPHUUWGLQDA-UHFFFAOYSA-N -1 3 363.291 4.197 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3cc(F)c(Cl)cc3Cl)n[nH]2)cc1 ZINC000603628820 568127638 /nfs/dbraw/zinc/12/76/38/568127638.db2.gz NJKXONMPHGGDPL-UHFFFAOYSA-N -1 3 365.195 4.478 20 0 FIADHM Cc1cc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)on1 ZINC000603631462 568128048 /nfs/dbraw/zinc/12/80/48/568128048.db2.gz KPRDNWYDTPXNIK-UHFFFAOYSA-N -1 3 359.432 4.387 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2cc(C)ccc2SC2CCCC2)[n-]1 ZINC000617877602 568210500 /nfs/dbraw/zinc/21/05/00/568210500.db2.gz STNQBRQFHOQASI-UHFFFAOYSA-N -1 3 373.478 4.182 20 0 FIADHM CCOC(=O)c1nc(NC(=O)c2cc(C)ccc2SC2CCCC2)c[n-]1 ZINC000617877602 568210501 /nfs/dbraw/zinc/21/05/01/568210501.db2.gz STNQBRQFHOQASI-UHFFFAOYSA-N -1 3 373.478 4.182 20 0 FIADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC000604110446 568214659 /nfs/dbraw/zinc/21/46/59/568214659.db2.gz PXLXJTRIZBHGAV-UHFFFAOYSA-N -1 3 374.393 4.198 20 0 FIADHM CCOCCO[C@@H](C)C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000604266572 568241336 /nfs/dbraw/zinc/24/13/36/568241336.db2.gz MDFMTTROKXKIRY-AWEZNQCLSA-N -1 3 360.454 4.019 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ncoc3-c3ccccc3)[nH][n-]2)c1 ZINC000604901149 568384660 /nfs/dbraw/zinc/38/46/60/568384660.db2.gz HXVMEQUUFUDCIY-UHFFFAOYSA-N -1 3 358.401 4.023 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)CN(C)c2nc3ccccc3s2)c1[O-] ZINC000604901676 568384850 /nfs/dbraw/zinc/38/48/50/568384850.db2.gz UXJCCESUQAGUIP-UHFFFAOYSA-N -1 3 361.854 4.039 20 0 FIADHM COc1ccc(Cl)cc1NCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000604902015 568385049 /nfs/dbraw/zinc/38/50/49/568385049.db2.gz ULCLZXOBPYZQKN-UHFFFAOYSA-N -1 3 355.221 4.067 20 0 FIADHM CC[C@H](C)c1ccc(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000604932527 568395103 /nfs/dbraw/zinc/39/51/03/568395103.db2.gz PQZPQBLKNKGUFC-ZDUSSCGKSA-N -1 3 367.478 4.111 20 0 FIADHM Cc1cc(C)c(C(=O)[C@@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1C ZINC000604933116 568395407 /nfs/dbraw/zinc/39/54/07/568395407.db2.gz ALTNELMJXRWDMQ-CQSZACIVSA-N -1 3 352.463 4.155 20 0 FIADHM CC1(C)CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CCCO1 ZINC000604999448 568512622 /nfs/dbraw/zinc/51/26/22/568512622.db2.gz PIFUXGFAKKYUNH-UHFFFAOYSA-N -1 3 369.490 4.065 20 0 FIADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCCC[C@H]1c1cccnc1 ZINC001165046855 721963362 /nfs/dbraw/zinc/96/33/62/721963362.db2.gz PJXJRQPEKRZNEM-NSHDSACASA-N -1 3 356.829 4.090 20 0 FIADHM COc1ccc(N[C@H]2CC[C@@H](C)c3ccccc32)cc1[N-]S(C)(=O)=O ZINC000182731122 1125608020 /nfs/dbraw/zinc/60/80/20/1125608020.db2.gz PZLAHJJZPAXMPM-DYVFJYSZSA-N -1 3 360.479 4.117 20 0 FIADHM CCCN(C[C@H]1CCCCO1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000579720354 1079575775 /nfs/dbraw/zinc/57/57/75/1079575775.db2.gz OAJNBNOZQPPBJW-CJNGLKHVSA-N -1 3 360.281 4.400 20 0 FIADHM COc1ccc2[nH]c(=N[N-]C(=O)c3c(F)cccc3Cl)c(C)cc2c1 ZINC000183191046 1125772963 /nfs/dbraw/zinc/77/29/63/1125772963.db2.gz SRKTUHLKYWUWOR-UHFFFAOYSA-N -1 3 359.788 4.101 20 0 FIADHM Cc1nc2ccc(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)cc2s1 ZINC000683159175 1079747772 /nfs/dbraw/zinc/74/77/72/1079747772.db2.gz YIJVNPRLSGGXIM-UHFFFAOYSA-N -1 3 366.486 4.405 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000683170331 1079794379 /nfs/dbraw/zinc/79/43/79/1079794379.db2.gz KZVJWGRBUHZOTQ-BBRMVZONSA-N -1 3 363.479 4.240 20 0 FIADHM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1cccc(Br)c1 ZINC000683173974 1079810788 /nfs/dbraw/zinc/81/07/88/1079810788.db2.gz MXAYKKRGRISBQV-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000029388531 1079879098 /nfs/dbraw/zinc/87/90/98/1079879098.db2.gz WUYVVLPPGZHHMX-UHFFFAOYSA-N -1 3 372.759 4.458 20 0 FIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000029388531 1079879112 /nfs/dbraw/zinc/87/91/12/1079879112.db2.gz WUYVVLPPGZHHMX-UHFFFAOYSA-N -1 3 372.759 4.458 20 0 FIADHM Cc1nnc([N-]C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)s1 ZINC000180518457 1080508621 /nfs/dbraw/zinc/50/86/21/1080508621.db2.gz DHMCBUIJTGFIPT-UHFFFAOYSA-N -1 3 369.233 4.369 20 0 FIADHM CC(C)c1ccc(-c2noc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)n2)cc1 ZINC000652500342 1080835664 /nfs/dbraw/zinc/83/56/64/1080835664.db2.gz MRVOHPKFGYERED-QGZVFWFLSA-N -1 3 371.481 4.183 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3[C@@H](C)[C@@H]3c3ccccc3)c2)n1 ZINC000430399982 1080892525 /nfs/dbraw/zinc/89/25/25/1080892525.db2.gz MNNPUWQQQSFZBJ-LVXYXVKQSA-N -1 3 373.456 4.400 20 0 FIADHM CC[C@H](c1nnc([N-]C(=O)c2nc(C)c(C)s2)s1)c1ccccc1 ZINC000683546878 1081068086 /nfs/dbraw/zinc/06/80/86/1081068086.db2.gz AHQONITVHOXOQE-ZDUSSCGKSA-N -1 3 358.492 4.406 20 0 FIADHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(Br)cc1[O-] ZINC000261470501 1081144029 /nfs/dbraw/zinc/14/40/29/1081144029.db2.gz VRNYJXMHAFEVTH-NSHDSACASA-N -1 3 362.223 4.050 20 0 FIADHM CCOc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000683825128 1081716490 /nfs/dbraw/zinc/71/64/90/1081716490.db2.gz SYPBYKUVQFTKFW-UHFFFAOYSA-N -1 3 357.425 4.025 20 0 FIADHM COC(=O)c1cc(Nc2cccc([O-])c2Cl)ccc1Br ZINC001210855492 1081784947 /nfs/dbraw/zinc/78/49/47/1081784947.db2.gz RAEJENJWNXQDKU-UHFFFAOYSA-N -1 3 356.603 4.338 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)c1 ZINC000548079817 1081854184 /nfs/dbraw/zinc/85/41/84/1081854184.db2.gz NFEHOCQJUQDDJH-UHFFFAOYSA-N -1 3 374.393 4.349 20 0 FIADHM CCOC(=O)C1CCN(Cc2cccc(Nc3cccc([S-])c3)c2)CC1 ZINC001210950181 1081880799 /nfs/dbraw/zinc/88/07/99/1081880799.db2.gz NQQXHMQYWKKSGV-UHFFFAOYSA-N -1 3 370.518 4.494 20 0 FIADHM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(C(C)C)cc2[O-])c(C)c1 ZINC000048379469 1082475786 /nfs/dbraw/zinc/47/57/86/1082475786.db2.gz JHNZTQNKXVAGOQ-UHFFFAOYSA-N -1 3 368.477 4.152 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000048398459 1082506792 /nfs/dbraw/zinc/50/67/92/1082506792.db2.gz XEFUGFVLKPCSEA-UHFFFAOYSA-N -1 3 366.461 4.007 20 0 FIADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1csc(-c2cccs2)n1 ZINC000656568627 1082589193 /nfs/dbraw/zinc/58/91/93/1082589193.db2.gz JLKDNWRZJLQWGC-RISCZKNCSA-N -1 3 350.509 4.241 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2ccccc2OCC(F)(F)F)[C@H]2CCCC[C@@H]12 ZINC000656763961 1082755672 /nfs/dbraw/zinc/75/56/72/1082755672.db2.gz DHZOSNMGEICTJT-XHSDSOJGSA-N -1 3 371.399 4.093 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc(Br)c2)[C@H]2CCCC[C@@H]12 ZINC000656763719 1082757040 /nfs/dbraw/zinc/75/70/40/1082757040.db2.gz COHYFSSYCXSVKO-XHSDSOJGSA-N -1 3 370.262 4.054 20 0 FIADHM Cc1csc(C2(NCc3nc4c5ccccc5oc4c(=O)[n-]3)CCC2)n1 ZINC000548298184 1082978100 /nfs/dbraw/zinc/97/81/00/1082978100.db2.gz AONNMJRDZRPIMG-UHFFFAOYSA-N -1 3 366.446 4.016 20 0 FIADHM CN(c1ccccc1)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC000581900419 1082995988 /nfs/dbraw/zinc/99/59/88/1082995988.db2.gz XKUNKMHTSXACSC-UHFFFAOYSA-N -1 3 353.809 4.461 20 0 FIADHM CCN(Cc1ccncc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000581900002 1082995995 /nfs/dbraw/zinc/99/59/95/1082995995.db2.gz BWHJAZNSUCIJQL-UHFFFAOYSA-N -1 3 366.446 4.074 20 0 FIADHM CCc1cccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c1[O-] ZINC000548378493 1083128675 /nfs/dbraw/zinc/12/86/75/1083128675.db2.gz UBFXTQOYQMREFH-SCLBCKFNSA-N -1 3 359.853 4.210 20 0 FIADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)c(Cl)c1 ZINC000471871069 1083206979 /nfs/dbraw/zinc/20/69/79/1083206979.db2.gz LCBZQHXJVIEIST-QMMMGPOBSA-N -1 3 351.193 4.114 20 0 FIADHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1sccc1Cl ZINC000510686482 1083238411 /nfs/dbraw/zinc/23/84/11/1083238411.db2.gz WSEWMYKNSTVNAS-UHFFFAOYSA-N -1 3 353.831 4.235 20 0 FIADHM O=c1nc(CN2CCC3(CCCC3)CC2)[n-]c2scc(-c3ccco3)c21 ZINC000158388992 1083320323 /nfs/dbraw/zinc/32/03/23/1083320323.db2.gz JGSTWCYFLACATK-UHFFFAOYSA-N -1 3 369.490 4.401 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1OCCC ZINC000016095993 1083353841 /nfs/dbraw/zinc/35/38/41/1083353841.db2.gz PRIHDXXQFXPXKS-UHFFFAOYSA-N -1 3 367.442 4.204 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000092283644 1083371496 /nfs/dbraw/zinc/37/14/96/1083371496.db2.gz QETMDLSRLUJKDK-AWEZNQCLSA-N -1 3 374.309 4.163 20 0 FIADHM Cc1cc([C@H](NCc2ccc(OC(F)F)c(F)c2)C(=O)[O-])ccc1Cl ZINC000426777087 1083450624 /nfs/dbraw/zinc/45/06/24/1083450624.db2.gz KLDLEUYHGZIIHN-HNNXBMFYSA-N -1 3 373.758 4.304 20 0 FIADHM CCOc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)ccc1OC(F)F ZINC000277085050 1083736869 /nfs/dbraw/zinc/73/68/69/1083736869.db2.gz XAMFHGGHVDRBNE-ZDUSSCGKSA-N -1 3 371.405 4.054 20 0 FIADHM O=S(=O)([N-]C1CCC2(CC2(F)F)CC1)c1c(Cl)cccc1Cl ZINC000657197628 1083953080 /nfs/dbraw/zinc/95/30/80/1083953080.db2.gz NKWVPSCZUOIGFS-UHFFFAOYSA-N -1 3 370.248 4.240 20 0 FIADHM O=C(NCCc1cccc(-c2ccccc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000472457118 1083978249 /nfs/dbraw/zinc/97/82/49/1083978249.db2.gz UBAUGQCMNZAFFS-UHFFFAOYSA-N -1 3 368.436 4.168 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCC[C@@H](C)CC(=O)[O-] ZINC000277226957 1084040332 /nfs/dbraw/zinc/04/03/32/1084040332.db2.gz IGFLSGPUAJYFKL-LLVKDONJSA-N -1 3 370.280 4.078 20 0 FIADHM CC(=O)Nc1cc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)c(F)cc1F ZINC000066286326 1084264049 /nfs/dbraw/zinc/26/40/49/1084264049.db2.gz YNYNCDRYRULDIO-UHFFFAOYSA-N -1 3 371.343 4.139 20 0 FIADHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000472109481 1084357748 /nfs/dbraw/zinc/35/77/48/1084357748.db2.gz ZWVCITWVXKVROZ-AWEZNQCLSA-N -1 3 365.408 4.154 20 0 FIADHM Cc1ccccc1C[C@@H](CNCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000277416886 1084460149 /nfs/dbraw/zinc/46/01/49/1084460149.db2.gz STSSYWWZBHHSDX-HNNXBMFYSA-N -1 3 372.515 4.213 20 0 FIADHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001211639018 1084488812 /nfs/dbraw/zinc/48/88/12/1084488812.db2.gz SWABZAXTKOINMI-WCQYABFASA-N -1 3 370.927 4.178 20 0 FIADHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431339893 1084524177 /nfs/dbraw/zinc/52/41/77/1084524177.db2.gz ZTMTXBRTTHUYBD-UHFFFAOYSA-N -1 3 360.841 4.216 20 0 FIADHM [O-]c1cccc(CN2CCc3c(Cl)cccc3C2)c1Br ZINC001140549992 1084578357 /nfs/dbraw/zinc/57/83/57/1084578357.db2.gz AJQGMZGMOARKQL-UHFFFAOYSA-N -1 3 352.659 4.366 20 0 FIADHM COc1nnc(NC(=O)c2cc(C)ccc2Sc2ccc(Cl)cc2)[n-]1 ZINC001137567377 1084610474 /nfs/dbraw/zinc/61/04/74/1084610474.db2.gz AOGBGMANOXIKBY-UHFFFAOYSA-N -1 3 374.853 4.179 20 0 FIADHM COc1nc(NC(=O)c2cc(C)ccc2Sc2ccc(Cl)cc2)n[n-]1 ZINC001137567377 1084610482 /nfs/dbraw/zinc/61/04/82/1084610482.db2.gz AOGBGMANOXIKBY-UHFFFAOYSA-N -1 3 374.853 4.179 20 0 FIADHM COc1n[n-]c(NC(=O)c2cc(C)ccc2Sc2ccc(Cl)cc2)n1 ZINC001137567377 1084610489 /nfs/dbraw/zinc/61/04/89/1084610489.db2.gz AOGBGMANOXIKBY-UHFFFAOYSA-N -1 3 374.853 4.179 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2sc(Cl)cc2C1 ZINC000582183454 1084749010 /nfs/dbraw/zinc/74/90/10/1084749010.db2.gz NSGGHGWMYVBJLQ-UHFFFAOYSA-N -1 3 353.846 4.154 20 0 FIADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000563283019 1084766295 /nfs/dbraw/zinc/76/62/95/1084766295.db2.gz LYZLGQVQJDKCBU-UWVGGRQHSA-N -1 3 374.384 4.394 20 0 FIADHM CCc1ncsc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000124828654 1084768595 /nfs/dbraw/zinc/76/85/95/1084768595.db2.gz FXFJFMOHQMXAMC-UHFFFAOYSA-N -1 3 350.856 4.130 20 0 FIADHM Cc1cc(=O)[n-]c(CN2CCC(Cc3cc(Cl)ccc3Cl)CC2)n1 ZINC001167562530 1084851488 /nfs/dbraw/zinc/85/14/88/1084851488.db2.gz MKTVHKBXHYNFDR-UHFFFAOYSA-N -1 3 366.292 4.252 20 0 FIADHM O=C([N-]c1c(F)cccc1Br)c1cc(-c2ccccc2)no1 ZINC000175529199 1084954564 /nfs/dbraw/zinc/95/45/64/1084954564.db2.gz ARXQSJQZJLAWBW-UHFFFAOYSA-N -1 3 361.170 4.496 20 0 FIADHM O=C([N-]c1nc(-c2ccccn2)cs1)c1c(F)c(F)cc(F)c1F ZINC000511853280 1085141853 /nfs/dbraw/zinc/14/18/53/1085141853.db2.gz BJGAVKIXODPMTO-UHFFFAOYSA-N -1 3 353.300 4.014 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccccc2OCc2ccccc2)n1 ZINC000660749537 1085251812 /nfs/dbraw/zinc/25/18/12/1085251812.db2.gz JUXGYNPYIZRPKF-UHFFFAOYSA-N -1 3 363.461 4.095 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](c3ccccc3)C3CC3)nc2)n1 ZINC000431474881 1085419698 /nfs/dbraw/zinc/41/96/98/1085419698.db2.gz DZFULKJWMVKRNR-IBGZPJMESA-N -1 3 360.461 4.412 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](c3ccccc3)C3CC3)nc2)n1 ZINC000431474882 1085419942 /nfs/dbraw/zinc/41/99/42/1085419942.db2.gz DZFULKJWMVKRNR-LJQANCHMSA-N -1 3 360.461 4.412 20 0 FIADHM CCCCC[C@@H]1CCCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001167603267 1085438562 /nfs/dbraw/zinc/43/85/62/1085438562.db2.gz OOQWKJTUAUELMF-CQSZACIVSA-N -1 3 362.420 4.381 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCc3cccs3)c2)n1 ZINC000049301858 1085442527 /nfs/dbraw/zinc/44/25/27/1085442527.db2.gz WFHIWFVKFWJFLI-UHFFFAOYSA-N -1 3 367.474 4.022 20 0 FIADHM CC(C)(NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000075638566 1085533950 /nfs/dbraw/zinc/53/39/50/1085533950.db2.gz NLOCQSFZMNFNQE-UHFFFAOYSA-N -1 3 367.836 4.348 20 0 FIADHM Cc1ccc(-c2nc(CN3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cs2)cc1 ZINC000327083226 1085651631 /nfs/dbraw/zinc/65/16/31/1085651631.db2.gz TXYLTDPHZSVETI-MRXNPFEDSA-N -1 3 358.507 4.441 20 0 FIADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000652198242 1085751443 /nfs/dbraw/zinc/75/14/43/1085751443.db2.gz ROVBGNOGIHNHNS-PXNSSMCTSA-N -1 3 354.454 4.104 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c2ccccc12 ZINC000511214570 1085911484 /nfs/dbraw/zinc/91/14/84/1085911484.db2.gz FXBJKAFVKWMJTR-UHFFFAOYSA-N -1 3 363.385 4.318 20 0 FIADHM O=C(NCc1ccnc(OC2CCCCC2)c1)c1cc([O-])ccc1Cl ZINC000582918352 1085919473 /nfs/dbraw/zinc/91/94/73/1085919473.db2.gz XAMCDTBCDIOXOB-UHFFFAOYSA-N -1 3 360.841 4.082 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@@H](C)Oc4ccccc43)nc2)n1 ZINC000583005536 1086018950 /nfs/dbraw/zinc/01/89/50/1086018950.db2.gz ODHFOECGNQCYMI-CXAGYDPISA-N -1 3 362.433 4.131 20 0 FIADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC[C@H]1c1ccsc1 ZINC000583089557 1086174231 /nfs/dbraw/zinc/17/42/31/1086174231.db2.gz IKKLQNCOANQOGE-HNNXBMFYSA-N -1 3 354.431 4.438 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1OCC ZINC000008053391 1086338710 /nfs/dbraw/zinc/33/87/10/1086338710.db2.gz BRFVFHJUAKXKGZ-UHFFFAOYSA-N -1 3 373.833 4.077 20 0 FIADHM CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000663260482 1086339290 /nfs/dbraw/zinc/33/92/90/1086339290.db2.gz AFUIZBWQJJPDQB-MRXNPFEDSA-N -1 3 353.340 4.020 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(Oc4ccccc4)nc3)no2)c1[O-] ZINC000184851817 1086363916 /nfs/dbraw/zinc/36/39/16/1086363916.db2.gz FTCKKLBKANPZHF-UHFFFAOYSA-N -1 3 361.357 4.305 20 0 FIADHM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000155138234 1086482645 /nfs/dbraw/zinc/48/26/45/1086482645.db2.gz ADOTWTAPGMHWKG-UHFFFAOYSA-N -1 3 367.887 4.029 20 0 FIADHM C/C=C(/CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000588571946 1086491790 /nfs/dbraw/zinc/49/17/90/1086491790.db2.gz XWKBHYMMLIJDIJ-BNCCVWRVSA-N -1 3 372.490 4.399 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cc(Cl)c(Cl)c(Cl)c1 ZINC000583266260 1086495132 /nfs/dbraw/zinc/49/51/32/1086495132.db2.gz FFVUIARHLOIZDZ-SSDOTTSWSA-N -1 3 361.534 4.024 20 0 FIADHM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000147078243 1086526242 /nfs/dbraw/zinc/52/62/42/1086526242.db2.gz MJDDEDHUDXTGMB-CQSZACIVSA-N -1 3 355.463 4.019 20 0 FIADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000150941290 1086621197 /nfs/dbraw/zinc/62/11/97/1086621197.db2.gz WHRYYRJRDRDFAY-QGZVFWFLSA-N -1 3 352.356 4.006 20 0 FIADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1I ZINC001213384382 1086677428 /nfs/dbraw/zinc/67/74/28/1086677428.db2.gz JQFPXEAPAUVSHW-UHFFFAOYSA-N -1 3 361.129 4.327 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c(F)c1 ZINC000028196904 1086718621 /nfs/dbraw/zinc/71/86/21/1086718621.db2.gz RURPYHYWQBGFME-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1nc(C(C)C)sc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000583540512 1086780521 /nfs/dbraw/zinc/78/05/21/1086780521.db2.gz CSUPFFNMKMRDCK-UHFFFAOYSA-N -1 3 367.434 4.359 20 0 FIADHM O=C([O-])[C@H]1Cc2ccccc2CN1CCc1cc(Cl)cc(Cl)c1 ZINC000583570393 1086807584 /nfs/dbraw/zinc/80/75/84/1086807584.db2.gz PEVBGZQMCWVLIF-QGZVFWFLSA-N -1 3 350.245 4.047 20 0 FIADHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCOc1ccc(C(F)(F)F)cc1 ZINC000583570580 1086808450 /nfs/dbraw/zinc/80/84/50/1086808450.db2.gz YGYWEZDJWDIKCI-NSHDSACASA-N -1 3 357.328 4.068 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCCC34CCCCC4)cc2)cc(=O)[n-]1 ZINC000536163569 1087040910 /nfs/dbraw/zinc/04/09/10/1087040910.db2.gz SQGBJKOIQRRLKN-UHFFFAOYSA-N -1 3 366.465 4.488 20 0 FIADHM C[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1F ZINC000151541420 1087137038 /nfs/dbraw/zinc/13/70/38/1087137038.db2.gz UPUHGGZMPUDCIZ-NSHDSACASA-N -1 3 366.230 4.104 20 0 FIADHM CCc1ccc(NC(=O)c2c[n-]c3cc(F)c(OC)cc3c2=O)cc1Cl ZINC000584104674 1087175137 /nfs/dbraw/zinc/17/51/37/1087175137.db2.gz ZNPNWLZZOFTEBO-UHFFFAOYSA-N -1 3 374.799 4.144 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1C(F)(F)F ZINC000151633749 1087184918 /nfs/dbraw/zinc/18/49/18/1087184918.db2.gz RQBNIRMKQHNRHF-UHFFFAOYSA-N -1 3 374.156 4.104 20 0 FIADHM CSc1ccccc1[N-]C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000151766056 1087244504 /nfs/dbraw/zinc/24/45/04/1087244504.db2.gz PJQBWNKYGCWWBU-UHFFFAOYSA-N -1 3 368.414 4.087 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000584352779 1087275087 /nfs/dbraw/zinc/27/50/87/1087275087.db2.gz AFBPDHNZHVGFEL-OXJNMPFZSA-N -1 3 367.445 4.216 20 0 FIADHM Cc1nsc([N-]C(=O)c2sc(C(C)(C)c3ccccc3)nc2C)n1 ZINC000091983142 1087436339 /nfs/dbraw/zinc/43/63/39/1087436339.db2.gz KNZCCMXGAXAZLI-UHFFFAOYSA-N -1 3 358.492 4.190 20 0 FIADHM C[C@H](c1cccnc1)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094067957 1087462884 /nfs/dbraw/zinc/46/28/84/1087462884.db2.gz RYETVVYFNXXLHU-QGZVFWFLSA-N -1 3 360.457 4.406 20 0 FIADHM COC1CCC(N(C)C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000094151244 1087465318 /nfs/dbraw/zinc/46/53/18/1087465318.db2.gz AUTJJMGKNKTUHV-UHFFFAOYSA-N -1 3 367.489 4.207 20 0 FIADHM O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc([O-])ccc1Cl ZINC000685631367 1087648326 /nfs/dbraw/zinc/64/83/26/1087648326.db2.gz DRZMILQIANCLKQ-UHFFFAOYSA-N -1 3 364.792 4.008 20 0 FIADHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1nccc2cccnc21 ZINC001125780544 1087693282 /nfs/dbraw/zinc/69/32/82/1087693282.db2.gz USVHLWNGRQTNQE-UHFFFAOYSA-N -1 3 367.821 4.054 20 0 FIADHM CCOc1ccc(-c2nc(CN3CCCC[C@H]3CCC(=O)[O-])cs2)cc1 ZINC000424261002 1087882922 /nfs/dbraw/zinc/88/29/22/1087882922.db2.gz ONTHXEGDZAFZFV-KRWDZBQOSA-N -1 3 374.506 4.428 20 0 FIADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc2c(c1)CCCC2=O ZINC000504896727 1087969262 /nfs/dbraw/zinc/96/92/62/1087969262.db2.gz ZORDALBMICJBAL-UHFFFAOYSA-N -1 3 365.307 4.062 20 0 FIADHM O=C(CCC(=O)c1cc(Cl)sc1Cl)[N-]OCCC(F)(F)F ZINC000162940436 1088023582 /nfs/dbraw/zinc/02/35/82/1088023582.db2.gz UXXGEAFENBDGPL-UHFFFAOYSA-N -1 3 364.172 4.018 20 0 FIADHM Cc1sc2[n-]c(COC[C@@H]3CCOC3)nc(=O)c2c1-c1ccc(F)cc1 ZINC000647602568 1088247564 /nfs/dbraw/zinc/24/75/64/1088247564.db2.gz MFUPYLGVGRUWPH-GFCCVEGCSA-N -1 3 374.437 4.065 20 0 FIADHM CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000664404593 1088313278 /nfs/dbraw/zinc/31/32/78/1088313278.db2.gz DMQKKVXOQWYYRX-UKRRQHHQSA-N -1 3 354.454 4.200 20 0 FIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000648274761 1088390835 /nfs/dbraw/zinc/39/08/35/1088390835.db2.gz RQFJIKAGXQVLFV-UHFFFAOYSA-N -1 3 350.875 4.409 20 0 FIADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N(CC1CCC1)CC(F)(F)F ZINC000623020084 1088519053 /nfs/dbraw/zinc/51/90/53/1088519053.db2.gz XVCYBGNKKNSOAG-UHFFFAOYSA-N -1 3 355.278 4.216 20 0 FIADHM [O-]C(=Cc1nc(-c2ccccc2-n2ccnc2)no1)c1ccccc1Cl ZINC001211646875 1088745266 /nfs/dbraw/zinc/74/52/66/1088745266.db2.gz BMRHFVBMEVYJBE-UHFFFAOYSA-N -1 3 364.792 4.001 20 0 FIADHM COc1c(F)cc(-c2noc(C=C([O-])c3ccccc3Cl)n2)cc1F ZINC001211646941 1088746849 /nfs/dbraw/zinc/74/68/49/1088746849.db2.gz DQMNKEICAZVKBO-UHFFFAOYSA-N -1 3 364.735 4.102 20 0 FIADHM [O-]C(=Cc1nc(-c2cc(F)c(F)c(F)c2F)no1)c1ccccc1Cl ZINC001211646920 1088748196 /nfs/dbraw/zinc/74/81/96/1088748196.db2.gz CNQMNQQLWWAQKZ-UHFFFAOYSA-N -1 3 370.689 4.372 20 0 FIADHM CC1(C2CC2)CCN(Cc2c(Br)cccc2C(=O)[O-])CC1 ZINC000659795730 1088868977 /nfs/dbraw/zinc/86/89/77/1088868977.db2.gz GSRXOIPVZWQAMO-UHFFFAOYSA-N -1 3 352.272 4.159 20 0 FIADHM O=C([O-])[C@]12CN(Cc3cc(Cl)ccc3OC(F)F)C[C@H]1CCCC2 ZINC000659798756 1088880180 /nfs/dbraw/zinc/88/01/80/1088880180.db2.gz PSWJRVNLYKZIFX-SJKOYZFVSA-N -1 3 359.800 4.018 20 0 FIADHM C[C@@H](c1nc2ccccc2n1C(F)F)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659800273 1088884131 /nfs/dbraw/zinc/88/41/31/1088884131.db2.gz WZSFCBVEUNWGGO-JMERFSKESA-N -1 3 363.408 4.069 20 0 FIADHM Cc1ccc([O-])c(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)n1 ZINC000430101278 1088991128 /nfs/dbraw/zinc/99/11/28/1088991128.db2.gz WROFFNYESXFHCB-FZKQIMNGSA-N -1 3 366.383 4.076 20 0 FIADHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431844970 1089500527 /nfs/dbraw/zinc/50/05/27/1089500527.db2.gz NGQYTUJILSGHDT-DNVCBOLYSA-N -1 3 359.853 4.252 20 0 FIADHM CCCOc1cc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)ccc1OC ZINC000435336888 1089543776 /nfs/dbraw/zinc/54/37/76/1089543776.db2.gz RONGOAFLCAAGBP-FOWTUZBSSA-N -1 3 356.466 4.470 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 ZINC000514969100 1089694143 /nfs/dbraw/zinc/69/41/43/1089694143.db2.gz VYNQGHULUZOWQJ-UHFFFAOYSA-N -1 3 358.394 4.224 20 0 FIADHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2cc(-c3ccccc3)no2)c1 ZINC000515076816 1089756526 /nfs/dbraw/zinc/75/65/26/1089756526.db2.gz LPAJLFRFEBOGDB-UHFFFAOYSA-N -1 3 356.765 4.034 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccccc1Br ZINC000515078573 1089757365 /nfs/dbraw/zinc/75/73/65/1089757365.db2.gz OINDAZOEAIZOPZ-UHFFFAOYSA-N -1 3 371.028 4.170 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1csc(-c2ccncc2)n1 ZINC000549321694 1089758726 /nfs/dbraw/zinc/75/87/26/1089758726.db2.gz JGOTZTRVIGQPBE-UHFFFAOYSA-N -1 3 357.410 4.011 20 0 FIADHM Cc1nc(-c2ccccc2)c(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)s1 ZINC000435675285 1089858416 /nfs/dbraw/zinc/85/84/16/1089858416.db2.gz UZCKPVAJVIWULM-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000435734558 1089915146 /nfs/dbraw/zinc/91/51/46/1089915146.db2.gz ZTQFLYHLVHWXIA-UAPYVXQJSA-N -1 3 374.444 4.225 20 0 FIADHM Cn1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c2cc(F)ccc21 ZINC000435759099 1089932105 /nfs/dbraw/zinc/93/21/05/1089932105.db2.gz IWYJFPGVPLKYDW-UHFFFAOYSA-N -1 3 352.287 4.294 20 0 FIADHM COc1cccc(C(=O)c2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2)c1 ZINC000435816115 1089948056 /nfs/dbraw/zinc/94/80/56/1089948056.db2.gz BSVYBLKEXNUSIF-UHFFFAOYSA-N -1 3 361.397 4.193 20 0 FIADHM CCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCC(C(=O)[O-])CC1 ZINC000515312708 1089963567 /nfs/dbraw/zinc/96/35/67/1089963567.db2.gz WGWOHPILDBBFKF-UHFFFAOYSA-N -1 3 362.857 4.460 20 0 FIADHM COc1cccc(SC)c1[N-]C(=O)c1nc(C(C)C)ncc1Cl ZINC000416119012 1090206298 /nfs/dbraw/zinc/20/62/98/1090206298.db2.gz DDUHJYMWJZBWQE-UHFFFAOYSA-N -1 3 351.859 4.236 20 0 FIADHM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1cc([O-])c2ccccc2c1 ZINC000519789126 1090248444 /nfs/dbraw/zinc/24/84/44/1090248444.db2.gz HFKDFYCCRNEOHG-SFHVURJKSA-N -1 3 355.821 4.052 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1C ZINC000609459784 1090252341 /nfs/dbraw/zinc/25/23/41/1090252341.db2.gz FGRUUFJJAXRSRS-UHFFFAOYSA-N -1 3 351.493 4.058 20 0 FIADHM CC(C)c1ccc(C2(C(=O)N3CCCc4c(=O)[n-]cnc43)CCCC2)cc1 ZINC000893216027 1090331071 /nfs/dbraw/zinc/33/10/71/1090331071.db2.gz MAHKQDUSBFEKFT-UHFFFAOYSA-N -1 3 365.477 4.097 20 0 FIADHM COc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000472998351 1090419903 /nfs/dbraw/zinc/41/99/03/1090419903.db2.gz GDBIYAVJIAPJTL-KRWDZBQOSA-N -1 3 360.429 4.127 20 0 FIADHM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC000431912183 1090598033 /nfs/dbraw/zinc/59/80/33/1090598033.db2.gz LUOUMMUSOBGFBX-ZDUSSCGKSA-N -1 3 351.324 4.088 20 0 FIADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000584637919 1090661491 /nfs/dbraw/zinc/66/14/91/1090661491.db2.gz FZXUQNATPYZUJH-SCLBCKFNSA-N -1 3 365.807 4.309 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000511620802 1090843532 /nfs/dbraw/zinc/84/35/32/1090843532.db2.gz UJGCMBNMHHQZQA-UHFFFAOYSA-N -1 3 371.824 4.468 20 0 FIADHM O=C([O-])[C@@H](CCNCc1cc(Cl)sc1Cl)Cc1ccccc1 ZINC000417576062 1090930302 /nfs/dbraw/zinc/93/03/02/1090930302.db2.gz YXLUDDWWJWRBFB-LBPRGKRZSA-N -1 3 358.290 4.478 20 0 FIADHM CCCCOc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000417618505 1090940893 /nfs/dbraw/zinc/94/08/93/1090940893.db2.gz JSNBGGMBWWUNBO-MOPGFXCFSA-N -1 3 369.461 4.277 20 0 FIADHM O=C([O-])CC[C@@H]1CCCC[C@H]1NCc1csc(COc2ccccc2)n1 ZINC000417622711 1090942005 /nfs/dbraw/zinc/94/20/05/1090942005.db2.gz IONVXHOXSQWLRI-MAUKXSAKSA-N -1 3 374.506 4.235 20 0 FIADHM C[C@@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@@H](C)C(=O)[O-] ZINC000417611144 1090942620 /nfs/dbraw/zinc/94/26/20/1090942620.db2.gz NOYJYCKVUCXVRA-RKDXNWHRSA-N -1 3 359.278 4.316 20 0 FIADHM CC[C@@H](CCC(=O)[O-])NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000417615145 1090944309 /nfs/dbraw/zinc/94/43/09/1090944309.db2.gz CEFPHLNKCXNGQC-ZDUSSCGKSA-N -1 3 368.886 4.109 20 0 FIADHM Cc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(OC(F)F)cc1C ZINC000417629445 1090944990 /nfs/dbraw/zinc/94/49/90/1090944990.db2.gz QFGJYWSSYQQCCX-SJORKVTESA-N -1 3 361.388 4.308 20 0 FIADHM COc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1OCC(C)C ZINC000417627357 1090948629 /nfs/dbraw/zinc/94/86/29/1090948629.db2.gz UWZMBNRPCPKRNW-OALUTQOASA-N -1 3 369.461 4.133 20 0 FIADHM CCC[C@H](CCCCNCc1cc(F)ccc1Br)C(=O)[O-] ZINC000417642017 1090952764 /nfs/dbraw/zinc/95/27/64/1090952764.db2.gz SUCUVJYNSNTBCM-GFCCVEGCSA-N -1 3 360.267 4.349 20 0 FIADHM O=C(CCc1cc(Cl)ccc1Br)[N-]OCCC(F)(F)F ZINC000162592732 1091101515 /nfs/dbraw/zinc/10/15/15/1091101515.db2.gz PJEAHUDIYIFKCN-UHFFFAOYSA-N -1 3 374.584 4.035 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(F)(F)F ZINC000500328005 1091295585 /nfs/dbraw/zinc/29/55/85/1091295585.db2.gz KZSYZYOPIYHPHY-UHFFFAOYSA-N -1 3 369.286 4.232 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)c3ccccc3)c2)n1 ZINC000500346691 1091334294 /nfs/dbraw/zinc/33/42/94/1091334294.db2.gz RXONRELTBFVSOQ-UHFFFAOYSA-N -1 3 361.445 4.328 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1 ZINC000511685359 1091539571 /nfs/dbraw/zinc/53/95/71/1091539571.db2.gz CELMNYVCJKRYCM-UHFFFAOYSA-N -1 3 363.479 4.201 20 0 FIADHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000511690088 1091543604 /nfs/dbraw/zinc/54/36/04/1091543604.db2.gz ZBCFULQCYKZWCT-LBPRGKRZSA-N -1 3 369.870 4.327 20 0 FIADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC001125965280 1091728259 /nfs/dbraw/zinc/72/82/59/1091728259.db2.gz ACXKSYRUKUIOOG-HNNXBMFYSA-N -1 3 369.770 4.383 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c(C)c1 ZINC000533952793 1091816656 /nfs/dbraw/zinc/81/66/56/1091816656.db2.gz CUSBLKQGXZTHQL-UHFFFAOYSA-N -1 3 372.446 4.076 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2cc3c(C(F)F)nn(C)c3s2)s1 ZINC000279791490 1092047931 /nfs/dbraw/zinc/04/79/31/1092047931.db2.gz VIXFLQQBVIAFQL-UHFFFAOYSA-N -1 3 371.438 4.019 20 0 FIADHM COC(=O)c1cnc(S[C@H]2CCCc3ccc(Br)cc32)[n-]1 ZINC000432673035 1092052274 /nfs/dbraw/zinc/05/22/74/1092052274.db2.gz UGOUUZXIDKNSNY-ZDUSSCGKSA-N -1 3 367.268 4.129 20 0 FIADHM [O-]c1cccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1Cl ZINC000512364577 1092158528 /nfs/dbraw/zinc/15/85/28/1092158528.db2.gz IRGDENYSRSABTI-GFCCVEGCSA-N -1 3 359.779 4.098 20 0 FIADHM O=c1ccnc(C(=Cc2cn3cc(Cl)ccc3n2)Cc2ccccc2)[n-]1 ZINC000432705567 1092162053 /nfs/dbraw/zinc/16/20/53/1092162053.db2.gz IZIBTLUMVZUMJL-PTNGSMBKSA-N -1 3 362.820 4.267 20 0 FIADHM CN(Cc1cc(Br)cs1)C(=O)c1cc([O-])ccc1Cl ZINC000234285742 1092185915 /nfs/dbraw/zinc/18/59/15/1092185915.db2.gz TYQJAQXFMLLOID-UHFFFAOYSA-N -1 3 360.660 4.142 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)[nH][n-]1 ZINC000500580799 1092250745 /nfs/dbraw/zinc/25/07/45/1092250745.db2.gz VEYSWQVNKNWNSY-GFCCVEGCSA-N -1 3 373.815 4.006 20 0 FIADHM CCO[C@H]1C[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093999 1092290130 /nfs/dbraw/zinc/29/01/30/1092290130.db2.gz HUWPVEAPOSJLKF-CJNGLKHVSA-N -1 3 354.431 4.032 20 0 FIADHM Cc1nc(-c2ccccc2)c(C(=O)[N-]c2nnc(CC(C)C)s2)s1 ZINC000015586518 1092375753 /nfs/dbraw/zinc/37/57/53/1092375753.db2.gz RBHCFKYUIUZVAC-UHFFFAOYSA-N -1 3 358.492 4.421 20 0 FIADHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000432800258 1092403622 /nfs/dbraw/zinc/40/36/22/1092403622.db2.gz LQRYXKVOEFRCTP-LBPRGKRZSA-N -1 3 360.841 4.135 20 0 FIADHM O=C(Nc1ccccc1)C1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000366318147 1092439105 /nfs/dbraw/zinc/43/91/05/1092439105.db2.gz PYXHMGNIHFLJAK-UHFFFAOYSA-N -1 3 374.440 4.036 20 0 FIADHM Cc1cc(C)c(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)c(C)c1 ZINC000647772546 1092498685 /nfs/dbraw/zinc/49/86/85/1092498685.db2.gz ZQJPHKYXCJDJHO-UHFFFAOYSA-N -1 3 357.417 4.197 20 0 FIADHM CCOc1c(Cl)cc(C(=O)Nc2c([O-])cccc2Cl)cc1OC ZINC000521596450 1092787470 /nfs/dbraw/zinc/78/74/70/1092787470.db2.gz FDVHMCOPEWFQAJ-UHFFFAOYSA-N -1 3 356.205 4.359 20 0 FIADHM CCC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1 ZINC000442938562 1092875364 /nfs/dbraw/zinc/87/53/64/1092875364.db2.gz YXIFFYJRQDNBML-UHFFFAOYSA-N -1 3 353.296 4.136 20 0 FIADHM CCCOc1cccnc1C(=O)[N-]c1nc(-c2ccc(C)s2)ns1 ZINC000428731534 1092927067 /nfs/dbraw/zinc/92/70/67/1092927067.db2.gz GNKFOCPFRHXBGP-UHFFFAOYSA-N -1 3 360.464 4.011 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)sc1Cl ZINC001211736788 1092932244 /nfs/dbraw/zinc/93/22/44/1092932244.db2.gz HLHAHUUEGFFLJU-TZMCWYRMSA-N -1 3 373.902 4.464 20 0 FIADHM C[C@@H](SCCC1(O)CC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000443145907 1092966831 /nfs/dbraw/zinc/96/68/31/1092966831.db2.gz ODTFKBNDWGUTSV-SNVBAGLBSA-N -1 3 362.476 4.366 20 0 FIADHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1Br ZINC000152133217 1093044629 /nfs/dbraw/zinc/04/46/29/1093044629.db2.gz AZUVGENLFOKHSU-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000575790399 1093045500 /nfs/dbraw/zinc/04/55/00/1093045500.db2.gz ZTGGKHADTGHLMC-VIFPVBQESA-N -1 3 359.731 4.470 20 0 FIADHM Cc1cnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(Br)c1 ZINC000008696888 1093061744 /nfs/dbraw/zinc/06/17/44/1093061744.db2.gz UIXNYVDAEBFCMR-UHFFFAOYSA-N -1 3 369.284 4.077 20 0 FIADHM C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000443396768 1093101582 /nfs/dbraw/zinc/10/15/82/1093101582.db2.gz FLDBLYNVTQOZML-GFCCVEGCSA-N -1 3 374.362 4.080 20 0 FIADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000443430952 1093125715 /nfs/dbraw/zinc/12/57/15/1093125715.db2.gz UVEGOMKZRBHNFT-UHFFFAOYSA-N -1 3 374.506 4.009 20 0 FIADHM CCOc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1C ZINC000522212234 1093213154 /nfs/dbraw/zinc/21/31/54/1093213154.db2.gz ZUVYJXMTWQGEBG-UHFFFAOYSA-N -1 3 350.212 4.114 20 0 FIADHM C[C@@H]1CN(Cc2cccc(NCc3cccc([O-])c3Cl)c2)C[C@@H](C)O1 ZINC000645166950 1093346309 /nfs/dbraw/zinc/34/63/09/1093346309.db2.gz QTDYJOQQOAZTBL-HUUCEWRRSA-N -1 3 360.885 4.267 20 0 FIADHM O=C(c1cc(Nc2cc(F)c([O-])c(F)c2)ccc1F)N1CCCCC1 ZINC001211879368 1093360274 /nfs/dbraw/zinc/36/02/74/1093360274.db2.gz KVARNQQNZFGDDL-UHFFFAOYSA-N -1 3 350.340 4.179 20 0 FIADHM Cn1ccnc1Sc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000433228598 1093442443 /nfs/dbraw/zinc/44/24/43/1093442443.db2.gz BMBOJBCPCVSDBS-UHFFFAOYSA-N -1 3 359.838 4.183 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(Cl)c2)[nH][n-]1 ZINC000512853792 1093442519 /nfs/dbraw/zinc/44/25/19/1093442519.db2.gz CPNPJLQCBNOYEP-UHFFFAOYSA-N -1 3 362.216 4.066 20 0 FIADHM CCc1ccc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c([O-])c1 ZINC000191537639 1093451450 /nfs/dbraw/zinc/45/14/50/1093451450.db2.gz DKISJGKHOGOFIG-UHFFFAOYSA-N -1 3 353.462 4.024 20 0 FIADHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000433310790 1093565270 /nfs/dbraw/zinc/56/52/70/1093565270.db2.gz JJIJTNZCDGMBPF-UHFFFAOYSA-N -1 3 366.327 4.281 20 0 FIADHM CCOc1cc(CNc2cccc(NC(=O)C3CC3)c2)cc(Cl)c1[O-] ZINC000512959725 1093605606 /nfs/dbraw/zinc/60/56/06/1093605606.db2.gz DDINNMMJDJHQNL-UHFFFAOYSA-N -1 3 360.841 4.405 20 0 FIADHM O=C([N-]c1nc2cc(Cl)ccc2s1)c1cc(-c2ccccn2)no1 ZINC000474262311 1093629293 /nfs/dbraw/zinc/62/92/93/1093629293.db2.gz AMFDBEOLMDUIMA-UHFFFAOYSA-N -1 3 356.794 4.252 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c2ccccc12 ZINC000519200912 1093671228 /nfs/dbraw/zinc/67/12/28/1093671228.db2.gz PINFSDZIMHWXTI-UHFFFAOYSA-N -1 3 363.385 4.318 20 0 FIADHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccc(C(F)(F)F)cc1 ZINC000513044933 1093690153 /nfs/dbraw/zinc/69/01/53/1093690153.db2.gz AHPFAHMUZBEDEZ-SNVBAGLBSA-N -1 3 364.327 4.216 20 0 FIADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000614357595 1093758883 /nfs/dbraw/zinc/75/88/83/1093758883.db2.gz AUALRUIDXFLCED-UHFFFAOYSA-N -1 3 373.453 4.110 20 0 FIADHM C[C@@H]1CCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@H](c2ccco2)C1 ZINC000895889733 1093762537 /nfs/dbraw/zinc/76/25/37/1093762537.db2.gz SFABHSGZFJQOEN-DIFFPNOSSA-N -1 3 372.371 4.013 20 0 FIADHM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)CO2 ZINC000474512866 1093851553 /nfs/dbraw/zinc/85/15/53/1093851553.db2.gz CJMPMJIFPVEIKX-CYBMUJFWSA-N -1 3 351.324 4.143 20 0 FIADHM CCc1ccc(-c2noc([C@H](C)NCc3c(F)ccc([O-])c3F)n2)cc1 ZINC000513165278 1093966434 /nfs/dbraw/zinc/96/64/34/1093966434.db2.gz HPAHOVLKKFBAGW-NSHDSACASA-N -1 3 359.376 4.134 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCSC4(CCC4)C3)nc2)n1 ZINC000896254070 1094489613 /nfs/dbraw/zinc/48/96/13/1094489613.db2.gz NIJBBNGYKXWWFG-HNNXBMFYSA-N -1 3 356.495 4.037 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000013938031 1094580233 /nfs/dbraw/zinc/58/02/33/1094580233.db2.gz UGUVHHFPGIVQOM-UHFFFAOYSA-N -1 3 356.683 4.187 20 0 FIADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1c[n-]c2ccccc2c1=O ZINC000042024880 1094702678 /nfs/dbraw/zinc/70/26/78/1094702678.db2.gz ZVQGUHGSDFHVSO-INIZCTEOSA-N -1 3 370.861 4.148 20 0 FIADHM COc1cc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc(OC)c1[O-] ZINC000179255588 1094773289 /nfs/dbraw/zinc/77/32/89/1094773289.db2.gz CTBGVKDHTCSREF-IBGZPJMESA-N -1 3 355.434 4.071 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ncccc1Cl ZINC000501754187 1094910967 /nfs/dbraw/zinc/91/09/67/1094910967.db2.gz WFYWWWUGEVGIIR-UHFFFAOYSA-N -1 3 365.245 4.083 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@H]1c1c(F)cccc1F ZINC000522530079 1095112812 /nfs/dbraw/zinc/11/28/12/1095112812.db2.gz OCTRZFPDNXOZLF-ZJUUUORDSA-N -1 3 368.177 4.175 20 0 FIADHM CCOc1cc(CNc2cccc([C@@H](C)C(=O)OC)c2)cc(Cl)c1[O-] ZINC000414482022 1095198836 /nfs/dbraw/zinc/19/88/36/1095198836.db2.gz CUGSMVZPCCVLCW-GFCCVEGCSA-N -1 3 363.841 4.333 20 0 FIADHM O=c1[n-]c(CN2CCC[C@H](CC(F)(F)F)C2)nc2c3ccccc3oc21 ZINC000420957569 1095200480 /nfs/dbraw/zinc/20/04/80/1095200480.db2.gz ZSJRUWINBPDTAF-LLVKDONJSA-N -1 3 365.355 4.246 20 0 FIADHM Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1Oc1ccncc1 ZINC000192591205 1095538691 /nfs/dbraw/zinc/53/86/91/1095538691.db2.gz IJUPFLYHJOPEKN-UHFFFAOYSA-N -1 3 371.396 4.276 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000444042518 1095644359 /nfs/dbraw/zinc/64/43/59/1095644359.db2.gz BQOJIYREEYNKLO-INIZCTEOSA-N -1 3 354.454 4.058 20 0 FIADHM Cc1nc2cc(Br)cc([N-]C(=O)c3cc(C4CC4)no3)c2o1 ZINC000281800181 1095699300 /nfs/dbraw/zinc/69/93/00/1095699300.db2.gz KLNYJBXTOIKTPM-UHFFFAOYSA-N -1 3 362.183 4.016 20 0 FIADHM Cc1ccc(-c2ccc(Cl)cc2NC(=O)NCc2ncccc2[O-])o1 ZINC000434207231 1096520253 /nfs/dbraw/zinc/52/02/53/1096520253.db2.gz SCXNSDLQFLQUAL-UHFFFAOYSA-N -1 3 357.797 4.331 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000515628854 1098775982 /nfs/dbraw/zinc/77/59/82/1098775982.db2.gz PHSZWDSLCCEPOY-ZDUSSCGKSA-N -1 3 360.479 4.268 20 0 FIADHM O=c1[n-]c(CN(CC2CCC2)CC(F)(F)F)nc2c3ccccc3oc21 ZINC000533338856 1098973379 /nfs/dbraw/zinc/97/33/79/1098973379.db2.gz ONNLPZRBQBEGOD-UHFFFAOYSA-N -1 3 365.355 4.246 20 0 FIADHM O=c1[n-]c(CN2CCc3[nH]c4ccccc4c3C2)nc2c3ccccc3oc21 ZINC000533376002 1098995329 /nfs/dbraw/zinc/99/53/29/1098995329.db2.gz AUWQSIVDJKICHR-UHFFFAOYSA-N -1 3 370.412 4.121 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c([O-])c1 ZINC000436482801 1099044251 /nfs/dbraw/zinc/04/42/51/1099044251.db2.gz BYWRJERZSHKADG-HNNXBMFYSA-N -1 3 350.418 4.248 20 0 FIADHM Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436493903 1099055389 /nfs/dbraw/zinc/05/53/89/1099055389.db2.gz RLYNCRKEIGSUGO-CQSZACIVSA-N -1 3 364.445 4.121 20 0 FIADHM COc1ccc2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3[O-])c2c1 ZINC000436494871 1099057246 /nfs/dbraw/zinc/05/72/46/1099057246.db2.gz OJSLDUPTDTVYMU-UHFFFAOYSA-N -1 3 352.365 4.218 20 0 FIADHM CCCN(C(=O)c1cc(CC)ccc1[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000436499418 1099060129 /nfs/dbraw/zinc/06/01/29/1099060129.db2.gz ZTDAOLZCZHLBIY-INIZCTEOSA-N -1 3 368.477 4.224 20 0 FIADHM CCCOc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1OCCC ZINC000436524545 1099082367 /nfs/dbraw/zinc/08/23/67/1099082367.db2.gz JCVLRDZZFVVSDI-UHFFFAOYSA-N -1 3 371.433 4.425 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c([O-])c1C ZINC000436548371 1099094524 /nfs/dbraw/zinc/09/45/24/1099094524.db2.gz LZTBBMAFJYJAFV-UHFFFAOYSA-N -1 3 350.422 4.170 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1[O-] ZINC000436550807 1099097008 /nfs/dbraw/zinc/09/70/08/1099097008.db2.gz VDRYPSALLMZFJG-AWEZNQCLSA-N -1 3 366.461 4.133 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)c([O-])c1 ZINC000436554700 1099099337 /nfs/dbraw/zinc/09/93/37/1099099337.db2.gz LHFOXFOFGYFNAD-UHFFFAOYSA-N -1 3 369.305 4.473 20 0 FIADHM CCCNC(=O)c1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1Cl ZINC000436542902 1099107469 /nfs/dbraw/zinc/10/74/69/1099107469.db2.gz BSTSQLIAIXCPJF-UHFFFAOYSA-N -1 3 360.841 4.000 20 0 FIADHM Cc1csc([C@H](C)NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436566028 1099116614 /nfs/dbraw/zinc/11/66/14/1099116614.db2.gz SYFKFRFZIJZXTA-AWEZNQCLSA-N -1 3 352.459 4.239 20 0 FIADHM Cc1sc(NC(=O)c2ccc(C)cc2[O-])nc1-c1c[nH]c2ncccc12 ZINC000436624231 1099152136 /nfs/dbraw/zinc/15/21/36/1099152136.db2.gz IXCUNWZUXIWLFC-UHFFFAOYSA-N -1 3 364.430 4.261 20 0 FIADHM C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000516076705 1099156317 /nfs/dbraw/zinc/15/63/17/1099156317.db2.gz VLXCXZUWRKBUKF-DNVCBOLYSA-N -1 3 362.429 4.418 20 0 FIADHM C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436636938 1099163638 /nfs/dbraw/zinc/16/36/38/1099163638.db2.gz SXNMQXGWGSRDRZ-QMHKHESXSA-N -1 3 373.452 4.317 20 0 FIADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000436667892 1099197113 /nfs/dbraw/zinc/19/71/13/1099197113.db2.gz ZBXNVVRWCHQBNL-UHFFFAOYSA-N -1 3 366.259 4.273 20 0 FIADHM CC(C)(CCCc1ccccc1)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000505862364 1099213438 /nfs/dbraw/zinc/21/34/38/1099213438.db2.gz JZIXYVRHVQEIGH-UHFFFAOYSA-N -1 3 362.473 4.307 20 0 FIADHM O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(Cl)cc1[O-] ZINC000533618949 1099216998 /nfs/dbraw/zinc/21/69/98/1099216998.db2.gz RLKQSPVHKUDPPQ-UHFFFAOYSA-N -1 3 363.200 4.265 20 0 FIADHM COc1cc(-c2nc(Cc3ccc(C(C)(C)C)cc3)no2)cc(OC)c1[O-] ZINC000436686588 1099221034 /nfs/dbraw/zinc/22/10/34/1099221034.db2.gz FITZWFOJMIPTJQ-UHFFFAOYSA-N -1 3 368.433 4.348 20 0 FIADHM CC(=O)N(c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1)[C@H]1C[C@H]1C ZINC000436738728 1099258088 /nfs/dbraw/zinc/25/80/88/1099258088.db2.gz MHSVDHUEDDKSEX-YJYMSZOUSA-N -1 3 352.434 4.023 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000436740932 1099260482 /nfs/dbraw/zinc/26/04/82/1099260482.db2.gz AYKNLRHVWDYEED-HNNXBMFYSA-N -1 3 364.214 4.271 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)c1[O-] ZINC000436747552 1099280580 /nfs/dbraw/zinc/28/05/80/1099280580.db2.gz NMAPSSMHZPEINA-UHFFFAOYSA-N -1 3 373.412 4.180 20 0 FIADHM CCSc1ccc([C@H](C)NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000436774141 1099293363 /nfs/dbraw/zinc/29/33/63/1099293363.db2.gz VQRLTZMDTJKLQZ-LBPRGKRZSA-N -1 3 361.463 4.012 20 0 FIADHM Nc1nc(C2CCCC2)ncc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436779885 1099300985 /nfs/dbraw/zinc/30/09/85/1099300985.db2.gz ARYBMGCOHTXKKM-UHFFFAOYSA-N -1 3 373.416 4.123 20 0 FIADHM Cn1cc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])c(C2CC2)n1 ZINC000436838237 1099347505 /nfs/dbraw/zinc/34/75/05/1099347505.db2.gz IYLUBHQKKBDBDI-UHFFFAOYSA-N -1 3 361.445 4.041 20 0 FIADHM CCc1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)c([O-])c1 ZINC000436839623 1099357953 /nfs/dbraw/zinc/35/79/53/1099357953.db2.gz OLUMAXXFVFREJM-UHFFFAOYSA-N -1 3 360.373 4.254 20 0 FIADHM [O-]c1ccc(Nc2ccc(F)cc2I)c(F)c1F ZINC001212007489 1099374101 /nfs/dbraw/zinc/37/41/01/1099374101.db2.gz IHABNFTYCLOVAZ-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM [O-]c1ccc(Nc2cc(F)c(OC3CCOCC3)c(F)c2)c(F)c1F ZINC001212016184 1099383455 /nfs/dbraw/zinc/38/34/55/1099383455.db2.gz BYUJWPLKHWSKRV-UHFFFAOYSA-N -1 3 357.303 4.250 20 0 FIADHM CCOC(=O)c1coc(-c2cccc(Nc3ccc([O-])c(F)c3F)c2)n1 ZINC001212016384 1099383502 /nfs/dbraw/zinc/38/35/02/1099383502.db2.gz NMIGNFGLLRGWIB-UHFFFAOYSA-N -1 3 360.316 4.246 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1[O-] ZINC000436858765 1099391264 /nfs/dbraw/zinc/39/12/64/1099391264.db2.gz HQNHXPFWRLVOAX-UHFFFAOYSA-N -1 3 351.446 4.080 20 0 FIADHM Cc1ccnc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)c1 ZINC000436894823 1099391929 /nfs/dbraw/zinc/39/19/29/1099391929.db2.gz UOAYIOXXVXFZCK-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM CC1(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCCCC1 ZINC001212045985 1099398371 /nfs/dbraw/zinc/39/83/71/1099398371.db2.gz PGXCHARMRZQOFI-UHFFFAOYSA-N -1 3 350.509 4.059 20 0 FIADHM COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000436904295 1099413049 /nfs/dbraw/zinc/41/30/49/1099413049.db2.gz YMDQUCKPMXKUMM-HNNXBMFYSA-N -1 3 373.880 4.458 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1C ZINC000032585522 1099436584 /nfs/dbraw/zinc/43/65/84/1099436584.db2.gz RJHOHSXQNMBRCU-UHFFFAOYSA-N -1 3 361.797 4.359 20 0 FIADHM C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC1(F)F ZINC000436927915 1099441382 /nfs/dbraw/zinc/44/13/82/1099441382.db2.gz AMFDBNVHAAWOID-OAHLLOKOSA-N -1 3 359.416 4.295 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)c([O-])c1 ZINC000436932642 1099445788 /nfs/dbraw/zinc/44/57/88/1099445788.db2.gz PVEHXAZWRASRKG-JOCHJYFZSA-N -1 3 351.446 4.126 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000436939162 1099451193 /nfs/dbraw/zinc/45/11/93/1099451193.db2.gz NXXAOTQNBXZWMK-UHFFFAOYSA-N -1 3 354.369 4.448 20 0 FIADHM CO[C@@H](C)c1nc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)cs1 ZINC000436954014 1099471880 /nfs/dbraw/zinc/47/18/80/1099471880.db2.gz CYHNXUDLDNZLDL-NSHDSACASA-N -1 3 367.430 4.350 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436986435 1099505449 /nfs/dbraw/zinc/50/54/49/1099505449.db2.gz JPGHUHDQGWCCPA-MRXNPFEDSA-N -1 3 357.425 4.340 20 0 FIADHM CCOc1c(Cl)cc(-c2noc(-c3ccc(C)cc3[O-])n2)cc1OC ZINC000436998837 1099518595 /nfs/dbraw/zinc/51/85/95/1099518595.db2.gz JYPCSETVQXQGDQ-UHFFFAOYSA-N -1 3 360.797 4.478 20 0 FIADHM COc1cccc(-c2nc(Cc3csc(-c4ccccc4)n3)no2)c1[O-] ZINC000436999294 1099519254 /nfs/dbraw/zinc/51/92/54/1099519254.db2.gz KMAURVASGNJTGP-UHFFFAOYSA-N -1 3 365.414 4.165 20 0 FIADHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000437109621 1099614950 /nfs/dbraw/zinc/61/49/50/1099614950.db2.gz SIZVWWSWYSPCIG-HXUWFJFHSA-N -1 3 366.436 4.007 20 0 FIADHM CCCc1c(C(=O)Nc2cccc([O-])c2F)cnn1-c1cccc(F)c1 ZINC000544259760 1099695190 /nfs/dbraw/zinc/69/51/90/1099695190.db2.gz PVEXHJABRGFMSS-UHFFFAOYSA-N -1 3 357.360 4.061 20 0 FIADHM C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000263166239 1099767752 /nfs/dbraw/zinc/76/77/52/1099767752.db2.gz PJNDCOTWAMOUGO-INIZCTEOSA-N -1 3 370.396 4.126 20 0 FIADHM Cc1ccc(-c2cnc(NC(=O)c3cc(F)cc4n[n-]nc43)s2)c(C)c1 ZINC000506023871 1099788182 /nfs/dbraw/zinc/78/81/82/1099788182.db2.gz CZYXGKUXGJELPX-UHFFFAOYSA-N -1 3 367.409 4.090 20 0 FIADHM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2cccc(Br)c2)s1 ZINC000263428150 1099789941 /nfs/dbraw/zinc/78/99/41/1099789941.db2.gz RFONUEHGIVVXCT-CQSZACIVSA-N -1 3 366.280 4.227 20 0 FIADHM [O-]c1cccc(CNC2(c3nccs3)CCCC2)c1Br ZINC000459406024 1100116244 /nfs/dbraw/zinc/11/62/44/1100116244.db2.gz GGQAZCFDTYXVOF-UHFFFAOYSA-N -1 3 353.285 4.170 20 0 FIADHM CCOc1cccc2cc([C@@H](C)NCc3cc(=O)[n-]c(C4CC4)n3)oc21 ZINC000459396698 1100121100 /nfs/dbraw/zinc/12/11/00/1100121100.db2.gz CTEJBFKAVGXEDM-GFCCVEGCSA-N -1 3 353.422 4.055 20 0 FIADHM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000437732722 1100150027 /nfs/dbraw/zinc/15/00/27/1100150027.db2.gz FESVRWBEWKTIRU-CYBMUJFWSA-N -1 3 374.510 4.153 20 0 FIADHM CC(C)Sc1ccc([C@H](C)NC(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000517194407 1100152207 /nfs/dbraw/zinc/15/22/07/1100152207.db2.gz CSWXFAWIFUZORL-AWEZNQCLSA-N -1 3 354.479 4.139 20 0 FIADHM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473587424 1100553415 /nfs/dbraw/zinc/55/34/15/1100553415.db2.gz DQFRGFIFLCEYHA-CQSZACIVSA-N -1 3 357.303 4.346 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1C ZINC000438767816 1100905712 /nfs/dbraw/zinc/90/57/12/1100905712.db2.gz XLWXCQVIWJIGKM-UHFFFAOYSA-N -1 3 373.478 4.043 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1C ZINC000438774651 1100909243 /nfs/dbraw/zinc/90/92/43/1100909243.db2.gz FFAQMENMGIUTFT-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM Cc1sc(CNC(=O)c2ccc(O)cc2[O-])nc1-c1ccc(Cl)cc1 ZINC000439054123 1101120779 /nfs/dbraw/zinc/12/07/79/1101120779.db2.gz GXVOHSSNGBOPCL-UHFFFAOYSA-N -1 3 374.849 4.113 20 0 FIADHM O=C(CCC(F)(F)F)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000439160165 1101206014 /nfs/dbraw/zinc/20/60/14/1101206014.db2.gz YVEQPNPCBJLQQB-UHFFFAOYSA-N -1 3 352.143 4.086 20 0 FIADHM CCc1c2ccccc2oc1C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431061 1101315118 /nfs/dbraw/zinc/31/51/18/1101315118.db2.gz GGDBPPHSUPSGHT-UHFFFAOYSA-N -1 3 371.746 4.082 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2sccc2C)o1 ZINC000536895239 1101315000 /nfs/dbraw/zinc/31/50/00/1101315000.db2.gz YLZVTUUFMWAAFB-INIZCTEOSA-N -1 3 361.488 4.220 20 0 FIADHM CCc1ccc2occ(C(=O)N=c3[n-]n(CC(F)(F)F)cc3Cl)c2c1 ZINC000648431062 1101315396 /nfs/dbraw/zinc/31/53/96/1101315396.db2.gz GGIFPJYAAYOXKR-UHFFFAOYSA-N -1 3 371.746 4.082 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@@H]1CCC[C@@H](O)C1 ZINC000439313075 1101324688 /nfs/dbraw/zinc/32/46/88/1101324688.db2.gz CNHZVECUROUNTH-TZMCWYRMSA-N -1 3 368.458 4.159 20 0 FIADHM CC(=O)c1cnc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])s1 ZINC000439416323 1101414779 /nfs/dbraw/zinc/41/47/79/1101414779.db2.gz AEVWAYIWMDNUAF-UHFFFAOYSA-N -1 3 366.442 4.089 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000537078328 1101443457 /nfs/dbraw/zinc/44/34/57/1101443457.db2.gz APTCUXQSQXFZTD-IBGZPJMESA-N -1 3 367.880 4.472 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(COCC(F)(F)F)nc(=O)c23)cc1 ZINC000055494820 1101674903 /nfs/dbraw/zinc/67/49/03/1101674903.db2.gz OSSKLMFUYUKGEZ-UHFFFAOYSA-N -1 3 354.353 4.039 20 0 FIADHM O=C(C[C@H]1CCOC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000518871315 1101676245 /nfs/dbraw/zinc/67/62/45/1101676245.db2.gz HRINPJVLBUUGBZ-GFCCVEGCSA-N -1 3 354.431 4.034 20 0 FIADHM O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186229510 1101759410 /nfs/dbraw/zinc/75/94/10/1101759410.db2.gz WPDXFYRIDOYAQF-UHFFFAOYSA-N -1 3 367.342 4.044 20 0 FIADHM O=S(=O)([N-]Cc1ccc(-c2ccccc2)o1)c1cc(F)ccc1Cl ZINC000518954364 1101761999 /nfs/dbraw/zinc/76/19/99/1101761999.db2.gz REUMKNHJHIDHLV-UHFFFAOYSA-N -1 3 365.813 4.218 20 0 FIADHM C[C@]1(c2ccccc2)CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000518990848 1101812479 /nfs/dbraw/zinc/81/24/79/1101812479.db2.gz TWPOHWUPIXZHCV-QFIPXVFZSA-N -1 3 362.429 4.203 20 0 FIADHM Cc1nn(-c2ccc(C)cc2)cc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000653503488 1101852609 /nfs/dbraw/zinc/85/26/09/1101852609.db2.gz IUDNDUWEHWJNDF-IERDGZPVSA-N -1 3 363.461 4.041 20 0 FIADHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000024887575 1101921277 /nfs/dbraw/zinc/92/12/77/1101921277.db2.gz VMHBHZJUILDKIL-UHFFFAOYSA-N -1 3 372.490 4.358 20 0 FIADHM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)[N-]OCC(F)F ZINC000760457813 1101977911 /nfs/dbraw/zinc/97/79/11/1101977911.db2.gz ARMSABHROBZZJL-UHFFFAOYSA-N -1 3 356.372 4.066 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000476148199 1101984219 /nfs/dbraw/zinc/98/42/19/1101984219.db2.gz JKMXSFXDDMDTHA-MNOVXSKESA-N -1 3 357.278 4.431 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc4c(ccc(C)c4C)[nH]3)cc2)n1 ZINC000116735829 1101993305 /nfs/dbraw/zinc/99/33/05/1101993305.db2.gz KLBFWURYQZPXFF-UHFFFAOYSA-N -1 3 372.428 4.096 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000519200862 1102004733 /nfs/dbraw/zinc/00/47/33/1102004733.db2.gz KRVRPYFTLYMVFE-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM Cc1nccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1Cl ZINC000671151835 1102092221 /nfs/dbraw/zinc/09/22/21/1102092221.db2.gz CRELBSZKMCSFMU-UHFFFAOYSA-N -1 3 359.278 4.043 20 0 FIADHM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCN1c1ccccc1 ZINC000476309439 1102099342 /nfs/dbraw/zinc/09/93/42/1102099342.db2.gz LLZAFPHNBUKPFE-DOMZBBRYSA-N -1 3 364.367 4.265 20 0 FIADHM COc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1OC1CCCC1 ZINC000263395923 1102111709 /nfs/dbraw/zinc/11/17/09/1102111709.db2.gz GNPJXIXFZSIONY-UHFFFAOYSA-N -1 3 355.434 4.005 20 0 FIADHM CC1(C)CN(c2ccc(Cl)cc2)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263414649 1102124738 /nfs/dbraw/zinc/12/47/38/1102124738.db2.gz MUCRVLXOMPQKCM-UHFFFAOYSA-N -1 3 358.869 4.139 20 0 FIADHM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000263429418 1102138942 /nfs/dbraw/zinc/13/89/42/1102138942.db2.gz RQIBFPJJOKNHFF-CQSZACIVSA-N -1 3 355.381 4.483 20 0 FIADHM Cc1ccc(-c2csc3[n-]c(CC(=O)c4ccco4)nc(=O)c23)s1 ZINC000053843160 1102212572 /nfs/dbraw/zinc/21/25/72/1102212572.db2.gz NEOXJWLTBPMXMM-UHFFFAOYSA-N -1 3 356.428 4.040 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)c(F)cc1F ZINC000440375905 1102238420 /nfs/dbraw/zinc/23/84/20/1102238420.db2.gz FCFQOTXUZRUQPU-JTQLQIEISA-N -1 3 374.478 4.067 20 0 FIADHM CC(C)Cc1ncc(CN2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC000666586680 1102310907 /nfs/dbraw/zinc/31/09/07/1102310907.db2.gz TWPYINDCVAAASK-UHFFFAOYSA-N -1 3 358.507 4.419 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCC4(CC4)C3)c2)n1 ZINC000666587534 1102311958 /nfs/dbraw/zinc/31/19/58/1102311958.db2.gz JPUZVAXNFSRMRA-OAHLLOKOSA-N -1 3 351.450 4.321 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@]3(C)CC=C(C)CC3)c2)n1 ZINC000666587857 1102318133 /nfs/dbraw/zinc/31/81/33/1102318133.db2.gz PTPSMORBSLPEEG-NRFANRHFSA-N -1 3 351.450 4.487 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000473634524 1102339021 /nfs/dbraw/zinc/33/90/21/1102339021.db2.gz VFUHBBYNFGIQFO-UHFFFAOYSA-N -1 3 354.793 4.163 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 ZINC000110592072 1102395272 /nfs/dbraw/zinc/39/52/72/1102395272.db2.gz ROOFRNUWTSZFCU-UHFFFAOYSA-N -1 3 360.479 4.089 20 0 FIADHM Cc1nc(Cl)cc(Sc2nnc([N-]c3ccccc3F)s2)n1 ZINC000301143308 1102405787 /nfs/dbraw/zinc/40/57/87/1102405787.db2.gz HMJGDJFMTKGOMH-UHFFFAOYSA-N -1 3 353.835 4.324 20 0 FIADHM O=C([N-]c1cc(F)c(Br)cc1F)c1c(F)ccc(F)c1F ZINC000121536143 1102412530 /nfs/dbraw/zinc/41/25/30/1102412530.db2.gz XMDWGEZITKUWTH-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](c2ccccc2C)C(C)C)c1 ZINC000122458767 1102580021 /nfs/dbraw/zinc/58/00/21/1102580021.db2.gz GJUMCXNHAKGEDV-FQEVSTJZSA-N -1 3 354.450 4.128 20 0 FIADHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000608030782 1102632609 /nfs/dbraw/zinc/63/26/09/1102632609.db2.gz GQJKBYGKMNQBLQ-GOEBONIOSA-N -1 3 356.274 4.002 20 0 FIADHM CCOc1cc(CN(C)Cc2nc3c(s2)CCCC3)cc(Cl)c1[O-] ZINC000459341954 1102866095 /nfs/dbraw/zinc/86/60/95/1102866095.db2.gz GFMMHKAYNKAOTK-UHFFFAOYSA-N -1 3 366.914 4.412 20 0 FIADHM CCOc1cc(CNc2cccc(C(=O)N3CCCC3)c2)cc(Cl)c1[O-] ZINC000459353759 1102897093 /nfs/dbraw/zinc/89/70/93/1102897093.db2.gz UMNACDHBDDTLCN-UHFFFAOYSA-N -1 3 374.868 4.292 20 0 FIADHM Cc1cc(Br)ccc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000426683279 1102918176 /nfs/dbraw/zinc/91/81/76/1102918176.db2.gz QLNVLUOYZWSQTM-CQSZACIVSA-N -1 3 354.269 4.125 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2ccc(Cl)s2)c([O-])c1 ZINC000536621651 1102923727 /nfs/dbraw/zinc/92/37/27/1102923727.db2.gz XTEPJITUEOQVTC-VIFPVBQESA-N -1 3 353.827 4.026 20 0 FIADHM COc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1OCCC(C)C ZINC000426688500 1102934199 /nfs/dbraw/zinc/93/41/99/1102934199.db2.gz QOUPWYRSUQPVLC-UHFFFAOYSA-N -1 3 357.450 4.108 20 0 FIADHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cnc(CC(C)C)s2)cc1 ZINC000426732527 1102951631 /nfs/dbraw/zinc/95/16/31/1102951631.db2.gz UGKCBUBXBCNZIO-QGZVFWFLSA-N -1 3 362.495 4.046 20 0 FIADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1Br ZINC000426743510 1102960555 /nfs/dbraw/zinc/96/05/55/1102960555.db2.gz ODRMBPFCOLBSJU-OAHLLOKOSA-N -1 3 368.658 4.326 20 0 FIADHM Cc1cccc([C@@H](NCc2ccc(F)c(Br)c2)C(=O)[O-])c1C ZINC000426728179 1102962701 /nfs/dbraw/zinc/96/27/01/1102962701.db2.gz UCBHVNQJDLXFNG-MRXNPFEDSA-N -1 3 366.230 4.121 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(C)c1 ZINC000614844566 1102969415 /nfs/dbraw/zinc/96/94/15/1102969415.db2.gz ZYNJRIOJNKLYPX-UHFFFAOYSA-N -1 3 359.369 4.153 20 0 FIADHM Cc1ccc2cc(CN[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)ccc2n1 ZINC000426756481 1102972461 /nfs/dbraw/zinc/97/24/61/1102972461.db2.gz KIUPQCKAFALHLM-GOSISDBHSA-N -1 3 358.800 4.251 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000426760602 1102974137 /nfs/dbraw/zinc/97/41/37/1102974137.db2.gz SPQIUKOGDXEJTP-AUUYWEPGSA-N -1 3 369.852 4.077 20 0 FIADHM Cc1ccc(OCc2nc(CN[C@H]3CCCC[C@@]3(C)C(=O)[O-])cs2)cc1 ZINC000426762938 1102976748 /nfs/dbraw/zinc/97/67/48/1102976748.db2.gz ORZWVQAYUQBOIO-FXAWDEMLSA-N -1 3 374.506 4.154 20 0 FIADHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1OCC(C)C ZINC000426771131 1102977683 /nfs/dbraw/zinc/97/76/83/1102977683.db2.gz ZBJICJMPDRNXQS-FQEVSTJZSA-N -1 3 357.450 4.036 20 0 FIADHM O=C(CCCc1cc(Cl)sc1Cl)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473851082 1102999628 /nfs/dbraw/zinc/99/96/28/1102999628.db2.gz ANEPHTXLVWATBV-LLVKDONJSA-N -1 3 374.293 4.013 20 0 FIADHM CC(=O)N(Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1)C(C)C ZINC000551247407 1103010899 /nfs/dbraw/zinc/01/08/99/1103010899.db2.gz AWYKYSXPBGBCGP-UHFFFAOYSA-N -1 3 360.841 4.055 20 0 FIADHM CCc1ccc([C@H](NCc2ccc(OC(F)F)c(Cl)c2)C(=O)[O-])cc1 ZINC000426815457 1103011850 /nfs/dbraw/zinc/01/18/50/1103011850.db2.gz FQUKLABVQMIEQO-INIZCTEOSA-N -1 3 369.795 4.419 20 0 FIADHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000614863696 1103012181 /nfs/dbraw/zinc/01/21/81/1103012181.db2.gz ZSMRYVPLFIFURG-UHFFFAOYSA-N -1 3 357.834 4.376 20 0 FIADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1F ZINC000551420623 1103201876 /nfs/dbraw/zinc/20/18/76/1103201876.db2.gz GFMVAAYUNOUVQP-OAHLLOKOSA-N -1 3 371.330 4.159 20 0 FIADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000551435027 1103215868 /nfs/dbraw/zinc/21/58/68/1103215868.db2.gz QVKHEDCWDSGINN-INIZCTEOSA-N -1 3 353.340 4.020 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(OCC2CCCCC2)CC1 ZINC000551480651 1103267741 /nfs/dbraw/zinc/26/77/41/1103267741.db2.gz VPUADNVRIPLCPG-UHFFFAOYSA-N -1 3 351.874 4.247 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(OC(F)F)cc2)Cc2ccccc2)[n-]1 ZINC000477406324 1103464527 /nfs/dbraw/zinc/46/45/27/1103464527.db2.gz NBNLOBBUPYUMDI-DTQAZKPQSA-N -1 3 354.356 4.155 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(Cl)cc1F ZINC000507584918 1103514664 /nfs/dbraw/zinc/51/46/64/1103514664.db2.gz QOEORHFVLSPTMH-UHFFFAOYSA-N -1 3 366.801 4.243 20 0 FIADHM CSc1ccc([O-])c(-c2nc(CCCCn3cnc(C)c3C)no2)c1 ZINC000664914626 1103715960 /nfs/dbraw/zinc/71/59/60/1103715960.db2.gz GYUXXVMJFOIDEJ-UHFFFAOYSA-N -1 3 358.467 4.000 20 0 FIADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000520298342 1104237122 /nfs/dbraw/zinc/23/71/22/1104237122.db2.gz YOLJFYCVTOXISG-UHFFFAOYSA-N -1 3 352.264 4.002 20 0 FIADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000520303037 1104251347 /nfs/dbraw/zinc/25/13/47/1104251347.db2.gz OBJAQYBJPPDKER-UHFFFAOYSA-N -1 3 369.284 4.469 20 0 FIADHM CCN(C(=O)c1ccccc1[O-])[C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000112814631 1104408919 /nfs/dbraw/zinc/40/89/19/1104408919.db2.gz YSAVFPNAYSEAKB-FQEVSTJZSA-N -1 3 368.383 4.317 20 0 FIADHM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1c[n-]c2ccccc2c1=O ZINC000113199827 1104496221 /nfs/dbraw/zinc/49/62/21/1104496221.db2.gz NLZNUKJUSWBEJX-INIZCTEOSA-N -1 3 373.239 4.252 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3C3CCCC3)cc2)cc(=O)[n-]1 ZINC000328854883 1104579731 /nfs/dbraw/zinc/57/97/31/1104579731.db2.gz SYXXRZWNSATCEX-IBGZPJMESA-N -1 3 366.465 4.344 20 0 FIADHM COc1cc(-c2nc3ccc(Br)cc3n2C)cc(Cl)c1[O-] ZINC000536302002 1104636407 /nfs/dbraw/zinc/63/64/07/1104636407.db2.gz JKVXOAXQJOFECB-UHFFFAOYSA-N -1 3 367.630 4.370 20 0 FIADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000520469347 1104809121 /nfs/dbraw/zinc/80/91/21/1104809121.db2.gz SGNOJLCYYUEXFG-LJQANCHMSA-N -1 3 374.444 4.275 20 0 FIADHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000520565001 1105001393 /nfs/dbraw/zinc/00/13/93/1105001393.db2.gz ZACBYOOHWXALKC-HIFRSBDPSA-N -1 3 361.388 4.442 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)c1Cl ZINC000614601606 1105021338 /nfs/dbraw/zinc/02/13/38/1105021338.db2.gz OFFOFVCJZOGGSR-JTQLQIEISA-N -1 3 364.319 4.273 20 0 FIADHM O=C([O-])[C@@H](CC1CC1)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000417626720 1105025689 /nfs/dbraw/zinc/02/56/89/1105025689.db2.gz RLRGZGDJLDWXKG-CQSZACIVSA-N -1 3 370.396 4.172 20 0 FIADHM O=C([O-])[C@H]1C[C@H](NCc2ccc(F)c(C(F)(F)F)c2)c2ccccc21 ZINC000417628262 1105027466 /nfs/dbraw/zinc/02/74/66/1105027466.db2.gz VXTFPDQZJUZFBT-BBRMVZONSA-N -1 3 353.315 4.247 20 0 FIADHM Cc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(OC(F)F)cc1C ZINC000417629442 1105030116 /nfs/dbraw/zinc/03/01/16/1105030116.db2.gz QFGJYWSSYQQCCX-DLBZAZTESA-N -1 3 361.388 4.308 20 0 FIADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000614621710 1105048824 /nfs/dbraw/zinc/04/88/24/1105048824.db2.gz CPGRUPLDDCIXEZ-ONGXEEELSA-N -1 3 360.262 4.188 20 0 FIADHM Cc1ccccc1-n1ncc(C(=O)Nc2cccc([O-])c2F)c1C(C)C ZINC000189856658 1105119839 /nfs/dbraw/zinc/11/98/39/1105119839.db2.gz PWKVHFQVBKUUAV-UHFFFAOYSA-N -1 3 353.397 4.401 20 0 FIADHM O=C(Nc1ncccc1[O-])c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000520761697 1105208792 /nfs/dbraw/zinc/20/87/92/1105208792.db2.gz BGKUDMYFLPRVBF-UHFFFAOYSA-N -1 3 366.229 4.470 20 0 FIADHM O=S(=O)(CCCCF)[N-]c1cccc(Cl)c1SCC(F)F ZINC000451008700 1106888344 /nfs/dbraw/zinc/88/83/44/1106888344.db2.gz HGRGTSQKIRJCGN-UHFFFAOYSA-N -1 3 361.838 4.189 20 0 FIADHM CCOc1ccc(-c2nc(CN3[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]3C)cs2)cc1 ZINC000530175519 1106905505 /nfs/dbraw/zinc/90/55/05/1106905505.db2.gz QCLRVUZLBAEJQG-MIFYACCESA-N -1 3 374.506 4.282 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)Cc3ccc(C)cc3C)nc2)n1 ZINC000301161125 1106950362 /nfs/dbraw/zinc/95/03/62/1106950362.db2.gz BZPDQYOCSDCPQL-INIZCTEOSA-N -1 3 362.477 4.467 20 0 FIADHM [O-]c1ccc(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1F ZINC000301397503 1107017594 /nfs/dbraw/zinc/01/75/94/1107017594.db2.gz NYSUWSRSZUZOBV-UHFFFAOYSA-N -1 3 364.302 4.014 20 0 FIADHM Cc1csc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000451356570 1107049631 /nfs/dbraw/zinc/04/96/31/1107049631.db2.gz BGYOCMLTRJJFRF-LBPRGKRZSA-N -1 3 367.389 4.168 20 0 FIADHM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000614736975 1107052103 /nfs/dbraw/zinc/05/21/03/1107052103.db2.gz XWUJMGWDBKBRGN-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(Cc3cccs3)C3CC3)nc2)n1 ZINC000301558310 1107070128 /nfs/dbraw/zinc/07/01/28/1107070128.db2.gz XGUCLNZHLUXLNG-UHFFFAOYSA-N -1 3 352.463 4.037 20 0 FIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000530498876 1107083232 /nfs/dbraw/zinc/08/32/32/1107083232.db2.gz WFMXHEGONKHAQW-UHFFFAOYSA-N -1 3 374.853 4.360 20 0 FIADHM CCOc1cc(C)ccc1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301614464 1107088486 /nfs/dbraw/zinc/08/84/86/1107088486.db2.gz UPXADFQPRSNFNA-UHFFFAOYSA-N -1 3 364.449 4.126 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(CCC(C)C)CC3)nc2)n1 ZINC000301619411 1107089162 /nfs/dbraw/zinc/08/91/62/1107089162.db2.gz DLMTUVOKAWNYDX-UHFFFAOYSA-N -1 3 354.498 4.459 20 0 FIADHM Cc1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1C ZINC000301656095 1107099795 /nfs/dbraw/zinc/09/97/95/1107099795.db2.gz VEFSSNRBLGRBIM-UHFFFAOYSA-N -1 3 362.458 4.430 20 0 FIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000530549573 1107132210 /nfs/dbraw/zinc/13/22/10/1107132210.db2.gz BHYZZSRESLMVDF-UHFFFAOYSA-N -1 3 368.462 4.323 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@H](C(CC)CC)C3)nc2)n1 ZINC000302056773 1107279835 /nfs/dbraw/zinc/27/98/35/1107279835.db2.gz QDPCRFQQOBYVDN-MSOLQXFVSA-N -1 3 370.497 4.202 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCO[C@@H](C(CC)CC)C3)nc2)n1 ZINC000302056774 1107280226 /nfs/dbraw/zinc/28/02/26/1107280226.db2.gz QDPCRFQQOBYVDN-QZTJIDSGSA-N -1 3 370.497 4.202 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OC(F)F)cc1 ZINC000530916735 1107408416 /nfs/dbraw/zinc/40/84/16/1107408416.db2.gz LCEKKDBOGJYXMJ-UHFFFAOYSA-N -1 3 358.138 4.008 20 0 FIADHM COc1cccc(Cl)c1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302731088 1107422244 /nfs/dbraw/zinc/42/22/44/1107422244.db2.gz SNFFTOTXIQVXBU-UHFFFAOYSA-N -1 3 370.840 4.135 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1C ZINC000101850523 1107577375 /nfs/dbraw/zinc/57/73/75/1107577375.db2.gz PKRVICLUFCYKCN-UHFFFAOYSA-N -1 3 368.458 4.175 20 0 FIADHM CC(C)OC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000531160357 1107599779 /nfs/dbraw/zinc/59/97/79/1107599779.db2.gz UWQLUQDLVZUSFR-UHFFFAOYSA-N -1 3 353.462 4.013 20 0 FIADHM COc1ccccc1-c1nnc([N-]C(=O)c2csc(C(C)C)n2)s1 ZINC000452524227 1107770852 /nfs/dbraw/zinc/77/08/52/1107770852.db2.gz HZZZFKDTDTWNRO-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM Cc1c([O-])ccc2c(CN[C@@H](c3ccccc3)c3ccccn3)cc(=O)oc12 ZINC000025420397 1107819603 /nfs/dbraw/zinc/81/96/03/1107819603.db2.gz UOAPWBTXOHIFKQ-QFIPXVFZSA-N -1 3 372.424 4.081 20 0 FIADHM O=C(Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)c1cnn[n-]1 ZINC000444436090 1107828283 /nfs/dbraw/zinc/82/82/83/1107828283.db2.gz LYJPZQJREGONDD-UHFFFAOYSA-N -1 3 371.809 4.112 20 0 FIADHM O=C(Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)c1c[n-]nn1 ZINC000444436090 1107828300 /nfs/dbraw/zinc/82/83/00/1107828300.db2.gz LYJPZQJREGONDD-UHFFFAOYSA-N -1 3 371.809 4.112 20 0 FIADHM O=C(Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1)c1cn[n-]n1 ZINC000444436090 1107828319 /nfs/dbraw/zinc/82/83/19/1107828319.db2.gz LYJPZQJREGONDD-UHFFFAOYSA-N -1 3 371.809 4.112 20 0 FIADHM C[C@@H]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H](c2ccccc2)C1 ZINC000666001704 1107879313 /nfs/dbraw/zinc/87/93/13/1107879313.db2.gz PGMZIOCULVRVAB-CGTJXYLNSA-N -1 3 360.457 4.230 20 0 FIADHM CCc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1[O-] ZINC000531432528 1107882108 /nfs/dbraw/zinc/88/21/08/1107882108.db2.gz OGIHIUGXYBKIKG-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM CCn1c(C)cc(C(=O)Nc2c(C)c(Br)ccc2[O-])c1C ZINC000452748583 1107929679 /nfs/dbraw/zinc/92/96/79/1107929679.db2.gz KHQFLLYFWVLZMA-UHFFFAOYSA-N -1 3 351.244 4.154 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452747312 1107930321 /nfs/dbraw/zinc/93/03/21/1107930321.db2.gz HYQFCHDMKBUEPO-UHFFFAOYSA-N -1 3 367.243 4.210 20 0 FIADHM CCC(CC)n1ccc(C(=O)Nc2c([O-])ccc(Br)c2C)n1 ZINC000452749690 1107931316 /nfs/dbraw/zinc/93/13/16/1107931316.db2.gz MSJKTCMIJWTTHA-UHFFFAOYSA-N -1 3 366.259 4.273 20 0 FIADHM Cc1ccc(Br)c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000531673854 1108062582 /nfs/dbraw/zinc/06/25/82/1108062582.db2.gz QFVHYDAQASDMJG-UHFFFAOYSA-N -1 3 370.250 4.130 20 0 FIADHM CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3ccc(C)cc3[O-])n2)cc1 ZINC000445274847 1108595283 /nfs/dbraw/zinc/59/52/83/1108595283.db2.gz NGFKDEWGJVOQRB-AWEZNQCLSA-N -1 3 365.433 4.445 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(-c3nnco3)cc2)no1 ZINC000445392522 1108708619 /nfs/dbraw/zinc/70/86/19/1108708619.db2.gz MFOIWMYISAKUQZ-UHFFFAOYSA-N -1 3 356.341 4.312 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cnn(-c3ccccc3)c2)no1 ZINC000445429688 1108740367 /nfs/dbraw/zinc/74/03/67/1108740367.db2.gz BKSDTGBJLFGBCE-UHFFFAOYSA-N -1 3 354.369 4.448 20 0 FIADHM COc1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1 ZINC000426754535 1108780453 /nfs/dbraw/zinc/78/04/53/1108780453.db2.gz RBJWKTTVVLUWRB-MRXNPFEDSA-N -1 3 354.233 4.308 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cnn(Cc3ccc(F)cc3)c2)CC)n1 ZINC000193617182 1108784316 /nfs/dbraw/zinc/78/43/16/1108784316.db2.gz LNMQMXCYDAWQKZ-LICLKQGHSA-N -1 3 366.440 4.057 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)c(Br)c1)c1ccccc1 ZINC000426756060 1108793934 /nfs/dbraw/zinc/79/39/34/1108793934.db2.gz HOXQBYOAQPUQOV-ZBEGNZNMSA-N -1 3 366.230 4.140 20 0 FIADHM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000524149769 1108860369 /nfs/dbraw/zinc/86/03/69/1108860369.db2.gz FWLWOYFGYCNFCP-QGZVFWFLSA-N -1 3 354.454 4.344 20 0 FIADHM CC[C@H]1CCCCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000524149768 1108860907 /nfs/dbraw/zinc/86/09/07/1108860907.db2.gz FWLWOYFGYCNFCP-KRWDZBQOSA-N -1 3 354.454 4.344 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Sc2ccc(F)cc2)cc1)c1ccco1 ZINC000445711383 1108962250 /nfs/dbraw/zinc/96/22/50/1108962250.db2.gz GZRUQEMDSDFMQY-UHFFFAOYSA-N -1 3 363.435 4.048 20 0 FIADHM O=C(CCCc1csc2ccccc12)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000446161558 1109133461 /nfs/dbraw/zinc/13/34/61/1109133461.db2.gz KJPUVSHXFZSSMI-UHFFFAOYSA-N -1 3 363.446 4.043 20 0 FIADHM O=C(CCCc1csc2ccccc12)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000446161558 1109133466 /nfs/dbraw/zinc/13/34/66/1109133466.db2.gz KJPUVSHXFZSSMI-UHFFFAOYSA-N -1 3 363.446 4.043 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000525063508 1109246154 /nfs/dbraw/zinc/24/61/54/1109246154.db2.gz XWBSMHFNHNLXLI-PWSUYJOCSA-N -1 3 368.177 4.175 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000525577499 1109430551 /nfs/dbraw/zinc/43/05/51/1109430551.db2.gz LQJNIWLPTRVUQY-MNOVXSKESA-N -1 3 368.177 4.175 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1C ZINC000525751561 1109508090 /nfs/dbraw/zinc/50/80/90/1109508090.db2.gz WITITHPDRYFYPF-UHFFFAOYSA-N -1 3 373.396 4.299 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3C[C@@H]3C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000525778556 1109515961 /nfs/dbraw/zinc/51/59/61/1109515961.db2.gz HUHLRYNEKVIOET-MJGOQNOKSA-N -1 3 366.465 4.248 20 0 FIADHM C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CO1 ZINC000525882832 1109543670 /nfs/dbraw/zinc/54/36/70/1109543670.db2.gz UGJBBTLFUXYGEG-VXGBXAGGSA-N -1 3 354.431 4.032 20 0 FIADHM CCc1cccc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1[O-] ZINC000526023795 1109599168 /nfs/dbraw/zinc/59/91/68/1109599168.db2.gz IUEQMUSGFLRFOM-UHFFFAOYSA-N -1 3 363.461 4.090 20 0 FIADHM Cc1nc(CSc2ccccc2C(=O)Nc2nc(C)ccc2[O-])cs1 ZINC000447636154 1109610872 /nfs/dbraw/zinc/61/08/72/1109610872.db2.gz GWVAUBCYUAKHDC-UHFFFAOYSA-N -1 3 371.487 4.405 20 0 FIADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)c1cccc2n[n-]nc21 ZINC000526119985 1109625999 /nfs/dbraw/zinc/62/59/99/1109625999.db2.gz MCMMAEQPBNHDCQ-WFASDCNBSA-N -1 3 374.366 4.043 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(OC(F)F)c(F)c1 ZINC000447794606 1109641605 /nfs/dbraw/zinc/64/16/05/1109641605.db2.gz LCOVHYHMSZVXTG-UHFFFAOYSA-N -1 3 369.723 4.020 20 0 FIADHM Cc1cc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c(C(F)(F)F)o1 ZINC000448488544 1109807044 /nfs/dbraw/zinc/80/70/44/1109807044.db2.gz BXVDRISHYODAIA-UHFFFAOYSA-N -1 3 354.259 4.075 20 0 FIADHM Cc1cc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)nn1C1CCCCC1 ZINC000448536418 1109822033 /nfs/dbraw/zinc/82/20/33/1109822033.db2.gz AQWSLIKSEUKNHL-UHFFFAOYSA-N -1 3 368.412 4.165 20 0 FIADHM Cc1ccc(-c2ocnc2C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)cc1 ZINC000448542336 1109825645 /nfs/dbraw/zinc/82/56/45/1109825645.db2.gz JJLVVJNVGKCGCN-UHFFFAOYSA-N -1 3 363.348 4.118 20 0 FIADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([O-])cc(Br)c1 ZINC000528643970 1110056896 /nfs/dbraw/zinc/05/68/96/1110056896.db2.gz IHTVUWOJDMLKBM-MRXNPFEDSA-N -1 3 363.255 4.163 20 0 FIADHM CCCc1nc(C)c(NC(=O)c2cc([O-])cc(Br)c2)s1 ZINC000529068184 1110191667 /nfs/dbraw/zinc/19/16/67/1110191667.db2.gz JBSCNQMGJXEAOR-UHFFFAOYSA-N -1 3 355.257 4.124 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC000449917266 1110199936 /nfs/dbraw/zinc/19/99/36/1110199936.db2.gz ZGWYGJOADHZQCD-TZMCWYRMSA-N -1 3 351.780 4.134 20 0 FIADHM Cc1ccc([O-])c(NC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)n1 ZINC001626416785 1110213154 /nfs/dbraw/zinc/21/31/54/1110213154.db2.gz LAOXOTJMSJHSFA-UHFFFAOYSA-N -1 3 361.829 4.108 20 0 FIADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450112764 1110246719 /nfs/dbraw/zinc/24/67/19/1110246719.db2.gz JKVHKITUUSATDB-HNNXBMFYSA-N -1 3 356.441 4.400 20 0 FIADHM O=C(Nc1ccc2c(c1)CCC1(CCC1)O2)c1c[n-]c2ccccc2c1=O ZINC000529703157 1110308924 /nfs/dbraw/zinc/30/89/24/1110308924.db2.gz VCEBMZCPVUMDPR-UHFFFAOYSA-N -1 3 360.413 4.028 20 0 FIADHM CCc1cccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c1[O-] ZINC000538744514 1111278367 /nfs/dbraw/zinc/27/83/67/1111278367.db2.gz VCMJPFUGIFCPLT-ACJLOTCBSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1cccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c1[O-] ZINC000538744515 1111278539 /nfs/dbraw/zinc/27/85/39/1111278539.db2.gz VCMJPFUGIFCPLT-FZKQIMNGSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1[O-] ZINC000538783244 1111298561 /nfs/dbraw/zinc/29/85/61/1111298561.db2.gz FXNPRTIXTIHDCH-KRWDZBQOSA-N -1 3 350.418 4.463 20 0 FIADHM Cc1cc(C)cc(C2=CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000538809963 1111306371 /nfs/dbraw/zinc/30/63/71/1111306371.db2.gz PJBWDUHPVVPCDB-UHFFFAOYSA-N -1 3 354.425 4.147 20 0 FIADHM Cc1nc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)c(-c2ccccc2)o1 ZINC000448493216 1111410671 /nfs/dbraw/zinc/41/06/71/1111410671.db2.gz UBLMSIOOJVIJDL-UHFFFAOYSA-N -1 3 363.348 4.118 20 0 FIADHM CCC[C@H]1CCc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2C1 ZINC000461983970 1111447127 /nfs/dbraw/zinc/44/71/27/1111447127.db2.gz CRYSYSVMFAQXSD-LBPRGKRZSA-N -1 3 368.462 4.350 20 0 FIADHM [O-]c1ccc(F)c(CN(CCc2ccccc2)Cc2cccnc2)c1F ZINC000552041657 1111554362 /nfs/dbraw/zinc/55/43/62/1111554362.db2.gz DVLATHZXNBZRFT-UHFFFAOYSA-N -1 3 354.400 4.310 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000552393830 1111691906 /nfs/dbraw/zinc/69/19/06/1111691906.db2.gz OCDWSJGTELGLFN-JGVFFNPUSA-N -1 3 352.150 4.072 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3sccc3Cl)s2)cc1 ZINC000552386422 1111695731 /nfs/dbraw/zinc/69/57/31/1111695731.db2.gz NYFPVVMFMROOBY-UHFFFAOYSA-N -1 3 351.840 4.181 20 0 FIADHM O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cc([O-])ccc1Cl ZINC000478315603 1111742414 /nfs/dbraw/zinc/74/24/14/1111742414.db2.gz OQCDOJBCDSFWQO-INIZCTEOSA-N -1 3 357.797 4.026 20 0 FIADHM CCC1(Cc2ccccc2)CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000478320740 1111753921 /nfs/dbraw/zinc/75/39/21/1111753921.db2.gz RGVULGKATFQGQV-UHFFFAOYSA-N -1 3 374.484 4.403 20 0 FIADHM CCc1c(C(=O)Nc2cc(F)ccc2[O-])cnn1-c1ccccc1Cl ZINC000478860486 1111901946 /nfs/dbraw/zinc/90/19/46/1111901946.db2.gz WCEGAZJGOSQWOY-UHFFFAOYSA-N -1 3 359.788 4.185 20 0 FIADHM CCOC1CC2(C1)CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])C2 ZINC000553196887 1111924692 /nfs/dbraw/zinc/92/46/92/1111924692.db2.gz JIPOTMJOFZIEBP-UHFFFAOYSA-N -1 3 367.445 4.216 20 0 FIADHM CCCC1CCC(N(C)C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC000898674549 1112376125 /nfs/dbraw/zinc/37/61/25/1112376125.db2.gz LTRRGZIQVALBIZ-UHFFFAOYSA-N -1 3 362.420 4.237 20 0 FIADHM Cc1cc(=O)[n-]c(CS[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)n1 ZINC000842175556 1112455691 /nfs/dbraw/zinc/45/56/91/1112455691.db2.gz UCOPHMIDHIMFIK-CYBMUJFWSA-N -1 3 356.451 4.152 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](c4ccc(C)cc4C)C3)nc2)n1 ZINC000480557072 1112477133 /nfs/dbraw/zinc/47/71/33/1112477133.db2.gz SDDYEBHBKBUOEE-SFHVURJKSA-N -1 3 374.488 4.417 20 0 FIADHM O=C(N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1)c1ccc(O)cc1[O-] ZINC001142613639 1112587046 /nfs/dbraw/zinc/58/70/46/1112587046.db2.gz YAAYVALMFCTAEJ-IBGZPJMESA-N -1 3 369.367 4.090 20 0 FIADHM CN(C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000899165697 1112640903 /nfs/dbraw/zinc/64/09/03/1112640903.db2.gz QFZDETZXFOIIOA-GUYCJALGSA-N -1 3 362.420 4.093 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-c2ccccc2)[nH]1 ZINC000600006584 1112800479 /nfs/dbraw/zinc/80/04/79/1112800479.db2.gz MRAASYBKIRKYEB-UHFFFAOYSA-N -1 3 357.207 4.402 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N([C@H](C)C(C)C)C3CC3)cc2)cc(=O)[n-]1 ZINC000555970646 1113091809 /nfs/dbraw/zinc/09/18/09/1113091809.db2.gz DHKXOROQYQWEFX-CYBMUJFWSA-N -1 3 354.454 4.198 20 0 FIADHM O=C([O-])c1ccc(OCCN(CCC(F)(F)F)CC2CC2)c(Cl)c1 ZINC000568064564 1113359126 /nfs/dbraw/zinc/35/91/26/1113359126.db2.gz IOBAVOALYQSITP-UHFFFAOYSA-N -1 3 365.779 4.081 20 0 FIADHM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000483012870 1113424502 /nfs/dbraw/zinc/42/45/02/1113424502.db2.gz CZOWULBMBTVKCF-OAQYLSRUSA-N -1 3 359.416 4.183 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3c3ccc(C)cc3)nc2)n1 ZINC000486156042 1113515601 /nfs/dbraw/zinc/51/56/01/1113515601.db2.gz KBFLCEZXSMHETD-IBGZPJMESA-N -1 3 360.461 4.457 20 0 FIADHM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486424753 1113564356 /nfs/dbraw/zinc/56/43/56/1113564356.db2.gz OQHWMHVTCRVZLO-HIFRSBDPSA-N -1 3 369.303 4.265 20 0 FIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000486565114 1113596190 /nfs/dbraw/zinc/59/61/90/1113596190.db2.gz VOVYPLMUYNLAHA-UHFFFAOYSA-N -1 3 374.245 4.005 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1C1CCCC1 ZINC000486623271 1113604816 /nfs/dbraw/zinc/60/48/16/1113604816.db2.gz COPGYBAVSSXFIA-OAHLLOKOSA-N -1 3 367.287 4.019 20 0 FIADHM CCCCCN(C(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000486651934 1113612918 /nfs/dbraw/zinc/61/29/18/1113612918.db2.gz NKLZQTIWYUTBQD-UHFFFAOYSA-N -1 3 357.292 4.265 20 0 FIADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc2c1CN(CC(C)C)C2 ZINC000488423206 1113925717 /nfs/dbraw/zinc/92/57/17/1113925717.db2.gz NFAKBVAAFFPIRS-UHFFFAOYSA-N -1 3 358.507 4.021 20 0 FIADHM CCN(C(=O)c1cccc(CN2CCCCC2)c1)c1cccc(C(=O)[O-])c1 ZINC000910968433 1113927786 /nfs/dbraw/zinc/92/77/86/1113927786.db2.gz PHNQMKBENRPMKO-UHFFFAOYSA-N -1 3 366.461 4.037 20 0 FIADHM CCC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000488686674 1113972821 /nfs/dbraw/zinc/97/28/21/1113972821.db2.gz OLNFGVLYKPICHC-HNNXBMFYSA-N -1 3 362.267 4.355 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000488687597 1113973527 /nfs/dbraw/zinc/97/35/27/1113973527.db2.gz LEAGAVNAOIAMNX-UHFFFAOYSA-N -1 3 374.156 4.104 20 0 FIADHM Cc1c2cccc(C)c2oc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488679652 1113975197 /nfs/dbraw/zinc/97/51/97/1113975197.db2.gz QLNFCPYGQKBUNN-UHFFFAOYSA-N -1 3 374.234 4.448 20 0 FIADHM O=S(=O)([N-]C1(c2ccccc2)CCC1)c1ccc(F)cc1C(F)(F)F ZINC000488858579 1114007702 /nfs/dbraw/zinc/00/77/02/1114007702.db2.gz UKKGCHUKSKCTKN-UHFFFAOYSA-N -1 3 373.371 4.202 20 0 FIADHM CC(C)(C)n1ncc(C(=O)NCc2ccc([O-])c(F)c2)c1-c1ccccc1 ZINC000488963479 1114025573 /nfs/dbraw/zinc/02/55/73/1114025573.db2.gz GCXUYRQOAUVXBA-UHFFFAOYSA-N -1 3 367.424 4.080 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000490296439 1114261211 /nfs/dbraw/zinc/26/12/11/1114261211.db2.gz BBCLAMUFPSJZKI-UHFFFAOYSA-N -1 3 355.409 4.476 20 0 FIADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000913298410 1114322396 /nfs/dbraw/zinc/32/23/96/1114322396.db2.gz KJZTVHFZVCGJSZ-PXRHCINRSA-N -1 3 368.433 4.001 20 0 FIADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000913298410 1114322399 /nfs/dbraw/zinc/32/23/99/1114322399.db2.gz KJZTVHFZVCGJSZ-PXRHCINRSA-N -1 3 368.433 4.001 20 0 FIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1n[nH]c(-c2cccc3ccccc32)n1 ZINC000571156627 1114440692 /nfs/dbraw/zinc/44/06/92/1114440692.db2.gz GIZBSBZYYRSFGL-UHFFFAOYSA-N -1 3 359.389 4.051 20 0 FIADHM CCC(CC)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000588632638 1114588682 /nfs/dbraw/zinc/58/86/82/1114588682.db2.gz QMSPHDOQTVXFPF-UHFFFAOYSA-N -1 3 369.856 4.217 20 0 FIADHM CCC(CC)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000588632638 1114588684 /nfs/dbraw/zinc/58/86/84/1114588684.db2.gz QMSPHDOQTVXFPF-UHFFFAOYSA-N -1 3 369.856 4.217 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000669312270 1114677920 /nfs/dbraw/zinc/67/79/20/1114677920.db2.gz KADIKDSEQCCKDY-CQSZACIVSA-N -1 3 359.516 4.369 20 0 FIADHM CCC(CC)[C@@H](NC(=O)N[N-]C(=O)c1ccccc1F)c1cccs1 ZINC000057267338 1114906385 /nfs/dbraw/zinc/90/63/85/1114906385.db2.gz UNTHUCFRNMMNFZ-MRXNPFEDSA-N -1 3 363.458 4.009 20 0 FIADHM COc1ccccc1-c1cc(=NC(=O)c2occc2-c2ccccc2)[nH][n-]1 ZINC000591449170 1115081001 /nfs/dbraw/zinc/08/10/01/1115081001.db2.gz ODCOZVUCCLYZEW-UHFFFAOYSA-N -1 3 359.385 4.020 20 0 FIADHM CCN(CCc1ccccc1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058205878 1115139590 /nfs/dbraw/zinc/13/95/90/1115139590.db2.gz GUXTUBLKRZINBH-UHFFFAOYSA-N -1 3 358.536 4.115 20 0 FIADHM C[C@@H](CSCCNCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000592460863 1115234378 /nfs/dbraw/zinc/23/43/78/1115234378.db2.gz BRCAZQLNESGDNV-LBPRGKRZSA-N -1 3 353.871 4.144 20 0 FIADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000574337217 1115342911 /nfs/dbraw/zinc/34/29/11/1115342911.db2.gz OTCLYHDQYKRGTC-LBPRGKRZSA-N -1 3 357.479 4.051 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)Cc3cc(C)cc(C)c3)nc2)n1 ZINC000574330130 1115347704 /nfs/dbraw/zinc/34/77/04/1115347704.db2.gz MWYYIAOJDNHXHA-INIZCTEOSA-N -1 3 362.477 4.467 20 0 FIADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000594842666 1115485668 /nfs/dbraw/zinc/48/56/68/1115485668.db2.gz QPRPFBOZMAPUCE-UHFFFAOYSA-N -1 3 350.422 4.367 20 0 FIADHM C[C@H]1COCC[C@@H]1c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000669609289 1115660715 /nfs/dbraw/zinc/66/07/15/1115660715.db2.gz LKUWNQMEIBNWHO-YOEHRIQHSA-N -1 3 366.417 4.161 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)cc1 ZINC000599925989 1115856452 /nfs/dbraw/zinc/85/64/52/1115856452.db2.gz GVXBZYWJXHTSLR-UHFFFAOYSA-N -1 3 369.442 4.172 20 0 FIADHM CCCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000605492499 1115903859 /nfs/dbraw/zinc/90/38/59/1115903859.db2.gz LPKILGZPJYCHJB-UHFFFAOYSA-N -1 3 374.506 4.487 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(C)c1 ZINC000605614973 1115911713 /nfs/dbraw/zinc/91/17/13/1115911713.db2.gz DRGPKCWHNJGLSI-UHFFFAOYSA-N -1 3 357.479 4.343 20 0 FIADHM O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccc([O-])c(F)c1 ZINC000606537055 1115953900 /nfs/dbraw/zinc/95/39/00/1115953900.db2.gz BMLCHFOUJSKSKV-UHFFFAOYSA-N -1 3 372.223 4.314 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000606537555 1115953968 /nfs/dbraw/zinc/95/39/68/1115953968.db2.gz PWIANQMVOSMEOC-UHFFFAOYSA-N -1 3 351.377 4.040 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NCC(c1ccccc1)c1ccccc1 ZINC000606624187 1115959972 /nfs/dbraw/zinc/95/99/72/1115959972.db2.gz ZDQNWCVINUUJII-UHFFFAOYSA-N -1 3 364.420 4.163 20 0 FIADHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(Sc2ccccc2)c1 ZINC000607103479 1115998543 /nfs/dbraw/zinc/99/85/43/1115998543.db2.gz CODJGIIFVIAJKS-INIZCTEOSA-N -1 3 363.504 4.149 20 0 FIADHM CCC[C@H]1[C@H](C)CCCN1Cn1c(Cc2cccs2)n[n-]c1=S ZINC000173385936 1116055946 /nfs/dbraw/zinc/05/59/46/1116055946.db2.gz VXWDACPAKZYPPX-HIFRSBDPSA-N -1 3 350.557 4.451 20 0 FIADHM CCC[C@H]1[C@@H](C)CCCN1Cn1c(Cc2cccs2)n[n-]c1=S ZINC000173385961 1116056080 /nfs/dbraw/zinc/05/60/80/1116056080.db2.gz VXWDACPAKZYPPX-ZFWWWQNUSA-N -1 3 350.557 4.451 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1 ZINC000609015965 1116140601 /nfs/dbraw/zinc/14/06/01/1116140601.db2.gz PKMCKKAUGCPYJW-UHFFFAOYSA-N -1 3 365.520 4.182 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000456381255 1116182858 /nfs/dbraw/zinc/18/28/58/1116182858.db2.gz NTYJDVIPMRSXDG-SFHVURJKSA-N -1 3 372.852 4.371 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1F ZINC000508837485 1116233525 /nfs/dbraw/zinc/23/35/25/1116233525.db2.gz AMDVKJHPYWKMGW-INIZCTEOSA-N -1 3 373.321 4.263 20 0 FIADHM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000535439265 1116307158 /nfs/dbraw/zinc/30/71/58/1116307158.db2.gz BVYGCTCGBOOXEK-UHFFFAOYSA-N -1 3 351.859 4.242 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)c3ccsc3)cc2)cc(=O)[n-]1 ZINC000669835022 1116359887 /nfs/dbraw/zinc/35/98/87/1116359887.db2.gz HKNVJQXVWJLSJF-LLVKDONJSA-N -1 3 354.435 4.102 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c1 ZINC000539844673 1116389828 /nfs/dbraw/zinc/38/98/28/1116389828.db2.gz UWAWMCRBSPNAGV-UHFFFAOYSA-N -1 3 350.422 4.115 20 0 FIADHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000462707226 1116394471 /nfs/dbraw/zinc/39/44/71/1116394471.db2.gz VDWKKFOOIPFBAF-JTQLQIEISA-N -1 3 362.278 4.194 20 0 FIADHM CCc1cccc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1[O-] ZINC000539916578 1117751352 /nfs/dbraw/zinc/75/13/52/1117751352.db2.gz MJTMKRHBKOUVRX-IBGZPJMESA-N -1 3 350.393 4.008 20 0 FIADHM C[C@H](c1ccccc1)N1CCC(N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000462841588 1117799677 /nfs/dbraw/zinc/79/96/77/1117799677.db2.gz PUHPDCKTNYLQHC-MRXNPFEDSA-N -1 3 364.518 4.265 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cc(F)c(Cl)cc2Cl)o1 ZINC000540204430 1117933271 /nfs/dbraw/zinc/93/32/71/1117933271.db2.gz CRDPYLHIDTWCNP-MRVPVSSYSA-N -1 3 352.214 4.073 20 0 FIADHM Cc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)nn1C1CCCCC1 ZINC000540690677 1118188986 /nfs/dbraw/zinc/18/89/86/1118188986.db2.gz ZMAFTXJDUWKMKF-UHFFFAOYSA-N -1 3 363.465 4.069 20 0 FIADHM O=c1[n-]c(COc2cccc(C(F)(F)F)n2)nc2c3ccccc3oc21 ZINC000540730637 1118219321 /nfs/dbraw/zinc/21/93/21/1118219321.db2.gz PNCAOEZRLNNDPS-UHFFFAOYSA-N -1 3 361.279 4.074 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1[O-] ZINC000302986059 1118743043 /nfs/dbraw/zinc/74/30/43/1118743043.db2.gz VDKWBDKYYSFCKG-UHFFFAOYSA-N -1 3 352.415 4.267 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)cc(Cl)c3)c2)n1 ZINC000464929717 1118753416 /nfs/dbraw/zinc/75/34/16/1118753416.db2.gz NJWZXWRXSRVSAS-UHFFFAOYSA-N -1 3 371.799 4.456 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000465183272 1118870859 /nfs/dbraw/zinc/87/08/59/1118870859.db2.gz KLWSSLZSPIMWCC-LJQANCHMSA-N -1 3 360.404 4.401 20 0 FIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cc(C)c(F)cc3Cl)c2)n1 ZINC000151631317 1118950357 /nfs/dbraw/zinc/95/03/57/1118950357.db2.gz HMMOWJRUHMSDLD-UHFFFAOYSA-N -1 3 372.783 4.065 20 0 FIADHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cccc(F)c1F ZINC000173225302 1119025705 /nfs/dbraw/zinc/02/57/05/1119025705.db2.gz AMHOORUPZINEQH-UHFFFAOYSA-N -1 3 365.792 4.313 20 0 FIADHM COc1ccc(F)cc1[C@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646687549 1119058713 /nfs/dbraw/zinc/05/87/13/1119058713.db2.gz PAZNLICVSSUCGK-VIFPVBQESA-N -1 3 357.303 4.050 20 0 FIADHM Cc1nc2c(cccc2[N-]C(=O)c2cc(-c3c(F)cccc3F)no2)o1 ZINC001272492031 1119095315 /nfs/dbraw/zinc/09/53/15/1119095315.db2.gz JITVUJOOMCOVBG-UHFFFAOYSA-N -1 3 355.300 4.322 20 0 FIADHM COc1cc(Cl)c(Cl)cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000175495871 1119209583 /nfs/dbraw/zinc/20/95/83/1119209583.db2.gz DZOSHRRLQGIMCX-UHFFFAOYSA-N -1 3 372.155 4.125 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3scnc3C(C)(C)C)s2)cc1 ZINC000176793812 1119294493 /nfs/dbraw/zinc/29/44/93/1119294493.db2.gz FXJFWNBYRLDHMA-UHFFFAOYSA-N -1 3 372.519 4.444 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c(C)c1 ZINC000178224930 1119378741 /nfs/dbraw/zinc/37/87/41/1119378741.db2.gz XKSVMJCASRTICV-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000494378761 1119846312 /nfs/dbraw/zinc/84/63/12/1119846312.db2.gz SWUKWFXJJRQESL-MRVPVSSYSA-N -1 3 364.216 4.393 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1CN(CCC(C)C)C2 ZINC000494499806 1119880773 /nfs/dbraw/zinc/88/07/73/1119880773.db2.gz AMGIJPVZLXEGOD-UHFFFAOYSA-N -1 3 358.507 4.158 20 0 FIADHM COc1cc(C(=O)[N-]c2ccc(O)cc2SC)sc1Br ZINC000191185590 1119964200 /nfs/dbraw/zinc/96/42/00/1119964200.db2.gz LPIMCGAWNUVFOY-UHFFFAOYSA-N -1 3 374.281 4.199 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c(C)c1 ZINC000494602448 1119988067 /nfs/dbraw/zinc/98/80/67/1119988067.db2.gz ORAODVDYYBEYRE-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000053446142 1120538279 /nfs/dbraw/zinc/53/82/79/1120538279.db2.gz PXTMIMHVSKXLGX-SFHVURJKSA-N -1 3 352.821 4.159 20 0 FIADHM FC(F)(F)c1nc([N-][C@H](c2ccccn2)C(F)(F)F)ncc1Cl ZINC001168480602 1120540972 /nfs/dbraw/zinc/54/09/72/1120540972.db2.gz YKWNTKCKZNTPEE-SECBINFHSA-N -1 3 356.657 4.259 20 0 FIADHM O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000053457049 1120561396 /nfs/dbraw/zinc/56/13/96/1120561396.db2.gz MDZYEEZRSFRRSI-QFIPXVFZSA-N -1 3 372.399 4.187 20 0 FIADHM CCC[C@@H](NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000914890410 1120628723 /nfs/dbraw/zinc/62/87/23/1120628723.db2.gz FLOAOXGNOMNMMQ-CZUORRHYSA-N -1 3 370.474 4.432 20 0 FIADHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000914890446 1120628844 /nfs/dbraw/zinc/62/88/44/1120628844.db2.gz GKFAUYBXCWWWLL-CHWSQXEVSA-N -1 3 370.474 4.215 20 0 FIADHM CC(C)[C@H](NC(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccc(F)cc1 ZINC000914891505 1120629504 /nfs/dbraw/zinc/62/95/04/1120629504.db2.gz RCWIKQINKYMUKT-KRWDZBQOSA-N -1 3 374.437 4.039 20 0 FIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000914892155 1120629806 /nfs/dbraw/zinc/62/98/06/1120629806.db2.gz SFXGKYMUYCXLCK-INWMFGNUSA-N -1 3 362.495 4.106 20 0 FIADHM COc1ccc(NC(=O)c2cccc(C)c2[O-])cc1NC(=O)OC(C)(C)C ZINC000915078849 1120785810 /nfs/dbraw/zinc/78/58/10/1120785810.db2.gz HMVWBNNNXZSFRR-UHFFFAOYSA-N -1 3 372.421 4.309 20 0 FIADHM COc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1NC(=O)OC(C)(C)C ZINC000915165239 1120849812 /nfs/dbraw/zinc/84/98/12/1120849812.db2.gz ARXLGRJMBIKQFG-UHFFFAOYSA-N -1 3 372.421 4.309 20 0 FIADHM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc([O-])c2F)ccc1F ZINC000762317968 1120868440 /nfs/dbraw/zinc/86/84/40/1120868440.db2.gz GASCTWAUVHAVKB-UHFFFAOYSA-N -1 3 364.348 4.270 20 0 FIADHM Cc1nc2c(s1)[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)CCC2 ZINC001127367923 1120949944 /nfs/dbraw/zinc/94/99/44/1120949944.db2.gz WTHVMCGVHYCWMV-GFCCVEGCSA-N -1 3 371.840 4.094 20 0 FIADHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccc1C(=O)NC(C)C ZINC000472103320 1121181281 /nfs/dbraw/zinc/18/12/81/1121181281.db2.gz CWLBDWNLMUTEOD-UHFFFAOYSA-N -1 3 362.429 4.244 20 0 FIADHM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc([O-])c2ccccc2c1 ZINC000472264408 1121203782 /nfs/dbraw/zinc/20/37/82/1121203782.db2.gz XUERCICFXGNWFU-QGZVFWFLSA-N -1 3 366.848 4.208 20 0 FIADHM C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472324389 1121215767 /nfs/dbraw/zinc/21/57/67/1121215767.db2.gz HXMIOYRZZFIUPR-ZDUSSCGKSA-N -1 3 351.377 4.076 20 0 FIADHM COc1cccc(-c2nc(CSCc3nc(C)cc(=O)[n-]3)cs2)c1 ZINC000763208006 1121276966 /nfs/dbraw/zinc/27/69/66/1121276966.db2.gz GGQDPJJHXUNSHM-UHFFFAOYSA-N -1 3 359.476 4.056 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000063911023 1121593194 /nfs/dbraw/zinc/59/31/94/1121593194.db2.gz HTSWBSYYWWYVPV-UHFFFAOYSA-N -1 3 363.332 4.044 20 0 FIADHM O=S(=O)([N-]c1ccc(OCc2ccccc2F)cc1)c1ccccc1 ZINC000064478397 1121615921 /nfs/dbraw/zinc/61/59/21/1121615921.db2.gz PHTCLEQIAJUIJQ-UHFFFAOYSA-N -1 3 357.406 4.206 20 0 FIADHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000123770615 1121629605 /nfs/dbraw/zinc/62/96/05/1121629605.db2.gz GZTOXBXZSRUWNQ-UHFFFAOYSA-N -1 3 360.660 4.212 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000065079883 1121654046 /nfs/dbraw/zinc/65/40/46/1121654046.db2.gz VCEDRJFOUMSPDZ-UHFFFAOYSA-N -1 3 354.431 4.237 20 0 FIADHM O=C(N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)c1c([O-])cccc1O ZINC001649102005 1121797795 /nfs/dbraw/zinc/79/77/95/1121797795.db2.gz WBQUXCAPHBXYAV-UZLBHIALSA-N -1 3 361.397 4.093 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)C=C(C)c3cccc(Cl)c3)nc21 ZINC001127418004 1121828141 /nfs/dbraw/zinc/82/81/41/1121828141.db2.gz DUFQAEVBJGLFRX-PKNBQFBNSA-N -1 3 369.808 4.045 20 0 FIADHM C[C@@H](NCc1ccc(Cl)cn1)c1cc(Br)cc(F)c1[O-] ZINC000186229994 1121969754 /nfs/dbraw/zinc/96/97/54/1121969754.db2.gz FZMMMKUWPFTGJY-MRVPVSSYSA-N -1 3 359.626 4.193 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1SCCc2ccccc21 ZINC000126654170 1121973988 /nfs/dbraw/zinc/97/39/88/1121973988.db2.gz CCXCKPNSKGUCKB-HNNXBMFYSA-N -1 3 364.264 4.124 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1SCCc2sccc21 ZINC000126672754 1121975106 /nfs/dbraw/zinc/97/51/06/1121975106.db2.gz MVKGXCSMDRLKOH-CYBMUJFWSA-N -1 3 370.293 4.185 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C4CC4)[nH]c3C3CC3)cc2)n1 ZINC000624621502 1122066859 /nfs/dbraw/zinc/06/68/59/1122066859.db2.gz BLNTUSGQSBZORO-UHFFFAOYSA-N -1 3 374.444 4.081 20 0 FIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1C ZINC000624684079 1122100307 /nfs/dbraw/zinc/10/03/07/1122100307.db2.gz YVRAFKNIWQNJRM-INIZCTEOSA-N -1 3 366.461 4.276 20 0 FIADHM O=c1nc(COc2ccccc2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000054752069 1122196310 /nfs/dbraw/zinc/19/63/10/1122196310.db2.gz OODJXNDCIPERRK-UHFFFAOYSA-N -1 3 352.390 4.370 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1NC(=O)c1ccccc1 ZINC000128236078 1122208355 /nfs/dbraw/zinc/20/83/55/1122208355.db2.gz MCLUGRWZTIOWRR-UHFFFAOYSA-N -1 3 364.376 4.344 20 0 FIADHM CC(C)(c1nnc([N-]C(=O)c2cccc(F)c2F)s1)c1ccccc1 ZINC000106685973 1122234667 /nfs/dbraw/zinc/23/46/67/1122234667.db2.gz UPJPZHHQQXSYHR-UHFFFAOYSA-N -1 3 359.401 4.395 20 0 FIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(NC(=O)C3CC3)ccc2C)c(C)c1 ZINC000055595534 1122256410 /nfs/dbraw/zinc/25/64/10/1122256410.db2.gz RFBHGXXMZWBRHE-UHFFFAOYSA-N -1 3 372.490 4.070 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2C)cc1 ZINC000055674358 1122260712 /nfs/dbraw/zinc/26/07/12/1122260712.db2.gz ZKSBRJIQXHKEHZ-UHFFFAOYSA-N -1 3 360.479 4.015 20 0 FIADHM CCOc1cc2c(cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1)O[C@@H](C)C2 ZINC000917734414 1122421115 /nfs/dbraw/zinc/42/11/15/1122421115.db2.gz SDXIEXNTEAJRPY-KVPUOBJLSA-N -1 3 373.474 4.130 20 0 FIADHM CCCn1c(C)c(C(=O)Nc2cccc([O-])c2F)c2cc(OC)ccc21 ZINC000129044413 1122511094 /nfs/dbraw/zinc/51/10/94/1122511094.db2.gz GKRQMCBZPRFXLU-UHFFFAOYSA-N -1 3 356.397 4.465 20 0 FIADHM O=C(CCSc1ccc(Br)cc1)Nc1cccc([O-])c1F ZINC000129109441 1122534732 /nfs/dbraw/zinc/53/47/32/1122534732.db2.gz LKSPZNCZDIMJOA-UHFFFAOYSA-N -1 3 370.243 4.415 20 0 FIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000918162861 1122578427 /nfs/dbraw/zinc/57/84/27/1122578427.db2.gz FLUIVQYNQCROPX-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM CC(C)c1nnc([N-]C(=O)c2csc(Cc3ccc(F)cc3)n2)s1 ZINC000170701715 1122579379 /nfs/dbraw/zinc/57/93/79/1122579379.db2.gz KLUKXASEOMWBAA-UHFFFAOYSA-N -1 3 362.455 4.100 20 0 FIADHM O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc(Cl)ccc1[O-] ZINC000129454839 1122605957 /nfs/dbraw/zinc/60/59/57/1122605957.db2.gz DDLPTUQDLDBLEL-UHFFFAOYSA-N -1 3 362.813 4.489 20 0 FIADHM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccc([O-])c1F ZINC000129474866 1122610025 /nfs/dbraw/zinc/61/00/25/1122610025.db2.gz KVCKUFYMCNNESA-UHFFFAOYSA-N -1 3 355.365 4.174 20 0 FIADHM CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129755005 1122694651 /nfs/dbraw/zinc/69/46/51/1122694651.db2.gz HDKOTFZEJQKBOB-UHFFFAOYSA-N -1 3 358.413 4.087 20 0 FIADHM O=C([O-])[C@@]1(NCc2cc(Cl)cc3cccnc32)CCc2c1cccc2F ZINC000556320796 1122802037 /nfs/dbraw/zinc/80/20/37/1122802037.db2.gz DLWOYJYCOXJXAO-HXUWFJFHSA-N -1 3 370.811 4.043 20 0 FIADHM Cn1c(COC(=O)c2cc(Cl)c(Cl)[n-]2)nc2cc(Cl)ccc21 ZINC000919045872 1122875037 /nfs/dbraw/zinc/87/50/37/1122875037.db2.gz DGUZBUJONFBBRH-UHFFFAOYSA-N -1 3 358.612 4.219 20 0 FIADHM O=C(Nc1ccccc1C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000174878972 1122962302 /nfs/dbraw/zinc/96/23/02/1122962302.db2.gz GVNJBQJPHNXXNH-UHFFFAOYSA-N -1 3 350.349 4.036 20 0 FIADHM O=C([N-]c1nc(-c2cccs2)ns1)c1c(F)ccc2ccncc21 ZINC001127494032 1123011590 /nfs/dbraw/zinc/01/15/90/1123011590.db2.gz ZTEPAJVNWYBNAA-UHFFFAOYSA-N -1 3 356.407 4.206 20 0 FIADHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)[N-]OCCC(F)(F)F ZINC000155044234 1123073052 /nfs/dbraw/zinc/07/30/52/1123073052.db2.gz IXXUAEOMHVEFKO-UHFFFAOYSA-N -1 3 365.351 4.317 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2NCC2CCCCC2)[n-]1 ZINC000498916093 1123075342 /nfs/dbraw/zinc/07/53/42/1123075342.db2.gz PLHIWSQBDDJHJQ-UHFFFAOYSA-N -1 3 355.438 4.046 20 0 FIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000556830663 1123120499 /nfs/dbraw/zinc/12/04/99/1123120499.db2.gz MKBNUXPOKOVHKG-UHFFFAOYSA-N -1 3 360.826 4.285 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1[O-] ZINC000919770079 1123129566 /nfs/dbraw/zinc/12/95/66/1123129566.db2.gz DYELEDVLDXYZBA-UHFFFAOYSA-N -1 3 360.841 4.297 20 0 FIADHM Cc1onc(-c2ccccn2)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000132252914 1123235470 /nfs/dbraw/zinc/23/54/70/1123235470.db2.gz GZIZSXSUEFHUMD-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)c1cc([O-])ccc1Cl ZINC000556950793 1123268376 /nfs/dbraw/zinc/26/83/76/1123268376.db2.gz RUTHNQZGBDATAZ-DLBZAZTESA-N -1 3 367.779 4.054 20 0 FIADHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000174898158 1123441699 /nfs/dbraw/zinc/44/16/99/1123441699.db2.gz VICQQZQPUMVVPC-UHFFFAOYSA-N -1 3 373.815 4.299 20 0 FIADHM CC(C)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](c1ccccc1)CC3 ZINC000075078622 1123447667 /nfs/dbraw/zinc/44/76/67/1123447667.db2.gz LVFVFELRWMPEPO-CQSZACIVSA-N -1 3 354.475 4.182 20 0 FIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1 ZINC000075081521 1123448566 /nfs/dbraw/zinc/44/85/66/1123448566.db2.gz ZYZKUUUXXHBJJG-UHFFFAOYSA-N -1 3 374.506 4.442 20 0 FIADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000920845068 1123528634 /nfs/dbraw/zinc/52/86/34/1123528634.db2.gz MHWBYYHCUPLSNI-SNVBAGLBSA-N -1 3 359.294 4.396 20 0 FIADHM O=C([N-]Cc1ccc(OC(F)F)cc1)C(F)(F)c1cccc(Cl)c1 ZINC000921001026 1123546239 /nfs/dbraw/zinc/54/62/39/1123546239.db2.gz MICDLRIDSMURAQ-UHFFFAOYSA-N -1 3 361.722 4.350 20 0 FIADHM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1ccc2ccccc2c1 ZINC000135512458 1123769054 /nfs/dbraw/zinc/76/90/54/1123769054.db2.gz MROFUSKFHDLRGK-UHFFFAOYSA-N -1 3 373.384 4.455 20 0 FIADHM Cc1cc(F)c(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCC2)cc1F ZINC001212281021 1124277855 /nfs/dbraw/zinc/27/78/55/1124277855.db2.gz XQVRLBRHQJSENT-UHFFFAOYSA-N -1 3 371.836 4.284 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NC1CCC(c2ccc(F)cc2)CC1 ZINC000542859832 1124509097 /nfs/dbraw/zinc/50/90/97/1124509097.db2.gz REESMZSEYDBRAC-UHFFFAOYSA-N -1 3 360.404 4.196 20 0 FIADHM CCOC(=O)C(=Cc1ccc(C)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057815180 1124531183 /nfs/dbraw/zinc/53/11/83/1124531183.db2.gz IHJHDHFRLHNUBC-XNTDXEJSSA-N -1 3 368.458 4.014 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn(-c2ccccc2)c1C1CC1 ZINC000109091707 1124531274 /nfs/dbraw/zinc/53/12/74/1124531274.db2.gz HUHNJNHWOQWCEL-UHFFFAOYSA-N -1 3 353.809 4.361 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)c3cccc4ccccc43)c[n-]c12 ZINC000672120783 1124731286 /nfs/dbraw/zinc/73/12/86/1124731286.db2.gz VLNAGIKQISRGSL-UHFFFAOYSA-N -1 3 360.388 4.405 20 0 FIADHM CCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1cccc(C)c1C ZINC000672120721 1124731492 /nfs/dbraw/zinc/73/14/92/1124731492.db2.gz OCJOEWJEIDKHAP-UHFFFAOYSA-N -1 3 352.409 4.259 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ncoc1-c1ccccc1 ZINC000112042406 1124956412 /nfs/dbraw/zinc/95/64/12/1124956412.db2.gz LHJFGQCURNZALE-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1ccccc1Cl ZINC000056127990 1125180960 /nfs/dbraw/zinc/18/09/60/1125180960.db2.gz HUOMGFNOTRJHGE-ZDUSSCGKSA-N -1 3 363.788 4.312 20 0 FIADHM [O-]c1c(F)cc(F)cc1Nc1ccnn1-c1ccccc1Br ZINC001212481715 1125310916 /nfs/dbraw/zinc/31/09/16/1125310916.db2.gz FZCVSPVMWQVJSA-UHFFFAOYSA-N -1 3 366.165 4.362 20 0 FIADHM CCOc1cc(-c2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)ccc1[O-] ZINC000017309247 220213559 /nfs/dbraw/zinc/21/35/59/220213559.db2.gz GHKVAHBSSGSVEO-UHFFFAOYSA-N -1 3 364.426 4.423 20 0 FIADHM Cc1ccc([O-])c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000017960082 220219912 /nfs/dbraw/zinc/21/99/12/220219912.db2.gz GVLKYPVYLZIWBH-UHFFFAOYSA-N -1 3 352.459 4.330 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000063911338 221145147 /nfs/dbraw/zinc/14/51/47/221145147.db2.gz UJBMYJRFKAIGGQ-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000104042316 222349226 /nfs/dbraw/zinc/34/92/26/222349226.db2.gz HYMBQDPBHRZAGV-JTQLQIEISA-N -1 3 368.724 4.350 20 0 FIADHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ccc(C(F)F)o1 ZINC000602248276 567959464 /nfs/dbraw/zinc/95/94/64/567959464.db2.gz YAIBEJXFSZJIDN-UHFFFAOYSA-N -1 3 371.361 4.219 20 0 FIADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000521415218 567960176 /nfs/dbraw/zinc/96/01/76/567960176.db2.gz OEULLKKLSMYYBX-UHFFFAOYSA-N -1 3 371.714 4.438 20 0 FIADHM CCOCCC1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCC1 ZINC000186624259 567960626 /nfs/dbraw/zinc/96/06/26/567960626.db2.gz GQEJFRQQBIDBTJ-UHFFFAOYSA-N -1 3 367.902 4.118 20 0 FIADHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000162357099 568003704 /nfs/dbraw/zinc/00/37/04/568003704.db2.gz HZFPYBZOLFOASE-UHFFFAOYSA-N -1 3 365.286 4.455 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccnc(SCC(F)(F)F)c1 ZINC000602942141 568021958 /nfs/dbraw/zinc/02/19/58/568021958.db2.gz WWRMIUSNMOJXQV-UHFFFAOYSA-N -1 3 362.760 4.347 20 0 FIADHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC000604114291 568215085 /nfs/dbraw/zinc/21/50/85/568215085.db2.gz URPLCGHWYAQFHH-UHFFFAOYSA-N -1 3 374.393 4.280 20 0 FIADHM Cc1cc(Br)oc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000408267639 568238500 /nfs/dbraw/zinc/23/85/00/568238500.db2.gz CQFMVFIQOYCEBO-SECBINFHSA-N -1 3 350.212 4.210 20 0 FIADHM Cc1cc(Br)oc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000408267640 568238505 /nfs/dbraw/zinc/23/85/05/568238505.db2.gz CQFMVFIQOYCEBO-VIFPVBQESA-N -1 3 350.212 4.210 20 0 FIADHM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000604266845 568241411 /nfs/dbraw/zinc/24/14/11/568241411.db2.gz YQNVAEYAOFTSBG-INIZCTEOSA-N -1 3 363.461 4.343 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000563127295 568262707 /nfs/dbraw/zinc/26/27/07/568262707.db2.gz XLRLBALDOIVHCL-LSDHHAIUSA-N -1 3 350.245 4.294 20 0 FIADHM CC(C)Cc1ccc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000604933064 568395265 /nfs/dbraw/zinc/39/52/65/568395265.db2.gz UUSRZZHOMAFUKU-UHFFFAOYSA-N -1 3 352.463 4.040 20 0 FIADHM CC(C)(C)c1ccc(C(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000604932962 568395310 /nfs/dbraw/zinc/39/53/10/568395310.db2.gz HKRSKZVDJRURJY-UHFFFAOYSA-N -1 3 352.463 4.139 20 0 FIADHM CCCC[C@@H](CC)CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000604974794 568474843 /nfs/dbraw/zinc/47/48/43/568474843.db2.gz NHTZYOGPDSTOBC-CQSZACIVSA-N -1 3 370.515 4.002 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(Cl)c1Cl ZINC000605164223 568592848 /nfs/dbraw/zinc/59/28/48/568592848.db2.gz QQFOIBLVGPLAQU-MRVPVSSYSA-N -1 3 366.216 4.311 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CSc3ccccc32)c1Cl ZINC000605164218 568592886 /nfs/dbraw/zinc/59/28/86/568592886.db2.gz QHRKQIPRTVCCJI-LBPRGKRZSA-N -1 3 374.314 4.427 20 0 FIADHM Cc1cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc(C(F)(F)F)c1 ZINC000683137801 1079660837 /nfs/dbraw/zinc/66/08/37/1079660837.db2.gz DBRRTWFOSRVSBS-UHFFFAOYSA-N -1 3 367.371 4.368 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1 ZINC000471123229 1079738889 /nfs/dbraw/zinc/73/88/89/1079738889.db2.gz DJRURZHBOATZDG-UHFFFAOYSA-N -1 3 359.369 4.213 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000683171817 1079799279 /nfs/dbraw/zinc/79/92/79/1079799279.db2.gz QCFHJURTWZVWBY-INIZCTEOSA-N -1 3 354.233 4.308 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000683172745 1079808359 /nfs/dbraw/zinc/80/83/59/1079808359.db2.gz CROSMZRYJUCECC-CQSZACIVSA-N -1 3 354.631 4.018 20 0 FIADHM O=C([N-]c1nc(-c2ccsc2)ns1)c1cc(Br)cs1 ZINC000109110319 1080047735 /nfs/dbraw/zinc/04/77/35/1080047735.db2.gz ULMBWXRXZLOJSR-UHFFFAOYSA-N -1 3 372.294 4.343 20 0 FIADHM COc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3[O-])cs2)cc1 ZINC000109128156 1080079895 /nfs/dbraw/zinc/07/98/95/1080079895.db2.gz RAQFZECFJKSREJ-UHFFFAOYSA-N -1 3 360.822 4.430 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)c(F)cc1Br ZINC000123505555 1080258794 /nfs/dbraw/zinc/25/87/94/1080258794.db2.gz DEWVMNFHEGJMMU-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1cc2ccccc2cc1OC(F)F ZINC000535632601 1080571412 /nfs/dbraw/zinc/57/14/12/1080571412.db2.gz WDWIIGUUDYDLIM-UHFFFAOYSA-N -1 3 361.319 4.216 20 0 FIADHM [O-]c1ccccc1-c1nc(CSc2ccccc2Br)no1 ZINC000109479157 1080574408 /nfs/dbraw/zinc/57/44/08/1080574408.db2.gz BDWKZVPVJIBBHW-UHFFFAOYSA-N -1 3 363.236 4.497 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000153666661 1080715302 /nfs/dbraw/zinc/71/53/02/1080715302.db2.gz IVBXLKXARBEEHC-UHFFFAOYSA-N -1 3 355.781 4.225 20 0 FIADHM Cc1cccc(COc2cccc(NC([O-])=NO[C@@H]3CCCCO3)c2)c1 ZINC000160280412 1080798235 /nfs/dbraw/zinc/79/82/35/1080798235.db2.gz GYXPXAPRMMXJQU-LJQANCHMSA-N -1 3 356.422 4.154 20 0 FIADHM Cc1cccc(COc2cccc(NC(=O)[N-]O[C@@H]3CCCCO3)c2)c1 ZINC000160280412 1080798238 /nfs/dbraw/zinc/79/82/38/1080798238.db2.gz GYXPXAPRMMXJQU-LJQANCHMSA-N -1 3 356.422 4.154 20 0 FIADHM Cc1cccc(COc2cccc(NC([O-])=NO[C@H]3CCCCO3)c2)c1 ZINC000160280569 1080798441 /nfs/dbraw/zinc/79/84/41/1080798441.db2.gz GYXPXAPRMMXJQU-IBGZPJMESA-N -1 3 356.422 4.154 20 0 FIADHM Cc1cccc(COc2cccc(NC(=O)[N-]O[C@H]3CCCCO3)c2)c1 ZINC000160280569 1080798450 /nfs/dbraw/zinc/79/84/50/1080798450.db2.gz GYXPXAPRMMXJQU-IBGZPJMESA-N -1 3 356.422 4.154 20 0 FIADHM Cc1cccc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)n1 ZINC000430408936 1080930902 /nfs/dbraw/zinc/93/09/02/1080930902.db2.gz LXKDZYKDQLGINI-UHFFFAOYSA-N -1 3 371.396 4.276 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3C[C@H](c4ccccc4F)C3)nc2)n1 ZINC000579909920 1080970775 /nfs/dbraw/zinc/97/07/75/1080970775.db2.gz JPWZOOMDACBVPC-KOMQPUFPSA-N -1 3 364.424 4.304 20 0 FIADHM O=C([O-])CCCCN1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655934129 1081359800 /nfs/dbraw/zinc/35/98/00/1081359800.db2.gz QBLVEUGLRJPHIR-UHFFFAOYSA-N -1 3 365.688 4.024 20 0 FIADHM Cc1cccc(-n2cc(C(=O)[N-]c3c(F)cc(Cl)c(C)c3F)nn2)c1 ZINC000535639207 1081362180 /nfs/dbraw/zinc/36/21/80/1081362180.db2.gz FTKKLHLHHVUHQJ-UHFFFAOYSA-N -1 3 362.767 4.068 20 0 FIADHM Cc1ncn(CCCCc2noc(-c3cc4ccccc4cc3[O-])n2)c1C ZINC000656037972 1081487498 /nfs/dbraw/zinc/48/74/98/1081487498.db2.gz PJESAZOTYVAIBR-UHFFFAOYSA-N -1 3 362.433 4.432 20 0 FIADHM Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](CO)c1cccc(Cl)c1Cl ZINC001167345357 1081526892 /nfs/dbraw/zinc/52/68/92/1081526892.db2.gz HHWSQUABWZESGG-AWEZNQCLSA-N -1 3 374.214 4.243 20 0 FIADHM CC(C)(c1nnc(NC(=O)c2cc([O-])ccc2Cl)s1)c1ccccc1 ZINC000580136912 1081709518 /nfs/dbraw/zinc/70/95/18/1081709518.db2.gz TYEPDKVSQSYYMS-UHFFFAOYSA-N -1 3 373.865 4.475 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CCc2sc(Cl)cc21 ZINC000580399180 1081924361 /nfs/dbraw/zinc/92/43/61/1081924361.db2.gz HPALHGNKWOHGLJ-ZDUSSCGKSA-N -1 3 353.846 4.373 20 0 FIADHM Cc1ccc(C)c(C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c1 ZINC000891289558 1081979995 /nfs/dbraw/zinc/97/99/95/1081979995.db2.gz GJSGZOOVHBRJNU-UHFFFAOYSA-N -1 3 360.457 4.165 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2cccc(C)c2C)c1 ZINC000122891243 1082019021 /nfs/dbraw/zinc/01/90/21/1082019021.db2.gz OEWWMAWHKZUVHB-HXUWFJFHSA-N -1 3 366.461 4.335 20 0 FIADHM Cc1c(CSC(C)C)cccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000580904710 1082214988 /nfs/dbraw/zinc/21/49/88/1082214988.db2.gz VXCXOTAJFLDRAY-UHFFFAOYSA-N -1 3 358.442 4.299 20 0 FIADHM Cc1ccc(Cc2nnc(NC(=O)c3cc([O-])ccc3Cl)s2)cc1 ZINC000580923010 1082226854 /nfs/dbraw/zinc/22/68/54/1082226854.db2.gz BSSUFIJOPQCFKU-UHFFFAOYSA-N -1 3 359.838 4.049 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000581198972 1082368364 /nfs/dbraw/zinc/36/83/64/1082368364.db2.gz CABRSTPOUUJIBV-INIZCTEOSA-N -1 3 357.841 4.080 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccc(Oc2ccccc2Cl)cc1 ZINC000684351221 1082729728 /nfs/dbraw/zinc/72/97/28/1082729728.db2.gz XFZFFHCOZLNYJI-UHFFFAOYSA-N -1 3 354.793 4.163 20 0 FIADHM O=C([O-])c1nc(-c2ccccc2)oc1CN1CCC(c2ccco2)CC1 ZINC000656757504 1082751371 /nfs/dbraw/zinc/75/13/71/1082751371.db2.gz PKVQRGAINMHUMH-UHFFFAOYSA-N -1 3 352.390 4.012 20 0 FIADHM Cc1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)cs2)o1 ZINC000656769178 1082761611 /nfs/dbraw/zinc/76/16/11/1082761611.db2.gz YSPSORCWIXMYEC-OWCLPIDISA-N -1 3 360.479 4.177 20 0 FIADHM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656770120 1082762184 /nfs/dbraw/zinc/76/21/84/1082762184.db2.gz XYDGAEFVUIWNPF-DQYPLSBCSA-N -1 3 372.292 4.400 20 0 FIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CC[C@@H](C)c3ccccc3)c2)n1 ZINC000160982945 1082768454 /nfs/dbraw/zinc/76/84/54/1082768454.db2.gz UQZAOUUSJDCUFD-OAHLLOKOSA-N -1 3 362.429 4.235 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000471739244 1082936306 /nfs/dbraw/zinc/93/63/06/1082936306.db2.gz UGCYDKZJNXGURE-QGZVFWFLSA-N -1 3 373.865 4.091 20 0 FIADHM CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3cccc([O-])c3F)cc2)no1 ZINC000535657658 1083304851 /nfs/dbraw/zinc/30/48/51/1083304851.db2.gz DILGWZFMNUDQNR-UHFFFAOYSA-N -1 3 369.396 4.422 20 0 FIADHM Cc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)no1 ZINC000009203820 1083320878 /nfs/dbraw/zinc/32/08/78/1083320878.db2.gz QSMSHXVOZZSFQI-UHFFFAOYSA-N -1 3 351.387 4.218 20 0 FIADHM O=c1[nH]c(C(Cl)=Cc2ccc([O-])c(F)c2)nc2ccc(Cl)cc12 ZINC000179324053 1083378855 /nfs/dbraw/zinc/37/88/55/1083378855.db2.gz NPBAUMGHKAPZBU-WZUFQYTHSA-N -1 3 351.164 4.158 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000610766327 1083468412 /nfs/dbraw/zinc/46/84/12/1083468412.db2.gz GDZTZTDSFISTSF-OAHLLOKOSA-N -1 3 361.482 4.100 20 0 FIADHM COc1cccc([C@@H](C/N=C/c2cc(Cl)cc(Cl)c2[O-])N(C)C)c1 ZINC000022769144 1083649733 /nfs/dbraw/zinc/64/97/33/1083649733.db2.gz ZNUYVCXZUHWXIP-LYUVJKPTSA-N -1 3 367.276 4.429 20 0 FIADHM Cc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)c(C)n1C1CCCCC1 ZINC000535878959 1083914282 /nfs/dbraw/zinc/91/42/82/1083914282.db2.gz ARVBWYGUKUSFEJ-UHFFFAOYSA-N -1 3 363.465 4.069 20 0 FIADHM Cc1noc(C(F)F)c1C(=O)[N-]c1c(F)ccc(C)c1Br ZINC000684644771 1083999115 /nfs/dbraw/zinc/99/91/15/1083999115.db2.gz XYLPRSZLZDANQT-UHFFFAOYSA-N -1 3 363.133 4.383 20 0 FIADHM Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000685798379 1084009966 /nfs/dbraw/zinc/00/99/66/1084009966.db2.gz XWUHHWYSQNPGGG-AWEZNQCLSA-N -1 3 369.852 4.009 20 0 FIADHM Cc1ccc(C[C@H](CNCc2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000277214849 1084026093 /nfs/dbraw/zinc/02/60/93/1084026093.db2.gz HKCSBROKFNSQJC-CQSZACIVSA-N -1 3 352.261 4.335 20 0 FIADHM CCc1noc(C)c1C[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843599950 1084176739 /nfs/dbraw/zinc/17/67/39/1084176739.db2.gz XQRKYZNHFKOLIK-UHFFFAOYSA-N -1 3 363.191 4.260 20 0 FIADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000119573686 1084181195 /nfs/dbraw/zinc/18/11/95/1084181195.db2.gz ZIYOLHZMYOOCLS-UHFFFAOYSA-N -1 3 374.755 4.173 20 0 FIADHM O=C([O-])[C@@H]1CCCCCC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000277387600 1084369351 /nfs/dbraw/zinc/36/93/51/1084369351.db2.gz RFGXWCYWWWZTFB-MSOLQXFVSA-N -1 3 374.506 4.235 20 0 FIADHM CC(C)c1c(C(=O)Nc2ncccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000544024724 1084577852 /nfs/dbraw/zinc/57/78/52/1084577852.db2.gz KZIXQDWUOYLDNF-UHFFFAOYSA-N -1 3 356.813 4.002 20 0 FIADHM [O-]c1cccc(CN2CCSC[C@H]2c2ccccc2)c1Br ZINC001140550130 1084582106 /nfs/dbraw/zinc/58/21/06/1084582106.db2.gz FOCJNEKUBOVULC-HNNXBMFYSA-N -1 3 364.308 4.445 20 0 FIADHM C[C@@H](Oc1ccccc1)c1noc(C(=O)[N-]c2ccc(Cl)c(F)c2)n1 ZINC000582092386 1084602654 /nfs/dbraw/zinc/60/26/54/1084602654.db2.gz OWAZKVCKHVECKB-SNVBAGLBSA-N -1 3 361.760 4.254 20 0 FIADHM Cc1cccnc1[C@H](NCc1nnc(-c2ccccc2[O-])o1)C(C)(C)C ZINC000934288575 1084622284 /nfs/dbraw/zinc/62/22/84/1084622284.db2.gz WIYDZMJHXXNDLB-SFHVURJKSA-N -1 3 352.438 4.023 20 0 FIADHM Cc1cccnc1[C@@H](NCc1nnc(-c2ccccc2[O-])o1)C(C)(C)C ZINC000934288574 1084623168 /nfs/dbraw/zinc/62/31/68/1084623168.db2.gz WIYDZMJHXXNDLB-GOSISDBHSA-N -1 3 352.438 4.023 20 0 FIADHM O=C([N-]c1csc(-c2ccncc2)n1)c1cc(-c2cccs2)on1 ZINC000431367279 1084720097 /nfs/dbraw/zinc/72/00/97/1084720097.db2.gz AVPRXEKBUPKRJN-UHFFFAOYSA-N -1 3 354.416 4.174 20 0 FIADHM CCOc1cc(CN[C@H](c2nccs2)C(F)(F)F)cc(Cl)c1[O-] ZINC000628372623 1084736757 /nfs/dbraw/zinc/73/67/57/1084736757.db2.gz DLMABLGODQEAJS-GFCCVEGCSA-N -1 3 366.792 4.294 20 0 FIADHM CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCC[C@@H](C)CC(=O)[O-] ZINC000277534432 1084830338 /nfs/dbraw/zinc/83/03/38/1084830338.db2.gz ZHFSUOJGAMRCQX-CQSZACIVSA-N -1 3 363.889 4.240 20 0 FIADHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(C(F)(F)F)nc1 ZINC000543863549 1084946511 /nfs/dbraw/zinc/94/65/11/1084946511.db2.gz KMAHCUBEAFFNSN-UHFFFAOYSA-N -1 3 371.167 4.208 20 0 FIADHM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)Nc1cc(F)ccc1[O-] ZINC000536220564 1084952166 /nfs/dbraw/zinc/95/21/66/1084952166.db2.gz MBSGGDJWJQIISB-CYBMUJFWSA-N -1 3 366.392 4.328 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000582470794 1085053524 /nfs/dbraw/zinc/05/35/24/1085053524.db2.gz ICLSYRRJNCNZLA-FQEVSTJZSA-N -1 3 364.445 4.108 20 0 FIADHM O=C([O-])[C@H]1C[C@H](NCc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000582497692 1085071212 /nfs/dbraw/zinc/07/12/12/1085071212.db2.gz AULAQKATDBWZJW-CZMCAQCFSA-N -1 3 357.262 4.070 20 0 FIADHM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C(C[C@@H]1CCCO1)C(F)(F)F ZINC000651629110 1085260263 /nfs/dbraw/zinc/26/02/63/1085260263.db2.gz JMAUASMJEWTZHO-DTWKUNHWSA-N -1 3 372.170 4.385 20 0 FIADHM COc1ccc2cc([C@H](C)C(=O)NCc3ccc([O-])c(F)c3)ccc2c1 ZINC000133229050 1085308444 /nfs/dbraw/zinc/30/84/44/1085308444.db2.gz XVUDOIAUJLRFCU-ZDUSSCGKSA-N -1 3 353.393 4.113 20 0 FIADHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651725681 1085419538 /nfs/dbraw/zinc/41/95/38/1085419538.db2.gz MGWROKOWJBGRNG-UHFFFAOYSA-N -1 3 359.842 4.101 20 0 FIADHM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC001211554635 1085445912 /nfs/dbraw/zinc/44/59/12/1085445912.db2.gz CASRDUXJNRXKBO-ZDUSSCGKSA-N -1 3 371.474 4.041 20 0 FIADHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000326880678 1085463697 /nfs/dbraw/zinc/46/36/97/1085463697.db2.gz ZZAIHEDEPZMUDD-AWEZNQCLSA-N -1 3 362.857 4.318 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)ccc1OC(C)C ZINC000511196856 1085712690 /nfs/dbraw/zinc/71/26/90/1085712690.db2.gz BDCCPHNIPAXQRS-UHFFFAOYSA-N -1 3 372.446 4.238 20 0 FIADHM CC(C)c1cccc(C(C)C)c1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000511895187 1085770738 /nfs/dbraw/zinc/77/07/38/1085770738.db2.gz GULSPOPVBSEOKI-UHFFFAOYSA-N -1 3 352.438 4.173 20 0 FIADHM CCSc1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000574564750 1085914535 /nfs/dbraw/zinc/91/45/35/1085914535.db2.gz AXNNDWFKZCHISM-UHFFFAOYSA-N -1 3 357.447 4.327 20 0 FIADHM O=S(=O)([N-]CCc1ccc(Cl)s1)c1cc(Cl)ccc1Cl ZINC000049335488 1086006412 /nfs/dbraw/zinc/00/64/12/1086006412.db2.gz FBPWVLFOHNUQPI-UHFFFAOYSA-N -1 3 370.710 4.229 20 0 FIADHM O=C([O-])c1cccc2c1CN(CCCOc1ccc3ccccc3c1)CC2 ZINC000652487433 1086115234 /nfs/dbraw/zinc/11/52/34/1086115234.db2.gz FQCYMHPCUPHVAK-UHFFFAOYSA-N -1 3 361.441 4.365 20 0 FIADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000652501122 1086127579 /nfs/dbraw/zinc/12/75/79/1086127579.db2.gz FFANEGYLXATCIV-LJQANCHMSA-N -1 3 370.499 4.100 20 0 FIADHM COc1ccc(-c2nc(CN3CCC[C@H](C(C)(C)C(=O)[O-])C3)cs2)cc1 ZINC000652500590 1086136938 /nfs/dbraw/zinc/13/69/38/1086136938.db2.gz ZSQJOLJMJPLMIY-HNNXBMFYSA-N -1 3 374.506 4.142 20 0 FIADHM C[C@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CCc2ccc(F)cc21 ZINC000652510666 1086139821 /nfs/dbraw/zinc/13/98/21/1086139821.db2.gz HKMLIGPQZMYKEN-VOJFVSQTSA-N -1 3 365.807 4.406 20 0 FIADHM CC(C)c1nnc([C@@H]2CCCCN2C(=O)c2cc([O-])c3ccccc3c2)[nH]1 ZINC000330251626 1086227364 /nfs/dbraw/zinc/22/73/64/1086227364.db2.gz HULBWSSVWBPIFQ-KRWDZBQOSA-N -1 3 364.449 4.154 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c([O-])c1 ZINC000153919110 1086255098 /nfs/dbraw/zinc/25/50/98/1086255098.db2.gz WHFBUMKMYDQVMM-LLVKDONJSA-N -1 3 370.396 4.196 20 0 FIADHM O=C([O-])C[C@@H]1CCCCN1Cc1oc2ccccc2c1Br ZINC000662213695 1086339221 /nfs/dbraw/zinc/33/92/21/1086339221.db2.gz FVMHRGHUSCVYBQ-NSHDSACASA-N -1 3 352.228 4.025 20 0 FIADHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000663262917 1086345973 /nfs/dbraw/zinc/34/59/73/1086345973.db2.gz VFWMVLWFFRCHOK-INIZCTEOSA-N -1 3 353.340 4.020 20 0 FIADHM CN(Cc1cc2ccccc2o1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000472283172 1086447459 /nfs/dbraw/zinc/44/74/59/1086447459.db2.gz HYFGGJAZXWEDPH-UHFFFAOYSA-N -1 3 359.385 4.460 20 0 FIADHM C[C@@H](c1cccs1)N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126158292 1086587021 /nfs/dbraw/zinc/58/70/21/1086587021.db2.gz DOZXQARAHCIMGQ-JTQLQIEISA-N -1 3 369.284 4.119 20 0 FIADHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000150941261 1086621564 /nfs/dbraw/zinc/62/15/64/1086621564.db2.gz WHRYYRJRDRDFAY-KRWDZBQOSA-N -1 3 352.356 4.006 20 0 FIADHM COc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1SC ZINC001299165318 1086725177 /nfs/dbraw/zinc/72/51/77/1086725177.db2.gz KNROFKDDOKTZKR-UHFFFAOYSA-N -1 3 368.252 4.138 20 0 FIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000583534660 1086779068 /nfs/dbraw/zinc/77/90/68/1086779068.db2.gz XYIVECZRPAUABT-UHFFFAOYSA-N -1 3 371.824 4.468 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 ZINC000583642229 1086889893 /nfs/dbraw/zinc/88/98/93/1086889893.db2.gz SJPAYQKNNVMPKG-AWEZNQCLSA-N -1 3 358.747 4.059 20 0 FIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(C(C)C)c1)c2=O ZINC000536102837 1086916260 /nfs/dbraw/zinc/91/62/60/1086916260.db2.gz KZNBQLGZJDBPHB-UHFFFAOYSA-N -1 3 354.381 4.052 20 0 FIADHM CCN(CCc1nccs1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000583758277 1086948418 /nfs/dbraw/zinc/94/84/18/1086948418.db2.gz BWVCUZXDOUAUHE-AWEZNQCLSA-N -1 3 359.278 4.140 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(C4CCC4)cs3)c[n-]c12 ZINC000278416130 1086957328 /nfs/dbraw/zinc/95/73/28/1086957328.db2.gz IEPOXHXQNQPGNN-UHFFFAOYSA-N -1 3 357.410 4.364 20 0 FIADHM [O-]c1cccc(CNCc2cccc(COC[C@@H]3CCCO3)c2)c1Cl ZINC000657803983 1087021572 /nfs/dbraw/zinc/02/15/72/1087021572.db2.gz SPAVTPBGYZPXSY-SFHVURJKSA-N -1 3 361.869 4.031 20 0 FIADHM C[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000133115215 1087122820 /nfs/dbraw/zinc/12/28/20/1087122820.db2.gz WCVHSDGJQUQCEW-NSHDSACASA-N -1 3 355.331 4.360 20 0 FIADHM Cc1ccc(CCCC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000151526366 1087126061 /nfs/dbraw/zinc/12/60/61/1087126061.db2.gz BGBFLNGFCPLEGU-UHFFFAOYSA-N -1 3 368.296 4.164 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000584352780 1087275292 /nfs/dbraw/zinc/27/52/92/1087275292.db2.gz AFBPDHNZHVGFEL-OXQOHEQNSA-N -1 3 367.445 4.216 20 0 FIADHM CN(Cc1ccccc1N1CCCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468520532 1088051802 /nfs/dbraw/zinc/05/18/02/1088051802.db2.gz ZEPLUVWWTOSBLK-UHFFFAOYSA-N -1 3 370.468 4.113 20 0 FIADHM O=c1nc(CSc2ccccc2O)[n-]c2scc(-c3ccco3)c21 ZINC000177275831 1088258749 /nfs/dbraw/zinc/25/87/49/1088258749.db2.gz KGUHEFKUOLUINQ-UHFFFAOYSA-N -1 3 356.428 4.243 20 0 FIADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469231157 1088448348 /nfs/dbraw/zinc/44/83/48/1088448348.db2.gz VVMQXEGMNDNFSO-UHFFFAOYSA-N -1 3 364.804 4.105 20 0 FIADHM CC(=O)c1ccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c(F)c1 ZINC001211647587 1088778884 /nfs/dbraw/zinc/77/88/84/1088778884.db2.gz XDPDOINVBGFIQU-UHFFFAOYSA-N -1 3 358.756 4.157 20 0 FIADHM [O-]C(=Cc1nc(-c2cncc(C(F)(F)F)c2)no1)c1ccccc1Cl ZINC001211647633 1088786113 /nfs/dbraw/zinc/78/61/13/1088786113.db2.gz ZWNHGAWPKZJFHV-UHFFFAOYSA-N -1 3 367.714 4.229 20 0 FIADHM CN(CCCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659785649 1088856723 /nfs/dbraw/zinc/85/67/23/1088856723.db2.gz GILGZCFWPWOIAF-QGZVFWFLSA-N -1 3 362.267 4.139 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4nc(C)oc4c3)c2)n1 ZINC000377074868 1088998613 /nfs/dbraw/zinc/99/86/13/1088998613.db2.gz VUEYZCOZHAPBGR-UHFFFAOYSA-N -1 3 374.400 4.114 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Br)c(F)c1 ZINC000435132343 1089316516 /nfs/dbraw/zinc/31/65/16/1089316516.db2.gz JAROLVQHQGUEFS-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2csc(Br)c2)CC)n1 ZINC000435338558 1089544501 /nfs/dbraw/zinc/54/45/01/1089544501.db2.gz GRANLOYASNWKJJ-IZZDOVSWSA-N -1 3 353.285 4.497 20 0 FIADHM O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000435761240 1089923237 /nfs/dbraw/zinc/92/32/37/1089923237.db2.gz PLTHXXWPZQUSML-KRWDZBQOSA-N -1 3 365.351 4.444 20 0 FIADHM CCC[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccc(F)cc1F ZINC000180265216 1090180827 /nfs/dbraw/zinc/18/08/27/1090180827.db2.gz FHWCUANJSDEYOC-SFHVURJKSA-N -1 3 359.372 4.408 20 0 FIADHM O=C([N-]c1c2nsnc2ccc1Cl)c1nc(Cl)ccc1Cl ZINC000115879378 1090269392 /nfs/dbraw/zinc/26/93/92/1090269392.db2.gz IDKHYXZDBCXPBU-UHFFFAOYSA-N -1 3 359.625 4.299 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000511590524 1090579704 /nfs/dbraw/zinc/57/97/04/1090579704.db2.gz CDZNWBGHIRKNGZ-ZBEGNZNMSA-N -1 3 367.371 4.191 20 0 FIADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000312410659 1090704706 /nfs/dbraw/zinc/70/47/06/1090704706.db2.gz FXVDOVSTRXTVIS-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM O=C([O-])[C@H]1Cc2ccccc2CN1CCc1cc(Cl)ccc1Cl ZINC000584786096 1090885716 /nfs/dbraw/zinc/88/57/16/1090885716.db2.gz ZZGHPYQEPPAEHT-QGZVFWFLSA-N -1 3 350.245 4.047 20 0 FIADHM O=C([O-])C[C@@H](NCc1csc(C2CC2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000417577066 1090930422 /nfs/dbraw/zinc/93/04/22/1090930422.db2.gz LHXKIYZPGKOAOV-ANCGMVAHSA-N -1 3 360.523 4.170 20 0 FIADHM O=C([O-])CC[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000417589331 1090934513 /nfs/dbraw/zinc/93/45/13/1090934513.db2.gz ABJQUKFQFQKPDG-OAHLLOKOSA-N -1 3 353.340 4.123 20 0 FIADHM CCCCOc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1OC ZINC000417618507 1090940838 /nfs/dbraw/zinc/94/08/38/1090940838.db2.gz JSNBGGMBWWUNBO-RBUKOAKNSA-N -1 3 369.461 4.277 20 0 FIADHM CCCc1csc(CN[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])n1 ZINC000417623760 1090942782 /nfs/dbraw/zinc/94/27/82/1090942782.db2.gz PRFJKYLZFLSXHL-CQSZACIVSA-N -1 3 373.305 4.188 20 0 FIADHM C[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000417613777 1090943313 /nfs/dbraw/zinc/94/33/13/1090943313.db2.gz QSVPTWYSHJBQPQ-NXEZZACHSA-N -1 3 358.385 4.028 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)s2)o1 ZINC000417615661 1090944366 /nfs/dbraw/zinc/94/43/66/1090944366.db2.gz ACEOCCCWQURNEH-JKSUJKDBSA-N -1 3 354.431 4.114 20 0 FIADHM CCCOc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1OCC ZINC000417623257 1090947033 /nfs/dbraw/zinc/94/70/33/1090947033.db2.gz PJUUECJZALIOKV-MOPGFXCFSA-N -1 3 369.461 4.277 20 0 FIADHM COc1cccc(C[C@H](CNCc2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000417654638 1090955044 /nfs/dbraw/zinc/95/50/44/1090955044.db2.gz UUBHQLWIUZFNMX-GFCCVEGCSA-N -1 3 374.289 4.097 20 0 FIADHM COc1cccc(C[C@@H](CNCc2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000417655047 1090955228 /nfs/dbraw/zinc/95/52/28/1090955228.db2.gz UUBHQLWIUZFNMX-LBPRGKRZSA-N -1 3 374.289 4.097 20 0 FIADHM CSc1nc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)n[n-]1 ZINC000500332223 1091301116 /nfs/dbraw/zinc/30/11/16/1091301116.db2.gz FVTOKDPIQWMFNJ-UHFFFAOYSA-N -1 3 356.426 4.202 20 0 FIADHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1nc(Cl)ccc1F ZINC000759902434 1091449631 /nfs/dbraw/zinc/44/96/31/1091449631.db2.gz KOQGCKFNMWRPOR-UHFFFAOYSA-N -1 3 362.817 4.034 20 0 FIADHM CC(C)(Cc1ccccc1Cl)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606670283 1091800817 /nfs/dbraw/zinc/80/08/17/1091800817.db2.gz ZPDOZRAUTVKHFT-UHFFFAOYSA-N -1 3 350.821 4.005 20 0 FIADHM Cc1ccc(C2(C[N-]S(=O)(=O)c3ccc(Cl)s3)CCC2)cc1C ZINC001211708254 1091987419 /nfs/dbraw/zinc/98/74/19/1091987419.db2.gz RFBPZYHJNUQRJI-UHFFFAOYSA-N -1 3 369.939 4.419 20 0 FIADHM CC(C)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000041866386 1092023275 /nfs/dbraw/zinc/02/32/75/1092023275.db2.gz AMFYQVXTXIQRPX-LJQANCHMSA-N -1 3 354.837 4.309 20 0 FIADHM O=c1ccnc(C(=Cc2cnc(C(F)(F)F)s2)Cc2ccccc2)[n-]1 ZINC000432694668 1092121157 /nfs/dbraw/zinc/12/11/57/1092121157.db2.gz NCKCGHVWPMBCJP-FMIVXFBMSA-N -1 3 363.364 4.441 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(OCC3CC3)cc2)Cc2ccccc2)[n-]1 ZINC000432695549 1092124574 /nfs/dbraw/zinc/12/45/74/1092124574.db2.gz LSKOMQBQMKPSQH-HKWRFOASSA-N -1 3 358.441 4.342 20 0 FIADHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c(Cl)c1 ZINC000432708650 1092158060 /nfs/dbraw/zinc/15/80/60/1092158060.db2.gz HDTIYPWGFAPJFJ-FOWTUZBSSA-N -1 3 352.821 4.215 20 0 FIADHM CCOc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1F ZINC000432707653 1092163578 /nfs/dbraw/zinc/16/35/78/1092163578.db2.gz NWPGGKDNTUXGDH-LGMDPLHJSA-N -1 3 350.393 4.091 20 0 FIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000432773016 1092312162 /nfs/dbraw/zinc/31/21/62/1092312162.db2.gz YZIFTTYGNIOYPJ-UHFFFAOYSA-N -1 3 372.730 4.275 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C ZINC000442226473 1092498942 /nfs/dbraw/zinc/49/89/42/1092498942.db2.gz ANWMNDZKKVMYIV-UHFFFAOYSA-N -1 3 361.797 4.044 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cncnc1-c1ccccc1 ZINC000521125819 1092504251 /nfs/dbraw/zinc/50/42/51/1092504251.db2.gz WTYRKVKZMZSOBX-UHFFFAOYSA-N -1 3 359.307 4.120 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1C(F)(F)F ZINC000521129441 1092527961 /nfs/dbraw/zinc/52/79/61/1092527961.db2.gz VJRABSHEFQTKQS-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM CN(C)Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1Cl ZINC000500794651 1092579781 /nfs/dbraw/zinc/57/97/81/1092579781.db2.gz KSRPFUFHQLZPDE-UHFFFAOYSA-N -1 3 364.848 4.208 20 0 FIADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)CCOc1ccccc1C(=O)[O-] ZINC000521809959 1092926589 /nfs/dbraw/zinc/92/65/89/1092926589.db2.gz NNILYSOBGLBDJA-AWEZNQCLSA-N -1 3 362.495 4.345 20 0 FIADHM O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)c1cc(C2CC2)no1 ZINC000443074055 1092934495 /nfs/dbraw/zinc/93/44/95/1092934495.db2.gz SDWUOFWDEVHSEC-UHFFFAOYSA-N -1 3 361.304 4.061 20 0 FIADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000521843438 1092941915 /nfs/dbraw/zinc/94/19/15/1092941915.db2.gz PORZUQFKXNRLQQ-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)o1 ZINC000521916460 1092978033 /nfs/dbraw/zinc/97/80/33/1092978033.db2.gz BSRVHAFFJHERRN-DOMZBBRYSA-N -1 3 374.487 4.005 20 0 FIADHM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cc(F)ccc3Cl)cc21 ZINC000191230236 1093124855 /nfs/dbraw/zinc/12/48/55/1093124855.db2.gz LFLPWLFYRMXVJH-UHFFFAOYSA-N -1 3 374.220 4.062 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000191228387 1093127561 /nfs/dbraw/zinc/12/75/61/1093127561.db2.gz UCQLKGOLIWGXDH-UHFFFAOYSA-N -1 3 370.257 4.232 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]1c1ccncc1 ZINC000093913226 1093238096 /nfs/dbraw/zinc/23/80/96/1093238096.db2.gz GZHUBZLCLBEXNE-NRFANRHFSA-N -1 3 358.441 4.355 20 0 FIADHM CCCN(CCC)C(=O)c1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001211762617 1093254675 /nfs/dbraw/zinc/25/46/75/1093254675.db2.gz PSFUQBODCIBQOX-UHFFFAOYSA-N -1 3 354.454 4.065 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000614237737 1093267366 /nfs/dbraw/zinc/26/73/66/1093267366.db2.gz FLBKQPUNHOGECB-UHFFFAOYSA-N -1 3 356.813 4.169 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCC[C@H]3CCC[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000522370812 1093429283 /nfs/dbraw/zinc/42/92/83/1093429283.db2.gz LWBAYLHPIKLMSX-GOEBONIOSA-N -1 3 368.481 4.496 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3OC(C)C)c[n-]c12 ZINC000433220841 1093446334 /nfs/dbraw/zinc/44/63/34/1093446334.db2.gz QPIDLJGZZBERTO-UHFFFAOYSA-N -1 3 354.381 4.015 20 0 FIADHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C[C@H](C)c2ccccc2)[nH][n-]1 ZINC000512853913 1093454718 /nfs/dbraw/zinc/45/47/18/1093454718.db2.gz DSTSLFVDVFFTNM-ZDUSSCGKSA-N -1 3 369.852 4.293 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc2[nH]ncc21 ZINC000473493512 1093707729 /nfs/dbraw/zinc/70/77/29/1093707729.db2.gz WFZOEQVHQNRCSH-UHFFFAOYSA-N -1 3 374.224 4.118 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3OCC3CC3)c[n-]c12 ZINC000433480507 1093808356 /nfs/dbraw/zinc/80/83/56/1093808356.db2.gz MZYMMVNLIGWMJR-UHFFFAOYSA-N -1 3 366.392 4.017 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)c([O-])c1 ZINC000124796132 1093808522 /nfs/dbraw/zinc/80/85/22/1093808522.db2.gz CLZOAVYJYYJMEU-UHFFFAOYSA-N -1 3 360.218 4.190 20 0 FIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000010516321 1093874321 /nfs/dbraw/zinc/87/43/21/1093874321.db2.gz IAJQMSNYZHBYOZ-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccoc1Cl ZINC000433863326 1094151431 /nfs/dbraw/zinc/15/14/31/1094151431.db2.gz FEYHGNDWJNCFDR-UHFFFAOYSA-N -1 3 354.218 4.281 20 0 FIADHM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000280181002 1094305747 /nfs/dbraw/zinc/30/57/47/1094305747.db2.gz HZIHKDLEDDVKRL-UHFFFAOYSA-N -1 3 365.437 4.307 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000501059765 1094470076 /nfs/dbraw/zinc/47/00/76/1094470076.db2.gz XBHASTORAXGVIF-MRXNPFEDSA-N -1 3 370.207 4.052 20 0 FIADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1nc(Cc2ccccc2)no1 ZINC000419582574 1094512251 /nfs/dbraw/zinc/51/22/51/1094512251.db2.gz FXMBABCPVLEFON-GFCCVEGCSA-N -1 3 368.462 4.028 20 0 FIADHM O=C(Nc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1)c1ccoc1 ZINC000549947584 1094624173 /nfs/dbraw/zinc/62/41/73/1094624173.db2.gz XLEGSMYIXCDUAR-UHFFFAOYSA-N -1 3 356.765 4.143 20 0 FIADHM C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000329010217 1094711796 /nfs/dbraw/zinc/71/17/96/1094711796.db2.gz OJJZNXZZVDIGSN-JQVVWYNYSA-N -1 3 353.462 4.091 20 0 FIADHM CC[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C[C@H](CC)O1 ZINC000420963090 1095202906 /nfs/dbraw/zinc/20/29/06/1095202906.db2.gz VBJNFUSIYXHKNM-STQMWFEESA-N -1 3 373.478 4.046 20 0 FIADHM CCCCc1nc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c(C(=O)OCC)[n-]1 ZINC001269123674 1095567177 /nfs/dbraw/zinc/56/71/77/1095567177.db2.gz GWZHWQWFMOBOKY-SHTZXODSSA-N -1 3 363.502 4.330 20 0 FIADHM Cc1c(Cl)c(C(=O)[N-]c2cc(F)ccc2SCC(F)F)nn1C ZINC000421481525 1095670262 /nfs/dbraw/zinc/67/02/62/1095670262.db2.gz SHSIMWLXCUTFSK-UHFFFAOYSA-N -1 3 363.792 4.131 20 0 FIADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000760016529 1095710356 /nfs/dbraw/zinc/71/03/56/1095710356.db2.gz OXQRENIMCKTDQM-UHFFFAOYSA-N -1 3 358.703 4.036 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2csc(Br)c2)c1 ZINC000522814164 1095724198 /nfs/dbraw/zinc/72/41/98/1095724198.db2.gz ADPIKVCKEQTXJM-UHFFFAOYSA-N -1 3 354.269 4.051 20 0 FIADHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000444218867 1095872718 /nfs/dbraw/zinc/87/27/18/1095872718.db2.gz YBWFXFQMKXYFHA-UHFFFAOYSA-N -1 3 366.552 4.216 20 0 FIADHM CCC(C)(C)OCc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1C ZINC000502995505 1096003866 /nfs/dbraw/zinc/00/38/66/1096003866.db2.gz WCSRXYBLTNUTPS-UHFFFAOYSA-N -1 3 370.428 4.363 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H]3Cc3ccccc3)cc2)cc(=O)[n-]1 ZINC000503260456 1096335145 /nfs/dbraw/zinc/33/51/45/1096335145.db2.gz HFPUOILMQPWWCU-LJQANCHMSA-N -1 3 374.444 4.007 20 0 FIADHM O=C(Nc1ccc(OC(=O)c2cc(-c3ccco3)[n-]n2)cc1)c1ccccc1 ZINC000028491985 1096372949 /nfs/dbraw/zinc/37/29/49/1096372949.db2.gz WBHWKWSJFGJKRR-UHFFFAOYSA-N -1 3 373.368 4.141 20 0 FIADHM O=C(Nc1ccc(OC(=O)c2cc(-c3ccco3)n[n-]2)cc1)c1ccccc1 ZINC000028491985 1096372951 /nfs/dbraw/zinc/37/29/51/1096372951.db2.gz WBHWKWSJFGJKRR-UHFFFAOYSA-N -1 3 373.368 4.141 20 0 FIADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Br ZINC000414684678 1096465378 /nfs/dbraw/zinc/46/53/78/1096465378.db2.gz RHIGMRKMYQALNN-VIFPVBQESA-N -1 3 368.193 4.153 20 0 FIADHM O=C(CCC(=O)c1cccc(F)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000503608682 1096495231 /nfs/dbraw/zinc/49/52/31/1096495231.db2.gz KWZIGBZNMDAEPJ-UHFFFAOYSA-N -1 3 355.287 4.152 20 0 FIADHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000504150424 1096688147 /nfs/dbraw/zinc/68/81/47/1096688147.db2.gz IORWWKRFBZLTBU-PIGZYNQJSA-N -1 3 366.244 4.301 20 0 FIADHM O=S(=O)([N-][C@H]1CCCOc2ccccc21)c1c(Cl)cccc1Cl ZINC000504547333 1096805854 /nfs/dbraw/zinc/80/58/54/1096805854.db2.gz NBMIRXXCRFUMKK-AWEZNQCLSA-N -1 3 372.273 4.186 20 0 FIADHM CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)CC(C)(C)C ZINC000532957243 1098642877 /nfs/dbraw/zinc/64/28/77/1098642877.db2.gz XHSRXBUJRMQJPU-UHFFFAOYSA-N -1 3 359.470 4.269 20 0 FIADHM CCc1onc(C)c1[N-]C(=O)c1cc(Cl)cc(Br)c1F ZINC000436038500 1098665979 /nfs/dbraw/zinc/66/59/79/1098665979.db2.gz MIKAIJAPSJKPBE-UHFFFAOYSA-N -1 3 361.598 4.353 20 0 FIADHM COc1ccc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000436484614 1099061764 /nfs/dbraw/zinc/06/17/64/1099061764.db2.gz FBCZDCUBRNXKSX-UHFFFAOYSA-N -1 3 363.816 4.155 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1[O-] ZINC000436510895 1099069891 /nfs/dbraw/zinc/06/98/91/1099069891.db2.gz JPSGCQMZFLLDDP-UHFFFAOYSA-N -1 3 357.303 4.423 20 0 FIADHM COc1cccc(C(=O)Nc2ccccc2COCc2ccccc2)c1[O-] ZINC000436509325 1099070527 /nfs/dbraw/zinc/07/05/27/1099070527.db2.gz FKWWOJCVTUEFCZ-UHFFFAOYSA-N -1 3 363.413 4.370 20 0 FIADHM [O-]c1ccccc1-c1nc(Cc2c(F)ccc(Br)c2F)no1 ZINC000436523790 1099079851 /nfs/dbraw/zinc/07/98/51/1099079851.db2.gz WGJXVQYFHWPBRI-UHFFFAOYSA-N -1 3 367.149 4.074 20 0 FIADHM Cc1cccc(C(=O)Nc2cccc(CSC3CCOCC3)c2)c1[O-] ZINC000436552182 1099099062 /nfs/dbraw/zinc/09/90/62/1099099062.db2.gz CFTPIRUWOWOJKI-UHFFFAOYSA-N -1 3 357.475 4.365 20 0 FIADHM COc1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c([O-])c1 ZINC000436554131 1099100345 /nfs/dbraw/zinc/10/03/45/1099100345.db2.gz IBDADQUZCXMIPZ-UHFFFAOYSA-N -1 3 361.388 4.264 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1[O-] ZINC000436555243 1099101882 /nfs/dbraw/zinc/10/18/82/1099101882.db2.gz KKNDSERXIARKMF-UHFFFAOYSA-N -1 3 370.405 4.034 20 0 FIADHM COCCN(C(=O)c1ccccc1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000436540795 1099105998 /nfs/dbraw/zinc/10/59/98/1099105998.db2.gz UFIQDRCHJDOTFN-CYBMUJFWSA-N -1 3 367.367 4.261 20 0 FIADHM CC(C)OCCCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436559791 1099113617 /nfs/dbraw/zinc/11/36/17/1099113617.db2.gz BGYKZJLOSKPWOQ-UHFFFAOYSA-N -1 3 355.478 4.065 20 0 FIADHM Cc1ccc(F)c2c1CCCN2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000533514237 1099119229 /nfs/dbraw/zinc/11/92/29/1099119229.db2.gz XFOMEHUXJFQUSR-UHFFFAOYSA-N -1 3 363.392 4.482 20 0 FIADHM CC(C)N1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000436569597 1099119659 /nfs/dbraw/zinc/11/96/59/1099119659.db2.gz GPXQYXYTPLIOBI-UHFFFAOYSA-N -1 3 372.896 4.269 20 0 FIADHM CCc1cnc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000436573102 1099123066 /nfs/dbraw/zinc/12/30/66/1099123066.db2.gz GYKIEOKEMMEZNY-UHFFFAOYSA-N -1 3 368.458 4.476 20 0 FIADHM COc1ccccc1CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436591948 1099123630 /nfs/dbraw/zinc/12/36/30/1099123630.db2.gz YUAVTMWPGGBUMP-UHFFFAOYSA-N -1 3 361.441 4.264 20 0 FIADHM CCc1ncsc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436597159 1099128466 /nfs/dbraw/zinc/12/84/66/1099128466.db2.gz UAVNPSUCQNFJPQ-UHFFFAOYSA-N -1 3 354.431 4.242 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCc2cc(F)c(F)cc21 ZINC000436578540 1099128730 /nfs/dbraw/zinc/12/87/30/1099128730.db2.gz RJJXCMLEHDYPCL-UHFFFAOYSA-N -1 3 365.379 4.464 20 0 FIADHM CCc1nnc(-c2ccc(NC(=O)c3cc4c(cc3[O-])CCCC4)cc2)o1 ZINC000436578854 1099129252 /nfs/dbraw/zinc/12/92/52/1099129252.db2.gz XZEUJGJYQKAJLD-UHFFFAOYSA-N -1 3 363.417 4.136 20 0 FIADHM Cc1ccc(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c([O-])c1C ZINC000436589830 1099135285 /nfs/dbraw/zinc/13/52/85/1099135285.db2.gz PWKSENFLXXHHSR-UHFFFAOYSA-N -1 3 355.434 4.146 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000533521078 1099140283 /nfs/dbraw/zinc/14/02/83/1099140283.db2.gz UHEKZTBELMNENV-IRXDYDNUSA-N -1 3 367.445 4.073 20 0 FIADHM O=C(CCOCC1CC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436605132 1099140439 /nfs/dbraw/zinc/14/04/39/1099140439.db2.gz KPYXPGWLDUKEEG-UHFFFAOYSA-N -1 3 368.458 4.424 20 0 FIADHM C[C@H]1C[C@H](c2ccccc2)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000516076709 1099155763 /nfs/dbraw/zinc/15/57/63/1099155763.db2.gz VLXCXZUWRKBUKF-KXBFYZLASA-N -1 3 362.429 4.418 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ncccc2OCC2CCCCC2)cc1[O-] ZINC000436622475 1099169913 /nfs/dbraw/zinc/16/99/13/1099169913.db2.gz GSGXVSCGAAJCDJ-UHFFFAOYSA-N -1 3 368.433 4.201 20 0 FIADHM CCOc1cc(-c2nc3cc(F)c(F)cc3[nH]2)cc(Br)c1[O-] ZINC000436654076 1099175509 /nfs/dbraw/zinc/17/55/09/1099175509.db2.gz CXZAUYFKNJCXKS-UHFFFAOYSA-N -1 3 369.165 4.375 20 0 FIADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1[O-] ZINC000436657959 1099181963 /nfs/dbraw/zinc/18/19/63/1099181963.db2.gz KDLCBRKFQRRYQO-HXUWFJFHSA-N -1 3 362.429 4.444 20 0 FIADHM O=C(Nc1cccc(COCCc2ccccc2)c1)c1c([O-])cccc1O ZINC000436646099 1099186844 /nfs/dbraw/zinc/18/68/44/1099186844.db2.gz FZVVYIWITMPOTL-UHFFFAOYSA-N -1 3 363.413 4.109 20 0 FIADHM CCOC(=O)C1CCC(N(CC)C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436667029 1099195737 /nfs/dbraw/zinc/19/57/37/1099195737.db2.gz WEOBZFPNUBUXAP-UHFFFAOYSA-N -1 3 361.482 4.100 20 0 FIADHM C[C@]12CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C[C@H]1C2(F)F ZINC000436669935 1099198671 /nfs/dbraw/zinc/19/86/71/1099198671.db2.gz BWBVUTHIPCQHEL-QUCCMNQESA-N -1 3 357.400 4.100 20 0 FIADHM [O-]c1ccccc1-c1nc(CSc2cccc(Br)c2)no1 ZINC000436659538 1099207076 /nfs/dbraw/zinc/20/70/76/1099207076.db2.gz PIGTYVIPIWJEAI-UHFFFAOYSA-N -1 3 363.236 4.497 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000436658243 1099207257 /nfs/dbraw/zinc/20/72/57/1099207257.db2.gz SXSUJULHHKEQEC-UHFFFAOYSA-N -1 3 364.228 4.334 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)c1[O-] ZINC000436682048 1099214950 /nfs/dbraw/zinc/21/49/50/1099214950.db2.gz OZDKYZHOOAEWFR-UHFFFAOYSA-N -1 3 354.259 4.276 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c1 ZINC000436698616 1099230997 /nfs/dbraw/zinc/23/09/97/1099230997.db2.gz QSHRSTDCBSKZPR-UHFFFAOYSA-N -1 3 351.406 4.050 20 0 FIADHM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000516219193 1099273708 /nfs/dbraw/zinc/27/37/08/1099273708.db2.gz REVJMNVZKIXFGY-GFCCVEGCSA-N -1 3 357.841 4.467 20 0 FIADHM CC1(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@H]1[C@@H]1CCCO1 ZINC000436787133 1099317965 /nfs/dbraw/zinc/31/79/65/1099317965.db2.gz MNPNBMJJCXNFGE-PMACEKPBSA-N -1 3 367.445 4.214 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c([O-])c1 ZINC000436792113 1099323360 /nfs/dbraw/zinc/32/33/60/1099323360.db2.gz MHKMBKGEMRNXCP-UHFFFAOYSA-N -1 3 360.413 4.230 20 0 FIADHM CC[C@@H](c1nnc(NC(=O)c2cccc(OC)c2[O-])s1)c1ccccc1 ZINC000436816711 1099328004 /nfs/dbraw/zinc/32/80/04/1099328004.db2.gz UQZBWIUCBDWPSZ-CYBMUJFWSA-N -1 3 369.446 4.047 20 0 FIADHM CCOc1ccccc1C1=CCN(C(=O)c2ccc(CC)cc2[O-])CC1 ZINC000436815494 1099328768 /nfs/dbraw/zinc/32/87/68/1099328768.db2.gz OTZLVMBNUFFSDM-UHFFFAOYSA-N -1 3 351.446 4.283 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000436815201 1099339155 /nfs/dbraw/zinc/33/91/55/1099339155.db2.gz NMZUDHPRCAVDLT-HXUWFJFHSA-N -1 3 365.473 4.014 20 0 FIADHM CCc1ccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c([O-])c1 ZINC000436819779 1099347112 /nfs/dbraw/zinc/34/71/12/1099347112.db2.gz JPIQULLVWDUPPJ-ORAYPTAESA-N -1 3 359.853 4.210 20 0 FIADHM CCN(CC)C(=O)c1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000436825496 1099352261 /nfs/dbraw/zinc/35/22/61/1099352261.db2.gz LFPQHXSKNNSTQK-UHFFFAOYSA-N -1 3 366.461 4.005 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1[O-] ZINC000436860585 1099372117 /nfs/dbraw/zinc/37/21/17/1099372117.db2.gz PPQYZLNLSMYGPH-UHFFFAOYSA-N -1 3 355.724 4.102 20 0 FIADHM Nc1ccc(C(=O)Nc2ccc(Nc3ccc([O-])c(F)c3F)cc2)cc1 ZINC001212011178 1099376843 /nfs/dbraw/zinc/37/68/43/1099376843.db2.gz WQDGGERUZBEVBQ-UHFFFAOYSA-N -1 3 355.344 4.249 20 0 FIADHM [O-]c1ccc(Nc2c(F)cccc2I)c(F)c1F ZINC001212013757 1099377118 /nfs/dbraw/zinc/37/71/18/1099377118.db2.gz INKOSGNNKXLZCM-UHFFFAOYSA-N -1 3 365.092 4.158 20 0 FIADHM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001212018711 1099378131 /nfs/dbraw/zinc/37/81/31/1099378131.db2.gz XBQWSIPSLGNJEZ-NWDGAFQWSA-N -1 3 372.943 4.444 20 0 FIADHM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001212018713 1099379132 /nfs/dbraw/zinc/37/91/32/1099379132.db2.gz XBQWSIPSLGNJEZ-VXGBXAGGSA-N -1 3 372.943 4.444 20 0 FIADHM [O-]c1ccc(Nc2cc(F)c(OCC3CCOCC3)c(F)c2)c(F)c1F ZINC001212016227 1099382463 /nfs/dbraw/zinc/38/24/63/1099382463.db2.gz FMYGTSLHKKAMKY-UHFFFAOYSA-N -1 3 371.330 4.498 20 0 FIADHM Cc1cncc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)c1 ZINC000436893122 1099410629 /nfs/dbraw/zinc/41/06/29/1099410629.db2.gz MPTVDKWWZNOKDR-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM Cc1ccc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)cn1 ZINC000436903425 1099413198 /nfs/dbraw/zinc/41/31/98/1099413198.db2.gz MRTHNHYGUBRRCC-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM CC(C)[C@](C)(O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436907180 1099414322 /nfs/dbraw/zinc/41/43/22/1099414322.db2.gz DYPFWDSUQOMZDT-IBGZPJMESA-N -1 3 356.447 4.014 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c(C)c1 ZINC000614882971 1099427048 /nfs/dbraw/zinc/42/70/48/1099427048.db2.gz GKIPFWSDGFIUMT-UHFFFAOYSA-N -1 3 363.479 4.210 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c(C)c1 ZINC000614882963 1099427413 /nfs/dbraw/zinc/42/74/13/1099427413.db2.gz FOFZRVMHDJJFFU-UHFFFAOYSA-N -1 3 363.479 4.292 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3c[nH]c4cc(Cl)ccc34)no2)c1 ZINC000436917569 1099432746 /nfs/dbraw/zinc/43/27/46/1099432746.db2.gz BOIPUUAGLVYLHN-UHFFFAOYSA-N -1 3 355.781 4.176 20 0 FIADHM COc1ccc(Cc2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cn1 ZINC000436933825 1099447297 /nfs/dbraw/zinc/44/72/97/1099447297.db2.gz USNOXWYXGMFPRA-UHFFFAOYSA-N -1 3 373.412 4.027 20 0 FIADHM COCCOc1ccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1F ZINC000436939135 1099451600 /nfs/dbraw/zinc/45/16/00/1099451600.db2.gz MPNGARYFQQLQBA-UHFFFAOYSA-N -1 3 372.396 4.397 20 0 FIADHM CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436943674 1099455137 /nfs/dbraw/zinc/45/51/37/1099455137.db2.gz KPBKVYVTRQZLRR-MRXNPFEDSA-N -1 3 351.406 4.022 20 0 FIADHM Cc1nc(-c2cccc(-c3noc(-c4cc5ccccc5cc4[O-])n3)c2)n[nH]1 ZINC000436949296 1099460991 /nfs/dbraw/zinc/46/09/91/1099460991.db2.gz WRFWJEWSFNFJHU-UHFFFAOYSA-N -1 3 369.384 4.356 20 0 FIADHM COc1ccc(CN(C)C(=O)c2cc(Oc3ccccc3)ccc2[O-])cc1 ZINC000436954849 1099472284 /nfs/dbraw/zinc/47/22/84/1099472284.db2.gz YCVJDMQIGZEKGC-UHFFFAOYSA-N -1 3 363.413 4.465 20 0 FIADHM CCCCOc1ccc(C(=O)N(C)Cc2nc3c(s2)CCCC3)c([O-])c1 ZINC000436987063 1099491849 /nfs/dbraw/zinc/49/18/49/1099491849.db2.gz LFVMQNKTFXPGDD-UHFFFAOYSA-N -1 3 374.506 4.179 20 0 FIADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)c([O-])c1 ZINC000436992113 1099496956 /nfs/dbraw/zinc/49/69/56/1099496956.db2.gz UKYZESJDWKKLFG-IBGZPJMESA-N -1 3 361.445 4.458 20 0 FIADHM [O-]c1ccccc1-c1nc(CSc2nc(-c3ccccc3)co2)no1 ZINC000437000033 1099520951 /nfs/dbraw/zinc/52/09/51/1099520951.db2.gz HNWJJBCOWXFGMS-UHFFFAOYSA-N -1 3 351.387 4.390 20 0 FIADHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001212093891 1099589727 /nfs/dbraw/zinc/58/97/27/1099589727.db2.gz ODJRBWINXUEJCZ-BBRMVZONSA-N -1 3 370.927 4.176 20 0 FIADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(F)c1 ZINC000437323740 1099800135 /nfs/dbraw/zinc/80/01/35/1099800135.db2.gz NMRXBYZFXRCUIU-UHFFFAOYSA-N -1 3 373.453 4.110 20 0 FIADHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(=O)c3ccccc3[n-]2)o1 ZINC000437487315 1099950408 /nfs/dbraw/zinc/95/04/08/1099950408.db2.gz ZBJVOQNRHULQJW-IFXJQAMLSA-N -1 3 364.445 4.297 20 0 FIADHM CCCCc1oc2ccccc2c1CN[C@H](CC(=O)[O-])c1ccncc1 ZINC000516980659 1099966767 /nfs/dbraw/zinc/96/67/67/1099966767.db2.gz BESBZFIJOKMWFR-GOSISDBHSA-N -1 3 352.434 4.476 20 0 FIADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000506070151 1100012704 /nfs/dbraw/zinc/01/27/04/1100012704.db2.gz HJFHFUOAYOPUSA-OAHLLOKOSA-N -1 3 370.861 4.148 20 0 FIADHM CC(C)(C)c1csc(CNCc2cccc([O-])c2Br)n1 ZINC000459405468 1100113326 /nfs/dbraw/zinc/11/33/26/1100113326.db2.gz KIKVRQKYWHEYPP-UHFFFAOYSA-N -1 3 355.301 4.199 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2CN(c2nccs2)C3)c1 ZINC000536715888 1100217416 /nfs/dbraw/zinc/21/74/16/1100217416.db2.gz XTVPZOHBIYQBIK-UHFFFAOYSA-N -1 3 365.458 4.184 20 0 FIADHM CC(C)(CO)[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000459531059 1100281830 /nfs/dbraw/zinc/28/18/30/1100281830.db2.gz ZOTKSBXFXICEKZ-KRWDZBQOSA-N -1 3 364.283 4.004 20 0 FIADHM CN1CCC[C@@H](NCc2cccc([O-])c2Br)c2ccccc21 ZINC000459569865 1100316457 /nfs/dbraw/zinc/31/64/57/1100316457.db2.gz LBOALLSAYFGKTM-OAHLLOKOSA-N -1 3 361.283 4.216 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)c(C)c1 ZINC000438773370 1100908026 /nfs/dbraw/zinc/90/80/26/1100908026.db2.gz MDQHWOYODWOYES-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1C(F)(F)F ZINC000509583429 1100991243 /nfs/dbraw/zinc/99/12/43/1100991243.db2.gz JYKMQSSIDHEBLL-UHFFFAOYSA-N -1 3 371.380 4.140 20 0 FIADHM CCC[C@H](CC1CCCC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648432738 1101328610 /nfs/dbraw/zinc/32/86/10/1101328610.db2.gz GWBUDEQGFMRFQZ-GFCCVEGCSA-N -1 3 365.827 4.456 20 0 FIADHM CC[C@H](C)[C@@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648433756 1101334099 /nfs/dbraw/zinc/33/40/99/1101334099.db2.gz NAIZPCVJPROQTI-SMDDNHRTSA-N -1 3 373.806 4.289 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2ccccc2COC(C)(C)C)[nH][n-]1 ZINC000537118500 1101464648 /nfs/dbraw/zinc/46/46/48/1101464648.db2.gz OQERGXUBHDQITH-UHFFFAOYSA-N -1 3 363.461 4.374 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1C ZINC000518791545 1101575383 /nfs/dbraw/zinc/57/53/83/1101575383.db2.gz BVOZVDIVZFDOJT-UHFFFAOYSA-N -1 3 363.479 4.120 20 0 FIADHM O=S(=O)(CCc1cccs1)[N-]c1ccc(-c2ccco2)cc1F ZINC000518909498 1101710971 /nfs/dbraw/zinc/71/09/71/1101710971.db2.gz QZYJPMBMORGVSL-UHFFFAOYSA-N -1 3 351.424 4.132 20 0 FIADHM C[C@@]1(c2ccccc2)CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000518990847 1101812855 /nfs/dbraw/zinc/81/28/55/1101812855.db2.gz TWPOHWUPIXZHCV-JOCHJYFZSA-N -1 3 362.429 4.203 20 0 FIADHM CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527458922 1101960031 /nfs/dbraw/zinc/96/00/31/1101960031.db2.gz XJCBDJRCIZAUHR-UHFFFAOYSA-N -1 3 369.461 4.176 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1 ZINC000475824341 1101984770 /nfs/dbraw/zinc/98/47/70/1101984770.db2.gz BBSKXEKCSVECTB-UHFFFAOYSA-N -1 3 352.459 4.420 20 0 FIADHM CCOc1cccc([C@@H](C)NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001625967495 1102040548 /nfs/dbraw/zinc/04/05/48/1102040548.db2.gz KFRCIDJFPGJZOJ-GFCCVEGCSA-N -1 3 370.836 4.071 20 0 FIADHM CCOc1cccc([C@H](C)NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001625967498 1102040600 /nfs/dbraw/zinc/04/06/00/1102040600.db2.gz KFRCIDJFPGJZOJ-LBPRGKRZSA-N -1 3 370.836 4.071 20 0 FIADHM Cc1ccccc1C[C@H](CNCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000426641014 1102227305 /nfs/dbraw/zinc/22/73/05/1102227305.db2.gz XCZCPSHWADFCQQ-GOSISDBHSA-N -1 3 366.486 4.152 20 0 FIADHM Cc1cccc(C[C@H](CNCc2csc(-c3cccs3)n2)C(=O)[O-])c1 ZINC000426649328 1102246973 /nfs/dbraw/zinc/24/69/73/1102246973.db2.gz XHSPOVKCSQTFGI-OAHLLOKOSA-N -1 3 372.515 4.213 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)CC(F)(F)F)c2)n1 ZINC000666587747 1102317347 /nfs/dbraw/zinc/31/73/47/1102317347.db2.gz NSSRNNSMAMOLDV-UHFFFAOYSA-N -1 3 367.371 4.329 20 0 FIADHM Cc1onc(-c2ccccc2C)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000476566408 1102371375 /nfs/dbraw/zinc/37/13/75/1102371375.db2.gz DWANQEBTPGTWQB-UHFFFAOYSA-N -1 3 372.428 4.331 20 0 FIADHM O=C([O-])C[C@@H](CNCc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000426658091 1102382249 /nfs/dbraw/zinc/38/22/49/1102382249.db2.gz VGXOBCUDMQUXMJ-KRWDZBQOSA-N -1 3 352.459 4.158 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000473648473 1102391677 /nfs/dbraw/zinc/39/16/77/1102391677.db2.gz MXNXLTJSKPNPON-WMZOPIPTSA-N -1 3 359.416 4.446 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1 ZINC000110591977 1102394074 /nfs/dbraw/zinc/39/40/74/1102394074.db2.gz SNGFAKJMHQTTJS-UHFFFAOYSA-N -1 3 374.506 4.343 20 0 FIADHM O=C([O-])C[C@@H](CNCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000426657410 1102406883 /nfs/dbraw/zinc/40/68/83/1102406883.db2.gz OKKNPPOXGRMMHS-INIZCTEOSA-N -1 3 370.449 4.297 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000121761690 1102450383 /nfs/dbraw/zinc/45/03/83/1102450383.db2.gz UNWKDXREDGZKRN-UHFFFAOYSA-N -1 3 374.440 4.193 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(c4ccccc4)CCCC3)nc2)n1 ZINC000111221506 1102499995 /nfs/dbraw/zinc/49/99/95/1102499995.db2.gz ZRJMQWGFBILGTH-UHFFFAOYSA-N -1 3 374.488 4.318 20 0 FIADHM CCCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](C)c1ccccc1 ZINC000122032224 1102518738 /nfs/dbraw/zinc/51/87/38/1102518738.db2.gz NLPDHDLWKDRIED-HNNXBMFYSA-N -1 3 354.450 4.354 20 0 FIADHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000509664252 1102523723 /nfs/dbraw/zinc/52/37/23/1102523723.db2.gz NDOKBOMLKGGFHQ-CYBMUJFWSA-N -1 3 372.446 4.123 20 0 FIADHM COc1ccc(CC[C@H]2CCCCN2C(=O)c2ccccc2[O-])cc1OC ZINC000101827572 1102731760 /nfs/dbraw/zinc/73/17/60/1102731760.db2.gz JQESIRPCZYHQQQ-QGZVFWFLSA-N -1 3 369.461 4.037 20 0 FIADHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000123041175 1102752311 /nfs/dbraw/zinc/75/23/11/1102752311.db2.gz RITGFRDXAWEBCI-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCNC(=O)c1ccc(C)c(NCc2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000459342812 1102865494 /nfs/dbraw/zinc/86/54/94/1102865494.db2.gz FGOKYJUNNHGDRF-UHFFFAOYSA-N -1 3 362.857 4.115 20 0 FIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1Br ZINC000426696401 1102926474 /nfs/dbraw/zinc/92/64/74/1102926474.db2.gz OMCBRULRLILJNF-CQSZACIVSA-N -1 3 354.269 4.125 20 0 FIADHM Cc1ccc(-c2ncc(CNCc3ccccc3CC(=O)[O-])s2)cc1 ZINC000426691580 1102935376 /nfs/dbraw/zinc/93/53/76/1102935376.db2.gz JGDQTQJRYJALBH-UHFFFAOYSA-N -1 3 352.459 4.035 20 0 FIADHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC(C)C ZINC000426714792 1102937615 /nfs/dbraw/zinc/93/76/15/1102937615.db2.gz FNLYUNQXJQLILC-HXUWFJFHSA-N -1 3 357.450 4.015 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Br)cc1F)c1ccccc1 ZINC000426718075 1102938949 /nfs/dbraw/zinc/93/89/49/1102938949.db2.gz UYPGGZQBCDYEOU-BZNIZROVSA-N -1 3 366.230 4.140 20 0 FIADHM Cc1cc(C)cc([C@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])c1 ZINC000426742042 1102958200 /nfs/dbraw/zinc/95/82/00/1102958200.db2.gz IHRQTKUQPGDFEB-INIZCTEOSA-N -1 3 366.230 4.121 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000426745677 1102961230 /nfs/dbraw/zinc/96/12/30/1102961230.db2.gz HPSNJFZMDOCGRX-AWEZNQCLSA-N -1 3 354.631 4.018 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Br)s1)c1cccc(Cl)c1 ZINC000426747507 1102964928 /nfs/dbraw/zinc/96/49/28/1102964928.db2.gz PVGATNSYGLFMAJ-LBPRGKRZSA-N -1 3 360.660 4.080 20 0 FIADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000426752276 1102969722 /nfs/dbraw/zinc/96/97/22/1102969722.db2.gz BYJLGMGYWOUZMX-BZNIZROVSA-N -1 3 355.331 4.396 20 0 FIADHM C[C@H](C(=O)[O-])[C@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 ZINC000426755032 1102970277 /nfs/dbraw/zinc/97/02/77/1102970277.db2.gz WCRUHLHYQVYHKL-LRDDRELGSA-N -1 3 358.488 4.423 20 0 FIADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1OCCC(C)C ZINC000426785494 1102986287 /nfs/dbraw/zinc/98/62/87/1102986287.db2.gz XQUHOULDZOJHAK-GOSISDBHSA-N -1 3 363.479 4.097 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccsc3)s2)c1 ZINC000426789999 1102991616 /nfs/dbraw/zinc/99/16/16/1102991616.db2.gz ZNTVEEVVZRANMZ-INIZCTEOSA-N -1 3 374.487 4.186 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(C(F)(F)F)c2)c1 ZINC000426788867 1102991773 /nfs/dbraw/zinc/99/17/73/1102991773.db2.gz PTZNTUXPJWRQGH-INIZCTEOSA-N -1 3 353.340 4.020 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1cccc(Cl)c1 ZINC000426805227 1103002325 /nfs/dbraw/zinc/00/23/25/1103002325.db2.gz ZLGZCLDZFPQKNG-CQSZACIVSA-N -1 3 373.758 4.386 20 0 FIADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cnn(-c3ccccc3)c2)cc1 ZINC000426818438 1103013117 /nfs/dbraw/zinc/01/31/17/1103013117.db2.gz RUGSBGIOTNTPQH-NRFANRHFSA-N -1 3 363.461 4.301 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000426826520 1103025121 /nfs/dbraw/zinc/02/51/21/1103025121.db2.gz PGTXYWBNFOVLDX-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM CCc1ccc([C@@H](NCc2cccc(OC(F)(F)F)c2)C(=O)[O-])cc1 ZINC000426825341 1103025669 /nfs/dbraw/zinc/02/56/69/1103025669.db2.gz QAUXTUDZHDQVMZ-MRXNPFEDSA-N -1 3 353.340 4.063 20 0 FIADHM CCOc1cc(CNc2ccccc2O[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000551333381 1103093422 /nfs/dbraw/zinc/09/34/22/1103093422.db2.gz BSNYFHUHBVBJOB-AWEZNQCLSA-N -1 3 363.841 4.224 20 0 FIADHM Cc1cc(C)c(-c2csc([N-]c3ncnc4c3cnn4C)n2)c(C)c1 ZINC000532786464 1103209355 /nfs/dbraw/zinc/20/93/55/1103209355.db2.gz FNMPXMZGWRSJCW-UHFFFAOYSA-N -1 3 350.451 4.156 20 0 FIADHM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3F)cc2s1 ZINC000427116955 1103270255 /nfs/dbraw/zinc/27/02/55/1103270255.db2.gz ZZGSAPMBFFVGHJ-UHFFFAOYSA-N -1 3 356.831 4.198 20 0 FIADHM O=C([O-])C[C@@H]1CCCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000532881219 1103302851 /nfs/dbraw/zinc/30/28/51/1103302851.db2.gz LRPSYLHMENLWTI-HNNXBMFYSA-N -1 3 374.868 4.001 20 0 FIADHM CCCCc1nnc([N-]C(=O)c2cnc(Cc3ccccc3)s2)s1 ZINC000087035700 1103426263 /nfs/dbraw/zinc/42/62/63/1103426263.db2.gz NHWSXKCJJVSBTM-UHFFFAOYSA-N -1 3 358.492 4.180 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(OCC(F)F)cc2)Cc2ccccc2)[n-]1 ZINC000477402239 1103461330 /nfs/dbraw/zinc/46/13/30/1103461330.db2.gz FNYIERIUNOFDFI-LGMDPLHJSA-N -1 3 368.383 4.197 20 0 FIADHM Cc1oc(CN(C)CCCOc2cccc3ccccc32)cc1C(=O)[O-] ZINC000519613421 1103548784 /nfs/dbraw/zinc/54/87/84/1103548784.db2.gz XRRQFTCWBQLOAS-UHFFFAOYSA-N -1 3 353.418 4.340 20 0 FIADHM CC1(C)CC[C@@H]2C[C@H](NC(=O)c3cc(=O)[n-]c(C4CC4)n3)c3cccc1c32 ZINC000519619416 1103745814 /nfs/dbraw/zinc/74/58/14/1103745814.db2.gz WPAGNHSWPIYSLJ-CJNGLKHVSA-N -1 3 363.461 4.089 20 0 FIADHM CC(C)(C)OC1CC(CC(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000579068619 1103884801 /nfs/dbraw/zinc/88/48/01/1103884801.db2.gz ROQMRVSJCFLJTR-UHFFFAOYSA-N -1 3 356.260 4.077 20 0 FIADHM O[C@H](CSc1nnc([N-]c2ccccc2F)s1)c1ccccc1F ZINC000028911116 1103997685 /nfs/dbraw/zinc/99/76/85/1103997685.db2.gz PUSGHBLGHRFIDR-CQSZACIVSA-N -1 3 365.430 4.386 20 0 FIADHM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000188407181 1104340028 /nfs/dbraw/zinc/34/00/28/1104340028.db2.gz QPSOFGVSBNPCKP-UHFFFAOYSA-N -1 3 355.456 4.136 20 0 FIADHM COc1cccc([C@H](OC)c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000665065813 1104861396 /nfs/dbraw/zinc/86/13/96/1104861396.db2.gz LCRFRBKNPCHXJC-SFHVURJKSA-N -1 3 354.406 4.310 20 0 FIADHM CCCCCC[C@](C)(NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000909431670 1104877042 /nfs/dbraw/zinc/87/70/42/1104877042.db2.gz REWLDRNZOQBGCG-QFIPXVFZSA-N -1 3 374.525 4.216 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c([O-])c1 ZINC000190285619 1104891574 /nfs/dbraw/zinc/89/15/74/1104891574.db2.gz LAHDJPLAGGWEBE-CQSZACIVSA-N -1 3 360.479 4.047 20 0 FIADHM CC(C)(C)Oc1cc(F)ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000536418049 1104917085 /nfs/dbraw/zinc/91/70/85/1104917085.db2.gz MFHYVWCZQLURPO-UHFFFAOYSA-N -1 3 359.323 4.130 20 0 FIADHM CC(C)COc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001141622066 1104997148 /nfs/dbraw/zinc/99/71/48/1104997148.db2.gz GBALKMQJPGWAAM-UHFFFAOYSA-N -1 3 364.239 4.442 20 0 FIADHM CCC[C@@H](CCCCNCc1c(F)cccc1Br)C(=O)[O-] ZINC000417635391 1105038956 /nfs/dbraw/zinc/03/89/56/1105038956.db2.gz DXJYPIWFGXCPDW-LBPRGKRZSA-N -1 3 360.267 4.349 20 0 FIADHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc(F)c(F)cc1Cl ZINC000152411699 1105104345 /nfs/dbraw/zinc/10/43/45/1105104345.db2.gz YAGQNMFHFPAXAN-ONEGZZNKSA-N -1 3 367.764 4.485 20 0 FIADHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cc([O-])ccc1Cl ZINC000507999082 1105291663 /nfs/dbraw/zinc/29/16/63/1105291663.db2.gz MORYCZYFOOHTRC-UHFFFAOYSA-N -1 3 367.836 4.498 20 0 FIADHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000151474189 1105336578 /nfs/dbraw/zinc/33/65/78/1105336578.db2.gz WDNRWBJRUXCGKW-CYBMUJFWSA-N -1 3 365.307 4.054 20 0 FIADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(C)(F)F)c1)c1ccc(F)cc1 ZINC000530138525 1106869862 /nfs/dbraw/zinc/86/98/62/1106869862.db2.gz ZOSKYJWDVXODSM-INIZCTEOSA-N -1 3 373.396 4.067 20 0 FIADHM CC(C)O[C@H](CN1CCc2c(F)ccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000530168190 1106874511 /nfs/dbraw/zinc/87/45/11/1106874511.db2.gz JNBZJWGJRVIECJ-HXUWFJFHSA-N -1 3 357.425 4.048 20 0 FIADHM COc1cccc(-c2noc([N-]Cc3coc(-c4ccc(C)cc4)n3)n2)c1 ZINC000301416248 1107023679 /nfs/dbraw/zinc/02/36/79/1107023679.db2.gz FQCSTEUMDMRWHG-UHFFFAOYSA-N -1 3 362.389 4.321 20 0 FIADHM Cc1nc(-c2ccc(N(C)[C@H](C)c3cc(F)ccc3F)nc2)[n-]c(=O)c1C ZINC000301496543 1107048676 /nfs/dbraw/zinc/04/86/76/1107048676.db2.gz BFQXPPCIYMXQRO-CYBMUJFWSA-N -1 3 370.403 4.337 20 0 FIADHM CCS[C@H]1CCCC[C@H]1Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301539953 1107063437 /nfs/dbraw/zinc/06/34/37/1107063437.db2.gz JTFYEBNGXGHKQO-CVEARBPZSA-N -1 3 358.511 4.283 20 0 FIADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000530777656 1107313963 /nfs/dbraw/zinc/31/39/63/1107313963.db2.gz KPIWDMAYQWANNY-UHFFFAOYSA-N -1 3 369.284 4.469 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C(F)F)cc3)nc2)n1 ZINC000302189764 1107333121 /nfs/dbraw/zinc/33/31/21/1107333121.db2.gz YCPZIQHAJMBPIM-UHFFFAOYSA-N -1 3 356.376 4.356 20 0 FIADHM O=c1[n-]c(CN2CC3(CCC3)[C@H]2c2ccco2)nc2c3ccccc3oc21 ZINC000451851475 1107344577 /nfs/dbraw/zinc/34/45/77/1107344577.db2.gz JEPOEMIAOOLXHX-LJQANCHMSA-N -1 3 361.401 4.402 20 0 FIADHM Cc1ccc(O[C@H](C)C(=O)Nc2cc(F)ccc2[O-])c(Br)c1 ZINC000530897310 1107388629 /nfs/dbraw/zinc/38/86/29/1107388629.db2.gz RRQPLOOVAGEFQG-SNVBAGLBSA-N -1 3 368.202 4.008 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCc4c(O)cccc43)nc2)n1 ZINC000302693854 1107409775 /nfs/dbraw/zinc/40/97/75/1107409775.db2.gz FYISPFNWWRDNET-KRWDZBQOSA-N -1 3 362.433 4.002 20 0 FIADHM CSCC[C@H](/N=C/c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000054280309 1107539933 /nfs/dbraw/zinc/53/99/33/1107539933.db2.gz LYWIQDQDBVYIGY-YRIIZNAFSA-N -1 3 360.870 4.002 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000303344701 1107649092 /nfs/dbraw/zinc/64/90/92/1107649092.db2.gz ZGWPQNQDPGECTI-UHFFFAOYSA-N -1 3 368.861 4.189 20 0 FIADHM Cc1nc(C(C)C)sc1C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000523114335 1107852321 /nfs/dbraw/zinc/85/23/21/1107852321.db2.gz GIOJNWSWBIBFHP-UHFFFAOYSA-N -1 3 354.479 4.256 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000523289007 1108063010 /nfs/dbraw/zinc/06/30/10/1108063010.db2.gz UVKSBHICIDJSOY-UHFFFAOYSA-N -1 3 374.805 4.150 20 0 FIADHM O=S(=O)([N-]C(c1cccs1)c1cccs1)c1cc(F)cc(F)c1 ZINC000523417283 1108204187 /nfs/dbraw/zinc/20/41/87/1108204187.db2.gz YVCNOJFBFKZEQR-UHFFFAOYSA-N -1 3 371.455 4.156 20 0 FIADHM CC(C)c1nc2ccccc2n1Cc1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000453186413 1108254383 /nfs/dbraw/zinc/25/43/83/1108254383.db2.gz ZUQVQGKSSVTXIW-UHFFFAOYSA-N -1 3 366.396 4.027 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Cl)cc1F ZINC000531854012 1108273686 /nfs/dbraw/zinc/27/36/86/1108273686.db2.gz YOWXPJNQISJZNU-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM CCCc1noc2nc(-c3ccco3)cc(C(=O)[N-]c3c(C)noc3C)c12 ZINC000523660531 1108415239 /nfs/dbraw/zinc/41/52/39/1108415239.db2.gz AQUPAZPPHOJDFU-UHFFFAOYSA-N -1 3 366.377 4.292 20 0 FIADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000445129001 1108465233 /nfs/dbraw/zinc/46/52/33/1108465233.db2.gz BTOREUXETHQQLP-HNNXBMFYSA-N -1 3 370.346 4.333 20 0 FIADHM [O-]c1cncc(/C=C/c2nc(Cc3nc4cc(Cl)ccc4s3)no2)c1 ZINC000445202830 1108528868 /nfs/dbraw/zinc/52/88/68/1108528868.db2.gz GYLRERGYQRPPHS-DAFODLJHSA-N -1 3 370.821 4.195 20 0 FIADHM Cc1cccc(NC(=O)Cc2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000445318765 1108662258 /nfs/dbraw/zinc/66/22/58/1108662258.db2.gz KBYXBLMDICUMBW-UHFFFAOYSA-N -1 3 359.385 4.085 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1csc(Br)c1)c1ccccc1 ZINC000426755157 1108777677 /nfs/dbraw/zinc/77/76/77/1108777677.db2.gz XBKYBAHMLWUFSC-IINYFYTJSA-N -1 3 354.269 4.062 20 0 FIADHM O=S(=O)([N-][C@H](c1cccs1)c1ccc2c(c1)CCCC2)c1ccco1 ZINC000445675096 1108952027 /nfs/dbraw/zinc/95/20/27/1108952027.db2.gz JRTJRXRVVWOBPC-IBGZPJMESA-N -1 3 373.499 4.288 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)c(Cl)cc1F ZINC000445705277 1108959144 /nfs/dbraw/zinc/95/91/44/1108959144.db2.gz RNSHOPMHLVFXAX-LLVKDONJSA-N -1 3 361.788 4.043 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3cc4ccccc4o3)cc2)n1 ZINC000524467463 1109033763 /nfs/dbraw/zinc/03/37/63/1109033763.db2.gz SUGCJYWLLNJKTJ-UHFFFAOYSA-N -1 3 373.412 4.063 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)cc2)cc(=O)[n-]1 ZINC000525266539 1109324489 /nfs/dbraw/zinc/32/44/89/1109324489.db2.gz LIZBIWHXAIESOT-QGPMSJSTSA-N -1 3 366.465 4.248 20 0 FIADHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1F ZINC000446781578 1109341736 /nfs/dbraw/zinc/34/17/36/1109341736.db2.gz CBLWZZCHQLLAFU-UHFFFAOYSA-N -1 3 367.751 4.147 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000525577498 1109430313 /nfs/dbraw/zinc/43/03/13/1109430313.db2.gz LQJNIWLPTRVUQY-GHMZBOCLSA-N -1 3 368.177 4.175 20 0 FIADHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447275621 1109501471 /nfs/dbraw/zinc/50/14/71/1109501471.db2.gz WIBMZMRZIMRLFC-UHFFFAOYSA-N -1 3 359.378 4.089 20 0 FIADHM CCOC(=O)c1c2ccccc2sc1[N-]C(=O)c1ccc(C(C)=O)o1 ZINC000447348263 1109520553 /nfs/dbraw/zinc/52/05/53/1109520553.db2.gz ANSRJXSGQKVMKF-UHFFFAOYSA-N -1 3 357.387 4.126 20 0 FIADHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000525866585 1109537332 /nfs/dbraw/zinc/53/73/32/1109537332.db2.gz FFHQAIMTYARQBP-UHFFFAOYSA-N -1 3 374.244 4.248 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000447877018 1109665090 /nfs/dbraw/zinc/66/50/90/1109665090.db2.gz GTBHYUJGCIAKKL-IAGOWNOFSA-N -1 3 363.461 4.481 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@H](c1ccccc1)C(F)(F)F ZINC000527038724 1109673805 /nfs/dbraw/zinc/67/38/05/1109673805.db2.gz OQHAEHZEJQSIEY-QGZVFWFLSA-N -1 3 355.331 4.274 20 0 FIADHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527175934 1109709904 /nfs/dbraw/zinc/70/99/04/1109709904.db2.gz KLCCVQBSTVGAHP-RXBISOJRSA-N -1 3 367.470 4.116 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCCC4(CCCC4)C3)cc2)cc(=O)[n-]1 ZINC000527356687 1109748275 /nfs/dbraw/zinc/74/82/75/1109748275.db2.gz KLSSDLAIFLXWDY-UHFFFAOYSA-N -1 3 366.465 4.346 20 0 FIADHM O=C(Nc1ccc(Br)c2ccccc12)c1cccc2n[n-]nc21 ZINC000527362068 1109749343 /nfs/dbraw/zinc/74/93/43/1109749343.db2.gz LCMJRZBPZDMHSD-UHFFFAOYSA-N -1 3 367.206 4.126 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@H](C)CC3)cc2)cc(=O)[n-]1 ZINC000527488370 1109767028 /nfs/dbraw/zinc/76/70/28/1109767028.db2.gz DXFJPCKOWCJZSZ-XJKSGUPXSA-N -1 3 354.454 4.248 20 0 FIADHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1Cl ZINC000007362329 1110296048 /nfs/dbraw/zinc/29/60/48/1110296048.db2.gz WCCSRJWPWRYIHZ-UHFFFAOYSA-N -1 3 366.870 4.024 20 0 FIADHM O=c1[n-]c(Sc2ccc3c(c2)CCC3)nc2c1cnn2-c1ccccc1 ZINC000461462419 1111225735 /nfs/dbraw/zinc/22/57/35/1111225735.db2.gz ZGELTMAICRHYCG-UHFFFAOYSA-N -1 3 360.442 4.161 20 0 FIADHM Cc1nnc([N-]C(=O)c2csc(-c3cccc4ccccc43)n2)s1 ZINC000538689828 1111247473 /nfs/dbraw/zinc/24/74/73/1111247473.db2.gz KJDROTOQYJWEES-UHFFFAOYSA-N -1 3 352.444 4.376 20 0 FIADHM CCc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1[O-] ZINC000538742506 1111274565 /nfs/dbraw/zinc/27/45/65/1111274565.db2.gz UACGBIZSVFTCIM-IBGZPJMESA-N -1 3 363.461 4.209 20 0 FIADHM O=c1cc(C(F)(F)F)nc(CNc2ccc(Oc3ccccn3)cc2)[n-]1 ZINC000538857545 1111321703 /nfs/dbraw/zinc/32/17/03/1111321703.db2.gz FXPFWHYOHWWEKJ-UHFFFAOYSA-N -1 3 362.311 4.000 20 0 FIADHM Cc1c(COC(C)(C)C)cccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000538857591 1111322039 /nfs/dbraw/zinc/32/20/39/1111322039.db2.gz KHDMTLDWUNRXEU-UHFFFAOYSA-N -1 3 369.387 4.437 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC[C@H](C4CCC4)CC3)cc2)n1 ZINC000667199498 1111423869 /nfs/dbraw/zinc/42/38/69/1111423869.db2.gz NRHGWJFDBFZQCD-SAABIXHNSA-N -1 3 365.477 4.290 20 0 FIADHM Cc1cc(Cl)c2ccccc2c1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000462222883 1111548971 /nfs/dbraw/zinc/54/89/71/1111548971.db2.gz HZSCLWQNDWZKCR-UHFFFAOYSA-N -1 3 369.852 4.485 20 0 FIADHM CC[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccc(OC)cc1 ZINC000539397874 1111549340 /nfs/dbraw/zinc/54/93/40/1111549340.db2.gz SMBVXWKUPUWMHD-CQSZACIVSA-N -1 3 364.239 4.296 20 0 FIADHM COc1ccc2sc(C(=O)Nc3cccc(C(C)=O)c3[O-])c(C)c2c1 ZINC000552070183 1111566644 /nfs/dbraw/zinc/56/66/44/1111566644.db2.gz CHDNMJQMCCFCGQ-UHFFFAOYSA-N -1 3 355.415 4.379 20 0 FIADHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(-c3cccs3)o2)c1F ZINC000478077513 1111671698 /nfs/dbraw/zinc/67/16/98/1111671698.db2.gz CZVWHGAMYDOOBG-UHFFFAOYSA-N -1 3 363.341 4.325 20 0 FIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000552348765 1111683018 /nfs/dbraw/zinc/68/30/18/1111683018.db2.gz MROZIMGBNXQKCJ-UHFFFAOYSA-N -1 3 360.826 4.285 20 0 FIADHM CC[C@@H](C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000478267019 1111730880 /nfs/dbraw/zinc/73/08/80/1111730880.db2.gz RXCINEZONFXAAK-CQSZACIVSA-N -1 3 360.479 4.171 20 0 FIADHM Cc1cc(C)n(Cc2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2)n1 ZINC000552780809 1111810624 /nfs/dbraw/zinc/81/06/24/1111810624.db2.gz QHNTYIVVOMJKKG-UHFFFAOYSA-N -1 3 355.825 4.160 20 0 FIADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000552889233 1111839883 /nfs/dbraw/zinc/83/98/83/1111839883.db2.gz MWAYDEJTKJCTAM-SFHVURJKSA-N -1 3 365.429 4.444 20 0 FIADHM O=C(N=c1cc2ccccn2[n-]1)c1sc(C2CC2)nc1-c1ccccc1 ZINC000552999396 1111877822 /nfs/dbraw/zinc/87/78/22/1111877822.db2.gz CJPBCJZFPVLYBE-UHFFFAOYSA-N -1 3 360.442 4.009 20 0 FIADHM O=C([N-]c1ncc(-c2ccccn2)s1)c1c(F)c(F)cc(F)c1F ZINC000553113535 1111910054 /nfs/dbraw/zinc/91/00/54/1111910054.db2.gz CWFJQANZIZFDPC-UHFFFAOYSA-N -1 3 353.300 4.014 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccccc2Cl)CC2CC2)c1 ZINC000553223456 1111931642 /nfs/dbraw/zinc/93/16/42/1111931642.db2.gz IDLWQDAGYUWAHZ-UHFFFAOYSA-N -1 3 372.852 4.056 20 0 FIADHM O=C(OCc1nnc(-c2ccccc2[O-])o1)c1cc(C2CC2)oc1C1CC1 ZINC000923897147 1111936143 /nfs/dbraw/zinc/93/61/43/1111936143.db2.gz HEYHURPYHKWPQV-UHFFFAOYSA-N -1 3 366.373 4.147 20 0 FIADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000479114295 1111947546 /nfs/dbraw/zinc/94/75/46/1111947546.db2.gz IJFMHAABZYWXOE-UHFFFAOYSA-N -1 3 362.263 4.040 20 0 FIADHM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553323633 1111954082 /nfs/dbraw/zinc/95/40/82/1111954082.db2.gz SPMZZCWOFORSPX-UHFFFAOYSA-N -1 3 374.878 4.155 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(F)c(Cl)c1 ZINC000479666927 1112101428 /nfs/dbraw/zinc/10/14/28/1112101428.db2.gz ZFQHHAIDPJYMSE-UHFFFAOYSA-N -1 3 373.609 4.269 20 0 FIADHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000480191770 1112327906 /nfs/dbraw/zinc/32/79/06/1112327906.db2.gz BXURYDUCCQDBPS-UHFFFAOYSA-N -1 3 359.278 4.487 20 0 FIADHM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554416264 1112337142 /nfs/dbraw/zinc/33/71/42/1112337142.db2.gz ICQOPYDHULVJKZ-GOSISDBHSA-N -1 3 356.857 4.271 20 0 FIADHM COC(=O)c1cccc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)c1Cl ZINC000554949206 1112578083 /nfs/dbraw/zinc/57/80/83/1112578083.db2.gz DVRMRQLUBHIQGX-UHFFFAOYSA-N -1 3 370.792 4.342 20 0 FIADHM CN(C)Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1Cl ZINC000481884685 1113122868 /nfs/dbraw/zinc/12/28/68/1113122868.db2.gz DPXSSACXDGHAHN-UHFFFAOYSA-N -1 3 374.893 4.356 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc(Cl)c(F)c1 ZINC000483034963 1113431043 /nfs/dbraw/zinc/43/10/43/1113431043.db2.gz HPBWMFHOZFRWAC-UHFFFAOYSA-N -1 3 373.609 4.269 20 0 FIADHM Cc1c([O-])ccc2c(CSc3nc4cc(F)c(F)cc4[nH]3)cc(=O)oc12 ZINC000027076698 1113497974 /nfs/dbraw/zinc/49/79/74/1113497974.db2.gz LBFGCAZFQHNJHK-UHFFFAOYSA-N -1 3 374.368 4.254 20 0 FIADHM COc1sc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000486104641 1113506203 /nfs/dbraw/zinc/50/62/03/1113506203.db2.gz QMIXWQZZUDKTDV-PLNGDYQASA-N -1 3 353.241 4.063 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccc(C)cc3)nc2)n1 ZINC000486156045 1113515616 /nfs/dbraw/zinc/51/56/16/1113515616.db2.gz KBFLCEZXSMHETD-LJQANCHMSA-N -1 3 360.461 4.457 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)nc2)n1 ZINC000486469381 1113574302 /nfs/dbraw/zinc/57/43/02/1113574302.db2.gz UPAYQWSJWGITAC-LPHOPBHVSA-N -1 3 374.488 4.497 20 0 FIADHM CC(C)c1scnc1NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000908250092 1113626932 /nfs/dbraw/zinc/62/69/32/1113626932.db2.gz LNTDVFFVQCHLPG-UHFFFAOYSA-N -1 3 368.484 4.322 20 0 FIADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000488240017 1113886495 /nfs/dbraw/zinc/88/64/95/1113886495.db2.gz ZCPXTMSYKZIYJD-UHFFFAOYSA-N -1 3 368.458 4.024 20 0 FIADHM O=C(C[C@H]1CCCc2ccccc21)NCc1ccc([O-])c(Br)c1 ZINC000488651572 1113966935 /nfs/dbraw/zinc/96/69/35/1113966935.db2.gz ADKKQVBRJLCXNI-OAHLLOKOSA-N -1 3 374.278 4.281 20 0 FIADHM CCn1cc(C(=O)NCc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000488664043 1113968352 /nfs/dbraw/zinc/96/83/52/1113968352.db2.gz ZHHNXEFTKJRHAW-UHFFFAOYSA-N -1 3 373.250 4.059 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2sccc2c1 ZINC000488667847 1113969011 /nfs/dbraw/zinc/96/90/11/1113969011.db2.gz CABXKQSEVFRHQR-UHFFFAOYSA-N -1 3 362.248 4.299 20 0 FIADHM CC(C)[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000488658607 1113971656 /nfs/dbraw/zinc/97/16/56/1113971656.db2.gz KNCGIQLYWNCRPG-QGZVFWFLSA-N -1 3 362.267 4.211 20 0 FIADHM CC(C)(C)OC1CC(CC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000488759613 1113987492 /nfs/dbraw/zinc/98/74/92/1113987492.db2.gz DACDXZLJPGJZTQ-UHFFFAOYSA-N -1 3 356.260 4.077 20 0 FIADHM CSc1c(F)cccc1[N-]C(=O)c1nn(C(C)C)cc1Br ZINC000912290203 1114079955 /nfs/dbraw/zinc/07/99/55/1114079955.db2.gz NNUICZZOEYRRCT-UHFFFAOYSA-N -1 3 372.263 4.340 20 0 FIADHM C[C@@H]1CCc2onc(C(=O)[N-]c3cc(F)cc(Br)c3F)c2C1 ZINC000489374704 1114097164 /nfs/dbraw/zinc/09/71/64/1114097164.db2.gz GPTNIHZZIIUCCJ-SSDOTTSWSA-N -1 3 371.181 4.092 20 0 FIADHM COc1ccccc1CSc1ccccc1[N-]C(=O)c1snnc1C ZINC000489728416 1114164086 /nfs/dbraw/zinc/16/40/86/1114164086.db2.gz KOLPVCWBLZFYBO-UHFFFAOYSA-N -1 3 371.487 4.400 20 0 FIADHM CC(C)CCn1ncc(NC(=O)c2c[n-]c3ccccc3c2=O)c1C(C)C ZINC000490186824 1114226268 /nfs/dbraw/zinc/22/62/68/1114226268.db2.gz JHOQZMHJODYBGQ-UHFFFAOYSA-N -1 3 366.465 4.146 20 0 FIADHM COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)cc(OC)c1[O-] ZINC000490187904 1114226586 /nfs/dbraw/zinc/22/65/86/1114226586.db2.gz PQLGKAZIFLHFLZ-MGPUTAFESA-N -1 3 369.461 4.331 20 0 FIADHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]c1cncc2ccccc21 ZINC000570993841 1114427017 /nfs/dbraw/zinc/42/70/17/1114427017.db2.gz BLHKIHMEIDGCGA-UHFFFAOYSA-N -1 3 367.257 4.484 20 0 FIADHM Cc1cc(C)c(NC(=O)[C@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000571186461 1114437567 /nfs/dbraw/zinc/43/75/67/1114437567.db2.gz UOFIIHXGZLKHHX-AWEZNQCLSA-N -1 3 371.506 4.245 20 0 FIADHM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000055577189 1114497071 /nfs/dbraw/zinc/49/70/71/1114497071.db2.gz JOOJHWWSULSEBI-BUHFOSPRSA-N -1 3 367.474 4.210 20 0 FIADHM O=C([O-])c1ccccc1CC1CCN(CCOc2ccccc2Cl)CC1 ZINC000571897620 1114544382 /nfs/dbraw/zinc/54/43/82/1114544382.db2.gz VYMVGXZWBNWLNH-UHFFFAOYSA-N -1 3 373.880 4.372 20 0 FIADHM Cc1sc(C(=O)[O-])cc1CN1CCC(c2cccc(F)c2F)CC1 ZINC000572007166 1114597779 /nfs/dbraw/zinc/59/77/79/1114597779.db2.gz QYHQUTPXPZUUCY-UHFFFAOYSA-N -1 3 351.418 4.413 20 0 FIADHM Cc1nc(C)c(Cc2nc([C@@H](c3ccc(Cl)cc3)C(C)C)no2)c(=O)[n-]1 ZINC000572231210 1114624404 /nfs/dbraw/zinc/62/44/04/1114624404.db2.gz BXNGTAXABUIOEB-QGZVFWFLSA-N -1 3 372.856 4.214 20 0 FIADHM CCc1cc2oc(=O)cc(COC(=O)c3ccc([O-])cc3)c2cc1Cl ZINC000045251384 1114630526 /nfs/dbraw/zinc/63/05/26/1114630526.db2.gz JRLQCHDGTSNOKA-UHFFFAOYSA-N -1 3 358.777 4.071 20 0 FIADHM CCOC(=O)c1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1Cl ZINC000590078461 1114886590 /nfs/dbraw/zinc/88/65/90/1114886590.db2.gz URCIFYLNUBNDPI-UHFFFAOYSA-N -1 3 354.189 4.128 20 0 FIADHM C[C@H](Nc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1Cl)c1ccccc1 ZINC000590054992 1114890767 /nfs/dbraw/zinc/89/07/67/1114890767.db2.gz BNINOEOEJRGBJN-LBPRGKRZSA-N -1 3 364.840 4.297 20 0 FIADHM Cc1cc(Br)ccc1CC(=O)Nc1c([O-])cccc1Cl ZINC000572947033 1114943377 /nfs/dbraw/zinc/94/33/77/1114943377.db2.gz OKQLFWORCQVLQN-UHFFFAOYSA-N -1 3 354.631 4.298 20 0 FIADHM O=S(=O)([N-]Cc1cccc(Cl)c1Cl)c1cc(F)ccc1Cl ZINC000590793832 1114976007 /nfs/dbraw/zinc/97/60/07/1114976007.db2.gz SJKIRRZWGKFIDE-UHFFFAOYSA-N -1 3 368.644 4.264 20 0 FIADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000591245938 1115044338 /nfs/dbraw/zinc/04/43/38/1115044338.db2.gz MVQUCDZXKCRZQJ-FQEVSTJZSA-N -1 3 366.848 4.453 20 0 FIADHM O=c1cc(CSCc2nc(-c3cccc(Cl)c3)no2)nc(C2CC2)[n-]1 ZINC000591378695 1115071606 /nfs/dbraw/zinc/07/16/06/1115071606.db2.gz VSDFFHKWVQYNNE-UHFFFAOYSA-N -1 3 374.853 4.196 20 0 FIADHM O=C(OCc1csc(Cc2ccccc2)n1)c1cc(-c2ccco2)[n-]n1 ZINC000058679918 1115307644 /nfs/dbraw/zinc/30/76/44/1115307644.db2.gz XWJVAVMTGQFYPY-UHFFFAOYSA-N -1 3 365.414 4.074 20 0 FIADHM O=C(OCc1csc(Cc2ccccc2)n1)c1cc(-c2ccco2)n[n-]1 ZINC000058679918 1115307646 /nfs/dbraw/zinc/30/76/46/1115307646.db2.gz XWJVAVMTGQFYPY-UHFFFAOYSA-N -1 3 365.414 4.074 20 0 FIADHM O=c1[n-]c(S[C@H]2C=CCCC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000595154614 1115518169 /nfs/dbraw/zinc/51/81/69/1115518169.db2.gz PEDPLKXEVAAMCN-ZDUSSCGKSA-N -1 3 358.854 4.375 20 0 FIADHM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000060161956 1115595012 /nfs/dbraw/zinc/59/50/12/1115595012.db2.gz CXHJAQJPASVBTL-UHFFFAOYSA-N -1 3 368.861 4.021 20 0 FIADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000598027849 1115703015 /nfs/dbraw/zinc/70/30/15/1115703015.db2.gz GYMVVRLTYUJAEF-UHFFFAOYSA-N -1 3 371.886 4.082 20 0 FIADHM Cc1cccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)c3ccccc32)c1[O-] ZINC000598212458 1115712290 /nfs/dbraw/zinc/71/22/90/1115712290.db2.gz UMWOJRUKXFGKMY-MRXNPFEDSA-N -1 3 367.445 4.176 20 0 FIADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000605493045 1115904155 /nfs/dbraw/zinc/90/41/55/1115904155.db2.gz UEUQKLGZGNMHAN-GFCCVEGCSA-N -1 3 365.882 4.335 20 0 FIADHM CCCCOc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1OCC ZINC000606536917 1115953857 /nfs/dbraw/zinc/95/38/57/1115953857.db2.gz AJMWWQSFRVTQOO-UHFFFAOYSA-N -1 3 361.413 4.039 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000606688952 1115964477 /nfs/dbraw/zinc/96/44/77/1115964477.db2.gz MJYXWFVNFIBUMT-AWEZNQCLSA-N -1 3 369.223 4.325 20 0 FIADHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000608033200 1116079075 /nfs/dbraw/zinc/07/90/75/1116079075.db2.gz ZKKKAWONBHTBDT-HOCLYGCPSA-N -1 3 356.274 4.002 20 0 FIADHM O=C(Nc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1)c1ccc(F)cc1 ZINC000533971381 1116093854 /nfs/dbraw/zinc/09/38/54/1116093854.db2.gz YCVLDUKGGCFIOM-UHFFFAOYSA-N -1 3 368.339 4.175 20 0 FIADHM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000173879925 1116096387 /nfs/dbraw/zinc/09/63/87/1116096387.db2.gz MUBYHFCUGQXXBJ-OAHLLOKOSA-N -1 3 368.886 4.283 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Br)cc2cccnc21 ZINC000533971142 1116097992 /nfs/dbraw/zinc/09/79/92/1116097992.db2.gz GAFNWAODHCPBMR-UHFFFAOYSA-N -1 3 361.170 4.094 20 0 FIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(Br)cs2)c(F)c1 ZINC000539643274 1116356965 /nfs/dbraw/zinc/35/69/65/1116356965.db2.gz LPFVDJQLGOVNNO-UHFFFAOYSA-N -1 3 360.179 4.244 20 0 FIADHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000462697182 1116392274 /nfs/dbraw/zinc/39/22/74/1116392274.db2.gz HQYBSWGMLARALG-LBPRGKRZSA-N -1 3 374.289 4.048 20 0 FIADHM O=C([N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1ccc(Cl)o1 ZINC000463160117 1117989433 /nfs/dbraw/zinc/98/94/33/1117989433.db2.gz HZGPKDLNHGVWJD-UHFFFAOYSA-N -1 3 357.584 4.277 20 0 FIADHM CC(=O)c1c(C)[nH]c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1C(C)C ZINC000540417827 1118044900 /nfs/dbraw/zinc/04/49/00/1118044900.db2.gz LTMBWFABMAPOOW-UHFFFAOYSA-N -1 3 364.449 4.022 20 0 FIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cnc(Oc2ccccc2)cn1 ZINC000540449158 1118059422 /nfs/dbraw/zinc/05/94/22/1118059422.db2.gz NIULRZHFEGYIQN-UHFFFAOYSA-N -1 3 361.735 4.453 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](C(C)(C)C)C3)cc2)cc(=O)[n-]1 ZINC000541260310 1118444730 /nfs/dbraw/zinc/44/47/30/1118444730.db2.gz ARRLMJDFXFZQGM-OAHLLOKOSA-N -1 3 354.454 4.058 20 0 FIADHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000302991826 1118749995 /nfs/dbraw/zinc/74/99/95/1118749995.db2.gz XOHNPHBNCFJKHI-UHFFFAOYSA-N -1 3 370.430 4.449 20 0 FIADHM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000312493249 1118791651 /nfs/dbraw/zinc/79/16/51/1118791651.db2.gz PMZLBIGPIUEKSY-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM COc1cccc(-c2nsc([N-]C(=O)c3cc(C)c(F)cc3F)n2)c1 ZINC000176352528 1119271602 /nfs/dbraw/zinc/27/16/02/1119271602.db2.gz QRJUODOESDPOGF-UHFFFAOYSA-N -1 3 361.373 4.053 20 0 FIADHM COc1cc(C(=O)N[C@H](CC2CCC2)c2ccccc2)cc(OC)c1[O-] ZINC000183606518 1119578077 /nfs/dbraw/zinc/57/80/77/1119578077.db2.gz PNGVSXFWVZNXEJ-QGZVFWFLSA-N -1 3 355.434 4.071 20 0 FIADHM O=C(Nc1ncccc1[O-])c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000219342112 1119683683 /nfs/dbraw/zinc/68/36/83/1119683683.db2.gz FSDZEVIXHLXFDF-UHFFFAOYSA-N -1 3 363.398 4.423 20 0 FIADHM C[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1(F)F ZINC000494235835 1119801323 /nfs/dbraw/zinc/80/13/23/1119801323.db2.gz ZFSWUZXXRPMFRK-JTQLQIEISA-N -1 3 365.405 4.134 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)c(Cl)c1Cl ZINC000494320279 1119831407 /nfs/dbraw/zinc/83/14/07/1119831407.db2.gz SLPSEVDEVFBEFJ-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494583600 1119914262 /nfs/dbraw/zinc/91/42/62/1119914262.db2.gz FHICKHMDAOTEMT-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1I ZINC000223099429 1119931082 /nfs/dbraw/zinc/93/10/82/1119931082.db2.gz XVNMFBNXFKDEPN-UHFFFAOYSA-N -1 3 357.166 4.056 20 0 FIADHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(Br)c(F)cc2F)on1 ZINC000190588054 1119942470 /nfs/dbraw/zinc/94/24/70/1119942470.db2.gz IRHLRTJYNDQOQF-ZETCQYMHSA-N -1 3 359.170 4.481 20 0 FIADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cccc(F)c1F ZINC000191842820 1119998377 /nfs/dbraw/zinc/99/83/77/1119998377.db2.gz OZPVJKIZVVRXEB-UHFFFAOYSA-N -1 3 357.341 4.482 20 0 FIADHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000193255743 1120121153 /nfs/dbraw/zinc/12/11/53/1120121153.db2.gz XLQVODKSPOWLFS-UHFFFAOYSA-N -1 3 374.755 4.173 20 0 FIADHM CC(C)CO[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000153321514 1120492935 /nfs/dbraw/zinc/49/29/35/1120492935.db2.gz GPFXWIGNWVMJCR-UHFFFAOYSA-N -1 3 357.237 4.285 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)C(F)=C3CCCC3)nc(=O)c2c1C ZINC000761967720 1120596462 /nfs/dbraw/zinc/59/64/62/1120596462.db2.gz BXNLGGQOCZQDIK-VIFPVBQESA-N -1 3 350.415 4.416 20 0 FIADHM CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000914891301 1120628909 /nfs/dbraw/zinc/62/89/09/1120628909.db2.gz NGTBPVDOEPSZAA-JTQLQIEISA-N -1 3 360.460 4.135 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1O ZINC000762457611 1120910879 /nfs/dbraw/zinc/91/08/79/1120910879.db2.gz YSQIGCZOTHESBB-UHFFFAOYSA-N -1 3 361.463 4.131 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCSc3ccccc32)c1Br ZINC000315622463 1120992109 /nfs/dbraw/zinc/99/21/09/1120992109.db2.gz TUUPUWUSWWYCGN-CYBMUJFWSA-N -1 3 350.281 4.481 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000028328459 1121020168 /nfs/dbraw/zinc/02/01/68/1121020168.db2.gz BGICTFCYJPSEGK-VIFPVBQESA-N -1 3 365.323 4.023 20 0 FIADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000265600504 1121060481 /nfs/dbraw/zinc/06/04/81/1121060481.db2.gz DKEWZYQWQLDKNB-YCRPNKLZSA-N -1 3 367.493 4.040 20 0 FIADHM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472101017 1121181068 /nfs/dbraw/zinc/18/10/68/1121181068.db2.gz ZSHPPVFXKFRUCF-UHFFFAOYSA-N -1 3 354.793 4.410 20 0 FIADHM Cc1ncsc1C(=O)[N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000043268874 1121191292 /nfs/dbraw/zinc/19/12/92/1121191292.db2.gz LTJKMPSCOMPUSQ-UHFFFAOYSA-N -1 3 360.508 4.023 20 0 FIADHM O=C(C[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000472247907 1121201810 /nfs/dbraw/zinc/20/18/10/1121201810.db2.gz TZJRTWGWLGGTLF-LJQANCHMSA-N -1 3 359.425 4.423 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(C)c2)c([O-])c1 ZINC001649025835 1121260822 /nfs/dbraw/zinc/26/08/22/1121260822.db2.gz CTQIEYKXXZENGE-HNNXBMFYSA-N -1 3 357.450 4.379 20 0 FIADHM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000055998915 1121291940 /nfs/dbraw/zinc/29/19/40/1121291940.db2.gz DGZWPMIZXAMQHX-NRFANRHFSA-N -1 3 364.420 4.329 20 0 FIADHM O=[S@@](Cc1nc(-c2c(F)cccc2F)cs1)c1ccc([O-])cc1 ZINC000123415512 1121512183 /nfs/dbraw/zinc/51/21/83/1121512183.db2.gz OIDVHTWLGKRJQK-HSZRJFAPSA-N -1 3 351.399 4.102 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](c3ccccc3)C3CC3)c2)n1 ZINC000123999669 1121653368 /nfs/dbraw/zinc/65/33/68/1121653368.db2.gz WGHVSJSBPVXCAL-OAQYLSRUSA-N -1 3 373.456 4.132 20 0 FIADHM CC[C@H](CNCc1cc(C(=O)[O-])c(C)o1)Oc1ccccc1C(F)(F)F ZINC000902400201 1121662853 /nfs/dbraw/zinc/66/28/53/1121662853.db2.gz OHYBHLYSDVVFTG-GFCCVEGCSA-N -1 3 371.355 4.252 20 0 FIADHM CCCC(=O)Nc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000065618640 1121693949 /nfs/dbraw/zinc/69/39/49/1121693949.db2.gz CVNNWGCMXIAAHZ-UHFFFAOYSA-N -1 3 352.434 4.262 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)s1 ZINC000065813501 1121709238 /nfs/dbraw/zinc/70/92/38/1121709238.db2.gz IKRAGDWVSMBYJL-UHFFFAOYSA-N -1 3 350.856 4.130 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000064343085 1121758400 /nfs/dbraw/zinc/75/84/00/1121758400.db2.gz POLKVXRELDYQJX-UHFFFAOYSA-N -1 3 355.397 4.151 20 0 FIADHM CN(C(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1)c1ccccc1 ZINC000125716934 1121813299 /nfs/dbraw/zinc/81/32/99/1121813299.db2.gz YANSQGRVVDTZGY-UHFFFAOYSA-N -1 3 364.376 4.060 20 0 FIADHM CCc1cccc2c(C3CCN(C(=O)c4c([O-])cccc4O)CC3)c[nH]c21 ZINC000125714334 1121813639 /nfs/dbraw/zinc/81/36/39/1121813639.db2.gz RRQOCIUCCWIMKV-UHFFFAOYSA-N -1 3 364.445 4.161 20 0 FIADHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc2cc(Cl)ccc2[nH]1 ZINC000765794685 1122007138 /nfs/dbraw/zinc/00/71/38/1122007138.db2.gz HPQAYSLKPVOUQR-SECBINFHSA-N -1 3 367.758 4.325 20 0 FIADHM COc1ccc(C(F)(F)C(=O)[N-]Cc2ccc(C(F)(F)F)cc2C)cc1 ZINC001128019349 1122034197 /nfs/dbraw/zinc/03/41/97/1122034197.db2.gz LOFQVJDLTIWWPY-UHFFFAOYSA-N -1 3 373.321 4.431 20 0 FIADHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1cccc(Br)c1 ZINC000128180626 1122200976 /nfs/dbraw/zinc/20/09/76/1122200976.db2.gz BUYRBYSOYGZJME-UHFFFAOYSA-N -1 3 352.203 4.210 20 0 FIADHM Cc1cccc(CO[N-]C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC001168634779 1122248537 /nfs/dbraw/zinc/24/85/37/1122248537.db2.gz UXITVZAROBZWFN-UHFFFAOYSA-N -1 3 366.383 4.226 20 0 FIADHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000055676631 1122261043 /nfs/dbraw/zinc/26/10/43/1122261043.db2.gz JXNOKRHQTOCJKA-UHFFFAOYSA-N -1 3 373.261 4.061 20 0 FIADHM CC[C@H](NCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1ccc(OC)cc1 ZINC000917358451 1122272152 /nfs/dbraw/zinc/27/21/52/1122272152.db2.gz CHRUEIITYSQVHN-KRWDZBQOSA-N -1 3 373.836 4.402 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000497581831 1122294930 /nfs/dbraw/zinc/29/49/30/1122294930.db2.gz FTBUPSHWRPIPKM-UHFFFAOYSA-N -1 3 364.792 4.059 20 0 FIADHM C/C=C/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000917404764 1122296359 /nfs/dbraw/zinc/29/63/59/1122296359.db2.gz XTRVJRYCJKGILA-UMCKCUICSA-N -1 3 370.474 4.175 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000154414666 1122333647 /nfs/dbraw/zinc/33/36/47/1122333647.db2.gz DLSYVRVIQPTPJX-KRWDZBQOSA-N -1 3 353.378 4.075 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000154414666 1122333650 /nfs/dbraw/zinc/33/36/50/1122333650.db2.gz DLSYVRVIQPTPJX-KRWDZBQOSA-N -1 3 353.378 4.075 20 0 FIADHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc([O-])c1F ZINC000128643285 1122365644 /nfs/dbraw/zinc/36/56/44/1122365644.db2.gz RHNSMDBPROUQPQ-UHFFFAOYSA-N -1 3 369.396 4.004 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3sc4ccc(F)cc4c3C)n[n-]2)o1 ZINC000497734720 1122379198 /nfs/dbraw/zinc/37/91/98/1122379198.db2.gz DKGQWDUCHOWEFW-UHFFFAOYSA-N -1 3 356.382 4.288 20 0 FIADHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc([O-])c1F ZINC000128793993 1122412496 /nfs/dbraw/zinc/41/24/96/1122412496.db2.gz XMUAKDGNPVIXTQ-UHFFFAOYSA-N -1 3 373.815 4.168 20 0 FIADHM CCc1c[nH]c(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000129190875 1122553637 /nfs/dbraw/zinc/55/36/37/1122553637.db2.gz XNRJSZRDZWJDBW-VIFPVBQESA-N -1 3 372.475 4.383 20 0 FIADHM Cc1ccc(N2CCCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)cc1 ZINC000918371350 1122624872 /nfs/dbraw/zinc/62/48/72/1122624872.db2.gz WUAFMZWABUQGAU-UHFFFAOYSA-N -1 3 352.478 4.177 20 0 FIADHM CN(C(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1)c1ccccc1 ZINC000129625836 1122652386 /nfs/dbraw/zinc/65/23/86/1122652386.db2.gz BPEYCYPLVZOFST-UHFFFAOYSA-N -1 3 364.376 4.060 20 0 FIADHM Cc1ccc(OCc2nc(CC(=O)Nc3cccc([O-])c3F)cs2)cc1 ZINC000129681623 1122666069 /nfs/dbraw/zinc/66/60/69/1122666069.db2.gz KGVUVIFBTWOXJD-UHFFFAOYSA-N -1 3 372.421 4.056 20 0 FIADHM COCC[C@H]([N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl)c1ccco1 ZINC000556370919 1122847614 /nfs/dbraw/zinc/84/76/14/1122847614.db2.gz DCGFSJMDIHDZOB-HNNXBMFYSA-N -1 3 371.886 4.113 20 0 FIADHM CCC(C)(C)OCc1cccc(NC(=O)c2ccc(C(=O)OC)[n-]2)c1C ZINC000556539749 1122949143 /nfs/dbraw/zinc/94/91/43/1122949143.db2.gz XNHIDOWRZBHPAM-UHFFFAOYSA-N -1 3 358.438 4.067 20 0 FIADHM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1sccc1Cl ZINC000556820874 1123112200 /nfs/dbraw/zinc/11/22/00/1123112200.db2.gz OGWDUBLXYCATTM-UHFFFAOYSA-N -1 3 353.831 4.235 20 0 FIADHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556891593 1123177490 /nfs/dbraw/zinc/17/74/90/1123177490.db2.gz DWNRECYGYPKBCB-OAHLLOKOSA-N -1 3 353.418 4.052 20 0 FIADHM COC(=O)c1c([N-]C(=O)c2scnc2Cl)sc2c1CCCCC2 ZINC000920081091 1123335839 /nfs/dbraw/zinc/33/58/39/1123335839.db2.gz QQMFHCPTFGVHQZ-UHFFFAOYSA-N -1 3 370.883 4.166 20 0 FIADHM COC(=O)c1ccc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)s1 ZINC000499274080 1123403935 /nfs/dbraw/zinc/40/39/35/1123403935.db2.gz MLQHUFFWRRQPDG-UHFFFAOYSA-N -1 3 362.794 4.095 20 0 FIADHM O=C(NCCc1cccc(-c2ccccc2)c1)c1c[n-]c2ccccc2c1=O ZINC000133069307 1123409119 /nfs/dbraw/zinc/40/91/19/1123409119.db2.gz KJFNCGBLWVXEGB-UHFFFAOYSA-N -1 3 368.436 4.168 20 0 FIADHM Cc1c2cc(F)ccc2oc1C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000920844100 1123527989 /nfs/dbraw/zinc/52/79/89/1123527989.db2.gz ABZDORLXQRQIIP-UHFFFAOYSA-N -1 3 351.299 4.428 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1 ZINC000134099824 1123592637 /nfs/dbraw/zinc/59/26/37/1123592637.db2.gz VACNDTUCNWRQBC-UHFFFAOYSA-N -1 3 350.218 4.077 20 0 FIADHM CCO[C@@H](C)c1nc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cs1 ZINC000134111304 1123593682 /nfs/dbraw/zinc/59/36/82/1123593682.db2.gz PNCWIPHJFJYUSH-VIFPVBQESA-N -1 3 374.384 4.146 20 0 FIADHM CCO[C@H](C)c1nc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cs1 ZINC000134111527 1123593706 /nfs/dbraw/zinc/59/37/06/1123593706.db2.gz PNCWIPHJFJYUSH-SECBINFHSA-N -1 3 374.384 4.146 20 0 FIADHM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(SC(F)(F)F)cc1 ZINC000921297714 1123617783 /nfs/dbraw/zinc/61/77/83/1123617783.db2.gz QGDNWSCSUYAWDI-UHFFFAOYSA-N -1 3 369.336 4.378 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000135325269 1123739652 /nfs/dbraw/zinc/73/96/52/1123739652.db2.gz LTBDBMAWWBGBAM-UHFFFAOYSA-N -1 3 365.780 4.032 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000064474962 1123781537 /nfs/dbraw/zinc/78/15/37/1123781537.db2.gz LAYIWQIWKKCVGC-UHFFFAOYSA-N -1 3 363.291 4.098 20 0 FIADHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000609767369 1123826010 /nfs/dbraw/zinc/82/60/10/1123826010.db2.gz AQCAQUNCXALZLB-GHMZBOCLSA-N -1 3 368.351 4.254 20 0 FIADHM COc1ccc(-c2nnc([N-]C(=O)c3csc(C(C)C)n3)s2)cc1 ZINC000136417304 1123892629 /nfs/dbraw/zinc/89/26/29/1123892629.db2.gz JCMSKDXRSWQCSQ-UHFFFAOYSA-N -1 3 360.464 4.046 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000615293059 1123984979 /nfs/dbraw/zinc/98/49/79/1123984979.db2.gz CUGIGTLWEAGEGM-MRVPVSSYSA-N -1 3 366.216 4.311 20 0 FIADHM Cc1c([O-])ccc2c(CNC3(c4ccc(F)cc4F)CCC3)cc(=O)oc12 ZINC000179987789 1124173571 /nfs/dbraw/zinc/17/35/71/1124173571.db2.gz ZQTJOUWHUKQBTK-UHFFFAOYSA-N -1 3 371.383 4.254 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCCC2)c(F)cc1F ZINC001212286765 1124386019 /nfs/dbraw/zinc/38/60/19/1124386019.db2.gz XDVAHHCUZOQHCD-GOSISDBHSA-N -1 3 357.466 4.301 20 0 FIADHM CC(C)CCc1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000617095251 1124443409 /nfs/dbraw/zinc/44/34/09/1124443409.db2.gz HPQONKJHSCHVBZ-UHFFFAOYSA-N -1 3 350.513 4.493 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1 ZINC000007050717 1124858757 /nfs/dbraw/zinc/85/87/57/1124858757.db2.gz IFPYHPPLTDQNEB-ZDUSSCGKSA-N -1 3 363.479 4.327 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)[C@@H]4CCCC[C@H]43)cc2)cc(=O)[n-]1 ZINC000542932819 1124900242 /nfs/dbraw/zinc/90/02/42/1124900242.db2.gz XCAGRJSZRFXIAS-SOVGHPHASA-N -1 3 366.465 4.200 20 0 FIADHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1cn(C)c2ccccc12 ZINC000542935498 1124909594 /nfs/dbraw/zinc/90/95/94/1124909594.db2.gz OEBVWTLHCHGPQF-LLVKDONJSA-N -1 3 373.250 4.389 20 0 FIADHM O=c1nc(CN2CCC[C@@H]3CCC[C@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000253547609 1124937532 /nfs/dbraw/zinc/93/75/32/1124937532.db2.gz ORDPTKZGTVGNEQ-GXTWGEPZSA-N -1 3 355.463 4.421 20 0 FIADHM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C[C@@H](C)C1 ZINC001212450208 1125065701 /nfs/dbraw/zinc/06/57/01/1125065701.db2.gz LNRRRJDJAVIWIL-FICVDOATSA-N -1 3 364.536 4.161 20 0 FIADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000465989853 1125227385 /nfs/dbraw/zinc/22/73/85/1125227385.db2.gz MZRPBUYWGJJVFK-GOSISDBHSA-N -1 3 358.457 4.393 20 0 FIADHM C[C@H]1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)[C@H]1C ZINC000253551344 1125251470 /nfs/dbraw/zinc/25/14/70/1125251470.db2.gz RFTDHZGDOUYEMW-RYUDHWBXSA-N -1 3 357.454 4.433 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000242738613 1125262776 /nfs/dbraw/zinc/26/27/76/1125262776.db2.gz DEMBMFYQVGPUBZ-UHFFFAOYSA-N -1 3 371.289 4.394 20 0 FIADHM CCc1nc(C)c([C@@H](C)N(C)Cc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000182344408 1125426089 /nfs/dbraw/zinc/42/60/89/1125426089.db2.gz LUJOVHXKBPXFHM-GFCCVEGCSA-N -1 3 358.463 4.019 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C ZINC000050534649 221031892 /nfs/dbraw/zinc/03/18/92/221031892.db2.gz DFMXIPNYZSGIPX-UHFFFAOYSA-N -1 3 354.431 4.292 20 0 FIADHM CCN(Cc1cccc(Cl)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000052906563 221039940 /nfs/dbraw/zinc/03/99/40/221039940.db2.gz FOYSLGWIUHDJQP-UHFFFAOYSA-N -1 3 367.836 4.345 20 0 FIADHM O=C(Cc1ccoc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000185391966 567839928 /nfs/dbraw/zinc/83/99/28/567839928.db2.gz CMCKKSABTMTBBC-UHFFFAOYSA-N -1 3 350.399 4.443 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2cccc(Oc3ccncc3)c2)[nH][n-]1 ZINC000602939880 568021463 /nfs/dbraw/zinc/02/14/63/568021463.db2.gz INRQPTHEAZFLMV-UHFFFAOYSA-N -1 3 370.412 4.247 20 0 FIADHM CCOC(=O)c1ncc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)[n-]1 ZINC000617876601 568166466 /nfs/dbraw/zinc/16/64/66/568166466.db2.gz WNSIKVMLDXZRIL-UHFFFAOYSA-N -1 3 369.808 4.159 20 0 FIADHM CCOC(=O)c1nc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)c[n-]1 ZINC000617876601 568166468 /nfs/dbraw/zinc/16/64/68/568166468.db2.gz WNSIKVMLDXZRIL-UHFFFAOYSA-N -1 3 369.808 4.159 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)s1 ZINC000604263249 568236953 /nfs/dbraw/zinc/23/69/53/568236953.db2.gz CHDAUMCQWWOQSG-UHFFFAOYSA-N -1 3 358.492 4.402 20 0 FIADHM CC1(C)CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C(C)(C)CO1 ZINC000604390549 568282004 /nfs/dbraw/zinc/28/20/04/568282004.db2.gz ZRZWKUNHCSFRTG-UHFFFAOYSA-N -1 3 373.478 4.046 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1 ZINC000303553329 568292200 /nfs/dbraw/zinc/29/22/00/568292200.db2.gz WGKAOIQBIGEYMC-UHFFFAOYSA-N -1 3 372.259 4.342 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1[O-] ZINC000604901796 568384999 /nfs/dbraw/zinc/38/49/99/568384999.db2.gz OAQDNYWPUTVLKA-UHFFFAOYSA-N -1 3 351.740 4.420 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1[O-] ZINC000604902219 568385055 /nfs/dbraw/zinc/38/50/55/568385055.db2.gz YGFXRPKWYFRHKX-UHFFFAOYSA-N -1 3 367.836 4.281 20 0 FIADHM Fc1ccc(CSc2n[n-]c(-c3ccccn3)n2)c(Br)c1 ZINC000604933178 568395389 /nfs/dbraw/zinc/39/53/89/568395389.db2.gz HTKSEOZALVKBGZ-UHFFFAOYSA-N -1 3 365.231 4.061 20 0 FIADHM Cc1nc([N-]C(=O)c2scnc2C(F)(F)F)sc1C(F)(F)F ZINC000563158327 568471902 /nfs/dbraw/zinc/47/19/02/568471902.db2.gz KNJPMGDZRQUPJS-UHFFFAOYSA-N -1 3 361.292 4.198 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(Cc2ccccc2F)n1 ZINC000605180257 568605101 /nfs/dbraw/zinc/60/51/01/568605101.db2.gz WQELMMXEFZRCBS-UHFFFAOYSA-N -1 3 362.813 4.484 20 0 FIADHM O=C(Nc1ncc(C2CCCCC2)s1)c1c[n-]c2ccccc2c1=O ZINC000543029249 1125476065 /nfs/dbraw/zinc/47/60/65/1125476065.db2.gz PJSBNHLLTHBZEA-UHFFFAOYSA-N -1 3 353.447 4.285 20 0 FIADHM CCCOc1ccc(-c2csc([N-]c3ncnc4nn(C)cc43)n2)cc1 ZINC000163101870 1125604830 /nfs/dbraw/zinc/60/48/30/1125604830.db2.gz VLSUQTHOQIWLSG-UHFFFAOYSA-N -1 3 366.450 4.019 20 0 FIADHM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000654700580 1079522488 /nfs/dbraw/zinc/52/24/88/1079522488.db2.gz UXEMRMVIPBEXCR-GOSISDBHSA-N -1 3 367.493 4.323 20 0 FIADHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)c2ccccc21 ZINC001625783299 1079677052 /nfs/dbraw/zinc/67/70/52/1079677052.db2.gz QEWUHZZHGPWGFG-JTQLQIEISA-N -1 3 368.799 4.395 20 0 FIADHM O=C([N-]OCc1ccc(C(F)(F)F)cc1)Nc1nc(C2CC2)cs1 ZINC000183227964 1125783891 /nfs/dbraw/zinc/78/38/91/1125783891.db2.gz BEPXRGDTADJZDA-UHFFFAOYSA-N -1 3 357.357 4.293 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1cccc(Br)c1 ZINC000683173453 1079813612 /nfs/dbraw/zinc/81/36/12/1079813612.db2.gz IMBSFQQNIRDSAC-CQSZACIVSA-N -1 3 372.621 4.157 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000683175565 1079816057 /nfs/dbraw/zinc/81/60/57/1079816057.db2.gz XFGRWDZUXLAZBO-AWEZNQCLSA-N -1 3 354.631 4.018 20 0 FIADHM CCSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000610194108 1079898138 /nfs/dbraw/zinc/89/81/38/1079898138.db2.gz NUTXYAGHNLITEQ-CYBMUJFWSA-N -1 3 363.504 4.064 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c([O-])c1 ZINC001626298979 1080119770 /nfs/dbraw/zinc/11/97/70/1080119770.db2.gz HGBFBIKMOVRETH-UHFFFAOYSA-N -1 3 356.328 4.418 20 0 FIADHM CO[C@@](C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1F ZINC000430302223 1080522629 /nfs/dbraw/zinc/52/26/29/1080522629.db2.gz KZUJITMSOWLRRZ-MRXNPFEDSA-N -1 3 357.303 4.050 20 0 FIADHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000471246708 1080576583 /nfs/dbraw/zinc/57/65/83/1080576583.db2.gz WDUMWGQXWVRMFG-CQSZACIVSA-N -1 3 372.440 4.021 20 0 FIADHM CC(C)(C)c1nnc([N-]C(=O)c2cc(C(F)(F)F)cnc2Cl)s1 ZINC000275245880 1080636800 /nfs/dbraw/zinc/63/68/00/1080636800.db2.gz GLPUTTPIIHZFJD-UHFFFAOYSA-N -1 3 364.780 4.155 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)C[C@H]3C[C@@H](C)CC(C)(C)C3)nc21 ZINC001266467327 1080931679 /nfs/dbraw/zinc/93/16/79/1080931679.db2.gz NJWNXCMZDAZLOT-CHWSQXEVSA-N -1 3 357.454 4.141 20 0 FIADHM CCc1cc(=O)[n-]c(CN([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)n1 ZINC001167276400 1080940856 /nfs/dbraw/zinc/94/08/56/1080940856.db2.gz LOAYACOZZYXTCT-LBPRGKRZSA-N -1 3 365.399 4.489 20 0 FIADHM COCc1nc(C(=O)[N-]c2cc(C)ccc2SCC(F)(F)F)co1 ZINC000547840997 1080958382 /nfs/dbraw/zinc/95/83/82/1080958382.db2.gz RKPJYNVMFOYLQT-UHFFFAOYSA-N -1 3 360.357 4.036 20 0 FIADHM Cc1ccc(I)c(Nc2cccc(Cl)c2[O-])n1 ZINC001210218101 1081190535 /nfs/dbraw/zinc/19/05/35/1081190535.db2.gz DMDCJTRWOJJAHX-UHFFFAOYSA-N -1 3 360.582 4.097 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn32)c1 ZINC001167315841 1081343927 /nfs/dbraw/zinc/34/39/27/1081343927.db2.gz YEXQVFWCYJYHGC-UHFFFAOYSA-N -1 3 361.376 4.407 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2c(cccc2OC(F)F)[nH]1 ZINC000536241409 1081482330 /nfs/dbraw/zinc/48/23/30/1081482330.db2.gz VBMPJCDACRBNDF-UHFFFAOYSA-N -1 3 352.724 4.381 20 0 FIADHM O=C([O-])c1cccc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000656100004 1081549507 /nfs/dbraw/zinc/54/95/07/1081549507.db2.gz BXUDLIWUINNSMY-UHFFFAOYSA-N -1 3 351.324 4.062 20 0 FIADHM O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000580253086 1081782263 /nfs/dbraw/zinc/78/22/63/1081782263.db2.gz SLIZGJPMSYVEMV-JKSUJKDBSA-N -1 3 370.207 4.098 20 0 FIADHM Nc1cccc(F)c1N(c1cccc([O-])c1Cl)[C@H]1CC[C@H](O)CC1 ZINC001210859699 1081787847 /nfs/dbraw/zinc/78/78/47/1081787847.db2.gz KQKCUIDRVJTYSG-HAQNSBGRSA-N -1 3 350.821 4.209 20 0 FIADHM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC2(CCSCC2)CC1 ZINC000634695968 1081923637 /nfs/dbraw/zinc/92/36/37/1081923637.db2.gz DKOWHMKIOKPKFL-HNNXBMFYSA-N -1 3 357.878 4.214 20 0 FIADHM CCOc1cc(C(=O)[N-]c2nc3c(s2)C[C@@H](c2ccccc2)CC3)on1 ZINC001125471908 1082126557 /nfs/dbraw/zinc/12/65/57/1082126557.db2.gz YABQUIXPJYNVGZ-ZDUSSCGKSA-N -1 3 369.446 4.055 20 0 FIADHM O=C(NC1CCCCC1)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000581164498 1082354325 /nfs/dbraw/zinc/35/43/25/1082354325.db2.gz PJHUFJITBJTQIA-UHFFFAOYSA-N -1 3 360.404 4.345 20 0 FIADHM Cc1sc2[n-]c(COC[C@@H]3CCCO3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000656492203 1082480352 /nfs/dbraw/zinc/48/03/52/1082480352.db2.gz YYPIGCDBOMGSKJ-HNNXBMFYSA-N -1 3 370.474 4.376 20 0 FIADHM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000558464002 1082498855 /nfs/dbraw/zinc/49/88/55/1082498855.db2.gz OPRYFZUFTYGOIT-IBGZPJMESA-N -1 3 362.477 4.423 20 0 FIADHM CCc1ccc([C@@H]2C[C@H](C)CCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000581374980 1082502307 /nfs/dbraw/zinc/50/23/07/1082502307.db2.gz KKIAWHVGWCGLQR-BEFAXECRSA-N -1 3 357.450 4.392 20 0 FIADHM CCOc1cc(CNCc2c(F)c(F)cc(F)c2F)cc(Cl)c1[O-] ZINC000656504714 1082504322 /nfs/dbraw/zinc/50/43/22/1082504322.db2.gz PKOGNTPXACTBTP-UHFFFAOYSA-N -1 3 363.738 4.291 20 0 FIADHM O=C([N-]c1ccccc1SC1CCCC1)c1cc(Cn2cccn2)on1 ZINC000581525619 1082641425 /nfs/dbraw/zinc/64/14/25/1082641425.db2.gz OXEZGORQBOWWPR-UHFFFAOYSA-N -1 3 368.462 4.206 20 0 FIADHM CCC(C)(C)OCc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1C ZINC000581557313 1082664217 /nfs/dbraw/zinc/66/42/17/1082664217.db2.gz HYVKHXTWCSFMCY-UHFFFAOYSA-N -1 3 369.465 4.326 20 0 FIADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cnn1-c1cc(C)ccc1C ZINC000581577262 1082678140 /nfs/dbraw/zinc/67/81/40/1082678140.db2.gz VQBKEBBPZKANEY-UHFFFAOYSA-N -1 3 355.825 4.409 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656768642 1082759564 /nfs/dbraw/zinc/75/95/64/1082759564.db2.gz LXXUSOUFSGBWIL-ZLIFDBKOSA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000656770045 1082761826 /nfs/dbraw/zinc/76/18/26/1082761826.db2.gz VZWALPFPOWPCEN-SJORKVTESA-N -1 3 372.292 4.400 20 0 FIADHM O=C([O-])[C@H]1Cc2ccccc2CN1CCc1cccc(Cl)c1Cl ZINC000581731866 1082850079 /nfs/dbraw/zinc/85/00/79/1082850079.db2.gz SIEOFKABTCZKTG-MRXNPFEDSA-N -1 3 350.245 4.047 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1 ZINC000023219492 1083156207 /nfs/dbraw/zinc/15/62/07/1083156207.db2.gz YBJBHGVNHRYDNH-OAHLLOKOSA-N -1 3 372.490 4.128 20 0 FIADHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000535655457 1083249538 /nfs/dbraw/zinc/24/95/38/1083249538.db2.gz NZEJPQHVAHEWPB-UHFFFAOYSA-N -1 3 366.653 4.456 20 0 FIADHM Cc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c(C(F)(F)F)o1 ZINC000548438262 1083318672 /nfs/dbraw/zinc/31/86/72/1083318672.db2.gz UXKGJLQVKQAKBR-UHFFFAOYSA-N -1 3 370.718 4.298 20 0 FIADHM Cc1cc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)ncn1 ZINC000093093738 1083440673 /nfs/dbraw/zinc/44/06/73/1083440673.db2.gz XXFBJDDTNWKJKQ-UHFFFAOYSA-N -1 3 362.414 4.020 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)[n-]1 ZINC000431255369 1083559415 /nfs/dbraw/zinc/55/94/15/1083559415.db2.gz LWBUKNTWMWEOAH-UHFFFAOYSA-N -1 3 350.374 4.154 20 0 FIADHM CCc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c1[O-] ZINC000535737123 1083610955 /nfs/dbraw/zinc/61/09/55/1083610955.db2.gz USYZAPUZFBOIFO-NSHDSACASA-N -1 3 359.376 4.190 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cccc(Br)c2Cl)c1[O-] ZINC000584491249 1083938383 /nfs/dbraw/zinc/93/83/83/1083938383.db2.gz CPDVECLOBDBTAH-UHFFFAOYSA-N -1 3 368.614 4.263 20 0 FIADHM COc1cccc(C(=O)Nc2nc(C)c(Cc3ccccc3)s2)c1[O-] ZINC000612662356 1083970591 /nfs/dbraw/zinc/97/05/91/1083970591.db2.gz MJJYZOHSCUNTOR-UHFFFAOYSA-N -1 3 354.431 4.009 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCCC3CCCCC3)cc2)cc(=O)[n-]1 ZINC000612722626 1084010452 /nfs/dbraw/zinc/01/04/52/1084010452.db2.gz OUPAFGVFQSWBMV-UHFFFAOYSA-N -1 3 354.454 4.250 20 0 FIADHM CC[C@H]1CCc2nc(NC(=O)CCCc3ccc([O-])c(F)c3)sc2C1 ZINC001626233194 1084048782 /nfs/dbraw/zinc/04/87/82/1084048782.db2.gz WEINWRBYMRHPJD-LBPRGKRZSA-N -1 3 362.470 4.464 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000685810691 1084120934 /nfs/dbraw/zinc/12/09/34/1084120934.db2.gz NFAUUOGVNASSSW-UHFFFAOYSA-N -1 3 363.816 4.006 20 0 FIADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)c1nnc(-c2ccccc2)o1 ZINC000177674124 1084221673 /nfs/dbraw/zinc/22/16/73/1084221673.db2.gz QEKRGPRUYXXQEQ-OAHLLOKOSA-N -1 3 373.412 4.241 20 0 FIADHM [O-]c1cc(F)cc(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC000472072338 1084239715 /nfs/dbraw/zinc/23/97/15/1084239715.db2.gz DTJCOJSSCTYKPW-MRXNPFEDSA-N -1 3 351.805 4.355 20 0 FIADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000548611408 1084289159 /nfs/dbraw/zinc/28/91/59/1084289159.db2.gz DNIGYHKOAINGST-UHFFFAOYSA-N -1 3 350.802 4.137 20 0 FIADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1 ZINC000014230799 1084314455 /nfs/dbraw/zinc/31/44/55/1084314455.db2.gz IRUJQRYZVJDZNZ-UHFFFAOYSA-N -1 3 369.490 4.030 20 0 FIADHM Cc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([O-])c1 ZINC000053406168 1084333884 /nfs/dbraw/zinc/33/38/84/1084333884.db2.gz MDTWAWJUKHLFSY-UHFFFAOYSA-N -1 3 350.393 4.251 20 0 FIADHM Cc1oc([N-]C(=O)c2sc(Cl)nc2C(F)(F)F)nc1C1CC1 ZINC000892529367 1084414745 /nfs/dbraw/zinc/41/47/45/1084414745.db2.gz ZRITXGQPSHESBL-UHFFFAOYSA-N -1 3 351.737 4.241 20 0 FIADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1nc(-c2ccccc2)no1 ZINC000582171764 1084734129 /nfs/dbraw/zinc/73/41/29/1084734129.db2.gz XZESPVDTNAARHQ-NSHDSACASA-N -1 3 354.435 4.104 20 0 FIADHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(F)ccc1F ZINC000134256746 1085031886 /nfs/dbraw/zinc/03/18/86/1085031886.db2.gz ASQAZAWJLIQRSC-UHFFFAOYSA-N -1 3 351.765 4.389 20 0 FIADHM O=S(=O)([N-]Cc1cccc(Cl)c1)c1cccc(Cl)c1Cl ZINC000007375290 1085227111 /nfs/dbraw/zinc/22/71/11/1085227111.db2.gz UZWDQOGMDVMKPF-UHFFFAOYSA-N -1 3 350.654 4.125 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc([C@@H](C)C(F)(F)F)cc2)n1 ZINC000660749947 1085247613 /nfs/dbraw/zinc/24/76/13/1085247613.db2.gz UUIDXDQYUNIQTQ-GFCCVEGCSA-N -1 3 353.388 4.181 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NCc2c(OC(C)C)ccc3ccccc32)n1 ZINC000660751013 1085249238 /nfs/dbraw/zinc/24/92/38/1085249238.db2.gz HEQFHXLTRBLMCQ-UHFFFAOYSA-N -1 3 365.477 4.456 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)c3ccccc3)c2)n1 ZINC000049302266 1085443362 /nfs/dbraw/zinc/44/33/62/1085443362.db2.gz SQNMNZHFAKJAAP-HNNXBMFYSA-N -1 3 361.445 4.132 20 0 FIADHM CO[C@H](C)CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000184088816 1085462289 /nfs/dbraw/zinc/46/22/89/1085462289.db2.gz XGFMJSCHBBUQBJ-GFCCVEGCSA-N -1 3 356.447 4.423 20 0 FIADHM COc1cccc(-c2nsc([N-]C(=O)c3cc4ccccc4o3)n2)c1 ZINC000077306476 1085601065 /nfs/dbraw/zinc/60/10/65/1085601065.db2.gz CCTNSSDVFSUANU-UHFFFAOYSA-N -1 3 351.387 4.212 20 0 FIADHM CC[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CCCC1 ZINC000652167699 1085734641 /nfs/dbraw/zinc/73/46/41/1085734641.db2.gz AQBVZQDFIGAMKH-KRWDZBQOSA-N -1 3 354.454 4.248 20 0 FIADHM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255556781 1085794419 /nfs/dbraw/zinc/79/44/19/1085794419.db2.gz DCLRQQTUWOVWIA-SEYXRHQNSA-N -1 3 371.437 4.041 20 0 FIADHM [O-]c1cc(F)cc(CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000473143920 1085818411 /nfs/dbraw/zinc/81/84/11/1085818411.db2.gz GWCHOTLEQBXATH-SFHVURJKSA-N -1 3 353.397 4.309 20 0 FIADHM CC(C)c1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)c([O-])c1 ZINC000618114437 1085937382 /nfs/dbraw/zinc/93/73/82/1085937382.db2.gz GKYGLDZVXYBSMP-IBGZPJMESA-N -1 3 355.434 4.103 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3C[C@H](c4ccc(F)cc4)C3)nc2)n1 ZINC000582958187 1085964159 /nfs/dbraw/zinc/96/41/59/1085964159.db2.gz LNCCJHUPRRECFF-RZDIXWSQSA-N -1 3 364.424 4.304 20 0 FIADHM O=C([O-])c1ccc(CN(C2CC2)C2CCCCC2)c(Br)c1 ZINC000652400997 1085999174 /nfs/dbraw/zinc/99/91/74/1085999174.db2.gz DRRBRBJGPMJNLI-UHFFFAOYSA-N -1 3 352.272 4.444 20 0 FIADHM O=C([O-])[C@H](c1ccccc1)N1CCC(c2ccccc2Br)CC1 ZINC000652437261 1086045937 /nfs/dbraw/zinc/04/59/37/1086045937.db2.gz GUPCIJNYKVEMHS-SFHVURJKSA-N -1 3 374.278 4.454 20 0 FIADHM C[C@H](c1ccc(OC(F)(F)F)cc1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470658 1086084240 /nfs/dbraw/zinc/08/42/40/1086084240.db2.gz DSAKOMYBCBTMRO-SJKOYZFVSA-N -1 3 365.351 4.330 20 0 FIADHM O=C([O-])[C@H]1CN(CCc2cccc(Cl)c2Cl)Cc2ccccc21 ZINC000652469669 1086089376 /nfs/dbraw/zinc/08/93/76/1086089376.db2.gz BNKMHNXHAIERKC-HNNXBMFYSA-N -1 3 350.245 4.220 20 0 FIADHM CC[C@H](OCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000652474587 1086090703 /nfs/dbraw/zinc/09/07/03/1086090703.db2.gz OWYFRZJYJNMUJO-IBGZPJMESA-N -1 3 363.404 4.019 20 0 FIADHM O=C([O-])[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2)Cc2ccccc21 ZINC000652471069 1086092328 /nfs/dbraw/zinc/09/23/28/1086092328.db2.gz SGFYZMYQJBTIDJ-QHCPKHFHSA-N -1 3 373.452 4.450 20 0 FIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000583124488 1086234183 /nfs/dbraw/zinc/23/41/83/1086234183.db2.gz BGIINQXMCMQPKA-UHFFFAOYSA-N -1 3 358.423 4.149 20 0 FIADHM CC[C@@H](c1nnc([N-]C(=O)c2cn3ccnc3s2)s1)c1ccccc1 ZINC000188310493 1086307602 /nfs/dbraw/zinc/30/76/02/1086307602.db2.gz DIJBQLSERGBFQU-GFCCVEGCSA-N -1 3 369.475 4.042 20 0 FIADHM O=C([O-])CC[C@@H]1CCCN(Cc2oc3ccccc3c2Br)C1 ZINC000662211822 1086329859 /nfs/dbraw/zinc/32/98/59/1086329859.db2.gz SCVCTLXTUAPPPW-LBPRGKRZSA-N -1 3 366.255 4.272 20 0 FIADHM O=C([O-])CC[C@H]1CCCN(Cc2oc3ccccc3c2Br)C1 ZINC000662211821 1086330177 /nfs/dbraw/zinc/33/01/77/1086330177.db2.gz SCVCTLXTUAPPPW-GFCCVEGCSA-N -1 3 366.255 4.272 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CC(C)(C)c4ccccc43)nc2)n1 ZINC000154867232 1086443427 /nfs/dbraw/zinc/44/34/27/1086443427.db2.gz YDTZSSAJLMVBCN-SFHVURJKSA-N -1 3 360.461 4.229 20 0 FIADHM O=C([N-]NC(=O)c1cccc2ccccc21)c1cc(Cl)ccc1Cl ZINC000005876252 1086586627 /nfs/dbraw/zinc/58/66/27/1086586627.db2.gz DYCKXJCIJKWNLQ-UHFFFAOYSA-N -1 3 359.212 4.221 20 0 FIADHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1C ZINC001211696092 1086587300 /nfs/dbraw/zinc/58/73/00/1086587300.db2.gz ACFRJBOPTQQLRU-GRYCIOLGSA-N -1 3 367.408 4.195 20 0 FIADHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@H]1C ZINC001211696095 1086587378 /nfs/dbraw/zinc/58/73/78/1086587378.db2.gz ACFRJBOPTQQLRU-WOPDTQHZSA-N -1 3 367.408 4.195 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000329163930 1086733713 /nfs/dbraw/zinc/73/37/13/1086733713.db2.gz GOTTUONFAMDONY-IBGZPJMESA-N -1 3 361.445 4.125 20 0 FIADHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000432419796 1086745046 /nfs/dbraw/zinc/74/50/46/1086745046.db2.gz GDGZUIDBEMFJIT-UHFFFAOYSA-N -1 3 353.205 4.300 20 0 FIADHM Cc1ccc(C[C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccn2)cc1 ZINC000583965038 1087065858 /nfs/dbraw/zinc/06/58/58/1087065858.db2.gz OSKCUCVKKSSVBF-HXUWFJFHSA-N -1 3 366.848 4.463 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1ncc(-c2ccccc2)o1 ZINC000151576070 1087157842 /nfs/dbraw/zinc/15/78/42/1087157842.db2.gz ZSGFPLWMZNMCSW-GFCCVEGCSA-N -1 3 362.838 4.035 20 0 FIADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1cc2ccccc2o1 ZINC000151650445 1087190364 /nfs/dbraw/zinc/19/03/64/1087190364.db2.gz MYVNSSHSPPMILY-NSHDSACASA-N -1 3 374.234 4.321 20 0 FIADHM COc1cccc(-c2nsc([N-]C(=O)c3cc(F)c(C)cc3F)n2)c1 ZINC000128121763 1087394278 /nfs/dbraw/zinc/39/42/78/1087394278.db2.gz IKBLLPDOEBWPHA-UHFFFAOYSA-N -1 3 361.373 4.053 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccc(Cl)o2)CC1 ZINC000091933586 1087435948 /nfs/dbraw/zinc/43/59/48/1087435948.db2.gz CAVLTOGZSDDZNF-UHFFFAOYSA-N -1 3 369.248 4.143 20 0 FIADHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000107306369 1087466246 /nfs/dbraw/zinc/46/62/46/1087466246.db2.gz XJWYTKDUCBAZMX-MRVPVSSYSA-N -1 3 366.291 4.103 20 0 FIADHM Cc1ccc(Cl)cc1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000163206530 1087522870 /nfs/dbraw/zinc/52/28/70/1087522870.db2.gz ZZOGSCHPUYGAOY-UHFFFAOYSA-N -1 3 357.624 4.030 20 0 FIADHM O=C(c1ccc([O-])cc1)C1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000685408587 1087561745 /nfs/dbraw/zinc/56/17/45/1087561745.db2.gz RRURHKFOIZMJSU-UPHRSURJSA-N -1 3 357.400 4.279 20 0 FIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000685447852 1087572441 /nfs/dbraw/zinc/57/24/41/1087572441.db2.gz OHLAPDVBGHHRPZ-UHFFFAOYSA-N -1 3 373.396 4.381 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nc2ccccc2n1C(F)F ZINC000685579989 1087632164 /nfs/dbraw/zinc/63/21/64/1087632164.db2.gz SURLTPHXIVFMDP-SECBINFHSA-N -1 3 365.767 4.281 20 0 FIADHM Cc1ccccc1C1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000505103150 1088143494 /nfs/dbraw/zinc/14/34/94/1088143494.db2.gz DJBYXLHCVQDPKW-UHFFFAOYSA-N -1 3 374.484 4.468 20 0 FIADHM CCOC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000177409655 1088302711 /nfs/dbraw/zinc/30/27/11/1088302711.db2.gz OTRWWYXTZYWREO-INIZCTEOSA-N -1 3 355.434 4.073 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000505304576 1088322471 /nfs/dbraw/zinc/32/24/71/1088322471.db2.gz HZGOIXIZBQTTKW-UHFFFAOYSA-N -1 3 370.430 4.073 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505287770 1088325731 /nfs/dbraw/zinc/32/57/31/1088325731.db2.gz OUTYHPHBCVZLTK-UHFFFAOYSA-N -1 3 358.394 4.122 20 0 FIADHM CN(Cc1cc(Cl)ccc1F)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000434339644 1088528896 /nfs/dbraw/zinc/52/88/96/1088528896.db2.gz ACEDRDPYMXEJDB-UHFFFAOYSA-N -1 3 353.796 4.305 20 0 FIADHM O=c1nc([C@@H]2CCCO2)[n-]c2sc3c(c21)CC[C@H](c1ccccc1)C3 ZINC000178983913 1088725069 /nfs/dbraw/zinc/72/50/69/1088725069.db2.gz MMNPVNPCNJNHJE-ZFWWWQNUSA-N -1 3 352.459 4.109 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1(O)CCCCC1 ZINC000179935530 1088762708 /nfs/dbraw/zinc/76/27/08/1088762708.db2.gz AUEOJOJRPQLEMC-UHFFFAOYSA-N -1 3 368.458 4.303 20 0 FIADHM COc1c(F)cc(F)cc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647414 1088765017 /nfs/dbraw/zinc/76/50/17/1088765017.db2.gz OJFWCUQFAHXHHE-UHFFFAOYSA-N -1 3 364.735 4.102 20 0 FIADHM O=C1CCCc2ccc(-c3noc(C=C([O-])c4ccccc4Cl)n3)cc21 ZINC001211647593 1088779074 /nfs/dbraw/zinc/77/90/74/1088779074.db2.gz XNHVKKDEAWODNG-UHFFFAOYSA-N -1 3 366.804 4.334 20 0 FIADHM C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)Oc1ccc(Cl)cc1 ZINC000430111074 1088999997 /nfs/dbraw/zinc/99/99/97/1088999997.db2.gz NPQYBOCMHXGEDK-ZDUSSCGKSA-N -1 3 365.832 4.091 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)c(F)c(F)c3)c2)n1 ZINC000377173606 1089039191 /nfs/dbraw/zinc/03/91/91/1089039191.db2.gz OISMNDSXPOFRPP-UHFFFAOYSA-N -1 3 373.334 4.081 20 0 FIADHM CCOc1c(Cl)cc(CNCc2c(F)ccc([O-])c2F)cc1OC ZINC000510021054 1089370024 /nfs/dbraw/zinc/37/00/24/1089370024.db2.gz PUYCGHSMKSMYRC-UHFFFAOYSA-N -1 3 357.784 4.021 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462049580 1089707257 /nfs/dbraw/zinc/70/72/57/1089707257.db2.gz YIYBGCXJGAAYFR-MRXNPFEDSA-N -1 3 366.248 4.045 20 0 FIADHM CC(C)OCc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000515078439 1089758606 /nfs/dbraw/zinc/75/86/06/1089758606.db2.gz MXZQPDUGAAGYLL-UHFFFAOYSA-N -1 3 364.239 4.332 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)o1 ZINC000479210798 1089845584 /nfs/dbraw/zinc/84/55/84/1089845584.db2.gz BRWUPAHMCMZUMG-UHFFFAOYSA-N -1 3 362.842 4.360 20 0 FIADHM CSCc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000515205506 1089889170 /nfs/dbraw/zinc/88/91/70/1089889170.db2.gz GHDOJLLIIQYYIC-UHFFFAOYSA-N -1 3 352.253 4.270 20 0 FIADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1Br ZINC000756331579 1089909014 /nfs/dbraw/zinc/90/90/14/1089909014.db2.gz AYEKXUSFYDQXCX-HNNXBMFYSA-N -1 3 368.658 4.326 20 0 FIADHM CC(C)(C)n1cc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)nn1 ZINC000187829650 1090060387 /nfs/dbraw/zinc/06/03/87/1090060387.db2.gz VBIZUNACNCABTN-UHFFFAOYSA-N -1 3 374.844 4.296 20 0 FIADHM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266539 1090154175 /nfs/dbraw/zinc/15/41/75/1090154175.db2.gz DZJGBYFCNJJBMU-UHFFFAOYSA-N -1 3 367.158 4.092 20 0 FIADHM O=C(CCCc1ccc(Cl)c(Cl)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266539 1090154181 /nfs/dbraw/zinc/15/41/81/1090154181.db2.gz DZJGBYFCNJJBMU-UHFFFAOYSA-N -1 3 367.158 4.092 20 0 FIADHM O=C([N-]c1cc(Br)c(F)cc1F)c1c(F)cc(F)cc1F ZINC000188155563 1090188868 /nfs/dbraw/zinc/18/88/68/1090188868.db2.gz ZTGAPSIYNUOEKD-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM COc1cccc(SC)c1[N-]C(=O)c1sc(C(F)(F)F)nc1C ZINC000416120573 1090200413 /nfs/dbraw/zinc/20/04/13/1090200413.db2.gz HIVPZYQARJKEPM-UHFFFAOYSA-N -1 3 362.398 4.453 20 0 FIADHM CCc1nc2c(s1)[C@@H](N(C)Cc1cc(=O)oc3cc([O-])ccc13)CCC2 ZINC000182708514 1090368941 /nfs/dbraw/zinc/36/89/41/1090368941.db2.gz OWYTWSNCXAQOJA-INIZCTEOSA-N -1 3 370.474 4.027 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000549466712 1090778759 /nfs/dbraw/zinc/77/87/59/1090778759.db2.gz BQLMGOXNXLJKIL-BCDXTJNWSA-N -1 3 354.425 4.152 20 0 FIADHM Cc1nc(CCCNCc2csc(Cl)c2Cl)sc1C(=O)[O-] ZINC000417535149 1090920305 /nfs/dbraw/zinc/92/03/05/1090920305.db2.gz BIRSFXDRVCLDAY-UHFFFAOYSA-N -1 3 365.307 4.240 20 0 FIADHM C[S@](=O)c1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000417577601 1090930050 /nfs/dbraw/zinc/93/00/50/1090930050.db2.gz WWNRWUOZTBAZNR-SIBVEZHUSA-N -1 3 373.518 4.027 20 0 FIADHM COc1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc(Cl)c1OC ZINC000417592646 1090934348 /nfs/dbraw/zinc/93/43/48/1090934348.db2.gz FLCSCQYWOPFFMF-INIZCTEOSA-N -1 3 363.841 4.053 20 0 FIADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(F)cc2C(F)(F)F)c2ccccc21 ZINC000417616943 1090944538 /nfs/dbraw/zinc/94/45/38/1090944538.db2.gz HUPIXDDOELSVSK-GDBMZVCRSA-N -1 3 353.315 4.247 20 0 FIADHM CC(C)(C)OC(=O)c1cccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417635356 1090946871 /nfs/dbraw/zinc/94/68/71/1090946871.db2.gz WNBZTGBUWWTMDB-MOPGFXCFSA-N -1 3 367.445 4.045 20 0 FIADHM O=C([O-])C[C@H](CNCc1ccccc1OCc1ccccc1)C(F)(F)F ZINC000417626798 1090948133 /nfs/dbraw/zinc/94/81/33/1090948133.db2.gz NQINKBSAYRIINP-MRXNPFEDSA-N -1 3 367.367 4.008 20 0 FIADHM COc1cccc([O-])c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000040817810 1091330550 /nfs/dbraw/zinc/33/05/50/1091330550.db2.gz XWWFANOFZWASPD-CYBMUJFWSA-N -1 3 368.458 4.030 20 0 FIADHM Cc1c(NCc2cc(=O)oc3c(C)c([O-])ccc23)cnn1C1CCCC1 ZINC000194629717 1091399385 /nfs/dbraw/zinc/39/93/85/1091399385.db2.gz ZCGHUUOAZWADPF-UHFFFAOYSA-N -1 3 353.422 4.039 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1 ZINC000432074816 1091607917 /nfs/dbraw/zinc/60/79/17/1091607917.db2.gz HQSZZQKRFFBLTI-UHFFFAOYSA-N -1 3 373.396 4.336 20 0 FIADHM Cc1ccc([O-])c(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000473073172 1091657471 /nfs/dbraw/zinc/65/74/71/1091657471.db2.gz OOZZAZCSEWBLFG-MRXNPFEDSA-N -1 3 368.424 4.405 20 0 FIADHM CO[C@@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCCC1 ZINC001167876219 1091920883 /nfs/dbraw/zinc/92/08/83/1091920883.db2.gz HPLYFGJUINLUOF-QFIPXVFZSA-N -1 3 367.489 4.112 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432611963 1091998336 /nfs/dbraw/zinc/99/83/36/1091998336.db2.gz OHNLPXYONLKSGA-CYBMUJFWSA-N -1 3 371.487 4.329 20 0 FIADHM COC(=O)c1cnc(SCC/C=C\c2ccc(Br)cc2)[n-]1 ZINC000432664279 1092040043 /nfs/dbraw/zinc/04/00/43/1092040043.db2.gz FKWIYPJPEUBTSQ-RQOWECAXSA-N -1 3 367.268 4.154 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1F ZINC000512359925 1092155333 /nfs/dbraw/zinc/15/53/33/1092155333.db2.gz OYCSDGRFFFWWFW-INIZCTEOSA-N -1 3 373.321 4.263 20 0 FIADHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c(Cl)c1 ZINC000432708652 1092158989 /nfs/dbraw/zinc/15/89/89/1092158989.db2.gz HDTIYPWGFAPJFJ-VBKFSLOCSA-N -1 3 352.821 4.215 20 0 FIADHM CC[C@@H](C)OCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000093093758 1092268400 /nfs/dbraw/zinc/26/84/00/1092268400.db2.gz WRRUJFXXADZHRS-GFCCVEGCSA-N -1 3 356.447 4.423 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1Cl ZINC000432766025 1092291490 /nfs/dbraw/zinc/29/14/90/1092291490.db2.gz ASLWUQHMEZPOIW-LBPRGKRZSA-N -1 3 369.870 4.165 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)cc1C(C)C ZINC000432765946 1092291781 /nfs/dbraw/zinc/29/17/81/1092291781.db2.gz AAQXBCMTPILVJI-UHFFFAOYSA-N -1 3 373.478 4.113 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1C(C)C ZINC000432765946 1092291791 /nfs/dbraw/zinc/29/17/91/1092291791.db2.gz AAQXBCMTPILVJI-UHFFFAOYSA-N -1 3 373.478 4.113 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nc(C)cs1 ZINC000429820254 1092320644 /nfs/dbraw/zinc/32/06/44/1092320644.db2.gz AWPHNKQZHGYVLC-LLVKDONJSA-N -1 3 365.307 4.188 20 0 FIADHM CSc1nc(NC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)n[n-]1 ZINC000442034640 1092396152 /nfs/dbraw/zinc/39/61/52/1092396152.db2.gz ZEZQCXKPVFMYHD-UHFFFAOYSA-N -1 3 368.249 4.081 20 0 FIADHM O=S(=O)([N-]c1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000521105086 1092487688 /nfs/dbraw/zinc/48/76/88/1092487688.db2.gz CGUMGJQVIWLYDP-UHFFFAOYSA-N -1 3 364.623 4.042 20 0 FIADHM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442235412 1092528277 /nfs/dbraw/zinc/52/82/77/1092528277.db2.gz JIENHPYOPKDOFQ-UHFFFAOYSA-N -1 3 373.808 4.258 20 0 FIADHM Clc1cc2nc([N-][C@@H](c3nc[nH]n3)c3ccccc3)oc2c(Cl)c1 ZINC000432833567 1092580688 /nfs/dbraw/zinc/58/06/88/1092580688.db2.gz DLPPOZJPEHIQNK-CYBMUJFWSA-N -1 3 360.204 4.454 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc(C(F)(F)F)nc3C)[nH][n-]2)c1 ZINC000512534977 1092671163 /nfs/dbraw/zinc/67/11/63/1092671163.db2.gz AUHPUXGLDNZJNE-UHFFFAOYSA-N -1 3 374.366 4.090 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C ZINC000512568366 1092941682 /nfs/dbraw/zinc/94/16/82/1092941682.db2.gz IRMBTKCXNQRBRD-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3cc(C)c(O)c(C)c3)cc2)cc(=O)[n-]1 ZINC000443147323 1092967070 /nfs/dbraw/zinc/96/70/70/1092967070.db2.gz QYHROHRWIMZVPA-UHFFFAOYSA-N -1 3 364.405 4.124 20 0 FIADHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)o1 ZINC000521916463 1092977873 /nfs/dbraw/zinc/97/78/73/1092977873.db2.gz BSRVHAFFJHERRN-WFASDCNBSA-N -1 3 374.487 4.005 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000191171276 1093087413 /nfs/dbraw/zinc/08/74/13/1093087413.db2.gz LULATMRCXUJBFW-UHFFFAOYSA-N -1 3 358.246 4.305 20 0 FIADHM O=C(CCCOCc1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000522108921 1093091088 /nfs/dbraw/zinc/09/10/88/1093091088.db2.gz HNMUDWIDWVMVJG-UHFFFAOYSA-N -1 3 364.239 4.090 20 0 FIADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000443410540 1093099784 /nfs/dbraw/zinc/09/97/84/1093099784.db2.gz NQDQDJWFNZZFQO-UHFFFAOYSA-N -1 3 372.412 4.189 20 0 FIADHM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1cc([O-])ccc1Cl ZINC000550525409 1093296030 /nfs/dbraw/zinc/29/60/30/1093296030.db2.gz FULUIAZIGQHVOG-UHFFFAOYSA-N -1 3 353.809 4.361 20 0 FIADHM C[C@@H]1CN(Cc2ccccc2NCc2cccc([O-])c2Cl)C[C@@H](C)O1 ZINC000645165884 1093343692 /nfs/dbraw/zinc/34/36/92/1093343692.db2.gz APBUHCYCIATYDN-HUUCEWRRSA-N -1 3 360.885 4.267 20 0 FIADHM CCc1ccc(C(=O)NCCSc2c(C)[nH]c3ccccc32)c([O-])c1 ZINC001648961395 1093484562 /nfs/dbraw/zinc/48/45/62/1093484562.db2.gz HUNKGWLTMVDZPC-UHFFFAOYSA-N -1 3 354.475 4.266 20 0 FIADHM Cc1ccccc1CN(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509859046 1093615961 /nfs/dbraw/zinc/61/59/61/1093615961.db2.gz AEJYLKZOALQHKN-UHFFFAOYSA-N -1 3 362.433 4.130 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000509871066 1093656179 /nfs/dbraw/zinc/65/61/79/1093656179.db2.gz HKVDJDNSLCXMQR-CQSZACIVSA-N -1 3 362.433 4.383 20 0 FIADHM CCC(CC)CN(CC)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000509885481 1093680417 /nfs/dbraw/zinc/68/04/17/1093680417.db2.gz YLRIYAZYZJZZNW-UHFFFAOYSA-N -1 3 356.470 4.448 20 0 FIADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H]1OCCc2sccc21 ZINC000582138341 1093791711 /nfs/dbraw/zinc/79/17/11/1093791711.db2.gz JAOAPUHBURGYEB-CWTRNNRKSA-N -1 3 353.443 4.039 20 0 FIADHM [O-]c1ccc(F)c(CNCc2ccnc(Oc3ccccc3F)c2)c1F ZINC000513298526 1094056159 /nfs/dbraw/zinc/05/61/59/1094056159.db2.gz MIPABRNWOAAMDM-UHFFFAOYSA-N -1 3 360.335 4.287 20 0 FIADHM COc1cccc(C2(F)CCN(Cc3c(F)ccc([O-])c3F)CC2)c1 ZINC000513461413 1094148813 /nfs/dbraw/zinc/14/88/13/1094148813.db2.gz MCSXQKWEKXTXED-UHFFFAOYSA-N -1 3 351.368 4.140 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCCC4(CCCC4)CC3)nc2)n1 ZINC000664207361 1094211479 /nfs/dbraw/zinc/21/14/79/1094211479.db2.gz YUSULOYQIITURR-UHFFFAOYSA-N -1 3 352.482 4.357 20 0 FIADHM COc1ccc(-c2cnc(CSCc3cc(=O)[n-]c(C4CC4)n3)o2)cc1 ZINC000419580116 1094511472 /nfs/dbraw/zinc/51/14/72/1094511472.db2.gz AUXQFWPLVHOVPI-UHFFFAOYSA-N -1 3 369.446 4.157 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000013998030 1094583277 /nfs/dbraw/zinc/58/32/77/1094583277.db2.gz QERSTWPZFZWOLX-UHFFFAOYSA-N -1 3 360.479 4.089 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccccc1OC(F)(F)F ZINC000102748809 1094674450 /nfs/dbraw/zinc/67/44/50/1094674450.db2.gz SAGKONYPJCEKKI-UHFFFAOYSA-N -1 3 369.723 4.179 20 0 FIADHM C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000329010214 1094712405 /nfs/dbraw/zinc/71/24/05/1094712405.db2.gz OJJZNXZZVDIGSN-IPJJNNNSSA-N -1 3 353.462 4.091 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccc(C(F)(F)F)c(F)c3C)n[n-]2)o1 ZINC000443800364 1095018816 /nfs/dbraw/zinc/01/88/16/1095018816.db2.gz LGLPUGUICIGPGG-UHFFFAOYSA-N -1 3 368.290 4.092 20 0 FIADHM O=c1[n-]c(CN2CCC[C@@H](CC(F)(F)F)C2)nc2c3ccccc3oc21 ZINC000420957586 1095199930 /nfs/dbraw/zinc/19/99/30/1095199930.db2.gz ZSJRUWINBPDTAF-NSHDSACASA-N -1 3 365.355 4.246 20 0 FIADHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1cc(F)ccc1F ZINC000444075824 1095673467 /nfs/dbraw/zinc/67/34/67/1095673467.db2.gz QEZYLXXFMNVJSS-CQSZACIVSA-N -1 3 357.447 4.116 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1cc(F)ccc1F ZINC000444075823 1095673490 /nfs/dbraw/zinc/67/34/90/1095673490.db2.gz QEZYLXXFMNVJSS-AWEZNQCLSA-N -1 3 357.447 4.116 20 0 FIADHM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cc(F)cc2n[n-]nc21 ZINC000503313996 1096354431 /nfs/dbraw/zinc/35/44/31/1096354431.db2.gz JPRRIGSWYXLRSY-UHFFFAOYSA-N -1 3 366.327 4.281 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](C4CCCCC4)C3)nc2)n1 ZINC000664327964 1096495216 /nfs/dbraw/zinc/49/52/16/1096495216.db2.gz OEYYGJYKTOOHCX-QGZVFWFLSA-N -1 3 352.482 4.213 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H](c3ccccc3)C3CC3)cc2)cc(=O)[n-]1 ZINC000504136151 1096685721 /nfs/dbraw/zinc/68/57/21/1096685721.db2.gz MYOBPIIMWSTSTP-OAQYLSRUSA-N -1 3 374.444 4.430 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCc2sccc21 ZINC000532916598 1098605740 /nfs/dbraw/zinc/60/57/40/1098605740.db2.gz MJCPPMWVBSXNIE-NSHDSACASA-N -1 3 352.253 4.275 20 0 FIADHM CCOC(=O)c1ccc(OC)c(Nc2cccc([O-])c2Br)c1 ZINC001211980719 1098678407 /nfs/dbraw/zinc/67/84/07/1098678407.db2.gz AQABSXNYDULRLE-UHFFFAOYSA-N -1 3 366.211 4.084 20 0 FIADHM Cc1ccc(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)c([O-])c1 ZINC000436482311 1099043625 /nfs/dbraw/zinc/04/36/25/1099043625.db2.gz HWMVWBBPSXIDKS-UHFFFAOYSA-N -1 3 373.412 4.180 20 0 FIADHM CCc1ccc(C(=O)N2CCC(F)(c3cccc(OC)c3)CC2)c([O-])c1 ZINC000436495044 1099057561 /nfs/dbraw/zinc/05/75/61/1099057561.db2.gz NFMOYDZPMOJOEG-UHFFFAOYSA-N -1 3 357.425 4.064 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c1[O-] ZINC000436533269 1099088873 /nfs/dbraw/zinc/08/88/73/1099088873.db2.gz YAOBTRFAEHXGNN-UHFFFAOYSA-N -1 3 359.275 4.156 20 0 FIADHM O=c1nc(CN(Cc2cccc(F)c2)C2CCCC2)[n-]c2ccsc21 ZINC000533486518 1099107982 /nfs/dbraw/zinc/10/79/82/1099107982.db2.gz KBACMIIPLDCWTE-UHFFFAOYSA-N -1 3 357.454 4.481 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2C)c1[O-] ZINC000436557253 1099113330 /nfs/dbraw/zinc/11/33/30/1099113330.db2.gz SXZJCHHFCNQVOC-UHFFFAOYSA-N -1 3 354.450 4.342 20 0 FIADHM COc1cc(-c2nc3cc(Cl)ccc3[nH]2)cc(Br)c1[O-] ZINC000436559036 1099113448 /nfs/dbraw/zinc/11/34/48/1099113448.db2.gz YGIXMJYVWRLRDF-UHFFFAOYSA-N -1 3 353.603 4.360 20 0 FIADHM O=C(N[C@H]1CCOC2(CCC2)C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436592884 1099125551 /nfs/dbraw/zinc/12/55/51/1099125551.db2.gz AJTXGZZAEYTBAA-IBGZPJMESA-N -1 3 365.473 4.009 20 0 FIADHM CC(C)c1nn(C)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436596148 1099129098 /nfs/dbraw/zinc/12/90/98/1099129098.db2.gz OOGLQEFFTIULBR-UHFFFAOYSA-N -1 3 365.433 4.080 20 0 FIADHM COc1ncccc1Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436600116 1099139228 /nfs/dbraw/zinc/13/92/28/1099139228.db2.gz ZYTPXRGGEOEKPH-UHFFFAOYSA-N -1 3 373.412 4.027 20 0 FIADHM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436604405 1099140373 /nfs/dbraw/zinc/14/03/73/1099140373.db2.gz CKXZBUKKAJZGEP-FXAWDEMLSA-N -1 3 367.489 4.139 20 0 FIADHM C[C@H](C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)n1cccn1 ZINC000436603545 1099140738 /nfs/dbraw/zinc/14/07/38/1099140738.db2.gz LVIQCJMBRORZAP-GFCCVEGCSA-N -1 3 364.430 4.065 20 0 FIADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc2c(c1)OCO2 ZINC000436610187 1099144562 /nfs/dbraw/zinc/14/45/62/1099144562.db2.gz SNRATKGRSWQENX-UHFFFAOYSA-N -1 3 363.369 4.190 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC2(CCC2(F)F)C1 ZINC000436613250 1099148249 /nfs/dbraw/zinc/14/82/49/1099148249.db2.gz TZZJXIBSWLPAOX-UHFFFAOYSA-N -1 3 357.400 4.049 20 0 FIADHM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436627301 1099156021 /nfs/dbraw/zinc/15/60/21/1099156021.db2.gz SBEZNPRUWSQNPU-VIFPVBQESA-N -1 3 352.217 4.164 20 0 FIADHM C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ccc(O)cc1[O-] ZINC000436636934 1099164555 /nfs/dbraw/zinc/16/45/55/1099164555.db2.gz SXNMQXGWGSRDRZ-HJPURHCSSA-N -1 3 373.452 4.317 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2cc(CCc3ccccc3)ccn2)cc1[O-] ZINC000436656668 1099178995 /nfs/dbraw/zinc/17/89/95/1099178995.db2.gz NKTHLSAITXJNIC-UHFFFAOYSA-N -1 3 360.413 4.027 20 0 FIADHM CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1[O-] ZINC000436668079 1099197099 /nfs/dbraw/zinc/19/70/99/1099197099.db2.gz WRBXHRWATKZLPP-GFCCVEGCSA-N -1 3 360.479 4.316 20 0 FIADHM C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436661950 1099208373 /nfs/dbraw/zinc/20/83/73/1099208373.db2.gz XTGFOLRBLFWVAQ-HNNXBMFYSA-N -1 3 366.486 4.126 20 0 FIADHM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000436682277 1099217354 /nfs/dbraw/zinc/21/73/54/1099217354.db2.gz UWCGBFGMMITOIO-LLVKDONJSA-N -1 3 356.422 4.454 20 0 FIADHM COc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)cc(OC)c1[O-] ZINC000436691911 1099224538 /nfs/dbraw/zinc/22/45/38/1099224538.db2.gz UWTOZWZZDZGDAS-UHFFFAOYSA-N -1 3 367.188 4.433 20 0 FIADHM COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436708597 1099226409 /nfs/dbraw/zinc/22/64/09/1099226409.db2.gz SGAWVJKUMSRNCS-RLLQIKCJSA-N -1 3 351.446 4.199 20 0 FIADHM CCCCOCCOCc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436712437 1099244759 /nfs/dbraw/zinc/24/47/59/1099244759.db2.gz AWHCFZIMJRIRDJ-UHFFFAOYSA-N -1 3 357.450 4.286 20 0 FIADHM O=C(c1ccccc1[O-])N1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000436728676 1099268416 /nfs/dbraw/zinc/26/84/16/1099268416.db2.gz NJFIXHDXAYULKL-UHFFFAOYSA-N -1 3 370.861 4.368 20 0 FIADHM COc1ccc(F)cc1-c1csc(NC(=O)c2cccc(C)c2[O-])n1 ZINC000436731342 1099269743 /nfs/dbraw/zinc/26/97/43/1099269743.db2.gz KNAKQMYJGMTEIU-UHFFFAOYSA-N -1 3 358.394 4.224 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(F)c3ccccc32)c1 ZINC000436748802 1099283699 /nfs/dbraw/zinc/28/36/99/1099283699.db2.gz HGCFYPGPRDRRFY-LBPRGKRZSA-N -1 3 366.392 4.134 20 0 FIADHM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc(C)cc2[O-])C3)cs1 ZINC000436766138 1099305799 /nfs/dbraw/zinc/30/57/99/1099305799.db2.gz QZXVYVKFSRAPLH-UHFFFAOYSA-N -1 3 370.499 4.393 20 0 FIADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](CC)c1ccccc1 ZINC000436785037 1099314706 /nfs/dbraw/zinc/31/47/06/1099314706.db2.gz ZIZNKFJCKXZIJZ-KRWDZBQOSA-N -1 3 357.450 4.413 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC[C@H]1C1CCOCC1 ZINC000436816543 1099328136 /nfs/dbraw/zinc/32/81/36/1099328136.db2.gz OWUPRKBQCGTCCV-NRFANRHFSA-N -1 3 365.473 4.014 20 0 FIADHM CCc1ccc(C(=O)N2CCC(=Cc3cccc(OC)c3)CC2)c([O-])c1 ZINC000436832049 1099343180 /nfs/dbraw/zinc/34/31/80/1099343180.db2.gz RLWHFGPLMVMYLG-UHFFFAOYSA-N -1 3 351.446 4.283 20 0 FIADHM CSC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436849463 1099367216 /nfs/dbraw/zinc/36/72/16/1099367216.db2.gz FBRPIWCKBOWJTP-GOSISDBHSA-N -1 3 355.503 4.198 20 0 FIADHM CSC[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436851357 1099368601 /nfs/dbraw/zinc/36/86/01/1099368601.db2.gz DEMQJCHXMNNHPV-LJQANCHMSA-N -1 3 369.530 4.393 20 0 FIADHM [O-]c1ccc(Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(F)c1F ZINC001212007545 1099373951 /nfs/dbraw/zinc/37/39/51/1099373951.db2.gz MOPNBJVSVKLFQL-UHFFFAOYSA-N -1 3 374.309 4.269 20 0 FIADHM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001212018712 1099378506 /nfs/dbraw/zinc/37/85/06/1099378506.db2.gz XBQWSIPSLGNJEZ-RYUDHWBXSA-N -1 3 372.943 4.444 20 0 FIADHM CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436880143 1099395578 /nfs/dbraw/zinc/39/55/78/1099395578.db2.gz IZNKNRYNVYJPGY-QGZVFWFLSA-N -1 3 365.433 4.447 20 0 FIADHM CC(C)c1ccc(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)c([O-])c1 ZINC000436891783 1099409754 /nfs/dbraw/zinc/40/97/54/1099409754.db2.gz HSXVDLWBOWKBFM-UHFFFAOYSA-N -1 3 360.417 4.342 20 0 FIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000436909011 1099416986 /nfs/dbraw/zinc/41/69/86/1099416986.db2.gz NXCJXGAAANXMEO-HNNXBMFYSA-N -1 3 364.214 4.271 20 0 FIADHM Cc1ccc(-c2nc(CCc3ccccc3Br)no2)c([O-])c1 ZINC000436936305 1099447959 /nfs/dbraw/zinc/44/79/59/1099447959.db2.gz AWEJZRZWFPHIRB-UHFFFAOYSA-N -1 3 359.223 4.298 20 0 FIADHM CCC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436943670 1099455238 /nfs/dbraw/zinc/45/52/38/1099455238.db2.gz KPBKVYVTRQZLRR-INIZCTEOSA-N -1 3 351.406 4.022 20 0 FIADHM CC[C@](C)(OC)c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436953810 1099471404 /nfs/dbraw/zinc/47/14/04/1099471404.db2.gz BRXYOTYLMQTZCP-FQEVSTJZSA-N -1 3 354.406 4.293 20 0 FIADHM Cc1cc(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)ccn1 ZINC000436957508 1099475344 /nfs/dbraw/zinc/47/53/44/1099475344.db2.gz VWGYRYDRGVYZBL-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)c([O-])c1 ZINC000436971847 1099479501 /nfs/dbraw/zinc/47/95/01/1099479501.db2.gz LREKFQVOISGUQO-QGZVFWFLSA-N -1 3 369.461 4.209 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC=C(c3ccccc3F)C2)c([O-])c1 ZINC000436988376 1099491935 /nfs/dbraw/zinc/49/19/35/1099491935.db2.gz ORFZSSRLPHZCCS-UHFFFAOYSA-N -1 3 355.409 4.250 20 0 FIADHM CC1(C)Cc2ccc(-c3nc(CSCc4ccco4)no3)c([O-])c2O1 ZINC000436998293 1099501723 /nfs/dbraw/zinc/50/17/23/1099501723.db2.gz YKOALWIZHLKNSA-UHFFFAOYSA-N -1 3 358.419 4.182 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1 ZINC000505979210 1099656218 /nfs/dbraw/zinc/65/62/18/1099656218.db2.gz NDKARYKDYKAPBE-UHFFFAOYSA-N -1 3 364.367 4.085 20 0 FIADHM CCCn1c(C)nnc1CSc1nnc([N-]c2ccccc2F)s1 ZINC000162239060 1099664801 /nfs/dbraw/zinc/66/48/01/1099664801.db2.gz LJRYBXSYKMMYQC-UHFFFAOYSA-N -1 3 364.475 4.023 20 0 FIADHM CC(C)Oc1ccccc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000615091073 1099679479 /nfs/dbraw/zinc/67/94/79/1099679479.db2.gz DMTKRGMCHTUQAL-UHFFFAOYSA-N -1 3 353.462 4.274 20 0 FIADHM O=C([O-])c1cccc(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000263463044 1099792665 /nfs/dbraw/zinc/79/26/65/1099792665.db2.gz JGTFHXNQSDRUFE-OAHLLOKOSA-N -1 3 366.244 4.345 20 0 FIADHM O=C(CSCc1cc(=O)[n-]c(C2CC2)n1)Nc1cccc2ccccc21 ZINC000516857378 1099882118 /nfs/dbraw/zinc/88/21/18/1099882118.db2.gz CWKOZRQYKREHGJ-UHFFFAOYSA-N -1 3 365.458 4.085 20 0 FIADHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C)c1 ZINC000517122914 1100090855 /nfs/dbraw/zinc/09/08/55/1100090855.db2.gz OJEYGHCYFRYQTM-UHFFFAOYSA-N -1 3 355.406 4.253 20 0 FIADHM [O-]c1cccc(CNCc2ccccc2OC2CCC2)c1Br ZINC000459407583 1100128082 /nfs/dbraw/zinc/12/80/82/1100128082.db2.gz IABORQSIEISKKT-UHFFFAOYSA-N -1 3 362.267 4.376 20 0 FIADHM Cc1ccc(OC(F)F)c(CNCc2cccc([O-])c2Br)c1 ZINC000459429340 1100165719 /nfs/dbraw/zinc/16/57/19/1100165719.db2.gz CMNJLRFOWDTGPD-UHFFFAOYSA-N -1 3 372.209 4.354 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(OCc3cscn3)c2)c1 ZINC000536686172 1100179388 /nfs/dbraw/zinc/17/93/88/1100179388.db2.gz DKHMXCQJKLUWGT-UHFFFAOYSA-N -1 3 354.431 4.242 20 0 FIADHM CC(C)N(C)c1ccccc1CNCc1cccc([O-])c1Br ZINC000459502818 1100239467 /nfs/dbraw/zinc/23/94/67/1100239467.db2.gz FBPRZEOTBZINRU-UHFFFAOYSA-N -1 3 363.299 4.289 20 0 FIADHM CC(C)Oc1cccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000473584893 1100261722 /nfs/dbraw/zinc/26/17/22/1100261722.db2.gz LXHZVGSRWKKUDW-UHFFFAOYSA-N -1 3 353.340 4.379 20 0 FIADHM CC(C)(CO)[C@H](NCc1cccc([O-])c1Br)c1cccs1 ZINC000459567975 1100315031 /nfs/dbraw/zinc/31/50/31/1100315031.db2.gz ZCAJAIYBLQLVHV-OAHLLOKOSA-N -1 3 370.312 4.066 20 0 FIADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Br ZINC000459573287 1100320881 /nfs/dbraw/zinc/32/08/81/1100320881.db2.gz INHTXJQAUUKGGA-KOLCDFICSA-N -1 3 352.194 4.318 20 0 FIADHM O=C(CCOc1cccc(Br)c1)Nc1c([O-])cccc1Cl ZINC000517785011 1100668305 /nfs/dbraw/zinc/66/83/05/1100668305.db2.gz PJUPUHIFLCORSK-UHFFFAOYSA-N -1 3 370.630 4.216 20 0 FIADHM COc1cc(Cl)c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1C ZINC000426023739 1100683563 /nfs/dbraw/zinc/68/35/63/1100683563.db2.gz UMZXZZUKLRBNFI-UHFFFAOYSA-N -1 3 374.799 4.198 20 0 FIADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000517814664 1100684365 /nfs/dbraw/zinc/68/43/65/1100684365.db2.gz GWQKVMCNHLRWAG-UHFFFAOYSA-N -1 3 369.384 4.327 20 0 FIADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000517814664 1100684368 /nfs/dbraw/zinc/68/43/68/1100684368.db2.gz GWQKVMCNHLRWAG-UHFFFAOYSA-N -1 3 369.384 4.327 20 0 FIADHM Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC000827972764 1100948032 /nfs/dbraw/zinc/94/80/32/1100948032.db2.gz BCBFCSAMXFTUAJ-QGZVFWFLSA-N -1 3 374.412 4.044 20 0 FIADHM Cc1nc(-c2cccc(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)c2)cs1 ZINC000439020693 1101083113 /nfs/dbraw/zinc/08/31/13/1101083113.db2.gz OQNOPEWNDXTGJO-UHFFFAOYSA-N -1 3 360.442 4.183 20 0 FIADHM CC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000060256084 1101216996 /nfs/dbraw/zinc/21/69/96/1101216996.db2.gz BEBRNKDRKOYUET-ZDUSSCGKSA-N -1 3 360.479 4.089 20 0 FIADHM CCC(CC)(C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648432788 1101330043 /nfs/dbraw/zinc/33/00/43/1101330043.db2.gz IHYXEVFYPHWRPU-UHFFFAOYSA-N -1 3 373.806 4.217 20 0 FIADHM CC(C)(C)c1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)s1 ZINC000648432159 1101331371 /nfs/dbraw/zinc/33/13/71/1101331371.db2.gz RPQCATUUPVZTEN-UHFFFAOYSA-N -1 3 365.808 4.132 20 0 FIADHM CCC[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1ccccc1 ZINC000648433976 1101332395 /nfs/dbraw/zinc/33/23/95/1101332395.db2.gz XNKMOTTYMQARNC-LBPRGKRZSA-N -1 3 359.779 4.043 20 0 FIADHM Cc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)c(Cl)c1C ZINC000648432295 1101332413 /nfs/dbraw/zinc/33/24/13/1101332413.db2.gz WMRUKWFGAZKJKP-UHFFFAOYSA-N -1 3 366.170 4.043 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)c3ccc(Cl)s3)cc2)n1 ZINC000175819146 1101444654 /nfs/dbraw/zinc/44/46/54/1101444654.db2.gz ICEPEOASOMXCIU-LLVKDONJSA-N -1 3 373.865 4.202 20 0 FIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CC[C@@H](c2cccnc2)C1 ZINC000518775450 1101538741 /nfs/dbraw/zinc/53/87/41/1101538741.db2.gz PTFZQUZLAMBDOQ-OAQYLSRUSA-N -1 3 372.468 4.202 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3C)cc2)cc(=O)[n-]1 ZINC000518908133 1101709048 /nfs/dbraw/zinc/70/90/48/1101709048.db2.gz ITWWHORUICIQFI-UHFFFAOYSA-N -1 3 352.369 4.249 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000560425523 1101756119 /nfs/dbraw/zinc/75/61/19/1101756119.db2.gz CZNCWPDYLNFVIO-JGVFFNPUSA-N -1 3 352.150 4.072 20 0 FIADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000121582466 1101831620 /nfs/dbraw/zinc/83/16/20/1101831620.db2.gz YKEPGWONYOYRJT-UHFFFAOYSA-N -1 3 369.384 4.327 20 0 FIADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000121582466 1101831633 /nfs/dbraw/zinc/83/16/33/1101831633.db2.gz YKEPGWONYOYRJT-UHFFFAOYSA-N -1 3 369.384 4.327 20 0 FIADHM Cc1ccc(-c2nnc([N-]C(=O)c3cnc(C4CC4)s3)s2)c(C)c1 ZINC000519141093 1101951175 /nfs/dbraw/zinc/95/11/75/1101951175.db2.gz KKVCSRKIJSYBKD-UHFFFAOYSA-N -1 3 356.476 4.408 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000506748546 1101989236 /nfs/dbraw/zinc/98/92/36/1101989236.db2.gz MLYCBKDMVDBBMJ-UHFFFAOYSA-N -1 3 350.321 4.185 20 0 FIADHM CSc1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c2ccccn12 ZINC000476156671 1101995997 /nfs/dbraw/zinc/99/59/97/1101995997.db2.gz MTQAMFALUGALJW-UHFFFAOYSA-N -1 3 367.352 4.033 20 0 FIADHM CCc1c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cnn1C(C)(C)C ZINC000476162993 1102000861 /nfs/dbraw/zinc/00/08/61/1102000861.db2.gz OAIOPYPTXPESQR-UHFFFAOYSA-N -1 3 355.360 4.177 20 0 FIADHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000475827147 1102023245 /nfs/dbraw/zinc/02/32/45/1102023245.db2.gz JHXUBWFRMUAFFD-SREVYHEPSA-N -1 3 358.423 4.049 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3cnc(C(C)(C)C)s3)n2)cc1 ZINC000103034866 1102088893 /nfs/dbraw/zinc/08/88/93/1102088893.db2.gz VMAJJCABGAKYLM-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)c(F)cc1F ZINC000440375906 1102237986 /nfs/dbraw/zinc/23/79/86/1102237986.db2.gz FCFQOTXUZRUQPU-SNVBAGLBSA-N -1 3 374.478 4.067 20 0 FIADHM Cc1cccc(C[C@H](CNCc2ncc(-c3ccccc3)s2)C(=O)[O-])c1 ZINC000426654882 1102257288 /nfs/dbraw/zinc/25/72/88/1102257288.db2.gz AWXFLJTZSRTIQO-GOSISDBHSA-N -1 3 366.486 4.152 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)NCc3ncccc3[O-])c(F)c2)cc1C ZINC000473632342 1102337490 /nfs/dbraw/zinc/33/74/90/1102337490.db2.gz YVLFBBKCTLXXBY-UHFFFAOYSA-N -1 3 350.393 4.140 20 0 FIADHM Cc1ccc(C(=O)NCc2ncccc2[O-])c(Sc2ccccc2)c1 ZINC000473641461 1102369857 /nfs/dbraw/zinc/36/98/57/1102369857.db2.gz WNIVTTWNQCVNMH-UHFFFAOYSA-N -1 3 350.443 4.177 20 0 FIADHM O=C([N-]c1cc(Br)ccc1F)c1cc(-c2ccccc2)no1 ZINC000110646472 1102386522 /nfs/dbraw/zinc/38/65/22/1102386522.db2.gz AAKLKBWQVFJTBJ-UHFFFAOYSA-N -1 3 361.170 4.496 20 0 FIADHM COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(C)s2)c([O-])c1 ZINC000121529459 1102410641 /nfs/dbraw/zinc/41/06/41/1102410641.db2.gz RBFDXRBBSGCORL-UHFFFAOYSA-N -1 3 357.431 4.206 20 0 FIADHM COc1ccccc1-c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000110924539 1102428690 /nfs/dbraw/zinc/42/86/90/1102428690.db2.gz DOBLOMCFUUHDTL-UHFFFAOYSA-N -1 3 370.408 4.456 20 0 FIADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122850310 1102638176 /nfs/dbraw/zinc/63/81/76/1102638176.db2.gz LNBLIGUDIITHKK-IBGZPJMESA-N -1 3 368.477 4.142 20 0 FIADHM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc([O-])c1F ZINC000128520120 1102754968 /nfs/dbraw/zinc/75/49/68/1102754968.db2.gz APXMAPXFXZOIDQ-UHFFFAOYSA-N -1 3 362.307 4.036 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3-c3ccccc3C2)c1 ZINC000101959433 1102797892 /nfs/dbraw/zinc/79/78/92/1102797892.db2.gz JVIGITJBECGIHP-UHFFFAOYSA-N -1 3 372.424 4.174 20 0 FIADHM CCOc1cc(CN2CCO[C@H](c3ccccc3F)C2)cc(Cl)c1[O-] ZINC000459335830 1102847473 /nfs/dbraw/zinc/84/74/73/1102847473.db2.gz IUWRPWRATRZTDK-SFHVURJKSA-N -1 3 365.832 4.157 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2cccc(Cl)c2SC(C)C)[n-]1 ZINC000551041474 1102860304 /nfs/dbraw/zinc/86/03/04/1102860304.db2.gz UVZQHJKAQOVOQH-UHFFFAOYSA-N -1 3 352.843 4.208 20 0 FIADHM Cc1cc(Br)ccc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000426683278 1102917815 /nfs/dbraw/zinc/91/78/15/1102917815.db2.gz QLNVLUOYZWSQTM-AWEZNQCLSA-N -1 3 354.269 4.125 20 0 FIADHM C[C@H]1CCc2nc(CNCCC[C@H](Cc3ccccc3)C(=O)[O-])sc2C1 ZINC000426675748 1102921912 /nfs/dbraw/zinc/92/19/12/1102921912.db2.gz VVMFAOLSXPDBEN-DOTOQJQBSA-N -1 3 372.534 4.081 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)[C@H](C)c2ccc(Cl)s2)c([O-])c1 ZINC000536621650 1102923099 /nfs/dbraw/zinc/92/30/99/1102923099.db2.gz XTEPJITUEOQVTC-SECBINFHSA-N -1 3 353.827 4.026 20 0 FIADHM CC(C)(C)c1nc(CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cs1 ZINC000426704392 1102932787 /nfs/dbraw/zinc/93/27/87/1102932787.db2.gz KLVIOYONMDLKIR-ZDUSSCGKSA-N -1 3 366.914 4.442 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(F)cc(Cl)c2)cc1 ZINC000426715141 1102937795 /nfs/dbraw/zinc/93/77/95/1102937795.db2.gz GVZHQDMEVNFZEU-KRWDZBQOSA-N -1 3 351.805 4.183 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc2ccccc2c1)c1cnn(-c2ccccc2)c1 ZINC000426719326 1102939709 /nfs/dbraw/zinc/93/97/09/1102939709.db2.gz FUSBVLJNXHDKAI-JOCHJYFZSA-N -1 3 371.440 4.331 20 0 FIADHM COc1ccc([C@H](CCC(=O)[O-])NCc2cnc(CC(C)C)s2)cc1 ZINC000426732526 1102951261 /nfs/dbraw/zinc/95/12/61/1102951261.db2.gz UGKCBUBXBCNZIO-KRWDZBQOSA-N -1 3 362.495 4.046 20 0 FIADHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000476926000 1102956290 /nfs/dbraw/zinc/95/62/90/1102956290.db2.gz QQIAODNAQGNSFT-CQSZACIVSA-N -1 3 372.273 4.022 20 0 FIADHM Cc1cc(C)cc([C@H](NCc2ccc(F)c(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426743247 1102960575 /nfs/dbraw/zinc/96/05/75/1102960575.db2.gz NKXNWFKXCINCLC-INIZCTEOSA-N -1 3 355.331 4.377 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(OCc2ccccc2)c1)c1cccc(F)c1 ZINC000426764841 1102963494 /nfs/dbraw/zinc/96/34/94/1102963494.db2.gz YLRZPGJSLZWGGM-NRFANRHFSA-N -1 3 365.404 4.320 20 0 FIADHM Cc1cc([C@H](NCc2ccc(OC(F)F)cc2)C(=O)[O-])ccc1Cl ZINC000426781523 1102983899 /nfs/dbraw/zinc/98/38/99/1102983899.db2.gz CMLBQDVWADZDDQ-HNNXBMFYSA-N -1 3 355.768 4.165 20 0 FIADHM O=C([O-])[C@H](CCc1ccccc1)NCc1csc(-c2cccs2)n1 ZINC000426765490 1102985968 /nfs/dbraw/zinc/98/59/68/1102985968.db2.gz OYFAHOMQHHYDAG-HNNXBMFYSA-N -1 3 358.488 4.047 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)[n-]1 ZINC000551223982 1102991395 /nfs/dbraw/zinc/99/13/95/1102991395.db2.gz PFICDFQKTDFNFO-CQSZACIVSA-N -1 3 364.401 4.194 20 0 FIADHM CCc1ccc([C@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])cc1 ZINC000426800344 1102999228 /nfs/dbraw/zinc/99/92/28/1102999228.db2.gz NMPLDWWQUVPHMX-INIZCTEOSA-N -1 3 366.230 4.066 20 0 FIADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cc3ccccc3[nH]c2=O)cc1 ZINC000426817547 1103013687 /nfs/dbraw/zinc/01/36/87/1103013687.db2.gz PITPJCOKCOENSK-FQEVSTJZSA-N -1 3 364.445 4.369 20 0 FIADHM CC(C)=CCC[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000454286824 1103024402 /nfs/dbraw/zinc/02/44/02/1103024402.db2.gz LTASRNPIJNTDLR-AWEZNQCLSA-N -1 3 354.454 4.414 20 0 FIADHM O=c1cc(CN[C@H](Cc2ccccc2)c2ccccc2F)nc(C2CC2)[n-]1 ZINC000459383204 1103118657 /nfs/dbraw/zinc/11/86/57/1103118657.db2.gz GTEHTVVMRBSERE-HXUWFJFHSA-N -1 3 363.436 4.272 20 0 FIADHM O=C([O-])[C@@]1(NCc2cccc(OC3CCCC3)c2)CCc2c1cccc2F ZINC000551423496 1103207524 /nfs/dbraw/zinc/20/75/24/1103207524.db2.gz XCJYNHDPFQSXEJ-JOCHJYFZSA-N -1 3 369.436 4.163 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1c(F)ccc(Br)c1F ZINC000427039707 1103211621 /nfs/dbraw/zinc/21/16/21/1103211621.db2.gz APRQTOAACVIINT-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM COc1ccc(OC)c([C@@H](C)NCc2cccc([O-])c2Br)c1 ZINC000315397088 1103252683 /nfs/dbraw/zinc/25/26/83/1103252683.db2.gz PZOUUGNBLGJDTL-LLVKDONJSA-N -1 3 366.255 4.023 20 0 FIADHM O=C(Cc1ccc(Br)c(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000532836529 1103259259 /nfs/dbraw/zinc/25/92/59/1103259259.db2.gz DENHMHBWJJCRAI-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM CCC[C@H](NC(=O)[C@@H](C)SCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000477351469 1103416282 /nfs/dbraw/zinc/41/62/82/1103416282.db2.gz LZOURYSULHNAEB-PBHICJAKSA-N -1 3 373.522 4.024 20 0 FIADHM CCc1c(NC(=O)CCCc2ccc([O-])c(F)c2)cnn1CCC(C)C ZINC000427431250 1103543825 /nfs/dbraw/zinc/54/38/25/1103543825.db2.gz HZGYPZAILHAPLD-UHFFFAOYSA-N -1 3 361.461 4.298 20 0 FIADHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000519672856 1103770820 /nfs/dbraw/zinc/77/08/20/1103770820.db2.gz KGHYLPPSTQOUGF-UHFFFAOYSA-N -1 3 364.225 4.080 20 0 FIADHM COc1ccc([O-])c(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)c1 ZINC000440723722 1103915713 /nfs/dbraw/zinc/91/57/13/1103915713.db2.gz DWHDHWNOMLTPMY-UHFFFAOYSA-N -1 3 363.388 4.410 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000440993263 1104065051 /nfs/dbraw/zinc/06/50/51/1104065051.db2.gz VKIXUBAYLMJSIU-WDEREUQCSA-N -1 3 357.278 4.431 20 0 FIADHM Cc1cc(C)cc([C@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000469565028 1104067265 /nfs/dbraw/zinc/06/72/65/1104067265.db2.gz IOZDICMQONKNKS-SFHVURJKSA-N -1 3 355.453 4.487 20 0 FIADHM O=C(CCCOCc1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440988314 1104071101 /nfs/dbraw/zinc/07/11/01/1104071101.db2.gz QTCPFBYBQXVYSL-UHFFFAOYSA-N -1 3 353.340 4.347 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1csc(-c2ccoc2)n1 ZINC000440988267 1104071312 /nfs/dbraw/zinc/07/13/12/1104071312.db2.gz IZBLSFKMWSXOIS-UHFFFAOYSA-N -1 3 354.309 4.380 20 0 FIADHM CCN(C(=O)c1ccccc1[O-])[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000112821719 1104410854 /nfs/dbraw/zinc/41/08/54/1104410854.db2.gz FOZSHAHKVSOXAD-NRFANRHFSA-N -1 3 364.420 4.486 20 0 FIADHM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328659474 1104527630 /nfs/dbraw/zinc/52/76/30/1104527630.db2.gz SUZAPFZJJVVFPG-ZDUSSCGKSA-N -1 3 367.428 4.037 20 0 FIADHM C[C@H](CCC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000441428782 1104591359 /nfs/dbraw/zinc/59/13/59/1104591359.db2.gz KQCHOYGHRMPIKM-CYBMUJFWSA-N -1 3 362.267 4.355 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1[O-] ZINC000665046371 1104803829 /nfs/dbraw/zinc/80/38/29/1104803829.db2.gz NHXYYWZPBCJBFS-UHFFFAOYSA-N -1 3 357.454 4.096 20 0 FIADHM COc1cccc([C@@H](OC)c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000665065811 1104860517 /nfs/dbraw/zinc/86/05/17/1104860517.db2.gz LCRFRBKNPCHXJC-GOSISDBHSA-N -1 3 354.406 4.310 20 0 FIADHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cc(Cl)ccc1Cl ZINC000190260909 1104891042 /nfs/dbraw/zinc/89/10/42/1104891042.db2.gz IWRQBQDYPHUJLI-SNVBAGLBSA-N -1 3 361.228 4.326 20 0 FIADHM O=C([O-])C[C@H](CNCc1csc(C2CC2)n1)c1ccc(Cl)cc1 ZINC000417543706 1104955086 /nfs/dbraw/zinc/95/50/86/1104955086.db2.gz GKOKQICXOOIRQB-CYBMUJFWSA-N -1 3 350.871 4.022 20 0 FIADHM COc1ccc([O-])c(-c2nc(Cc3c(Cl)cccc3Cl)no2)c1 ZINC000320399953 1104957587 /nfs/dbraw/zinc/95/75/87/1104957587.db2.gz FXDARNZWMAUHMQ-UHFFFAOYSA-N -1 3 351.189 4.348 20 0 FIADHM O=C([O-])C1(CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000417617622 1105017370 /nfs/dbraw/zinc/01/73/70/1105017370.db2.gz WMYCWCOGRDKHAC-UHFFFAOYSA-N -1 3 357.262 4.071 20 0 FIADHM CC[C@H](CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000417643782 1105044343 /nfs/dbraw/zinc/04/43/43/1105044343.db2.gz BKALHAZVCZNPQJ-LLVKDONJSA-N -1 3 372.412 4.419 20 0 FIADHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000614622204 1105048423 /nfs/dbraw/zinc/04/84/23/1105048423.db2.gz KDUGUISDFWMFDY-GXSJLCMTSA-N -1 3 360.262 4.188 20 0 FIADHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o1 ZINC000614621707 1105048956 /nfs/dbraw/zinc/04/89/56/1105048956.db2.gz CPGRUPLDDCIXEZ-MWLCHTKSSA-N -1 3 360.262 4.188 20 0 FIADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccccc1F ZINC000508060145 1105315675 /nfs/dbraw/zinc/31/56/75/1105315675.db2.gz FYTYIQRQUSAUBK-UHFFFAOYSA-N -1 3 350.180 4.197 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1[O-] ZINC001625933875 1105362744 /nfs/dbraw/zinc/36/27/44/1105362744.db2.gz BQOHMNFTOJFWSE-UHFFFAOYSA-N -1 3 355.337 4.459 20 0 FIADHM CC(C)(C)c1ccc(OCCCN2CCc3occc3[C@H]2C(=O)[O-])cc1 ZINC000530171651 1106902840 /nfs/dbraw/zinc/90/28/40/1106902840.db2.gz YTJMKGOPWPYLDG-IBGZPJMESA-N -1 3 357.450 4.030 20 0 FIADHM CCOc1ccc(-c2nc(CN3[C@H](C)CC(C(=O)[O-])C[C@H]3C)cs2)cc1 ZINC000530175520 1106904930 /nfs/dbraw/zinc/90/49/30/1106904930.db2.gz QCLRVUZLBAEJQG-ZIAGYGMSSA-N -1 3 374.506 4.282 20 0 FIADHM CN(C)C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000530252569 1106931558 /nfs/dbraw/zinc/93/15/58/1106931558.db2.gz OOBASTIRQBEHCT-KRWDZBQOSA-N -1 3 367.276 4.084 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)c3cc(F)ccc3F)nc2)n1 ZINC000301525054 1107058306 /nfs/dbraw/zinc/05/83/06/1107058306.db2.gz MVXSHIMTJCDOJX-GFCCVEGCSA-N -1 3 370.403 4.282 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Oc2ccccc2Cl)nc1 ZINC000530602687 1107185422 /nfs/dbraw/zinc/18/54/22/1107185422.db2.gz MMOZOUHBLMGAFK-UHFFFAOYSA-N -1 3 372.783 4.302 20 0 FIADHM Cc1csc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000451579517 1107191634 /nfs/dbraw/zinc/19/16/34/1107191634.db2.gz KWTVTJQGBYHXJF-CYBMUJFWSA-N -1 3 363.426 4.071 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000530777760 1107315702 /nfs/dbraw/zinc/31/57/02/1107315702.db2.gz RLQMOYRULWIOIK-VHSXEESVSA-N -1 3 368.177 4.175 20 0 FIADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000530827856 1107341985 /nfs/dbraw/zinc/34/19/85/1107341985.db2.gz XPWKEOYQDPQAMP-IEBWSBKVSA-N -1 3 356.441 4.399 20 0 FIADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000530827859 1107343090 /nfs/dbraw/zinc/34/30/90/1107343090.db2.gz XPWKEOYQDPQAMP-PKOBYXMFSA-N -1 3 356.441 4.399 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531155407 1107613122 /nfs/dbraw/zinc/61/31/22/1107613122.db2.gz GFINLZQTCVZHKA-RKDXNWHRSA-N -1 3 366.177 4.462 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000665801290 1107771745 /nfs/dbraw/zinc/77/17/45/1107771745.db2.gz PQLUMKNVNHLCQX-UHFFFAOYSA-N -1 3 367.474 4.010 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(CCc1ccccc1)C1CCCC1 ZINC000531394185 1107820802 /nfs/dbraw/zinc/82/08/02/1107820802.db2.gz ZMYHQNIQSOLXEV-UHFFFAOYSA-N -1 3 356.441 4.228 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000531418976 1107889528 /nfs/dbraw/zinc/88/95/28/1107889528.db2.gz RFEOVONNPWIETF-UHFFFAOYSA-N -1 3 368.433 4.172 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C)c1 ZINC000523124283 1107916861 /nfs/dbraw/zinc/91/68/61/1107916861.db2.gz DKLYFSIIDDYSIK-UHFFFAOYSA-N -1 3 359.369 4.045 20 0 FIADHM Cc1oc(C(C)C)nc1C(=O)Nc1c([O-])ccc(Br)c1C ZINC000452755288 1107948330 /nfs/dbraw/zinc/94/83/30/1107948330.db2.gz NBBFTTLFQMBBAV-UHFFFAOYSA-N -1 3 353.216 4.135 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)NCC1CCC(c2ccccc2)CC1 ZINC000523431449 1108200952 /nfs/dbraw/zinc/20/09/52/1108200952.db2.gz HGJCLNQUMBGDDA-UHFFFAOYSA-N -1 3 356.441 4.305 20 0 FIADHM COc1ccc2oc([C@H](C)NC(=O)NCc3ccc([O-])c(F)c3)c(C)c2c1 ZINC000523432640 1108203035 /nfs/dbraw/zinc/20/30/35/1108203035.db2.gz VLJOHEPOTQKUOE-LBPRGKRZSA-N -1 3 372.396 4.155 20 0 FIADHM CSCCCCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000523561183 1108336880 /nfs/dbraw/zinc/33/68/80/1108336880.db2.gz WPCKIPLXNMXTJL-UHFFFAOYSA-N -1 3 358.294 4.277 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccoc1Br ZINC000445000949 1108365194 /nfs/dbraw/zinc/36/51/94/1108365194.db2.gz RBPCLTYYMBPPBJ-UHFFFAOYSA-N -1 3 350.090 4.019 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)cc1Br ZINC000523955152 1108701321 /nfs/dbraw/zinc/70/13/21/1108701321.db2.gz YBZDTDBHMAIXDC-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)c(OC)c(OC)c2)CC)n1 ZINC000193619159 1108783509 /nfs/dbraw/zinc/78/35/09/1108783509.db2.gz CNUYYYBVCFDMNS-MDWZMJQESA-N -1 3 362.857 4.344 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C(F)F)c3)c2)n1 ZINC000171543009 1108850554 /nfs/dbraw/zinc/85/05/54/1108850554.db2.gz PBEDCSRQIBDBAQ-UHFFFAOYSA-N -1 3 369.371 4.189 20 0 FIADHM CCSCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000524640465 1109100832 /nfs/dbraw/zinc/10/08/32/1109100832.db2.gz JWVZWEYSVNSFET-UHFFFAOYSA-N -1 3 351.493 4.058 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCC=C(C)C)nc(=O)c2c1C ZINC000446112469 1109110809 /nfs/dbraw/zinc/11/08/09/1109110809.db2.gz PLAMCWWCMTUDDL-LLVKDONJSA-N -1 3 366.508 4.230 20 0 FIADHM CCOc1cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc(Cl)c1[O-] ZINC000446147371 1109129930 /nfs/dbraw/zinc/12/99/30/1109129930.db2.gz UJZJQTZQYIYZLF-UHFFFAOYSA-N -1 3 357.719 4.401 20 0 FIADHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)ccc1C ZINC000447280478 1109494279 /nfs/dbraw/zinc/49/42/79/1109494279.db2.gz WVLYAPNFWUKGIZ-UHFFFAOYSA-N -1 3 358.463 4.022 20 0 FIADHM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1ccc2ncccc2c1 ZINC000447275154 1109501362 /nfs/dbraw/zinc/50/13/62/1109501362.db2.gz RXOXIVZMTZZREC-UHFFFAOYSA-N -1 3 368.389 4.435 20 0 FIADHM O=C([N-]c1ncn(C2CCCCC2)n1)c1ncsc1-c1ccccc1 ZINC000525843491 1109534751 /nfs/dbraw/zinc/53/47/51/1109534751.db2.gz RRZZQTPWBLQHIH-UHFFFAOYSA-N -1 3 353.451 4.159 20 0 FIADHM O=C(Nc1nc2ccccc2n1C1CCCCC1)c1cccc2n[n-]nc21 ZINC000525864276 1109537934 /nfs/dbraw/zinc/53/79/34/1109537934.db2.gz WFLLHRMRQPJEJC-UHFFFAOYSA-N -1 3 360.421 4.065 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C)c(Cl)c3F)cc2)n1 ZINC000447496485 1109554604 /nfs/dbraw/zinc/55/46/04/1109554604.db2.gz QNUCONDSTLNBQA-UHFFFAOYSA-N -1 3 371.799 4.099 20 0 FIADHM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc4ccccc4c3[O-])cccc21 ZINC000447726573 1109626947 /nfs/dbraw/zinc/62/69/47/1109626947.db2.gz HIBJLWZGIFKYNC-LJQANCHMSA-N -1 3 362.429 4.183 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(Br)cc2Cl)n1 ZINC000447879280 1109665137 /nfs/dbraw/zinc/66/51/37/1109665137.db2.gz PLXLCLUWDWFNAN-SNVBAGLBSA-N -1 3 370.678 4.100 20 0 FIADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccccc2OCc2ccccc2)n1 ZINC000447890161 1109668005 /nfs/dbraw/zinc/66/80/05/1109668005.db2.gz VLENCFWHJNDAGE-IAGOWNOFSA-N -1 3 363.461 4.481 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000448663745 1109858851 /nfs/dbraw/zinc/85/88/51/1109858851.db2.gz IUEWOYNLUCKGQW-UHFFFAOYSA-N -1 3 367.342 4.284 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3=C(C)CC(C)(C)CC3)cc2)n1 ZINC000448792720 1109897094 /nfs/dbraw/zinc/89/70/94/1109897094.db2.gz JHMUMBVHWUTHRM-UHFFFAOYSA-N -1 3 351.450 4.210 20 0 FIADHM CCOc1cc(C(=O)[N-]c2nc(-c3ccc(OC)cc3)c(CC)s2)on1 ZINC000448908994 1109937621 /nfs/dbraw/zinc/93/76/21/1109937621.db2.gz KRMKQRYNSLFYTM-UHFFFAOYSA-N -1 3 373.434 4.020 20 0 FIADHM C[C@@H]1CC[C@@H](c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)O1 ZINC000528228879 1109940553 /nfs/dbraw/zinc/94/05/53/1109940553.db2.gz DDONXEVJMHXEAC-ACJLOTCBSA-N -1 3 352.390 4.261 20 0 FIADHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1cccc(Cl)c1Cl ZINC000528499098 1110006354 /nfs/dbraw/zinc/00/63/54/1110006354.db2.gz IGUPEIDBRIVVGV-MRXNPFEDSA-N -1 3 371.289 4.208 20 0 FIADHM CCc1nc(C)c(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)o1 ZINC000449989725 1110218488 /nfs/dbraw/zinc/21/84/88/1110218488.db2.gz QCLCYOCBXRECPO-UHFFFAOYSA-N -1 3 360.464 4.038 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCc4c(F)cccc43)nc2)n1 ZINC000450565629 1110314507 /nfs/dbraw/zinc/31/45/07/1110314507.db2.gz UPARVRSORBWYTK-SFHVURJKSA-N -1 3 364.424 4.435 20 0 FIADHM CSc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc(C)c3C)cc2)c1 ZINC000461207460 1111109082 /nfs/dbraw/zinc/10/90/82/1111109082.db2.gz MQWGIGVBXNNYKV-UHFFFAOYSA-N -1 3 373.503 4.012 20 0 FIADHM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccc3)cs2)cc1 ZINC000127997009 1111122877 /nfs/dbraw/zinc/12/28/77/1111122877.db2.gz BDWDBYUIWPWNFX-MRXNPFEDSA-N -1 3 361.426 4.080 20 0 FIADHM C=Cc1ccc(CCNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)cc1 ZINC000461254507 1111142445 /nfs/dbraw/zinc/14/24/45/1111142445.db2.gz HUVQOSSIEQKZAV-UHFFFAOYSA-N -1 3 374.444 4.165 20 0 FIADHM CCc1cccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c1[O-] ZINC000538744517 1111278250 /nfs/dbraw/zinc/27/82/50/1111278250.db2.gz VCMJPFUGIFCPLT-UGSOOPFHSA-N -1 3 359.853 4.210 20 0 FIADHM CC[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(OC)cc1 ZINC000539384031 1111545971 /nfs/dbraw/zinc/54/59/71/1111545971.db2.gz BTJVUXWQUXCUCZ-CQSZACIVSA-N -1 3 364.239 4.296 20 0 FIADHM O=C(CCc1cc(Br)cs1)Nc1c([O-])cccc1Cl ZINC000552434616 1111705741 /nfs/dbraw/zinc/70/57/41/1111705741.db2.gz RPTUKLQPJNGPKE-UHFFFAOYSA-N -1 3 360.660 4.441 20 0 FIADHM CN(C)c1ccc(-c2cncc(C(=O)Nc3c([O-])cccc3Cl)c2)cc1 ZINC000552780611 1111810741 /nfs/dbraw/zinc/81/07/41/1111810741.db2.gz IEOUYTQOTBRGCT-UHFFFAOYSA-N -1 3 367.836 4.426 20 0 FIADHM Cc1ccc(-c2cc(C(=O)[N-]c3ncc(-c4ccccn4)s3)on2)cc1 ZINC000553110801 1111904674 /nfs/dbraw/zinc/90/46/74/1111904674.db2.gz MMMQDMMTHKCOPE-UHFFFAOYSA-N -1 3 362.414 4.421 20 0 FIADHM CCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)c1cc(C)cc(C)c1 ZINC000553140118 1111916168 /nfs/dbraw/zinc/91/61/68/1111916168.db2.gz OLEIYENEELPWRU-UHFFFAOYSA-N -1 3 352.409 4.259 20 0 FIADHM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2C1 ZINC000479148171 1111955779 /nfs/dbraw/zinc/95/57/79/1111955779.db2.gz PPKVBHKUQZGYRV-HNNXBMFYSA-N -1 3 374.506 4.000 20 0 FIADHM COc1ccccc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479282385 1111981549 /nfs/dbraw/zinc/98/15/49/1111981549.db2.gz NILMGMORTSONAE-UHFFFAOYSA-N -1 3 368.867 4.068 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c(Br)c1 ZINC000479526223 1112053359 /nfs/dbraw/zinc/05/33/59/1112053359.db2.gz WTFCGYFGBIVKLU-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCC[C@@H](C)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000479600457 1112083000 /nfs/dbraw/zinc/08/30/00/1112083000.db2.gz QSNSVTXQCYMDQK-CPUCHLNUSA-N -1 3 368.481 4.351 20 0 FIADHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)[C@@H]1CCC(F)(F)C1 ZINC000479908099 1112193254 /nfs/dbraw/zinc/19/32/54/1112193254.db2.gz FKFIDAJRSPJUBG-MRVPVSSYSA-N -1 3 360.191 4.179 20 0 FIADHM O=C([O-])CC1CCN([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000567173244 1112228448 /nfs/dbraw/zinc/22/84/48/1112228448.db2.gz STVDANSKSKITAQ-INIZCTEOSA-N -1 3 352.272 4.013 20 0 FIADHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1coc(C2CCCCC2)n1 ZINC000554857458 1112533001 /nfs/dbraw/zinc/53/30/01/1112533001.db2.gz CVKBBAQWBKWPLT-UHFFFAOYSA-N -1 3 373.363 4.038 20 0 FIADHM COc1ccc(-c2cncc(C(=O)Nc3c([O-])cccc3Cl)c2)cc1 ZINC000554953548 1112589033 /nfs/dbraw/zinc/58/90/33/1112589033.db2.gz CSGXRNHOWCCVMG-UHFFFAOYSA-N -1 3 354.793 4.369 20 0 FIADHM COc1ccccc1C1(C(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000481251885 1112832099 /nfs/dbraw/zinc/83/20/99/1112832099.db2.gz CPSUYRKEWSMGMY-UHFFFAOYSA-N -1 3 357.425 4.058 20 0 FIADHM O=C(Nc1ccc(Sc2nncs2)cc1)c1cc([O-])ccc1Cl ZINC000555836388 1113020509 /nfs/dbraw/zinc/02/05/09/1113020509.db2.gz MQAOGRLOKJFYBC-UHFFFAOYSA-N -1 3 363.851 4.301 20 0 FIADHM COCCSc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000555864768 1113031918 /nfs/dbraw/zinc/03/19/18/1113031918.db2.gz CYALIRAEXTWWCH-GFCCVEGCSA-N -1 3 365.882 4.275 20 0 FIADHM O=C([N-]c1cc(F)c(Br)cc1F)c1c(F)cc(F)cc1F ZINC000160865138 1113419009 /nfs/dbraw/zinc/41/90/09/1113419009.db2.gz LWLCZGARXFBHDW-UHFFFAOYSA-N -1 3 366.083 4.397 20 0 FIADHM O=c1cc(C=Cc2nc(-c3ccccc3)cs2)nc(-c2ccncc2)[n-]1 ZINC000486102842 1113506374 /nfs/dbraw/zinc/50/63/74/1113506374.db2.gz OIVUIXFWAYGKOL-SREVYHEPSA-N -1 3 358.426 4.126 20 0 FIADHM O=C([N-]c1nc2c(cccc2Cl)s1)c1cc(-c2ccccn2)no1 ZINC000486151238 1113514676 /nfs/dbraw/zinc/51/46/76/1113514676.db2.gz BKPJBIADFRFVRH-UHFFFAOYSA-N -1 3 356.794 4.252 20 0 FIADHM CSc1cc2c(cc1[N-]C(=O)c1coc(C3CCCCC3)n1)OCCO2 ZINC000486253075 1113533487 /nfs/dbraw/zinc/53/34/87/1113533487.db2.gz LSURBICMUYWGJR-UHFFFAOYSA-N -1 3 374.462 4.468 20 0 FIADHM CCCCN(CCCC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486422950 1113564014 /nfs/dbraw/zinc/56/40/14/1113564014.db2.gz FPNHINOKRVNHJP-UHFFFAOYSA-N -1 3 357.292 4.267 20 0 FIADHM CC(C)CN(CC(C)(C)C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486647849 1113612306 /nfs/dbraw/zinc/61/23/06/1113612306.db2.gz CDYPGLVSNOQPPJ-UHFFFAOYSA-N -1 3 371.319 4.368 20 0 FIADHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1cc(Cl)ccc1Cl ZINC000488600328 1113962352 /nfs/dbraw/zinc/96/23/52/1113962352.db2.gz USRFIQPPPZUYCD-SECBINFHSA-N -1 3 357.212 4.399 20 0 FIADHM Cc1cc(C)cc(-c2cc(=NC(=O)CC3CC(OC(C)(C)C)C3)[nH][n-]2)c1 ZINC000489021343 1114035159 /nfs/dbraw/zinc/03/51/59/1114035159.db2.gz ZKTULCVXDRHZTR-UHFFFAOYSA-N -1 3 355.482 4.038 20 0 FIADHM O=C([N-]c1cc(F)cc(Br)c1F)c1noc2c1CCCCC2 ZINC000489374023 1114097216 /nfs/dbraw/zinc/09/72/16/1114097216.db2.gz FVHNLSDVCHFVLN-UHFFFAOYSA-N -1 3 371.181 4.237 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)c(Cl)cc1F ZINC000490055367 1114211086 /nfs/dbraw/zinc/21/10/86/1114211086.db2.gz DUCSFEWDNZTLAU-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM C[C@]1(C(=O)[O-])CCCN(Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000571529685 1114479010 /nfs/dbraw/zinc/47/90/10/1114479010.db2.gz STGFIYVITLYXEU-KRWDZBQOSA-N -1 3 350.871 4.150 20 0 FIADHM O=c1cc(CNc2ccccc2SCC(F)(F)F)nc(C2CC2)[n-]1 ZINC000669259675 1114538271 /nfs/dbraw/zinc/53/82/71/1114538271.db2.gz MVAIMISBVRSXID-UHFFFAOYSA-N -1 3 355.385 4.326 20 0 FIADHM C/C(=C/C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000056056153 1114591238 /nfs/dbraw/zinc/59/12/38/1114591238.db2.gz FCZKBQXZHXJTQB-SQFISAMPSA-N -1 3 370.474 4.091 20 0 FIADHM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000572006759 1114598112 /nfs/dbraw/zinc/59/81/12/1114598112.db2.gz JLMQZYPWWDRGCW-WBVHZDCISA-N -1 3 358.265 4.012 20 0 FIADHM O=C(Nc1nc(-c2cccs2)ns1)c1cc([O-])c2ccccc2c1 ZINC000572895231 1114805161 /nfs/dbraw/zinc/80/51/61/1114805161.db2.gz NGRCHIAMQTXYCQ-UHFFFAOYSA-N -1 3 353.428 4.378 20 0 FIADHM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000589597865 1114815609 /nfs/dbraw/zinc/81/56/09/1114815609.db2.gz SIVRZGGIRSYSDI-UHFFFAOYSA-N -1 3 357.497 4.460 20 0 FIADHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1 ZINC000590262953 1114917736 /nfs/dbraw/zinc/91/77/36/1114917736.db2.gz BXLKPLVODZRPCC-UHFFFAOYSA-N -1 3 353.724 4.299 20 0 FIADHM COc1ccccc1-c1cc(=NC(=O)C[C@H](c2ccccc2)C(C)C)[nH][n-]1 ZINC000590809714 1114978506 /nfs/dbraw/zinc/97/85/06/1114978506.db2.gz UDYZZGGSIKJRJN-SFHVURJKSA-N -1 3 363.461 4.276 20 0 FIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000591252623 1115039396 /nfs/dbraw/zinc/03/93/96/1115039396.db2.gz VTJWDMNMWVHGDK-UHFFFAOYSA-N -1 3 372.881 4.344 20 0 FIADHM CC(C)[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1 ZINC000573259411 1115087160 /nfs/dbraw/zinc/08/71/60/1115087160.db2.gz WNFGWVLFDCUUNQ-LRDDRELGSA-N -1 3 372.278 4.472 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)ccc1F ZINC000591796947 1115139679 /nfs/dbraw/zinc/13/96/79/1115139679.db2.gz CSKNNJBOBSFQAV-UHFFFAOYSA-N -1 3 372.421 4.431 20 0 FIADHM Cc1ccc(-c2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c(F)c2)cc1 ZINC000592831154 1115265526 /nfs/dbraw/zinc/26/55/26/1115265526.db2.gz DAKWQMBWFNQOFS-UHFFFAOYSA-N -1 3 362.364 4.432 20 0 FIADHM O=C(CC1CCCC1)Nc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1 ZINC000592888330 1115267388 /nfs/dbraw/zinc/26/73/88/1115267388.db2.gz RYTAKQWBUBRGKZ-UHFFFAOYSA-N -1 3 365.408 4.248 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC(c2cccc3ccccc32)CC1 ZINC000574097932 1115290413 /nfs/dbraw/zinc/29/04/13/1115290413.db2.gz JGLNKKZLRGFWGM-UHFFFAOYSA-N -1 3 373.456 4.233 20 0 FIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1C ZINC000046541551 1115421009 /nfs/dbraw/zinc/42/10/09/1115421009.db2.gz DBSFIFHLLIHHGV-UHFFFAOYSA-N -1 3 374.506 4.296 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)c(Br)c(Cl)c1 ZINC000575131013 1115543353 /nfs/dbraw/zinc/54/33/53/1115543353.db2.gz QHGFZOOTXPEJNX-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM CC(C)(C)c1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)s1 ZINC000784168698 1115672344 /nfs/dbraw/zinc/67/23/44/1115672344.db2.gz YQBWNTIMKXQXAN-UHFFFAOYSA-N -1 3 358.419 4.158 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000605492611 1115904099 /nfs/dbraw/zinc/90/40/99/1115904099.db2.gz OXRXQLLYATZHTJ-LBPRGKRZSA-N -1 3 351.855 4.081 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000606536676 1115953877 /nfs/dbraw/zinc/95/38/77/1115953877.db2.gz QCGWGIBJLUCSPO-UHFFFAOYSA-N -1 3 352.409 4.212 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000606714792 1115965499 /nfs/dbraw/zinc/96/54/99/1115965499.db2.gz IPBGYOCZQDNFCV-OAHLLOKOSA-N -1 3 362.832 4.101 20 0 FIADHM O=C(NCC1(c2cccs2)CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000606858496 1115976779 /nfs/dbraw/zinc/97/67/79/1115976779.db2.gz QALOAZLUGZYNHO-UHFFFAOYSA-N -1 3 366.486 4.222 20 0 FIADHM CCc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000607160037 1116004522 /nfs/dbraw/zinc/00/45/22/1116004522.db2.gz DLOIXKDFUFBELS-UHFFFAOYSA-N -1 3 350.292 4.096 20 0 FIADHM C=CCN(Cc1cccc(C#N)c1)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000063300844 1116044035 /nfs/dbraw/zinc/04/40/35/1116044035.db2.gz LTVQTFQQIDYWKT-UHFFFAOYSA-N -1 3 374.440 4.121 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1Cl ZINC000607615906 1116049410 /nfs/dbraw/zinc/04/94/10/1116049410.db2.gz AHJWSHZJGOSDIF-UHFFFAOYSA-N -1 3 369.870 4.327 20 0 FIADHM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cc(F)cc(Cl)c1 ZINC000534401663 1116195968 /nfs/dbraw/zinc/19/59/68/1116195968.db2.gz UQIIOJWTSBLOTN-UHFFFAOYSA-N -1 3 372.824 4.019 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1CC ZINC000535232166 1116283581 /nfs/dbraw/zinc/28/35/81/1116283581.db2.gz BLCARTNCVHRIMU-UHFFFAOYSA-N -1 3 374.506 4.207 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nccc3occc32)CC1 ZINC000535242049 1116286173 /nfs/dbraw/zinc/28/61/73/1116286173.db2.gz PSOAGNRJUIAJNQ-UHFFFAOYSA-N -1 3 371.824 4.042 20 0 FIADHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1ccsc1)c1ccccc1 ZINC000503483867 1116305724 /nfs/dbraw/zinc/30/57/24/1116305724.db2.gz CPKCLJATBUWLKV-UHFFFAOYSA-N -1 3 352.394 4.006 20 0 FIADHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462697789 1116392291 /nfs/dbraw/zinc/39/22/91/1116392291.db2.gz OPRNPKGEAVTMHC-GFCCVEGCSA-N -1 3 374.289 4.048 20 0 FIADHM Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(Cl)c3ccccc32)c(=O)[n-]1 ZINC000462841439 1117799744 /nfs/dbraw/zinc/79/97/44/1117799744.db2.gz VHHBSAVUNOSUSV-LLVKDONJSA-N -1 3 369.852 4.026 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)o1 ZINC000540213811 1117939807 /nfs/dbraw/zinc/93/98/07/1117939807.db2.gz YKWFFSWRJDITHD-VXGBXAGGSA-N -1 3 361.385 4.077 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(Cl)cc2)o1 ZINC000540207634 1117944031 /nfs/dbraw/zinc/94/40/31/1117944031.db2.gz BSWKZOZNCIBPSV-INIZCTEOSA-N -1 3 367.879 4.371 20 0 FIADHM Cc1ccc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cn2)cc1C ZINC000540963724 1118326195 /nfs/dbraw/zinc/32/61/95/1118326195.db2.gz OELPADGNBVEILM-UHFFFAOYSA-N -1 3 359.389 4.014 20 0 FIADHM [O-]c1ccc(F)c(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1F ZINC000508160081 1118400100 /nfs/dbraw/zinc/40/01/00/1118400100.db2.gz IMKXQEPIYUCNPH-INIZCTEOSA-N -1 3 357.759 4.036 20 0 FIADHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000541305252 1118467367 /nfs/dbraw/zinc/46/73/67/1118467367.db2.gz PYOQDYBHDSIZEP-UHFFFAOYSA-N -1 3 361.797 4.093 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)cc1Cl ZINC000464409857 1118546800 /nfs/dbraw/zinc/54/68/00/1118546800.db2.gz VRNYHYFBCYBZQF-UHFFFAOYSA-N -1 3 367.883 4.047 20 0 FIADHM CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)Cc1cccc(Cl)c1 ZINC000465048026 1118798704 /nfs/dbraw/zinc/79/87/04/1118798704.db2.gz NJCJTUJWKZZWOJ-UHFFFAOYSA-N -1 3 368.864 4.180 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000465183270 1118871204 /nfs/dbraw/zinc/87/12/04/1118871204.db2.gz KLCONDYARSBWNX-UHFFFAOYSA-N -1 3 374.431 4.367 20 0 FIADHM CCCCS(=O)(=O)Nc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000151684101 1118961913 /nfs/dbraw/zinc/96/19/13/1118961913.db2.gz LANQWWYRIHHIRT-UHFFFAOYSA-N -1 3 368.886 4.200 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3c(C)[nH]c4ccc(Cl)cc43)n[n-]2)o1 ZINC000492458550 1119101304 /nfs/dbraw/zinc/10/13/04/1119101304.db2.gz SAAPLLRPIMVWNB-UHFFFAOYSA-N -1 3 355.785 4.069 20 0 FIADHM O=C(Cc1c[nH]c2ccc(F)cc12)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152280777 1119192795 /nfs/dbraw/zinc/19/27/95/1119192795.db2.gz LZYCQMCLAMNGOV-UHFFFAOYSA-N -1 3 366.314 4.116 20 0 FIADHM CC[C@H](c1nnc([N-]C(=O)c2cc(OC)cs2)s1)c1ccccc1 ZINC000176785807 1119294241 /nfs/dbraw/zinc/29/42/41/1119294241.db2.gz FKGKWEWATHKYPS-ZDUSSCGKSA-N -1 3 359.476 4.402 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)C2CC2)cc1 ZINC000178444819 1119390823 /nfs/dbraw/zinc/39/08/23/1119390823.db2.gz VIPJHCGVWSHJHA-HNNXBMFYSA-N -1 3 372.490 4.089 20 0 FIADHM O=C1c2cc(Cl)ccc2N[C@H](c2cc([O-])cc(F)c2)N1c1ccncc1 ZINC000184610363 1119616941 /nfs/dbraw/zinc/61/69/41/1119616941.db2.gz YUDGATBZSQSRBG-SFHVURJKSA-N -1 3 369.783 4.351 20 0 FIADHM Cc1ccc([O-])c(CN2CCC[C@H]2c2ccc(Br)s2)n1 ZINC000542483324 1119855237 /nfs/dbraw/zinc/85/52/37/1119855237.db2.gz OFWDWUDGSVKSHS-LBPRGKRZSA-N -1 3 353.285 4.257 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000494556057 1119903943 /nfs/dbraw/zinc/90/39/43/1119903943.db2.gz CAEZRSZLQVWPSP-SFHVURJKSA-N -1 3 356.441 4.228 20 0 FIADHM O=C([N-]c1cc(Br)c(F)cc1F)c1cc(-c2ccco2)on1 ZINC000190589672 1119942323 /nfs/dbraw/zinc/94/23/23/1119942323.db2.gz HGWZYSBVWKQKDI-UHFFFAOYSA-N -1 3 369.121 4.228 20 0 FIADHM C[C@H](SCc1ncccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000190886728 1119952349 /nfs/dbraw/zinc/95/23/49/1119952349.db2.gz XAXJMEUDXWHBJA-JTQLQIEISA-N -1 3 370.459 4.029 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c(C)o1 ZINC000191863590 1119999040 /nfs/dbraw/zinc/99/90/40/1119999040.db2.gz KTYQAPGSJPVHTG-UHFFFAOYSA-N -1 3 364.648 4.113 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c(C)c1 ZINC000194727839 1120298177 /nfs/dbraw/zinc/29/81/77/1120298177.db2.gz BRFXEISTDUCIPS-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM FC(F)(F)[C@@H]([N-]c1nc(Cl)cc(-n2cccc2)n1)c1ccccn1 ZINC001168476110 1120447378 /nfs/dbraw/zinc/44/73/78/1120447378.db2.gz BVQSIYWHPAEVGH-ZDUSSCGKSA-N -1 3 353.735 4.031 20 0 FIADHM Cc1cc(-c2ccccc2)ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000914733044 1120502474 /nfs/dbraw/zinc/50/24/74/1120502474.db2.gz LQIVAFOSMFUNAR-UHFFFAOYSA-N -1 3 361.445 4.346 20 0 FIADHM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cc(Cl)ncc1Cl ZINC000153347155 1120524961 /nfs/dbraw/zinc/52/49/61/1120524961.db2.gz SEWUWDZUPJMZOH-UHFFFAOYSA-N -1 3 369.208 4.298 20 0 FIADHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000914890448 1120628853 /nfs/dbraw/zinc/62/88/53/1120628853.db2.gz GKFAUYBXCWWWLL-QWHCGFSZSA-N -1 3 370.474 4.215 20 0 FIADHM CC(C)(C)OC(=O)Nc1ccc(Cc2noc(-c3ccccc3[O-])n2)cc1 ZINC000762285348 1120856367 /nfs/dbraw/zinc/85/63/67/1120856367.db2.gz BCQQWMXNQJQYHZ-UHFFFAOYSA-N -1 3 367.405 4.380 20 0 FIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000031669599 1121089600 /nfs/dbraw/zinc/08/96/00/1121089600.db2.gz FBBGRVLJXFPZLG-UHFFFAOYSA-N -1 3 357.834 4.376 20 0 FIADHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1cccc(C(F)(F)F)c1 ZINC000032697068 1121114708 /nfs/dbraw/zinc/11/47/08/1121114708.db2.gz MRVUEECAGRCMKV-NSHDSACASA-N -1 3 360.335 4.038 20 0 FIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(OCC2CCCC2)CC1 ZINC000472268828 1121210420 /nfs/dbraw/zinc/21/04/20/1121210420.db2.gz KAYAUWXRHIXWCR-UHFFFAOYSA-N -1 3 353.462 4.357 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000244150437 1121267271 /nfs/dbraw/zinc/26/72/71/1121267271.db2.gz UUORNSALNBZPGW-UHFFFAOYSA-N -1 3 353.443 4.375 20 0 FIADHM C[C@@]1(c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CCCO1 ZINC000763336685 1121339751 /nfs/dbraw/zinc/33/97/51/1121339751.db2.gz XIYCXEIURNNQBA-FQEVSTJZSA-N -1 3 352.390 4.047 20 0 FIADHM CC(C)c1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)c([O-])c1 ZINC000059368637 1121451021 /nfs/dbraw/zinc/45/10/21/1121451021.db2.gz XSJOWQJVUAMZCW-UHFFFAOYSA-N -1 3 352.478 4.388 20 0 FIADHM Cc1ncc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)s1 ZINC000063451541 1121564008 /nfs/dbraw/zinc/56/40/08/1121564008.db2.gz PPVQCHHHJWQKIB-UHFFFAOYSA-N -1 3 360.508 4.023 20 0 FIADHM CCCCOCCOCc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000063620510 1121573474 /nfs/dbraw/zinc/57/34/74/1121573474.db2.gz GBNSMTBTSVOTEF-UHFFFAOYSA-N -1 3 357.450 4.286 20 0 FIADHM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000123868772 1121640576 /nfs/dbraw/zinc/64/05/76/1121640576.db2.gz KNTZXLQZDGMVEJ-UHFFFAOYSA-N -1 3 364.401 4.321 20 0 FIADHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000064952741 1121647195 /nfs/dbraw/zinc/64/71/95/1121647195.db2.gz YXXXIJWCBCDUOP-SNVBAGLBSA-N -1 3 362.253 4.042 20 0 FIADHM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)ccc21 ZINC000065069790 1121652811 /nfs/dbraw/zinc/65/28/11/1121652811.db2.gz LGOQBKFTZHZRAK-UHFFFAOYSA-N -1 3 370.474 4.033 20 0 FIADHM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)ccc21 ZINC000065069853 1121652993 /nfs/dbraw/zinc/65/29/93/1121652993.db2.gz ZFKOXKYEOJGZRH-UHFFFAOYSA-N -1 3 358.463 4.169 20 0 FIADHM CC[C@@H](CNCc1cc(C(=O)[O-])c(C)o1)Oc1ccccc1C(F)(F)F ZINC000902400202 1121662401 /nfs/dbraw/zinc/66/24/01/1121662401.db2.gz OHYBHLYSDVVFTG-LBPRGKRZSA-N -1 3 371.355 4.252 20 0 FIADHM COc1ccc(OCc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)cc1 ZINC000063579577 1121701625 /nfs/dbraw/zinc/70/16/25/1121701625.db2.gz BNWYBNPBRJSMOT-UHFFFAOYSA-N -1 3 364.426 4.239 20 0 FIADHM Cc1ncsc1CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000066650359 1121752372 /nfs/dbraw/zinc/75/23/72/1121752372.db2.gz LFEXHOXVMJLUEO-UHFFFAOYSA-N -1 3 366.486 4.215 20 0 FIADHM CC(C)(C)n1nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1C1CC1 ZINC000125318078 1121768391 /nfs/dbraw/zinc/76/83/91/1121768391.db2.gz BGALRBHEBBWXPF-UHFFFAOYSA-N -1 3 367.371 4.492 20 0 FIADHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000916730089 1121823339 /nfs/dbraw/zinc/82/33/39/1121823339.db2.gz YZWHXWRGHXQAHK-UHFFFAOYSA-N -1 3 360.866 4.360 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc4ccccc43)nc2)n1 ZINC000068694038 1121840058 /nfs/dbraw/zinc/84/00/58/1121840058.db2.gz DZEDQRHQGSDCDR-UHFFFAOYSA-N -1 3 356.429 4.160 20 0 FIADHM O=C(Oc1ccc(OCc2ccncc2)cc1)c1cc2ccsc2[n-]1 ZINC000916850285 1121874068 /nfs/dbraw/zinc/87/40/68/1121874068.db2.gz RTUGTJWESXEOJQ-UHFFFAOYSA-N -1 3 350.399 4.423 20 0 FIADHM CC[C@H](c1ccc(Br)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000086756013 1121977692 /nfs/dbraw/zinc/97/76/92/1121977692.db2.gz WOTJGQAUEXNXEK-MRXNPFEDSA-N -1 3 354.288 4.477 20 0 FIADHM O=C(NCc1ccc(OC(F)F)c(F)c1)c1cc([O-])c2ccccc2c1 ZINC000511164997 1122004409 /nfs/dbraw/zinc/00/44/09/1122004409.db2.gz MABKLSVPVHLLDX-UHFFFAOYSA-N -1 3 361.319 4.216 20 0 FIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C ZINC000624672061 1122093164 /nfs/dbraw/zinc/09/31/64/1122093164.db2.gz YSTSWVVTIYICJL-AWEZNQCLSA-N -1 3 366.461 4.133 20 0 FIADHM Cc1nc(-c2ccc(NCC3(C(F)(F)F)CCCC3)nc2)[n-]c(=O)c1C ZINC000624706376 1122147733 /nfs/dbraw/zinc/14/77/33/1122147733.db2.gz GFORWZSURDQIAX-UHFFFAOYSA-N -1 3 366.387 4.396 20 0 FIADHM O=C(CCCOc1ccccc1Br)Nc1cccc([O-])c1F ZINC000128197212 1122203745 /nfs/dbraw/zinc/20/37/45/1122203745.db2.gz LNPHWKQPCYELMM-UHFFFAOYSA-N -1 3 368.202 4.092 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000128383083 1122272219 /nfs/dbraw/zinc/27/22/19/1122272219.db2.gz RZQVLAWDROCQCC-UHFFFAOYSA-N -1 3 366.179 4.276 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3sc4cccc(F)c4c3C)n[n-]2)o1 ZINC000497737247 1122382102 /nfs/dbraw/zinc/38/21/02/1122382102.db2.gz YTVKFHHCFGRZOX-UHFFFAOYSA-N -1 3 356.382 4.288 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000497799663 1122417328 /nfs/dbraw/zinc/41/73/28/1122417328.db2.gz NDLIDAMJKGOPOK-LMMKCTJWSA-N -1 3 354.425 4.009 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)cc1 ZINC000917763316 1122437324 /nfs/dbraw/zinc/43/73/24/1122437324.db2.gz HSBMIIHXGBVGKN-UHFFFAOYSA-N -1 3 369.442 4.075 20 0 FIADHM CCC[C@@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000497916782 1122472272 /nfs/dbraw/zinc/47/22/72/1122472272.db2.gz YIXUVRQXFRHFNM-OAHLLOKOSA-N -1 3 360.479 4.171 20 0 FIADHM COCc1c2ccccc2oc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000497975528 1122495309 /nfs/dbraw/zinc/49/53/09/1122495309.db2.gz XFCVFTCHWPQWSX-UHFFFAOYSA-N -1 3 371.443 4.412 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000498020873 1122529377 /nfs/dbraw/zinc/52/93/77/1122529377.db2.gz VMFGOAYEVJGVAW-UHFFFAOYSA-N -1 3 352.189 4.381 20 0 FIADHM O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cccc([O-])c1F ZINC000129421746 1122596110 /nfs/dbraw/zinc/59/61/10/1122596110.db2.gz VQOSMOHKPPHAHY-UHFFFAOYSA-N -1 3 367.376 4.128 20 0 FIADHM CCCCOCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129484723 1122612208 /nfs/dbraw/zinc/61/22/08/1122612208.db2.gz NTQTYTCCCWYMTH-UHFFFAOYSA-N -1 3 356.447 4.424 20 0 FIADHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000498283128 1122681010 /nfs/dbraw/zinc/68/10/10/1122681010.db2.gz PEGHGVGFQKQUAS-QFYYESIMSA-N -1 3 354.233 4.205 20 0 FIADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)cnc1N1CCCC[C@@H]1C ZINC000498642632 1122928336 /nfs/dbraw/zinc/92/83/36/1122928336.db2.gz FRPNLRJHAFRUQY-ZDUSSCGKSA-N -1 3 359.857 4.380 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3csc(Br)c3)n[n-]2)o1 ZINC000919328325 1122952576 /nfs/dbraw/zinc/95/25/76/1122952576.db2.gz BQYRTTNUODITPZ-UHFFFAOYSA-N -1 3 367.224 4.159 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3csc(Br)c3)[n-]n2)o1 ZINC000919328325 1122952578 /nfs/dbraw/zinc/95/25/78/1122952578.db2.gz BQYRTTNUODITPZ-UHFFFAOYSA-N -1 3 367.224 4.159 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3cnc(-c4ccccc4)s3)n[n-]2)o1 ZINC000919328342 1122952666 /nfs/dbraw/zinc/95/26/66/1122952666.db2.gz CHUOZCMSONVUQZ-UHFFFAOYSA-N -1 3 365.414 4.459 20 0 FIADHM Cc1ccc(-c2cc(C(=O)OCc3cnc(-c4ccccc4)s3)[n-]n2)o1 ZINC000919328342 1122952668 /nfs/dbraw/zinc/95/26/68/1122952668.db2.gz CHUOZCMSONVUQZ-UHFFFAOYSA-N -1 3 365.414 4.459 20 0 FIADHM O=C([N-]c1cc(-c2ccccc2)on1)c1cc(F)c(C(F)(F)F)cc1F ZINC000498963936 1123108538 /nfs/dbraw/zinc/10/85/38/1123108538.db2.gz SDUOPTDACWNVDV-UHFFFAOYSA-N -1 3 368.261 4.313 20 0 FIADHM CCCc1ncc(C(=O)[N-]c2nc(-c3sccc3C)ns2)s1 ZINC000131692064 1123163271 /nfs/dbraw/zinc/16/32/71/1123163271.db2.gz VUCDOFQRGBIIPX-UHFFFAOYSA-N -1 3 350.494 4.236 20 0 FIADHM Cc1nc(C)c(CC(=O)OCc2ccc(C(C)C)cc2C(C)C)c(=O)[n-]1 ZINC000920523970 1123472322 /nfs/dbraw/zinc/47/23/22/1123472322.db2.gz RCHPLPAMMXWCOR-UHFFFAOYSA-N -1 3 356.466 4.332 20 0 FIADHM CCNc1nc(C(=O)[N-]c2nnc(C(C)(C)c3ccccc3)s2)cs1 ZINC000133490232 1123493056 /nfs/dbraw/zinc/49/30/56/1123493056.db2.gz AANCOVBBKJOOEQ-UHFFFAOYSA-N -1 3 373.507 4.005 20 0 FIADHM O=C([N-][C@@H]1CCSc2ccc(F)cc21)C(F)(F)c1ccc(F)cc1 ZINC000920842350 1123527283 /nfs/dbraw/zinc/52/72/83/1123527283.db2.gz BPOOFVHDAXBOBZ-CQSZACIVSA-N -1 3 355.356 4.410 20 0 FIADHM Cc1cccc2[nH]c(CCC(=O)Nc3ccc([O-])c(C(F)(F)F)c3)nc21 ZINC000134138606 1123595007 /nfs/dbraw/zinc/59/50/07/1123595007.db2.gz ATAJUIPFIKIHOC-UHFFFAOYSA-N -1 3 363.339 4.167 20 0 FIADHM C[C@H]1CSc2ccccc2N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000134157523 1123597635 /nfs/dbraw/zinc/59/76/35/1123597635.db2.gz BWIGFGKTZMPTSR-LBPRGKRZSA-N -1 3 363.442 4.170 20 0 FIADHM CCC(=O)c1ccc(OCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000134198031 1123604289 /nfs/dbraw/zinc/60/42/89/1123604289.db2.gz SUSSZIYCQBDFEI-UHFFFAOYSA-N -1 3 367.323 4.021 20 0 FIADHM CN(CCC1CC1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000135287415 1123734756 /nfs/dbraw/zinc/73/47/56/1123734756.db2.gz JVJLJSXISRNCKC-UHFFFAOYSA-N -1 3 357.454 4.023 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1C ZINC000135357430 1123742519 /nfs/dbraw/zinc/74/25/19/1123742519.db2.gz LJFDZFZOKOGAMU-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM Cc1ccc(CCCC(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)s1 ZINC000079439602 1123893901 /nfs/dbraw/zinc/89/39/01/1123893901.db2.gz QEMNDPPLIKFNPI-UHFFFAOYSA-N -1 3 367.474 4.077 20 0 FIADHM COc1cc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc(OC)c1[O-] ZINC000136725151 1123929560 /nfs/dbraw/zinc/92/95/60/1123929560.db2.gz HDDFQQUKINUGNJ-OAHLLOKOSA-N -1 3 361.825 4.040 20 0 FIADHM CC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1cccs1 ZINC000137184670 1123964761 /nfs/dbraw/zinc/96/47/61/1123964761.db2.gz UCZBRQBYDLUOCB-GFCCVEGCSA-N -1 3 369.284 4.167 20 0 FIADHM CCOc1cc(/C=C/C(=O)c2ccc(NC(C)=O)cc2)cc(Cl)c1[O-] ZINC000180448558 1124327270 /nfs/dbraw/zinc/32/72/70/1124327270.db2.gz LZOGZALCVZSYMQ-RUDMXATFSA-N -1 3 359.809 4.299 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000616608108 1124350210 /nfs/dbraw/zinc/35/02/10/1124350210.db2.gz VLMBQLALVWSAOA-IHPCNDPISA-N -1 3 369.486 4.249 20 0 FIADHM C[C@@H]1C[C@H](C)N(Cc2csc(-c3ccsc3)n2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903950270 1124730515 /nfs/dbraw/zinc/73/05/15/1124730515.db2.gz POMICBKNMUAGRR-NWJSVONSSA-N -1 3 350.509 4.191 20 0 FIADHM C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000111210991 1124873947 /nfs/dbraw/zinc/87/39/47/1124873947.db2.gz RLTSFKPHNFASDV-LBPRGKRZSA-N -1 3 374.868 4.100 20 0 FIADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2sccc2COC)cc1 ZINC000181421178 1124913636 /nfs/dbraw/zinc/91/36/36/1124913636.db2.gz WOEJXSOAPZALQU-GUYCJALGSA-N -1 3 370.474 4.369 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)c([O-])c1 ZINC000092552091 1125218569 /nfs/dbraw/zinc/21/85/69/1125218569.db2.gz VNQOWMBVAZRWIS-UHFFFAOYSA-N -1 3 354.189 4.128 20 0 FIADHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c(Cl)c1 ZINC000057785651 221094115 /nfs/dbraw/zinc/09/41/15/221094115.db2.gz YZOUUEQLAYANQG-UHFFFAOYSA-N -1 3 373.261 4.061 20 0 FIADHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000064374586 221146104 /nfs/dbraw/zinc/14/61/04/221146104.db2.gz JIMVOIJWOWNYBY-UHFFFAOYSA-N -1 3 353.871 4.348 20 0 FIADHM Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)c([O-])c1 ZINC000105639235 222372162 /nfs/dbraw/zinc/37/21/62/222372162.db2.gz VUEFRZOFOKOFJX-UHFFFAOYSA-N -1 3 352.415 4.267 20 0 FIADHM COc1cccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1[O-] ZINC000090554903 525835609 /nfs/dbraw/zinc/83/56/09/525835609.db2.gz MFQDLXGYPODBIZ-UHFFFAOYSA-N -1 3 363.413 4.275 20 0 FIADHM COc1cc(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)cc(OC)c1[O-] ZINC000186561175 567942616 /nfs/dbraw/zinc/94/26/16/567942616.db2.gz GFFLBVKMZQDASQ-VIFPVBQESA-N -1 3 370.232 4.207 20 0 FIADHM CC(=O)Nc1sc(NC(=O)c2cccc(C)c2[O-])nc1-c1ccccc1 ZINC000187019131 568000633 /nfs/dbraw/zinc/00/06/33/568000633.db2.gz LKJYURSOPWXOMY-UHFFFAOYSA-N -1 3 367.430 4.035 20 0 FIADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1cc(Cl)ccc1Cl ZINC000522758358 568053362 /nfs/dbraw/zinc/05/33/62/568053362.db2.gz UFZCDSKHBDBLRY-GFCCVEGCSA-N -1 3 360.287 4.119 20 0 FIADHM CCc1ccc([O-])c(C(=O)NCc2cccc(COCc3ccco3)c2)c1 ZINC000522759444 568059659 /nfs/dbraw/zinc/05/96/59/568059659.db2.gz VURWRXAHOFBENC-UHFFFAOYSA-N -1 3 365.429 4.194 20 0 FIADHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]Cc1cc2ccccc2o1 ZINC000603501844 568113108 /nfs/dbraw/zinc/11/31/08/568113108.db2.gz FUXIBKBEPCSFNM-UHFFFAOYSA-N -1 3 370.257 4.359 20 0 FIADHM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000604266514 568237362 /nfs/dbraw/zinc/23/73/62/568237362.db2.gz JXKRBEVWPRCIJY-PBHICJAKSA-N -1 3 372.465 4.162 20 0 FIADHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)C ZINC000604406939 568268316 /nfs/dbraw/zinc/26/83/16/568268316.db2.gz DDVAXLMHIBCNFA-OAHLLOKOSA-N -1 3 373.305 4.372 20 0 FIADHM COC(=O)c1cc([N-]C(=O)c2cc(Cl)sc2Cl)c(F)cc1F ZINC000030820983 568310651 /nfs/dbraw/zinc/31/06/51/568310651.db2.gz SCUSHLBCYYPKHS-UHFFFAOYSA-N -1 3 366.172 4.372 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)cc1Br ZINC000604856578 568378593 /nfs/dbraw/zinc/37/85/93/568378593.db2.gz RSXQKNDKJLTODE-UHFFFAOYSA-N -1 3 372.259 4.314 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000604901729 568385025 /nfs/dbraw/zinc/38/50/25/568385025.db2.gz CPYOTVFPHOAVSD-UHFFFAOYSA-N -1 3 359.731 4.434 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)c2cc3sc(N(C)C)nc3s2)c1[O-] ZINC000604902147 568385061 /nfs/dbraw/zinc/38/50/61/568385061.db2.gz OBKMOYGOKNSROM-UHFFFAOYSA-N -1 3 367.883 4.344 20 0 FIADHM FC(F)(F)COc1cccc(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000604932933 568395319 /nfs/dbraw/zinc/39/53/19/568395319.db2.gz CUNYBMORSNRTID-UHFFFAOYSA-N -1 3 366.368 4.100 20 0 FIADHM Cc1cc(C)c(C(=O)[C@H](C)Sc2n[n-]c(-c3ccccn3)n2)cc1C ZINC000604933115 568395471 /nfs/dbraw/zinc/39/54/71/568395471.db2.gz ALTNELMJXRWDMQ-AWEZNQCLSA-N -1 3 352.463 4.155 20 0 FIADHM O=C(Nc1nc2ccsc2s1)c1ccc2nc(C(F)F)[n-]c2c1 ZINC000605116017 568572520 /nfs/dbraw/zinc/57/25/20/568572520.db2.gz TUAPLYAUELCXPE-UHFFFAOYSA-N -1 3 350.375 4.424 20 0 FIADHM CN(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C1CC(C)(C)CC(C)(C)C1 ZINC001598536782 992848684 /nfs/dbraw/zinc/84/86/84/992848684.db2.gz GMUXWJZOLBMCOQ-UHFFFAOYSA-N -1 3 371.481 4.070 20 0 FIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000152934917 1125693114 /nfs/dbraw/zinc/69/31/14/1125693114.db2.gz IZRNODKPJNGSKT-UHFFFAOYSA-N -1 3 357.410 4.299 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCCC[C@H]3C)cc2)cc(=O)[n-]1 ZINC000619929088 1125732373 /nfs/dbraw/zinc/73/23/73/1125732373.db2.gz WVQGEAMSTDYSRD-CZUORRHYSA-N -1 3 354.454 4.105 20 0 FIADHM CSCCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000153277483 1125768528 /nfs/dbraw/zinc/76/85/28/1125768528.db2.gz LLSKKWSOIOXLGB-UHFFFAOYSA-N -1 3 352.506 4.231 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000683170334 1079795375 /nfs/dbraw/zinc/79/53/75/1079795375.db2.gz KZVJWGRBUHZOTQ-XJKSGUPXSA-N -1 3 363.479 4.240 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3cccs3)s2)cc1 ZINC000683171825 1079800220 /nfs/dbraw/zinc/80/02/20/1079800220.db2.gz QEIKZVFOKFHYFU-HNNXBMFYSA-N -1 3 374.487 4.186 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000683175566 1079815711 /nfs/dbraw/zinc/81/57/11/1079815711.db2.gz XFGRWDZUXLAZBO-CQSZACIVSA-N -1 3 354.631 4.018 20 0 FIADHM O=C(NN=c1ccc(Cl)n[n-]1)Nc1ccc2c(c1)oc1ccccc12 ZINC000092425002 1079817986 /nfs/dbraw/zinc/81/79/86/1079817986.db2.gz JWFKCDHMRHYZHC-UHFFFAOYSA-N -1 3 353.769 4.178 20 0 FIADHM CC(C)Cc1nnc([N-]C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)s1 ZINC000683187044 1079873540 /nfs/dbraw/zinc/87/35/40/1079873540.db2.gz YVGPTZHYJITGFI-UHFFFAOYSA-N -1 3 365.327 4.286 20 0 FIADHM C[C@H](c1cccs1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000023873378 1080026097 /nfs/dbraw/zinc/02/60/97/1080026097.db2.gz NMGJJQRRNHFIOR-LLVKDONJSA-N -1 3 371.487 4.499 20 0 FIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000274788863 1080043078 /nfs/dbraw/zinc/04/30/78/1080043078.db2.gz BPCWYXMDKADTBF-INIZCTEOSA-N -1 3 363.801 4.107 20 0 FIADHM O=C([N-]O[C@H]1CCCCO1)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000274788863 1080043088 /nfs/dbraw/zinc/04/30/88/1080043088.db2.gz BPCWYXMDKADTBF-INIZCTEOSA-N -1 3 363.801 4.107 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(-c3ccccc3)c(C)c2)c1 ZINC001625803969 1080051563 /nfs/dbraw/zinc/05/15/63/1080051563.db2.gz JSGDBJQCOZJIMT-UHFFFAOYSA-N -1 3 374.440 4.256 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000109127514 1080077912 /nfs/dbraw/zinc/07/79/12/1080077912.db2.gz JZQSNOMGQQSVDY-UHFFFAOYSA-N -1 3 371.799 4.111 20 0 FIADHM CC(C)(C)c1nc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2s1 ZINC000579851011 1080099584 /nfs/dbraw/zinc/09/95/84/1080099584.db2.gz FOGCMJJRNNQFPY-UHFFFAOYSA-N -1 3 368.462 4.219 20 0 FIADHM CC(C)Cn1ncc(C(=O)Nc2cc(F)ccc2[O-])c1-c1ccccc1 ZINC000430268479 1080255725 /nfs/dbraw/zinc/25/57/25/1080255725.db2.gz JTXMZEQUEJWNLR-UHFFFAOYSA-N -1 3 353.397 4.303 20 0 FIADHM C[C@@H](SCc1ccno1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000073894530 1080256411 /nfs/dbraw/zinc/25/64/11/1080256411.db2.gz VMFLWHZDKSQDKC-SECBINFHSA-N -1 3 359.432 4.227 20 0 FIADHM COc1cc(Cl)c(Br)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000430270102 1080280315 /nfs/dbraw/zinc/28/03/15/1080280315.db2.gz QXSXPWMXSUXXQM-UHFFFAOYSA-N -1 3 374.593 4.208 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1cc(F)ccc1Oc1ccccc1 ZINC000471276294 1080782185 /nfs/dbraw/zinc/78/21/85/1080782185.db2.gz IKLYLLYBQFEXQV-UHFFFAOYSA-N -1 3 353.353 4.040 20 0 FIADHM O=c1cc(CSCc2ncc(-c3ccccc3F)o2)nc(C2CC2)[n-]1 ZINC000579936325 1081083878 /nfs/dbraw/zinc/08/38/78/1081083878.db2.gz DKHHVZUPNSZHNK-UHFFFAOYSA-N -1 3 357.410 4.287 20 0 FIADHM CCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)C2CC2)c([O-])c1 ZINC001648822732 1081251140 /nfs/dbraw/zinc/25/11/40/1081251140.db2.gz RTLKFBHQXOGVQO-FQEVSTJZSA-N -1 3 353.462 4.495 20 0 FIADHM Cc1sc([C@@H]2CCCN2c2ccnc3ccc(C)cc32)nc1C(=O)[O-] ZINC000579958191 1081262122 /nfs/dbraw/zinc/26/21/22/1081262122.db2.gz UPWYJWIBLKNNDR-INIZCTEOSA-N -1 3 353.447 4.348 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3C[C@H]3c3ccccc3Cl)nc2)n1 ZINC000068698582 1081483358 /nfs/dbraw/zinc/48/33/58/1081483358.db2.gz HIZYRUILLWFGME-DOTOQJQBSA-N -1 3 366.852 4.016 20 0 FIADHM CC(C)(C)c1ncc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)s1 ZINC000255297037 1081791960 /nfs/dbraw/zinc/79/19/60/1081791960.db2.gz QQFSLJRERNTKBV-SREVYHEPSA-N -1 3 360.464 4.308 20 0 FIADHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000622738940 1081861084 /nfs/dbraw/zinc/86/10/84/1081861084.db2.gz MYULUMBEXIOEAF-CQSZACIVSA-N -1 3 355.482 4.159 20 0 FIADHM [O-]c1cccc(Nc2cc(Br)cnc2F)c1Br ZINC001211271377 1082093054 /nfs/dbraw/zinc/09/30/54/1082093054.db2.gz LYCCGJUPDJRLDG-UHFFFAOYSA-N -1 3 361.996 4.195 20 0 FIADHM CCCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](CC)c1ccccc1 ZINC000580961418 1082252730 /nfs/dbraw/zinc/25/27/30/1082252730.db2.gz SAHVTOZDFCFFNA-SFHVURJKSA-N -1 3 353.466 4.453 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000156920686 1082386387 /nfs/dbraw/zinc/38/63/87/1082386387.db2.gz MDKGHNZZCSBGBS-FQEVSTJZSA-N -1 3 368.383 4.259 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)sc1C ZINC000684235806 1082544250 /nfs/dbraw/zinc/54/42/50/1082544250.db2.gz FHDWLXNXXVITCB-UHFFFAOYSA-N -1 3 368.846 4.323 20 0 FIADHM CCCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)c(C)c1 ZINC000656565168 1082581113 /nfs/dbraw/zinc/58/11/13/1082581113.db2.gz HGKIROWKAWIUIQ-FQEVSTJZSA-N -1 3 357.450 4.098 20 0 FIADHM CC(C)CO[N-]C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000276335189 1082639562 /nfs/dbraw/zinc/63/95/62/1082639562.db2.gz HLBBYFOAMXHYRX-UHFFFAOYSA-N -1 3 372.252 4.070 20 0 FIADHM CCOC(=O)c1sc(NC(=O)c2cc([O-])ccc2Cl)nc1C(C)C ZINC000581638835 1082738026 /nfs/dbraw/zinc/73/80/26/1082738026.db2.gz LOKWEEQYUBBAMM-UHFFFAOYSA-N -1 3 368.842 4.055 20 0 FIADHM CCC(C)(C)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC000656758062 1082752221 /nfs/dbraw/zinc/75/22/21/1082752221.db2.gz WQFNKMKJHZWOCW-ZBFHGGJFSA-N -1 3 357.416 4.459 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000656761390 1082753059 /nfs/dbraw/zinc/75/30/59/1082753059.db2.gz QGFPLJPUHLIUJE-QGZVFWFLSA-N -1 3 355.482 4.157 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(-c3cccs3)n2)[C@@H]2CCCC[C@H]12 ZINC000656763200 1082754554 /nfs/dbraw/zinc/75/45/54/1082754554.db2.gz FEBSBHGEXATHRP-RBSFLKMASA-N -1 3 362.520 4.337 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2csc(Cc3ccccc3)n2)[C@H]2CCCC[C@@H]12 ZINC000656766370 1082759121 /nfs/dbraw/zinc/75/91/21/1082759121.db2.gz QVXPPXQHTUSMPO-OTWHNJEPSA-N -1 3 370.518 4.199 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656768912 1082761576 /nfs/dbraw/zinc/76/15/76/1082761576.db2.gz OHXHWARZMVXYHV-PVUWLOKVSA-N -1 3 372.292 4.400 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c1 ZINC000581763396 1082883057 /nfs/dbraw/zinc/88/30/57/1082883057.db2.gz XZCIVVLTESBMKF-UHFFFAOYSA-N -1 3 374.849 4.200 20 0 FIADHM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)oc1C ZINC000054294094 1083103594 /nfs/dbraw/zinc/10/35/94/1083103594.db2.gz IDYFNDOUAHYMKI-UHFFFAOYSA-N -1 3 356.447 4.376 20 0 FIADHM CCN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1nc(C)cs1 ZINC000091683432 1083272183 /nfs/dbraw/zinc/27/21/83/1083272183.db2.gz CJKNOUJCIMZRQF-UHFFFAOYSA-N -1 3 368.458 4.403 20 0 FIADHM CCCc1cccc(C(C)C)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000471911720 1083302927 /nfs/dbraw/zinc/30/29/27/1083302927.db2.gz RVGXZYWWAHBTDU-UHFFFAOYSA-N -1 3 369.391 4.221 20 0 FIADHM CC(C)Oc1cccnc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000431034893 1083310262 /nfs/dbraw/zinc/31/02/62/1083310262.db2.gz PJADBLKLEHWONL-UHFFFAOYSA-N -1 3 372.475 4.124 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000016088966 1083353105 /nfs/dbraw/zinc/35/31/05/1083353105.db2.gz GTIQPAAMBRHSNH-UHFFFAOYSA-N -1 3 350.654 4.125 20 0 FIADHM CSc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000426785249 1083564523 /nfs/dbraw/zinc/56/45/23/1083564523.db2.gz OXQZBLKTOSJGND-OAHLLOKOSA-N -1 3 366.280 4.087 20 0 FIADHM CCOc1ccccc1[C@H](CC)NCc1cc(=O)oc2cc([O-])ccc12 ZINC000179742444 1083620149 /nfs/dbraw/zinc/62/01/49/1083620149.db2.gz IXDORGJUPVSHFG-SFHVURJKSA-N -1 3 353.418 4.138 20 0 FIADHM O=C([O-])CC1(CNCc2csc(-c3cccs3)n2)CCCCC1 ZINC000276990167 1083705110 /nfs/dbraw/zinc/70/51/10/1083705110.db2.gz JTPCRHQPVFKOPY-UHFFFAOYSA-N -1 3 350.509 4.386 20 0 FIADHM Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(Cl)cc3[O-])sc21 ZINC000472437905 1083896352 /nfs/dbraw/zinc/89/63/52/1083896352.db2.gz DQFAUQPLSWOIJM-UHFFFAOYSA-N -1 3 357.769 4.184 20 0 FIADHM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN[C@H](C)CCCC(=O)[O-] ZINC000277187630 1083980760 /nfs/dbraw/zinc/98/07/60/1083980760.db2.gz FSWZAZHZEODCIU-CQSZACIVSA-N -1 3 363.889 4.184 20 0 FIADHM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@@H](C)CCCC(=O)[O-] ZINC000277222417 1084034806 /nfs/dbraw/zinc/03/48/06/1084034806.db2.gz HYNGODQDOGWQNW-NSHDSACASA-N -1 3 370.280 4.221 20 0 FIADHM CC(C)n1cc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)cn1 ZINC000277263036 1084097731 /nfs/dbraw/zinc/09/77/31/1084097731.db2.gz KWSIWFISGAPLNP-INIZCTEOSA-N -1 3 370.280 4.467 20 0 FIADHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)c(Cl)c(OC)c1 ZINC000413929418 1084110909 /nfs/dbraw/zinc/11/09/09/1084110909.db2.gz FZSZLZHVHVKVHQ-UHFFFAOYSA-N -1 3 367.804 4.163 20 0 FIADHM O=C([O-])CCCCCCCNCc1csc(-c2ccc(F)cc2)n1 ZINC000277299405 1084196330 /nfs/dbraw/zinc/19/63/30/1084196330.db2.gz MVPZQSKFYIDVQX-UHFFFAOYSA-N -1 3 350.459 4.464 20 0 FIADHM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1cc(Cl)cc(Cl)c1 ZINC000511401365 1084225626 /nfs/dbraw/zinc/22/56/26/1084225626.db2.gz YTQOOCYCFGCPAC-UHFFFAOYSA-N -1 3 362.200 4.004 20 0 FIADHM COc1ccc([C@@H](NCc2cc([O-])cc(F)c2)c2ccccc2OC)cc1 ZINC000472076499 1084246654 /nfs/dbraw/zinc/24/66/54/1084246654.db2.gz CUZYENLHNHBDMJ-JOCHJYFZSA-N -1 3 367.420 4.428 20 0 FIADHM O=C([N-]c1nnc(-c2ccccn2)s1)c1occc1-c1ccc(F)cc1 ZINC000160378861 1084320764 /nfs/dbraw/zinc/32/07/64/1084320764.db2.gz VRUHBLRQWFOYOE-UHFFFAOYSA-N -1 3 366.377 4.252 20 0 FIADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccc2c(c1)CCCO2 ZINC001167509695 1084327412 /nfs/dbraw/zinc/32/74/12/1084327412.db2.gz SMPLCFRVZTXTKX-GFCCVEGCSA-N -1 3 353.443 4.423 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)o1 ZINC000431334596 1084456998 /nfs/dbraw/zinc/45/69/98/1084456998.db2.gz ZRJNSEVMWLJBGR-UHFFFAOYSA-N -1 3 374.491 4.332 20 0 FIADHM O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc([O-])ccc1Cl ZINC000431779311 1084518812 /nfs/dbraw/zinc/51/88/12/1084518812.db2.gz SKEAQZHAZJISJT-UHFFFAOYSA-N -1 3 372.783 4.302 20 0 FIADHM O=C(Nc1ncccc1[O-])[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000544024485 1084574162 /nfs/dbraw/zinc/57/41/62/1084574162.db2.gz FNTVNDDUYIQMST-OLZOCXBDSA-N -1 3 351.431 4.085 20 0 FIADHM Cc1c2ccc(F)cc2sc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321409 1084619729 /nfs/dbraw/zinc/61/97/29/1084619729.db2.gz RQEVUHVHXVSOKD-UHFFFAOYSA-N -1 3 371.437 4.042 20 0 FIADHM Cc1nc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c(-c2ccccc2)s1 ZINC000636353382 1084720157 /nfs/dbraw/zinc/72/01/57/1084720157.db2.gz DERPPOVENTVKIQ-GFCCVEGCSA-N -1 3 372.475 4.074 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=C3CCC(C)(C)CC3)cc2)n1 ZINC000161251654 1084948616 /nfs/dbraw/zinc/94/86/16/1084948616.db2.gz HNACAMMZZDJFRB-UHFFFAOYSA-N -1 3 351.450 4.210 20 0 FIADHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000582441795 1085006080 /nfs/dbraw/zinc/00/60/80/1085006080.db2.gz PYDFEMXKCZEKAR-IBGZPJMESA-N -1 3 359.441 4.472 20 0 FIADHM O=c1nc(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)[n-]c2ccsc21 ZINC000511878278 1085281094 /nfs/dbraw/zinc/28/10/94/1085281094.db2.gz XPIMAPCRZHOACK-INMHGKMJSA-N -1 3 351.475 4.165 20 0 FIADHM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC001211554606 1085443997 /nfs/dbraw/zinc/44/39/97/1085443997.db2.gz BBAMKTFAVMIICS-LBPRGKRZSA-N -1 3 373.902 4.247 20 0 FIADHM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC001211554634 1085445529 /nfs/dbraw/zinc/44/55/29/1085445529.db2.gz CASRDUXJNRXKBO-CYBMUJFWSA-N -1 3 371.474 4.041 20 0 FIADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1 ZINC000243497497 1085701760 /nfs/dbraw/zinc/70/17/60/1085701760.db2.gz NTMGGMLHWIVXMD-UHFFFAOYSA-N -1 3 358.507 4.385 20 0 FIADHM C[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC001211671178 1085747745 /nfs/dbraw/zinc/74/77/45/1085747745.db2.gz BAJNOTSHKKOHHB-LBPRGKRZSA-N -1 3 358.290 4.466 20 0 FIADHM [O-]c1cc(F)cc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000473143918 1085818384 /nfs/dbraw/zinc/81/83/84/1085818384.db2.gz GWCHOTLEQBXATH-GOSISDBHSA-N -1 3 353.397 4.309 20 0 FIADHM CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000582850873 1085834303 /nfs/dbraw/zinc/83/43/03/1085834303.db2.gz DTYDWDONVOEZNO-UONOGXRCSA-N -1 3 372.328 4.253 20 0 FIADHM CCN(Cc1c(Cl)cccc1C(=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000652434075 1086039289 /nfs/dbraw/zinc/03/92/89/1086039289.db2.gz PWCVIIRXXOVIKE-MRXNPFEDSA-N -1 3 361.869 4.118 20 0 FIADHM C[C@@H](c1ccc(OC(F)(F)F)cc1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470659 1086085513 /nfs/dbraw/zinc/08/55/13/1086085513.db2.gz DSAKOMYBCBTMRO-YVEFUNNKSA-N -1 3 365.351 4.330 20 0 FIADHM O=C([O-])[C@H]1CN(CCc2cc(Cl)ccc2Cl)Cc2ccccc21 ZINC000652470052 1086090232 /nfs/dbraw/zinc/09/02/32/1086090232.db2.gz MLROFOBPPTYWEU-INIZCTEOSA-N -1 3 350.245 4.220 20 0 FIADHM C=CCN(Cc1ccc(Cl)s1)C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000188069973 1086105293 /nfs/dbraw/zinc/10/52/93/1086105293.db2.gz RZMIEKZNZOOZCN-GXDHUFHOSA-N -1 3 358.850 4.229 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C1CC1 ZINC000652515279 1086144338 /nfs/dbraw/zinc/14/43/38/1086144338.db2.gz WNXMHTGIKXFPJU-JKSUJKDBSA-N -1 3 362.882 4.006 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@@H](C)COC)cc2)CC)n1 ZINC000663227973 1086258230 /nfs/dbraw/zinc/25/82/30/1086258230.db2.gz PFMJJANIEHXOAG-YSKWHIJTSA-N -1 3 356.466 4.087 20 0 FIADHM CC(=CC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000052147159 1086344374 /nfs/dbraw/zinc/34/43/74/1086344374.db2.gz VACDBUBQEZAHOL-OEYXZAGESA-N -1 3 368.458 4.309 20 0 FIADHM Cc1cc(CN2CCC(CCC(=O)[O-])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000662216372 1086347964 /nfs/dbraw/zinc/34/79/64/1086347964.db2.gz KOSGXVLXTFRNCP-UHFFFAOYSA-N -1 3 373.884 4.182 20 0 FIADHM [O-]c1ccc(CNc2nc(C(F)(F)F)cs2)cc1Br ZINC000154337622 1086352593 /nfs/dbraw/zinc/35/25/93/1086352593.db2.gz LTVVBLUYFBVETJ-UHFFFAOYSA-N -1 3 353.163 4.242 20 0 FIADHM CC(C)Sc1ccc([C@@H](C)N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000728853807 1086424834 /nfs/dbraw/zinc/42/48/34/1086424834.db2.gz DBVWQGCZBOIBBY-VCRXTVNUSA-N -1 3 366.486 4.149 20 0 FIADHM COc1cc(Br)c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1[O-] ZINC000005071094 1086507318 /nfs/dbraw/zinc/50/73/18/1086507318.db2.gz XOZKDLLEUPSQJE-IZZDOVSWSA-N -1 3 370.206 4.104 20 0 FIADHM CC(C)[C@H](O)[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000657748954 1086538787 /nfs/dbraw/zinc/53/87/87/1086538787.db2.gz XNLCUFONVIZFDV-ROUUACIJSA-N -1 3 364.283 4.003 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC12CCCCC2 ZINC000536225560 1086624412 /nfs/dbraw/zinc/62/44/12/1086624412.db2.gz LYMKZQXMVZGHTB-UHFFFAOYSA-N -1 3 367.287 4.163 20 0 FIADHM COc1ccc(F)cc1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000187586359 1086650806 /nfs/dbraw/zinc/65/08/06/1086650806.db2.gz IKCYULMKGKBDIR-SECBINFHSA-N -1 3 372.209 4.292 20 0 FIADHM Cc1cccc2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)oc21 ZINC000147089643 1086713236 /nfs/dbraw/zinc/71/32/36/1086713236.db2.gz RXTFBLZCKRPRQF-CYBMUJFWSA-N -1 3 352.777 4.356 20 0 FIADHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC000242732206 1086723201 /nfs/dbraw/zinc/72/32/01/1086723201.db2.gz DCZLPYSYHPMELJ-UHFFFAOYSA-N -1 3 360.262 4.420 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000107062888 1086754554 /nfs/dbraw/zinc/75/45/54/1086754554.db2.gz BRORBOSSHZKBBW-UHFFFAOYSA-N -1 3 368.861 4.270 20 0 FIADHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000512134582 1086807395 /nfs/dbraw/zinc/80/73/95/1086807395.db2.gz XJMMEHTYKDAWSB-UHFFFAOYSA-N -1 3 370.430 4.449 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(Cl)nc(Cl)c1 ZINC000261370461 1086827230 /nfs/dbraw/zinc/82/72/30/1086827230.db2.gz LPLCGJSXRJJWDX-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc1 ZINC000583642230 1086890068 /nfs/dbraw/zinc/89/00/68/1086890068.db2.gz SJPAYQKNNVMPKG-CQSZACIVSA-N -1 3 358.747 4.059 20 0 FIADHM COc1ccc(Cl)cc1NCCC(=O)Nc1c([O-])cccc1Cl ZINC000583841245 1086989496 /nfs/dbraw/zinc/98/94/96/1086989496.db2.gz LCODWQCYOPWCAL-UHFFFAOYSA-N -1 3 355.221 4.148 20 0 FIADHM Cc1ccc(C[C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccn2)cc1 ZINC000583965037 1087066006 /nfs/dbraw/zinc/06/60/06/1087066006.db2.gz OSKCUCVKKSSVBF-FQEVSTJZSA-N -1 3 366.848 4.463 20 0 FIADHM CC(C)(C)n1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C(F)(F)F ZINC000536213875 1087166883 /nfs/dbraw/zinc/16/68/83/1087166883.db2.gz JALVNRVJXWCHIN-UHFFFAOYSA-N -1 3 361.751 4.268 20 0 FIADHM CC(C)c1nc(C(=O)[N-]c2c(F)cccc2F)nn1-c1ccccc1F ZINC000151658109 1087195267 /nfs/dbraw/zinc/19/52/67/1087195267.db2.gz LEUYBOIOGMHJLO-UHFFFAOYSA-N -1 3 360.339 4.060 20 0 FIADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H](C)c1cccc(O)c1 ZINC000080931220 1087284124 /nfs/dbraw/zinc/28/41/24/1087284124.db2.gz XYRBQVKIYFAIPI-ZDUSSCGKSA-N -1 3 363.417 4.370 20 0 FIADHM CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc([O-])c3F)n2)cc1 ZINC000128225237 1087418935 /nfs/dbraw/zinc/41/89/35/1087418935.db2.gz PCOAXXPHWKLZRL-UHFFFAOYSA-N -1 3 369.396 4.276 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-c2nncn2C(C)C)c1 ZINC000092428719 1087439249 /nfs/dbraw/zinc/43/92/49/1087439249.db2.gz FKZGXRFMLNBYEE-UHFFFAOYSA-N -1 3 350.422 4.046 20 0 FIADHM Cc1ccc(CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C(C)C)s1 ZINC000144911902 1087493206 /nfs/dbraw/zinc/49/32/06/1087493206.db2.gz DRENNHZOKIWEQN-UHFFFAOYSA-N -1 3 367.474 4.450 20 0 FIADHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000536218929 1087513719 /nfs/dbraw/zinc/51/37/19/1087513719.db2.gz FVOKPFVGKHWJRW-UHFFFAOYSA-N -1 3 355.825 4.160 20 0 FIADHM C[C@@H](c1c(F)cccc1F)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468392400 1087543438 /nfs/dbraw/zinc/54/34/38/1087543438.db2.gz LCRKMSTWTSPVAZ-LBPRGKRZSA-N -1 3 351.368 4.352 20 0 FIADHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000685677160 1087679558 /nfs/dbraw/zinc/67/95/58/1087679558.db2.gz YOHBIZWEAXYRKI-DNVCBOLYSA-N -1 3 359.853 4.286 20 0 FIADHM O=S(=O)([N-]CCc1ccc2ccccc2c1)c1ccc(Cl)s1 ZINC000030378865 1087736731 /nfs/dbraw/zinc/73/67/31/1087736731.db2.gz MOOZNQYQKMSUPZ-UHFFFAOYSA-N -1 3 351.880 4.076 20 0 FIADHM COc1ccc(CN(C(=O)c2ccc(C)cc2[O-])[C@H](C)C2CC2)c(OC)c1 ZINC000549075924 1087973183 /nfs/dbraw/zinc/97/31/83/1087973183.db2.gz LAAPNKHBRGXRAB-OAHLLOKOSA-N -1 3 369.461 4.159 20 0 FIADHM CCCOc1c(Cl)cc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1OCC ZINC000424420478 1087973603 /nfs/dbraw/zinc/97/36/03/1087973603.db2.gz QPQKZDANCMHXIC-GUYCJALGSA-N -1 3 369.889 4.213 20 0 FIADHM Cc1cccc(COc2cccc(CC(=O)[N-]OCCC(F)(F)F)c2)c1 ZINC000162855577 1088008920 /nfs/dbraw/zinc/00/89/20/1088008920.db2.gz PXBZTOYZUUDUSU-UHFFFAOYSA-N -1 3 367.367 4.117 20 0 FIADHM Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ncccc4[O-])cc3)o2)c1 ZINC000030876804 1088079266 /nfs/dbraw/zinc/07/92/66/1088079266.db2.gz AKEGPMIJWMVBEK-UHFFFAOYSA-N -1 3 372.384 4.065 20 0 FIADHM Cc1cc(F)c(CNC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000424619650 1088102214 /nfs/dbraw/zinc/10/22/14/1088102214.db2.gz NVVMTCQWNJKRON-ZDUSSCGKSA-N -1 3 353.796 4.275 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000505157494 1088199359 /nfs/dbraw/zinc/19/93/59/1088199359.db2.gz WSBKWFNVKWOMQF-AWEZNQCLSA-N -1 3 368.408 4.255 20 0 FIADHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000505296805 1088330074 /nfs/dbraw/zinc/33/00/74/1088330074.db2.gz YHKIZAAASPKZPH-SNVBAGLBSA-N -1 3 370.232 4.365 20 0 FIADHM Cc1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000031376367 1088485883 /nfs/dbraw/zinc/48/58/83/1088485883.db2.gz HRFYSNHDOSELEG-NXEZZACHSA-N -1 3 369.305 4.340 20 0 FIADHM [O-]C(=Cc1nc(-c2ccccc2-c2cnco2)no1)c1ccccc1Cl ZINC001211646949 1088748354 /nfs/dbraw/zinc/74/83/54/1088748354.db2.gz DZMPUEKTCHAVQF-UHFFFAOYSA-N -1 3 365.776 4.470 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N(Cc1cccnc1)C1CC1 ZINC000179376079 1088751034 /nfs/dbraw/zinc/75/10/34/1088751034.db2.gz RSYLXWVLSVWKPM-UHFFFAOYSA-N -1 3 360.413 4.384 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000179491127 1088755577 /nfs/dbraw/zinc/75/55/77/1088755577.db2.gz BKJHKKNEFBRSJG-GOSISDBHSA-N -1 3 363.417 4.275 20 0 FIADHM CCN(Cc1csc(Nc2ccccc2)n1)C1CCC(C(=O)[O-])CC1 ZINC000659792030 1088863962 /nfs/dbraw/zinc/86/39/62/1088863962.db2.gz XPHAJZORMPBPBI-UHFFFAOYSA-N -1 3 359.495 4.352 20 0 FIADHM C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000659800274 1088884047 /nfs/dbraw/zinc/88/40/47/1088884047.db2.gz WZSFCBVEUNWGGO-NQCMUKECSA-N -1 3 363.408 4.069 20 0 FIADHM Cc1nc(C)c(CCC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c(=O)[n-]1 ZINC000377197126 1089056206 /nfs/dbraw/zinc/05/62/06/1089056206.db2.gz KSCRXUSMXSEJLN-SFHVURJKSA-N -1 3 373.884 4.139 20 0 FIADHM Cc1sc(CCNC(=O)c2cc([O-])ccc2Cl)nc1-c1ccccc1 ZINC000431844625 1089503911 /nfs/dbraw/zinc/50/39/11/1089503911.db2.gz FARCPNOTCYWRDE-UHFFFAOYSA-N -1 3 372.877 4.450 20 0 FIADHM O=C(N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000514952119 1089663666 /nfs/dbraw/zinc/66/36/66/1089663666.db2.gz ORWHFVUNIGZQGL-HOCLYGCPSA-N -1 3 371.868 4.169 20 0 FIADHM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc([O-])ccc1Cl ZINC000378135289 1090142922 /nfs/dbraw/zinc/14/29/22/1090142922.db2.gz KQNMKDHBDKUPKO-QGZVFWFLSA-N -1 3 359.857 4.165 20 0 FIADHM COc1cccc(SC)c1[N-]C(=O)c1sc(C(C)(C)OC)nc1C ZINC000416123839 1090210581 /nfs/dbraw/zinc/21/05/81/1090210581.db2.gz RSEBNCCJCFVREO-UHFFFAOYSA-N -1 3 366.508 4.316 20 0 FIADHM O=C([O-])[C@@H]1Cc2ccccc2CN1CCc1cc(Cl)ccc1Cl ZINC000584786095 1090886115 /nfs/dbraw/zinc/88/61/15/1090886115.db2.gz ZZGHPYQEPPAEHT-KRWDZBQOSA-N -1 3 350.245 4.047 20 0 FIADHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1F ZINC000584795051 1090897007 /nfs/dbraw/zinc/89/70/07/1090897007.db2.gz GFMVAAYUNOUVQP-HNNXBMFYSA-N -1 3 371.330 4.159 20 0 FIADHM Cc1cc(F)c(CNC[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c(Cl)c1 ZINC000417545825 1090919287 /nfs/dbraw/zinc/91/92/87/1090919287.db2.gz KQVLPHHONGAASG-CYBMUJFWSA-N -1 3 370.251 4.474 20 0 FIADHM Cc1cc(Br)c(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417556960 1090924643 /nfs/dbraw/zinc/92/46/43/1090924643.db2.gz AITCXSCCVNWCNT-ABAIWWIYSA-N -1 3 368.296 4.371 20 0 FIADHM CCO[C@H]1C[C@@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1(CC)CC ZINC000584844618 1090940123 /nfs/dbraw/zinc/94/01/23/1090940123.db2.gz GPSPBNPCUZXOQY-CVEARBPZSA-N -1 3 353.890 4.454 20 0 FIADHM C[C@@H](CCC(=O)[O-])NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000417612068 1090942534 /nfs/dbraw/zinc/94/25/34/1090942534.db2.gz PAPGURKKLGMSAK-JTQLQIEISA-N -1 3 358.385 4.172 20 0 FIADHM C[C@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@H](C)C(=O)[O-] ZINC000417611143 1090942544 /nfs/dbraw/zinc/94/25/44/1090942544.db2.gz NOYJYCKVUCXVRA-IUCAKERBSA-N -1 3 359.278 4.316 20 0 FIADHM O=C([O-])[C@H]1C=C[C@H](NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1 ZINC000417629380 1090944750 /nfs/dbraw/zinc/94/47/50/1090944750.db2.gz XBYIFFTXNCLTKI-JSGCOSHPSA-N -1 3 351.324 4.084 20 0 FIADHM COc1ccc(-c2ccccc2)cc1CNC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000417626391 1090948242 /nfs/dbraw/zinc/94/82/42/1090948242.db2.gz MZEGBFLLUXPWEZ-MRXNPFEDSA-N -1 3 367.367 4.105 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)c3cccc(C)c3)c2)n1 ZINC000150726357 1091030545 /nfs/dbraw/zinc/03/05/45/1091030545.db2.gz VTZASAYMWAFAAL-HNNXBMFYSA-N -1 3 361.445 4.050 20 0 FIADHM COc1cccc([O-])c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000040817809 1091330622 /nfs/dbraw/zinc/33/06/22/1091330622.db2.gz XWWFANOFZWASPD-ZDUSSCGKSA-N -1 3 368.458 4.030 20 0 FIADHM CCc1cc(=O)[n-]c(CN2CC=C(c3ccccc3C(F)(F)F)CC2)n1 ZINC001167765523 1091596781 /nfs/dbraw/zinc/59/67/81/1091596781.db2.gz FMRSADGFEBRLEY-UHFFFAOYSA-N -1 3 363.383 4.053 20 0 FIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1C[C@@H]1CCCOC1 ZINC000626227931 1091705456 /nfs/dbraw/zinc/70/54/56/1091705456.db2.gz QUHIKDFRFFAVCL-AWEZNQCLSA-N -1 3 362.857 4.143 20 0 FIADHM C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)c1c(Cl)cccc1Cl ZINC000606666060 1091794216 /nfs/dbraw/zinc/79/42/16/1091794216.db2.gz CPZYDRYLTRSHCL-JTQLQIEISA-N -1 3 371.239 4.441 20 0 FIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000279448825 1091899987 /nfs/dbraw/zinc/89/99/87/1091899987.db2.gz MJMRTBYFRDZBJN-UHFFFAOYSA-N -1 3 358.398 4.079 20 0 FIADHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000512208513 1091914212 /nfs/dbraw/zinc/91/42/12/1091914212.db2.gz DKJYTQZTBVWLNC-UHFFFAOYSA-N -1 3 364.319 4.311 20 0 FIADHM COC(=O)c1cnc(SCCOC(c2ccccc2)c2ccccc2)[n-]1 ZINC000432653287 1092033798 /nfs/dbraw/zinc/03/37/98/1092033798.db2.gz AGUUHEJGDZLSSA-UHFFFAOYSA-N -1 3 368.458 4.095 20 0 FIADHM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000108070946 1092082286 /nfs/dbraw/zinc/08/22/86/1092082286.db2.gz GIHLCRLEAXQONP-UHFFFAOYSA-N -1 3 372.824 4.019 20 0 FIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1 ZINC000432763333 1092297763 /nfs/dbraw/zinc/29/77/63/1092297763.db2.gz BIVFMDCYFNNFHL-UHFFFAOYSA-N -1 3 374.506 4.013 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1C(C)C ZINC000432781029 1092349278 /nfs/dbraw/zinc/34/92/78/1092349278.db2.gz PPBQUQQTKOCCEA-UHFFFAOYSA-N -1 3 367.442 4.076 20 0 FIADHM O=S(=O)([N-]Cc1ccc(Cl)o1)c1ccc(Cl)cc1C(F)(F)F ZINC000614065940 1092483513 /nfs/dbraw/zinc/48/35/13/1092483513.db2.gz FJTLJLGYKJXLQQ-UHFFFAOYSA-N -1 3 374.167 4.084 20 0 FIADHM CC1(C)[C@H](NC(=O)c2cc([O-])ccc2Cl)C[C@H]1OCc1ccccc1 ZINC000500758366 1092518111 /nfs/dbraw/zinc/51/81/11/1092518111.db2.gz KOHQZPHSNMWNMY-QZTJIDSGSA-N -1 3 359.853 4.159 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(F)cc2cccnc21 ZINC000534310140 1092852268 /nfs/dbraw/zinc/85/22/68/1092852268.db2.gz MPMJVUWWQJWDPN-UHFFFAOYSA-N -1 3 361.170 4.094 20 0 FIADHM O=C(c1cc(Nc2cc([O-])c(F)cc2F)ccc1F)N1CCCCC1 ZINC001211876787 1093018123 /nfs/dbraw/zinc/01/81/23/1093018123.db2.gz JWNHRHQLDOFVNV-UHFFFAOYSA-N -1 3 350.340 4.179 20 0 FIADHM Cc1c([O-])ccc2c(CN[C@H](c3ccco3)c3ccccc3)cc(=O)oc12 ZINC000067133053 1093074326 /nfs/dbraw/zinc/07/43/26/1093074326.db2.gz GKQNKRZYFAHMFX-NRFANRHFSA-N -1 3 361.397 4.279 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3ccccc3)nc(=O)c2c1C ZINC000010646794 1093193651 /nfs/dbraw/zinc/19/36/51/1093193651.db2.gz HMGZHYKSRSYLBE-NSHDSACASA-N -1 3 374.487 4.323 20 0 FIADHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000433114800 1093259345 /nfs/dbraw/zinc/25/93/45/1093259345.db2.gz HZOBSYUQSGFLRO-UHFFFAOYSA-N -1 3 356.831 4.198 20 0 FIADHM C[C@@]1(C(=O)Nc2ccc(Br)cc2[O-])CCCc2ccccc21 ZINC000522273770 1093262308 /nfs/dbraw/zinc/26/23/08/1093262308.db2.gz GSADKWULELMFTD-GOSISDBHSA-N -1 3 360.251 4.387 20 0 FIADHM COc1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c([O-])c1 ZINC000094125186 1093311432 /nfs/dbraw/zinc/31/14/32/1093311432.db2.gz YORJTIPJKZJOEC-LJQANCHMSA-N -1 3 350.418 4.250 20 0 FIADHM COc1cc(Cl)c(C)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000433133620 1093314563 /nfs/dbraw/zinc/31/45/63/1093314563.db2.gz ZIFUUMVLIDRPOC-UHFFFAOYSA-N -1 3 374.799 4.198 20 0 FIADHM CCc1cc(Br)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000113739281 1093487586 /nfs/dbraw/zinc/48/75/86/1093487586.db2.gz MGRKTSIEBVUPMY-UHFFFAOYSA-N -1 3 371.234 4.105 20 0 FIADHM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc([O-])ccc1Cl ZINC000433347914 1093613130 /nfs/dbraw/zinc/61/31/30/1093613130.db2.gz QKZCKTLYABVHOF-UHFFFAOYSA-N -1 3 363.694 4.378 20 0 FIADHM CCOc1cc(CNc2cccc([C@H]3CCCC(=O)N3)c2)cc(Cl)c1[O-] ZINC000895895105 1093759713 /nfs/dbraw/zinc/75/97/13/1093759713.db2.gz SMLLVKIJGROKIT-QGZVFWFLSA-N -1 3 374.868 4.398 20 0 FIADHM COc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2)c(C(F)(F)F)c1 ZINC000726510844 1093947365 /nfs/dbraw/zinc/94/73/65/1093947365.db2.gz JMIKBEGDZLPBOA-UHFFFAOYSA-N -1 3 359.294 4.122 20 0 FIADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(Br)o2)c([O-])c1 ZINC000052820118 1093958522 /nfs/dbraw/zinc/95/85/22/1093958522.db2.gz RIJAQMNMLKDIBO-UHFFFAOYSA-N -1 3 352.228 4.143 20 0 FIADHM CCO[C@H](C)c1nc(CSCc2cc(=O)[n-]c(C3CC3)n2)cs1 ZINC000419432621 1094420607 /nfs/dbraw/zinc/42/06/07/1094420607.db2.gz YIBHMOZAPCCWNP-SNVBAGLBSA-N -1 3 351.497 4.047 20 0 FIADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1nc(Cc2ccccc2)no1 ZINC000419582575 1094512788 /nfs/dbraw/zinc/51/27/88/1094512788.db2.gz FXMBABCPVLEFON-LBPRGKRZSA-N -1 3 368.462 4.028 20 0 FIADHM CSc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1F ZINC000501750645 1094907995 /nfs/dbraw/zinc/90/79/95/1094907995.db2.gz QKKRDUOLZQKWQO-UHFFFAOYSA-N -1 3 356.216 4.268 20 0 FIADHM O=c1[n-]c(CN2CCC(OC3CCCC3)CC2)nc2c3ccccc3oc21 ZINC000329497761 1094937499 /nfs/dbraw/zinc/93/74/99/1094937499.db2.gz JLKUBBAJKBXJDT-UHFFFAOYSA-N -1 3 367.449 4.005 20 0 FIADHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752634 1095311200 /nfs/dbraw/zinc/31/12/00/1095311200.db2.gz HHJLIFBGBOUBRM-QWRGUYRKSA-N -1 3 369.248 4.053 20 0 FIADHM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000028752628 1095311845 /nfs/dbraw/zinc/31/18/45/1095311845.db2.gz HHJLIFBGBOUBRM-GHMZBOCLSA-N -1 3 369.248 4.053 20 0 FIADHM CCCc1nnc([N-]C(=O)c2csc(-c3ccc(F)c(F)c3)n2)s1 ZINC000502529067 1095544241 /nfs/dbraw/zinc/54/42/41/1095544241.db2.gz JUJPIBFNOMPEIZ-UHFFFAOYSA-N -1 3 366.418 4.145 20 0 FIADHM CCCCc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)[n-]1 ZINC001269123494 1095567230 /nfs/dbraw/zinc/56/72/30/1095567230.db2.gz ACLYIZXGVJINNE-UHFFFAOYSA-N -1 3 371.481 4.479 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N[C@@H](CC(F)F)c1ccccc1 ZINC000422027841 1096039162 /nfs/dbraw/zinc/03/91/62/1096039162.db2.gz RGEISSPGFDZMNT-INIZCTEOSA-N -1 3 351.368 4.367 20 0 FIADHM O=C(Cc1ccc2ccccc2c1)N[N-]C(=O)c1cc(Cl)ccc1Cl ZINC000006982915 1096151639 /nfs/dbraw/zinc/15/16/39/1096151639.db2.gz NXDVPKYSPQMGIY-UHFFFAOYSA-N -1 3 373.239 4.150 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)C[C@H]1C(F)(F)F ZINC000261856586 1096160867 /nfs/dbraw/zinc/16/08/67/1096160867.db2.gz AAPWNNHVWDUVCK-IAGOWNOFSA-N -1 3 365.351 4.174 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C4CCCCC4)C3)nc2)n1 ZINC000664327963 1096495053 /nfs/dbraw/zinc/49/50/53/1096495053.db2.gz OEYYGJYKTOOHCX-KRWDZBQOSA-N -1 3 352.482 4.213 20 0 FIADHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)c1 ZINC000515699090 1098861751 /nfs/dbraw/zinc/86/17/51/1098861751.db2.gz FFSHTNZXLWZFOD-UHFFFAOYSA-N -1 3 369.870 4.247 20 0 FIADHM O=S(=O)([N-]Cc1cc2ccccc2o1)c1cc(Cl)ccc1Cl ZINC000515761896 1098919244 /nfs/dbraw/zinc/91/92/44/1098919244.db2.gz DWGUKCZDXCTLHM-UHFFFAOYSA-N -1 3 356.230 4.218 20 0 FIADHM Cc1ccc(C(=O)N2CCC(c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000436490163 1099054768 /nfs/dbraw/zinc/05/47/68/1099054768.db2.gz SACVEWVYNVPWML-UHFFFAOYSA-N -1 3 374.278 4.483 20 0 FIADHM COc1cc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])cc(OC)c1OC ZINC000436519718 1099075656 /nfs/dbraw/zinc/07/56/56/1099075656.db2.gz AHSGBFGHVLNIQY-ZDUSSCGKSA-N -1 3 373.449 4.032 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)c([O-])c1 ZINC000436532199 1099088635 /nfs/dbraw/zinc/08/86/35/1099088635.db2.gz GOCZCZGZTPHTQG-UHFFFAOYSA-N -1 3 351.431 4.203 20 0 FIADHM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436548545 1099094596 /nfs/dbraw/zinc/09/45/96/1099094596.db2.gz NATSRXALROLKJP-UHFFFAOYSA-N -1 3 371.477 4.140 20 0 FIADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c([O-])c1 ZINC000436553515 1099100004 /nfs/dbraw/zinc/10/00/04/1099100004.db2.gz HJBTWNQKEWTOLV-GHTZIAJQSA-N -1 3 353.462 4.413 20 0 FIADHM CCCN(CCc1ccccn1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436541598 1099106929 /nfs/dbraw/zinc/10/69/29/1099106929.db2.gz WUPGOXOCBHDADD-UHFFFAOYSA-N -1 3 374.484 4.473 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c([O-])c1 ZINC000436577457 1099113648 /nfs/dbraw/zinc/11/36/48/1099113648.db2.gz SBJWRPQEYYVVJC-HNNXBMFYSA-N -1 3 357.475 4.455 20 0 FIADHM CN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1ccc(F)cc1 ZINC000436567116 1099118398 /nfs/dbraw/zinc/11/83/98/1099118398.db2.gz WXQGLTQYVGUZNZ-UHFFFAOYSA-N -1 3 351.377 4.387 20 0 FIADHM Cc1ccc(C(=O)N(C)CC2(c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000436567067 1099118927 /nfs/dbraw/zinc/11/89/27/1099118927.db2.gz WQBOTEOVOOXKFB-UHFFFAOYSA-N -1 3 374.278 4.267 20 0 FIADHM Cc1noc(C)c1Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436595188 1099126569 /nfs/dbraw/zinc/12/65/69/1099126569.db2.gz HYYLTLNKDOFORN-UHFFFAOYSA-N -1 3 361.401 4.229 20 0 FIADHM O=C(N[C@H]1CCOC2(CCC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436595514 1099126815 /nfs/dbraw/zinc/12/68/15/1099126815.db2.gz MSRYUKKLUPSVEN-HNNXBMFYSA-N -1 3 353.418 4.016 20 0 FIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(Cc2cncs2)no1 ZINC000436596675 1099127244 /nfs/dbraw/zinc/12/72/44/1099127244.db2.gz QUPLCDKHADULBM-UHFFFAOYSA-N -1 3 365.414 4.069 20 0 FIADHM CN(Cc1ccc(Br)cc1Cl)C(=O)c1ccccc1[O-] ZINC000436579031 1099128444 /nfs/dbraw/zinc/12/84/44/1099128444.db2.gz BFXYPJUDZSMURQ-UHFFFAOYSA-N -1 3 354.631 4.080 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c([O-])c1 ZINC000436604101 1099140801 /nfs/dbraw/zinc/14/08/01/1099140801.db2.gz IWCANTNNGXWOKC-KRWDZBQOSA-N -1 3 363.461 4.170 20 0 FIADHM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436608571 1099141964 /nfs/dbraw/zinc/14/19/64/1099141964.db2.gz UVNOMGIWVHXWBQ-UHFFFAOYSA-N -1 3 364.401 4.321 20 0 FIADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000436627454 1099156099 /nfs/dbraw/zinc/15/60/99/1099156099.db2.gz WERUZSITIPFEKI-HNNXBMFYSA-N -1 3 352.217 4.382 20 0 FIADHM Cc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2[O-])N2CCCC2)o1 ZINC000436629502 1099158589 /nfs/dbraw/zinc/15/85/89/1099158589.db2.gz VKSAAYQTMSDMIH-IBGZPJMESA-N -1 3 364.445 4.014 20 0 FIADHM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1c([O-])cccc1O ZINC000436647031 1099189108 /nfs/dbraw/zinc/18/91/08/1099189108.db2.gz JROJRRXXFPVYHW-UHFFFAOYSA-N -1 3 372.396 4.008 20 0 FIADHM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436673672 1099203796 /nfs/dbraw/zinc/20/37/96/1099203796.db2.gz FUFMJQFAQBDQBZ-UHFFFAOYSA-N -1 3 366.461 4.267 20 0 FIADHM COc1cc(-c2nc3cccc(Cl)c3n2C)cc(Br)c1[O-] ZINC000436659266 1099207330 /nfs/dbraw/zinc/20/73/30/1099207330.db2.gz YTFQRQHONLRJLN-UHFFFAOYSA-N -1 3 367.630 4.370 20 0 FIADHM C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618431 1099215830 /nfs/dbraw/zinc/21/58/30/1099215830.db2.gz JWRNXROBNCEYJI-SECBINFHSA-N -1 3 370.630 4.214 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(F)cc3C(F)(F)F)no2)c1 ZINC000436681294 1099216223 /nfs/dbraw/zinc/21/62/23/1099216223.db2.gz MRMSZMDWTAJREF-UHFFFAOYSA-N -1 3 354.259 4.276 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c([O-])c1 ZINC000436688012 1099220836 /nfs/dbraw/zinc/22/08/36/1099220836.db2.gz KAIQVUFYJASKKR-LJQANCHMSA-N -1 3 359.853 4.383 20 0 FIADHM COC(=O)CCSCc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436687706 1099220975 /nfs/dbraw/zinc/22/09/75/1099220975.db2.gz JSDCFQYALMMFDR-UHFFFAOYSA-N -1 3 373.474 4.058 20 0 FIADHM O=C(Nc1ccccc1-c1nc[nH]n1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436698201 1099233585 /nfs/dbraw/zinc/23/35/85/1099233585.db2.gz PARRBBGYDODIFO-UHFFFAOYSA-N -1 3 372.384 4.222 20 0 FIADHM CC(C)c1ccc(C(=O)NCCc2nc3ccccc3n2C(F)F)c([O-])c1 ZINC000436712593 1099245702 /nfs/dbraw/zinc/24/57/02/1099245702.db2.gz OLZOKKBYGFCERK-UHFFFAOYSA-N -1 3 373.403 4.233 20 0 FIADHM Cc1nc(-c2ccc([C@H](C)NC(=O)c3ccc(O)cc3[O-])cc2)cs1 ZINC000436736854 1099257021 /nfs/dbraw/zinc/25/70/21/1099257021.db2.gz HQGRJFWMXGJWRS-NSHDSACASA-N -1 3 354.431 4.021 20 0 FIADHM COc1ccc(C(=O)N[C@H](C)c2ccc(Oc3cccnc3)cc2)c([O-])c1 ZINC000436751045 1099285164 /nfs/dbraw/zinc/28/51/64/1099285164.db2.gz ZLRVQQDGLQWNGC-CQSZACIVSA-N -1 3 364.401 4.079 20 0 FIADHM Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(O)cc2[O-])s1 ZINC000436764704 1099304922 /nfs/dbraw/zinc/30/49/22/1099304922.db2.gz SUIKBDHZALSKMG-UHFFFAOYSA-N -1 3 367.470 4.353 20 0 FIADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436783035 1099314322 /nfs/dbraw/zinc/31/43/22/1099314322.db2.gz PJGCGIKUIKSQDR-UHFFFAOYSA-N -1 3 372.440 4.322 20 0 FIADHM CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(Cl)s1 ZINC000436785103 1099315683 /nfs/dbraw/zinc/31/56/83/1099315683.db2.gz ZVJJKVBWRGSHPJ-SNVBAGLBSA-N -1 3 355.843 4.005 20 0 FIADHM CC1(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H]1[C@H]1CCCO1 ZINC000436787136 1099318149 /nfs/dbraw/zinc/31/81/49/1099318149.db2.gz MNPNBMJJCXNFGE-WOJBJXKFSA-N -1 3 367.445 4.214 20 0 FIADHM CCCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(OC)cc1 ZINC000436787499 1099319101 /nfs/dbraw/zinc/31/91/01/1099319101.db2.gz PKDBUYWNFSYOKM-LJQANCHMSA-N -1 3 370.449 4.021 20 0 FIADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436788313 1099320817 /nfs/dbraw/zinc/32/08/17/1099320817.db2.gz XAJCESCDZHIESO-UYAOXDASSA-N -1 3 366.461 4.149 20 0 FIADHM CC(C)c1ccc(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)c([O-])c1 ZINC000436795234 1099326963 /nfs/dbraw/zinc/32/69/63/1099326963.db2.gz YOIYBSOIMLTDNR-MRXNPFEDSA-N -1 3 368.477 4.161 20 0 FIADHM CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000436796635 1099327603 /nfs/dbraw/zinc/32/76/03/1099327603.db2.gz WWMNSKYTFKRLQT-LJQANCHMSA-N -1 3 367.489 4.403 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c1 ZINC000436812858 1099337916 /nfs/dbraw/zinc/33/79/16/1099337916.db2.gz NYPBLALDZUOKPQ-UHFFFAOYSA-N -1 3 366.461 4.133 20 0 FIADHM CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(F)ccc1[O-] ZINC000436813565 1099338924 /nfs/dbraw/zinc/33/89/24/1099338924.db2.gz PIXCKBVGVVXISF-UHFFFAOYSA-N -1 3 369.396 4.004 20 0 FIADHM CCc1ccc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c([O-])c1 ZINC000436837616 1099348090 /nfs/dbraw/zinc/34/80/90/1099348090.db2.gz HTCLRBJCAFYEHK-BFUOFWGJSA-N -1 3 359.853 4.210 20 0 FIADHM CCc1ccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c([O-])c1 ZINC000436841371 1099359695 /nfs/dbraw/zinc/35/96/95/1099359695.db2.gz ZEWWZRKANJGQCQ-OAHLLOKOSA-N -1 3 370.518 4.310 20 0 FIADHM C[C@@H](c1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436846024 1099364057 /nfs/dbraw/zinc/36/40/57/1099364057.db2.gz VJQHNOMIPQKUJM-KRWDZBQOSA-N -1 3 360.457 4.064 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1[O-] ZINC000436850280 1099367319 /nfs/dbraw/zinc/36/73/19/1099367319.db2.gz GIPCMXHOEHELLJ-SNVBAGLBSA-N -1 3 351.324 4.105 20 0 FIADHM CCc1ccc(-c2nc(-c3ccc4c(c3)[C@H](SC)C(=O)N4)no2)c([O-])c1 ZINC000436859554 1099370636 /nfs/dbraw/zinc/37/06/36/1099370636.db2.gz YNDFSZMHSSRWNV-INIZCTEOSA-N -1 3 367.430 4.028 20 0 FIADHM O=C(NCCc1ccccc1)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212008869 1099375737 /nfs/dbraw/zinc/37/57/37/1099375737.db2.gz GKCNQYKIZIPITG-UHFFFAOYSA-N -1 3 368.383 4.387 20 0 FIADHM COC(=O)c1cc(Nc2ccc([O-])c(F)c2F)c(C)cc1Br ZINC001212013993 1099379211 /nfs/dbraw/zinc/37/92/11/1099379211.db2.gz UOALOZFXUUZQKH-UHFFFAOYSA-N -1 3 372.165 4.272 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2cccnc2N2CCCC2)no1 ZINC000436913121 1099419860 /nfs/dbraw/zinc/41/98/60/1099419860.db2.gz YZTFABDGQSKWDW-UHFFFAOYSA-N -1 3 358.401 4.258 20 0 FIADHM Cc1ccc(Cc2noc(-c3cc(Cc4ccccc4)ccc3[O-])n2)cn1 ZINC000436913643 1099429867 /nfs/dbraw/zinc/42/98/67/1099429867.db2.gz WAYSYYWEFIOPTF-UHFFFAOYSA-N -1 3 357.413 4.327 20 0 FIADHM O=c1nc(-c2cc([O-])cc(Cl)c2)[nH]c2sc3c(c21)CCCS3 ZINC000436931570 1099434845 /nfs/dbraw/zinc/43/48/45/1099434845.db2.gz LGLJDDOXFFXKDG-UHFFFAOYSA-N -1 3 350.852 4.461 20 0 FIADHM COc1ccc([O-])c(-c2nc(-c3ccc(Oc4cccnc4)cc3)no2)c1 ZINC000436920853 1099436471 /nfs/dbraw/zinc/43/64/71/1099436471.db2.gz UBRKCQDMOMYHOQ-UHFFFAOYSA-N -1 3 361.357 4.305 20 0 FIADHM Cc1ccc(-c2nc(-c3ccc(OCc4ccccc4)nc3)no2)c([O-])c1 ZINC000436936517 1099449614 /nfs/dbraw/zinc/44/96/14/1099449614.db2.gz YZAKFKXDRKBRDL-UHFFFAOYSA-N -1 3 359.385 4.392 20 0 FIADHM O=C(Nc1cccc2[nH]c(=O)oc21)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436937508 1099450896 /nfs/dbraw/zinc/45/08/96/1099450896.db2.gz ZBAIJTXUXATCDT-UHFFFAOYSA-N -1 3 362.341 4.284 20 0 FIADHM CCCc1c(NC(=O)c2cccc(OC)c2[O-])cnn1-c1ccc(C)cc1 ZINC000436953237 1099470126 /nfs/dbraw/zinc/47/01/26/1099470126.db2.gz NINNFVHDIMGZEM-UHFFFAOYSA-N -1 3 365.433 4.100 20 0 FIADHM Cc1ccc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)c([O-])c1 ZINC000436960078 1099475768 /nfs/dbraw/zinc/47/57/68/1099475768.db2.gz PHVPAMMAMUYLBD-UHFFFAOYSA-N -1 3 372.262 4.393 20 0 FIADHM CCCCOc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000436981679 1099488700 /nfs/dbraw/zinc/48/87/00/1099488700.db2.gz CZCPLIFVMCYIRF-LAUBAEHRSA-N -1 3 369.461 4.221 20 0 FIADHM CCc1nc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)co1 ZINC000436994661 1099500393 /nfs/dbraw/zinc/50/03/93/1099500393.db2.gz DXDUVSJTFLJZNS-UHFFFAOYSA-N -1 3 365.414 4.472 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3ccc(C(=O)NC4CC4)cc3)no2)c([O-])c1 ZINC000436995861 1099500718 /nfs/dbraw/zinc/50/07/18/1099500718.db2.gz JGLJSXKCYWEOSD-UHFFFAOYSA-N -1 3 363.417 4.125 20 0 FIADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1c(F)cc(Br)cc1F ZINC000288559861 1099573697 /nfs/dbraw/zinc/57/36/97/1099573697.db2.gz MHUZOTJBEATEJN-UHFFFAOYSA-N -1 3 359.170 4.399 20 0 FIADHM CC(C)c1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c([O-])c1 ZINC000116621012 1099607950 /nfs/dbraw/zinc/60/79/50/1099607950.db2.gz XBOZYNJTEWJTFJ-UHFFFAOYSA-N -1 3 368.408 4.282 20 0 FIADHM O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1cc(F)cc2n[n-]nc21 ZINC000505973815 1099623748 /nfs/dbraw/zinc/62/37/48/1099623748.db2.gz OLYGPZOWIRABRN-UHFFFAOYSA-N -1 3 374.803 4.324 20 0 FIADHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000516701161 1099733174 /nfs/dbraw/zinc/73/31/74/1099733174.db2.gz IUSXIWRRJXFYAL-JTQLQIEISA-N -1 3 369.364 4.198 20 0 FIADHM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1 ZINC000517094605 1100056523 /nfs/dbraw/zinc/05/65/23/1100056523.db2.gz VZWRALSZZGQBEA-UHFFFAOYSA-N -1 3 363.479 4.201 20 0 FIADHM [O-]c1cccc(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)c1Br ZINC000459398115 1100105958 /nfs/dbraw/zinc/10/59/58/1100105958.db2.gz SUORFRUKWBHJLS-WMZOPIPTSA-N -1 3 362.267 4.165 20 0 FIADHM Cc1csc(C2(NCc3cc(=O)[n-]c(-c4ccccc4)n3)CCCC2)n1 ZINC000459397538 1100123904 /nfs/dbraw/zinc/12/39/04/1100123904.db2.gz XKUWIRCALADDQN-UHFFFAOYSA-N -1 3 366.490 4.173 20 0 FIADHM C[C@H](NCc1cc(=O)[n-]c(-c2ccccc2)n1)c1nc(C(C)(C)C)cs1 ZINC000459409646 1100130850 /nfs/dbraw/zinc/13/08/50/1100130850.db2.gz RJQYDSOOURTMKM-ZDUSSCGKSA-N -1 3 368.506 4.454 20 0 FIADHM [O-]c1cccc(CNCc2ccccc2OCC2CC2)c1Br ZINC000459449107 1100187070 /nfs/dbraw/zinc/18/70/70/1100187070.db2.gz TVLOXWAIAWHKQC-UHFFFAOYSA-N -1 3 362.267 4.233 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCCOc3c(F)cccc32)c1Br ZINC000459471746 1100224012 /nfs/dbraw/zinc/22/40/12/1100224012.db2.gz XDNZKKYYQYTSTE-AWEZNQCLSA-N -1 3 366.230 4.297 20 0 FIADHM Cc1ccc(C2CCN(Cc3cccc([O-])c3Br)CC2)cn1 ZINC000459473071 1100228163 /nfs/dbraw/zinc/22/81/63/1100228163.db2.gz DACWYCVKXYOSRE-UHFFFAOYSA-N -1 3 361.283 4.238 20 0 FIADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1-c1ncco1 ZINC000469367079 1100240478 /nfs/dbraw/zinc/24/04/78/1100240478.db2.gz ITOWLOWCPYMJHW-UHFFFAOYSA-N -1 3 354.381 4.456 20 0 FIADHM [O-]c1cccc(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1Br ZINC000459571435 1100320331 /nfs/dbraw/zinc/32/03/31/1100320331.db2.gz OKMALCHZQBIZKQ-NSHDSACASA-N -1 3 372.184 4.349 20 0 FIADHM CCOc1cc(CN[C@H]2COc3cccc(Cl)c32)cc(Cl)c1[O-] ZINC000459573357 1100321515 /nfs/dbraw/zinc/32/15/15/1100321515.db2.gz VKPCANFVQKWGHI-ZDUSSCGKSA-N -1 3 354.233 4.321 20 0 FIADHM O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)Nc1ncccc1[O-] ZINC000517371550 1100336016 /nfs/dbraw/zinc/33/60/16/1100336016.db2.gz ZURNTPONAZRBCI-UHFFFAOYSA-N -1 3 368.820 4.201 20 0 FIADHM CCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000517971156 1100841959 /nfs/dbraw/zinc/84/19/59/1100841959.db2.gz QCBZYJJFIMPKBR-INIZCTEOSA-N -1 3 374.506 4.479 20 0 FIADHM COc1ccc(Cl)cc1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000473594422 1100938875 /nfs/dbraw/zinc/93/88/75/1100938875.db2.gz ZKTRNTBGZTXUMK-UHFFFAOYSA-N -1 3 359.731 4.254 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)C1CCCC1 ZINC001211846340 1101010353 /nfs/dbraw/zinc/01/03/53/1101010353.db2.gz SOZDKOSRRIPJSO-HNNXBMFYSA-N -1 3 350.509 4.057 20 0 FIADHM CCSc1nccnc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000438933556 1101029533 /nfs/dbraw/zinc/02/95/33/1101029533.db2.gz PAKZWZFWLBPREB-UHFFFAOYSA-N -1 3 350.403 4.164 20 0 FIADHM CC(C)c1nc(C(=O)Nc2cc(Cl)ccc2[O-])nn1-c1ccccc1F ZINC000439095366 1101148883 /nfs/dbraw/zinc/14/88/83/1101148883.db2.gz IOTGOJBEOBWMPL-UHFFFAOYSA-N -1 3 374.803 4.141 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(OCc2ccccn2)cc1 ZINC000439098972 1101161092 /nfs/dbraw/zinc/16/10/92/1101161092.db2.gz RYQVMYYNWXCKGS-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000473599989 1101170835 /nfs/dbraw/zinc/17/08/35/1101170835.db2.gz OWDJSZPCMDWOLJ-KGLIPLIRSA-N -1 3 351.324 4.162 20 0 FIADHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000473599990 1101170908 /nfs/dbraw/zinc/17/09/08/1101170908.db2.gz OWDJSZPCMDWOLJ-UONOGXRCSA-N -1 3 351.324 4.162 20 0 FIADHM Cc1cccc2c(CCC(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)c[nH]c21 ZINC000439146023 1101201604 /nfs/dbraw/zinc/20/16/04/1101201604.db2.gz KVAKXDNJERSPSN-UHFFFAOYSA-N -1 3 358.445 4.168 20 0 FIADHM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000536901903 1101325617 /nfs/dbraw/zinc/32/56/17/1101325617.db2.gz YIVNSQYIWSZHJT-UHFFFAOYSA-N -1 3 363.479 4.200 20 0 FIADHM CCCCc1ccc(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648433536 1101334216 /nfs/dbraw/zinc/33/42/16/1101334216.db2.gz CVACXOUAEOKSES-UHFFFAOYSA-N -1 3 359.779 4.116 20 0 FIADHM Cc1ccc(Cc2nnc([N-]C(=O)c3csc(CC(C)C)n3)s2)cc1 ZINC000518647031 1101389711 /nfs/dbraw/zinc/38/97/11/1101389711.db2.gz DZPBRMJJOLKNRM-UHFFFAOYSA-N -1 3 372.519 4.345 20 0 FIADHM CC(C)c1ncsc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000455843132 1101427043 /nfs/dbraw/zinc/42/70/43/1101427043.db2.gz IRUCTPBBVRMZGE-UHFFFAOYSA-N -1 3 370.272 4.056 20 0 FIADHM CCc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1CC ZINC000537172646 1101516833 /nfs/dbraw/zinc/51/68/33/1101516833.db2.gz QDINTHHAUZNOKS-UHFFFAOYSA-N -1 3 352.409 4.353 20 0 FIADHM CCOc1cc(-c2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000445427049 1101643804 /nfs/dbraw/zinc/64/38/04/1101643804.db2.gz MRGIYQXHNNMZLB-SRVKXCTJSA-N -1 3 365.861 4.428 20 0 FIADHM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000476130066 1101952538 /nfs/dbraw/zinc/95/25/38/1101952538.db2.gz CGBSGVUPBKPERI-QMMMGPOBSA-N -1 3 360.357 4.217 20 0 FIADHM COc1ccc(C(C)(C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000476142326 1101972759 /nfs/dbraw/zinc/97/27/59/1101972759.db2.gz HBJVRGHLFXKCDX-UHFFFAOYSA-N -1 3 353.340 4.336 20 0 FIADHM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263316956 1102068282 /nfs/dbraw/zinc/06/82/82/1102068282.db2.gz IWFDONOHWKPQCM-QWHCGFSZSA-N -1 3 356.447 4.241 20 0 FIADHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000519282448 1102071716 /nfs/dbraw/zinc/07/17/16/1102071716.db2.gz QHAWFWIFPZEOJR-UHFFFAOYSA-N -1 3 374.849 4.200 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1[O-] ZINC000147236554 1102171156 /nfs/dbraw/zinc/17/11/56/1102171156.db2.gz OXLZPOPLDAAHFO-UHFFFAOYSA-N -1 3 361.397 4.426 20 0 FIADHM O=C([O-])C[C@@H](CNCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000426636264 1102213258 /nfs/dbraw/zinc/21/32/58/1102213258.db2.gz DVHUJWDGJXAJTF-AWEZNQCLSA-N -1 3 358.488 4.220 20 0 FIADHM O=C(NCc1ncccc1[O-])[C@H](Sc1ccccc1F)c1ccccc1 ZINC000473633683 1102336627 /nfs/dbraw/zinc/33/66/27/1102336627.db2.gz KWBLZZNUUGRCEP-LJQANCHMSA-N -1 3 368.433 4.076 20 0 FIADHM O=C(NCc1ncccc1[O-])c1cccc(F)c1Sc1ccccc1 ZINC000473635921 1102346580 /nfs/dbraw/zinc/34/65/80/1102346580.db2.gz DMGGLDMCCFRUBP-UHFFFAOYSA-N -1 3 354.406 4.008 20 0 FIADHM Cc1cc2c(nc(-c3nc4ccccc4cc3Br)[n-]c2=O)s1 ZINC000122066014 1102513906 /nfs/dbraw/zinc/51/39/06/1102513906.db2.gz OQBWFTRXGSPWGG-UHFFFAOYSA-N -1 3 372.247 4.271 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C)c(F)cc3Cl)cc2)n1 ZINC000120445119 1102594533 /nfs/dbraw/zinc/59/45/33/1102594533.db2.gz SVSKJZSIBFTGLU-UHFFFAOYSA-N -1 3 371.799 4.099 20 0 FIADHM COc1ccc(C(=O)CCCCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000190916128 1102611822 /nfs/dbraw/zinc/61/18/22/1102611822.db2.gz WWQUAUCJPBMCGH-UHFFFAOYSA-N -1 3 359.397 4.312 20 0 FIADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3n[n-]c(-c4ccco4)n3)c2c1 ZINC000473728583 1102619963 /nfs/dbraw/zinc/61/99/63/1102619963.db2.gz KAFUKXCHSLBDJG-UHFFFAOYSA-N -1 3 359.389 4.051 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000537644011 1102623201 /nfs/dbraw/zinc/62/32/01/1102623201.db2.gz DFBMIWLDAXZLFC-UHFFFAOYSA-N -1 3 350.374 4.186 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(F)c(Cl)cc1F ZINC000536532972 1102671345 /nfs/dbraw/zinc/67/13/45/1102671345.db2.gz MNYHLMLMIAOFEK-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)C[C@@H](C)[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000473776237 1102727972 /nfs/dbraw/zinc/72/79/72/1102727972.db2.gz MHZRUHRLXIEQPS-MCIONIFRSA-N -1 3 354.454 4.056 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)C[C@@H](C)[C@H]3C)cc2)cc(=O)[n-]1 ZINC000473776238 1102728342 /nfs/dbraw/zinc/72/83/42/1102728342.db2.gz MHZRUHRLXIEQPS-MGPQQGTHSA-N -1 3 354.454 4.056 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1 ZINC000101850666 1102738813 /nfs/dbraw/zinc/73/88/13/1102738813.db2.gz OKUMMBAOSPVDBV-UHFFFAOYSA-N -1 3 368.458 4.257 20 0 FIADHM Cc1cccc(C[C@@H](CNCc2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000426672107 1102855375 /nfs/dbraw/zinc/85/53/75/1102855375.db2.gz YSGOLGLPSSYFAQ-AWEZNQCLSA-N -1 3 352.261 4.335 20 0 FIADHM CCOc1cc(CNc2cc(C(=O)NC3CC3)ccc2C)cc(Cl)c1[O-] ZINC000459350290 1102892689 /nfs/dbraw/zinc/89/26/89/1102892689.db2.gz OOFPFRXVUYLZJQ-UHFFFAOYSA-N -1 3 374.868 4.257 20 0 FIADHM O=C(C/C=C/c1ccc(F)cc1)Nc1cc(Br)ccc1[O-] ZINC000551104007 1102926568 /nfs/dbraw/zinc/92/65/68/1102926568.db2.gz VPGXXMYUUQWVPH-OWOJBTEDSA-N -1 3 350.187 4.336 20 0 FIADHM O=C([O-])[C@H](CNCc1coc(-c2ccccc2)n1)Cc1ccc(Cl)cc1 ZINC000426705586 1102933041 /nfs/dbraw/zinc/93/30/41/1102933041.db2.gz PTIKSFWDFRKQEE-INIZCTEOSA-N -1 3 370.836 4.028 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(OC(F)F)c(Cl)c1)c1ccsc1 ZINC000426688189 1102933931 /nfs/dbraw/zinc/93/39/31/1102933931.db2.gz OJUNTAOICNJGQL-LBPRGKRZSA-N -1 3 361.797 4.309 20 0 FIADHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000476933864 1102949838 /nfs/dbraw/zinc/94/98/38/1102949838.db2.gz OOVYWAUWGAJELC-ZDUSSCGKSA-N -1 3 372.273 4.022 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(OCC(F)(F)F)c1)c1cccc(Cl)c1 ZINC000426738574 1102957178 /nfs/dbraw/zinc/95/71/78/1102957178.db2.gz XFURKVZRUOTBGQ-OAHLLOKOSA-N -1 3 373.758 4.197 20 0 FIADHM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1ccc(Cl)cc1F ZINC000426747526 1102964875 /nfs/dbraw/zinc/96/48/75/1102964875.db2.gz PYECFWIQJQIVSR-HNNXBMFYSA-N -1 3 360.187 4.057 20 0 FIADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000426752277 1102969188 /nfs/dbraw/zinc/96/91/88/1102969188.db2.gz BYJLGMGYWOUZMX-MEDUHNTESA-N -1 3 355.331 4.396 20 0 FIADHM Cc1cc(C)cc([C@H](NCc2cc(F)cc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000426758570 1102973584 /nfs/dbraw/zinc/97/35/84/1102973584.db2.gz SUQQGVWXTBIKNI-INIZCTEOSA-N -1 3 355.331 4.377 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(F)c1 ZINC000426762096 1102974416 /nfs/dbraw/zinc/97/44/16/1102974416.db2.gz HHVDBDGSNQUXHR-CQSZACIVSA-N -1 3 361.722 4.413 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(Cl)c(Br)c1)c1cccc(F)c1 ZINC000426761871 1102975406 /nfs/dbraw/zinc/97/54/06/1102975406.db2.gz FBYCQZKXWAWZOZ-AWEZNQCLSA-N -1 3 372.621 4.157 20 0 FIADHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(-c3ccccn3)c2)c1 ZINC000426761476 1102975934 /nfs/dbraw/zinc/97/59/34/1102975934.db2.gz AYTCRGCZGXSXCE-NRFANRHFSA-N -1 3 362.429 4.063 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000426769859 1102976892 /nfs/dbraw/zinc/97/68/92/1102976892.db2.gz MPEZZTYFBAOVNZ-NRFANRHFSA-N -1 3 365.404 4.320 20 0 FIADHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1SC ZINC000426807037 1102988254 /nfs/dbraw/zinc/98/82/54/1102988254.db2.gz LWKNMIYBMZBBJL-OAHLLOKOSA-N -1 3 365.882 4.376 20 0 FIADHM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000426805680 1102988549 /nfs/dbraw/zinc/98/85/49/1102988549.db2.gz DTKVYIOMCKIQRG-INIZCTEOSA-N -1 3 363.841 4.053 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccccc3)s2)c1 ZINC000426789012 1102991932 /nfs/dbraw/zinc/99/19/32/1102991932.db2.gz QVJNZPUULZOVIK-GOSISDBHSA-N -1 3 368.458 4.124 20 0 FIADHM CCOc1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000426797169 1102995692 /nfs/dbraw/zinc/99/56/92/1102995692.db2.gz FMHXNBGWGACNOF-MRXNPFEDSA-N -1 3 363.841 4.053 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(CC(C)C)cc2)cc1OC ZINC000426796819 1102996162 /nfs/dbraw/zinc/99/61/62/1102996162.db2.gz CKKFQIHOUPNTQN-LJQANCHMSA-N -1 3 371.477 4.208 20 0 FIADHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1Cl ZINC000426803615 1103001044 /nfs/dbraw/zinc/00/10/44/1103001044.db2.gz NXADDSRKAJHJTF-INIZCTEOSA-N -1 3 354.233 4.226 20 0 FIADHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1Cl ZINC000426803616 1103002572 /nfs/dbraw/zinc/00/25/72/1103002572.db2.gz NXADDSRKAJHJTF-MRXNPFEDSA-N -1 3 354.233 4.226 20 0 FIADHM COc1ccccc1-c1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426821876 1103017102 /nfs/dbraw/zinc/01/71/02/1103017102.db2.gz XORHUJGVXWQWCU-NRFANRHFSA-N -1 3 365.404 4.417 20 0 FIADHM CCc1ccc(NC(=O)Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000445317022 1103019088 /nfs/dbraw/zinc/01/90/88/1103019088.db2.gz LYVVASOUSXTQFL-UHFFFAOYSA-N -1 3 365.433 4.309 20 0 FIADHM O=C([O-])C[C@@H](NCc1ccc(F)c(F)c1)c1cccc(Br)c1 ZINC000426827073 1103024973 /nfs/dbraw/zinc/02/49/73/1103024973.db2.gz GYUJTRWXJFGDJF-OAHLLOKOSA-N -1 3 370.193 4.033 20 0 FIADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cncc(Cl)c2)cc1Cl ZINC000507022928 1103060209 /nfs/dbraw/zinc/06/02/09/1103060209.db2.gz VSOWNTNRHCFYOR-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM COc1ccc([C@@H](C)NCc2cccc([O-])c2Br)cc1F ZINC000315425616 1103253936 /nfs/dbraw/zinc/25/39/36/1103253936.db2.gz SUEMEWXLTMJAOU-SNVBAGLBSA-N -1 3 354.219 4.153 20 0 FIADHM O=C(Cc1cc(F)ccc1Br)Nc1ccc(Cl)cc1[O-] ZINC000532837309 1103261169 /nfs/dbraw/zinc/26/11/69/1103261169.db2.gz ILKSKTKRJCXIEB-UHFFFAOYSA-N -1 3 358.594 4.128 20 0 FIADHM O=C(NCCCCc1ccc(Cl)s1)NCc1ccc([O-])c(F)c1 ZINC000551648312 1103469863 /nfs/dbraw/zinc/46/98/63/1103469863.db2.gz UJQZTUZISUIWEU-UHFFFAOYSA-N -1 3 356.850 4.068 20 0 FIADHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507636455 1103571066 /nfs/dbraw/zinc/57/10/66/1103571066.db2.gz OKCVXXOSFWWZEP-UHFFFAOYSA-N -1 3 357.834 4.214 20 0 FIADHM CC(=O)Nc1ccc(-c2nc3sc(C)cc3c(=O)[n-]2)cc1C(F)(F)F ZINC000507705149 1103641223 /nfs/dbraw/zinc/64/12/23/1103641223.db2.gz GSDQHGLRAUNRIO-UHFFFAOYSA-N -1 3 367.352 4.350 20 0 FIADHM CCN(Cc1csc(CCc2ccccc2)n1)C1CCC(C(=O)[O-])CC1 ZINC000519616758 1103717882 /nfs/dbraw/zinc/71/78/82/1103717882.db2.gz OFWRMGQGQQBSBE-UHFFFAOYSA-N -1 3 372.534 4.394 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)SCC(C)(C)C)nc(=O)c2c1C ZINC000440598331 1103807031 /nfs/dbraw/zinc/80/70/31/1103807031.db2.gz WASJPCBFDPLYDK-SNVBAGLBSA-N -1 3 368.524 4.310 20 0 FIADHM CC(C)(NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccc(F)c1 ZINC000538210319 1104051879 /nfs/dbraw/zinc/05/18/79/1104051879.db2.gz GJOZHFQSCIVSAI-UHFFFAOYSA-N -1 3 351.381 4.246 20 0 FIADHM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440988937 1104062934 /nfs/dbraw/zinc/06/29/34/1104062934.db2.gz KTVCRQPDIMJPFR-VIFPVBQESA-N -1 3 359.731 4.470 20 0 FIADHM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1F ZINC000538298969 1104118353 /nfs/dbraw/zinc/11/83/53/1104118353.db2.gz RRADKPYAPDNVKF-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2F)cc1Cl ZINC000538298827 1104118634 /nfs/dbraw/zinc/11/86/34/1104118634.db2.gz QAAYPONWDKFUKH-UHFFFAOYSA-N -1 3 364.225 4.250 20 0 FIADHM O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1c(Cl)cccc1Cl ZINC000520388429 1104317767 /nfs/dbraw/zinc/31/77/67/1104317767.db2.gz UXLSFGJABXXSDB-GFCCVEGCSA-N -1 3 356.274 4.002 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(OCCC(C)C)CC2)c([O-])c1 ZINC000190141635 1104881530 /nfs/dbraw/zinc/88/15/30/1104881530.db2.gz JEHXHBDNUWQZKI-UHFFFAOYSA-N -1 3 363.498 4.238 20 0 FIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC([C@H]2CCCO2)CC1 ZINC000191091068 1104964067 /nfs/dbraw/zinc/96/40/67/1104964067.db2.gz JERZEQURTGPUOK-OAQYLSRUSA-N -1 3 367.445 4.216 20 0 FIADHM CC(C)c1nn(C)c2sc(C(=O)[N-]c3ncn(C4CCCCC4)n3)cc12 ZINC000182681858 1105000845 /nfs/dbraw/zinc/00/08/45/1105000845.db2.gz QFNBEZSYNPSJPM-UHFFFAOYSA-N -1 3 372.498 4.107 20 0 FIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccsc1)c1ccc(Br)cc1 ZINC000417642613 1105044140 /nfs/dbraw/zinc/04/41/40/1105044140.db2.gz WECBFQWIHAYUCO-QMTHXVAHSA-N -1 3 354.269 4.062 20 0 FIADHM O=C([O-])C[C@@H](CCNCc1csc(Cl)c1Cl)C(F)(F)F ZINC000417656490 1105051465 /nfs/dbraw/zinc/05/14/65/1105051465.db2.gz LEASRKRNFZDISX-SSDOTTSWSA-N -1 3 350.189 4.188 20 0 FIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000536460563 1105145492 /nfs/dbraw/zinc/14/54/92/1105145492.db2.gz USQXUJANUGSMTA-UHFFFAOYSA-N -1 3 352.459 4.036 20 0 FIADHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(C(C)C)cc1)c2=O ZINC000507924300 1105273588 /nfs/dbraw/zinc/27/35/88/1105273588.db2.gz WZGDXGGHFJGOPS-UHFFFAOYSA-N -1 3 354.381 4.052 20 0 FIADHM COC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000428079221 1105365668 /nfs/dbraw/zinc/36/56/68/1105365668.db2.gz VHNVHUHCZYOUCG-QGZVFWFLSA-N -1 3 365.832 4.011 20 0 FIADHM COC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000428079219 1105365750 /nfs/dbraw/zinc/36/57/50/1105365750.db2.gz VHNVHUHCZYOUCG-KRWDZBQOSA-N -1 3 365.832 4.011 20 0 FIADHM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000530033856 1106767082 /nfs/dbraw/zinc/76/70/82/1106767082.db2.gz DNLXNSLSGYEZDV-KRWDZBQOSA-N -1 3 364.420 4.076 20 0 FIADHM CC[C@@H](CC(F)(F)F)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000451125377 1106938226 /nfs/dbraw/zinc/93/82/26/1106938226.db2.gz LOIWIRKUTJLWMR-VIFPVBQESA-N -1 3 352.316 4.135 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000451144237 1106944008 /nfs/dbraw/zinc/94/40/08/1106944008.db2.gz IJQQYOSQOLUDQN-UHFFFAOYSA-N -1 3 355.331 4.055 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)c3ccccc3F)nc2)n1 ZINC000301190016 1106957910 /nfs/dbraw/zinc/95/79/10/1106957910.db2.gz YCAHURHTVGMGTD-UHFFFAOYSA-N -1 3 366.440 4.335 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccccc3Cl)nc2)n1 ZINC000301193282 1106958847 /nfs/dbraw/zinc/95/88/47/1106958847.db2.gz XMOZYXZQFWKUMN-UHFFFAOYSA-N -1 3 354.841 4.096 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3coc(-c4ccccc4)n3)nc2)n1 ZINC000301448355 1107034718 /nfs/dbraw/zinc/03/47/18/1107034718.db2.gz WIQWBDPGAHNWSY-UHFFFAOYSA-N -1 3 373.416 4.074 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3C3CCCCC3)nc2)n1 ZINC000301543374 1107066105 /nfs/dbraw/zinc/06/61/05/1107066105.db2.gz OOEQRFSEEWUQHE-GOSISDBHSA-N -1 3 352.482 4.356 20 0 FIADHM [O-]c1ccc(CNc2ncnc3c4ccccc4oc32)cc1Br ZINC000301715752 1107121921 /nfs/dbraw/zinc/12/19/21/1107121921.db2.gz XDYBLMAYQUOCJB-UHFFFAOYSA-N -1 3 370.206 4.456 20 0 FIADHM Cc1cc(N2CCCCCC2)ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451677847 1107243239 /nfs/dbraw/zinc/24/32/39/1107243239.db2.gz CVNNRCLRZXOJMO-UHFFFAOYSA-N -1 3 356.441 4.401 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](C)C[C@@H]3c3ccco3)nc2)n1 ZINC000302061651 1107284197 /nfs/dbraw/zinc/28/41/97/1107284197.db2.gz SGVAOGQPPYDTSV-WMLDXEAASA-N -1 3 364.449 4.377 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3Cc4ccccc4C[C@H]3CC)nc2)n1 ZINC000302197738 1107333749 /nfs/dbraw/zinc/33/37/49/1107333749.db2.gz FQYKAAAXXQHELT-LJQANCHMSA-N -1 3 360.461 4.148 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1c[nH]cc1-c1ccccc1 ZINC000531492533 1107929197 /nfs/dbraw/zinc/92/91/97/1107929197.db2.gz FXQKKCHRFUJULM-UHFFFAOYSA-N -1 3 357.207 4.402 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCCC3(C)C)cc2)cc(=O)[n-]1 ZINC000531811542 1108194551 /nfs/dbraw/zinc/19/45/51/1108194551.db2.gz LURJCTSGKHGBGA-KRWDZBQOSA-N -1 3 354.454 4.248 20 0 FIADHM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000523471167 1108243516 /nfs/dbraw/zinc/24/35/16/1108243516.db2.gz BPUWVVZHDRNOQP-QGZVFWFLSA-N -1 3 350.821 4.381 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000523624516 1108388283 /nfs/dbraw/zinc/38/82/83/1108388283.db2.gz MYELJIZBKDCXFV-UHFFFAOYSA-N -1 3 373.239 4.033 20 0 FIADHM CC[C@H](C)c1ccc(NC(=O)Cc2noc(-c3ccccc3[O-])n2)cc1 ZINC000445273632 1108590548 /nfs/dbraw/zinc/59/05/48/1108590548.db2.gz JDBCFJJDDJBAPR-ZDUSSCGKSA-N -1 3 351.406 4.137 20 0 FIADHM CCc1ccc(NC(=O)Cc2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000445323979 1108669945 /nfs/dbraw/zinc/66/99/45/1108669945.db2.gz YEWMWLBSVPEJJQ-UHFFFAOYSA-N -1 3 373.412 4.339 20 0 FIADHM O=C(CCCc1csc2ccccc12)Nc1cccc(-c2nnn[n-]2)c1 ZINC000445688239 1108945232 /nfs/dbraw/zinc/94/52/32/1108945232.db2.gz BYQNBLXVXUQWMM-UHFFFAOYSA-N -1 3 363.446 4.043 20 0 FIADHM O=C(CCCc1csc2ccccc12)Nc1cccc(-c2nn[n-]n2)c1 ZINC000445688239 1108945234 /nfs/dbraw/zinc/94/52/34/1108945234.db2.gz BYQNBLXVXUQWMM-UHFFFAOYSA-N -1 3 363.446 4.043 20 0 FIADHM O=S(=O)([N-][C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1ccco1 ZINC000445675099 1108951815 /nfs/dbraw/zinc/95/18/15/1108951815.db2.gz JRTJRXRVVWOBPC-LJQANCHMSA-N -1 3 373.499 4.288 20 0 FIADHM CC(C)(C)c1nc(C(=O)[N-]c2nnc(-c3ccsc3)s2)cs1 ZINC000524528157 1109054735 /nfs/dbraw/zinc/05/47/35/1109054735.db2.gz TTWXFPAFTGWIHY-UHFFFAOYSA-N -1 3 350.494 4.273 20 0 FIADHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1cccc(CSC2CCCC2)c1 ZINC000445976064 1109061060 /nfs/dbraw/zinc/06/10/60/1109061060.db2.gz AJRFGIGMJAPTKX-AWEZNQCLSA-N -1 3 372.412 4.240 20 0 FIADHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000525007371 1109229758 /nfs/dbraw/zinc/22/97/58/1109229758.db2.gz COYXACMCNVVKMZ-UHFFFAOYSA-N -1 3 372.327 4.049 20 0 FIADHM Cc1nc2cc([N-]S(=O)(=O)Cc3ccc(Cl)cc3Cl)ccc2o1 ZINC000446819561 1109345170 /nfs/dbraw/zinc/34/51/70/1109345170.db2.gz ULRPCWORDIMGDH-UHFFFAOYSA-N -1 3 371.245 4.385 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1cccc(Cl)c1 ZINC000447279842 1109495064 /nfs/dbraw/zinc/49/50/64/1109495064.db2.gz UAXUROVMNJDYKY-UHFFFAOYSA-N -1 3 369.723 4.020 20 0 FIADHM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1ccc(F)c(F)c1 ZINC000447273894 1109501722 /nfs/dbraw/zinc/50/17/22/1109501722.db2.gz JWXZKVDEZBZHMM-UHFFFAOYSA-N -1 3 353.321 4.165 20 0 FIADHM O=[S@](Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccc([O-])cc1 ZINC000447351232 1109521690 /nfs/dbraw/zinc/52/16/90/1109521690.db2.gz ODIRAFQYAQDLIN-RUZDIDTESA-N -1 3 356.418 4.418 20 0 FIADHM O=S(=O)([N-]c1ccsc1Cl)c1ccc(C(F)(F)F)c(F)c1 ZINC000447782593 1109645056 /nfs/dbraw/zinc/64/50/56/1109645056.db2.gz ZSWOPYWNZYBMBB-UHFFFAOYSA-N -1 3 359.753 4.360 20 0 FIADHM CN(C)c1cccc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000526918734 1109645975 /nfs/dbraw/zinc/64/59/75/1109645975.db2.gz RRRQJIIRQTXPDH-UHFFFAOYSA-N -1 3 352.356 4.048 20 0 FIADHM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cccc2n[n-]nc21 ZINC000527105734 1109693782 /nfs/dbraw/zinc/69/37/82/1109693782.db2.gz OEHCSOPSLWMZBY-UHFFFAOYSA-N -1 3 350.328 4.155 20 0 FIADHM Cc1ccc(C(=O)c2ccsc2[N-]C(=O)c2ncc(F)cc2F)cc1 ZINC000448454624 1109803016 /nfs/dbraw/zinc/80/30/16/1109803016.db2.gz MQURZNJPMPYPHR-UHFFFAOYSA-N -1 3 358.369 4.213 20 0 FIADHM CCC(CC)n1nc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)cc1C ZINC000448490927 1109807776 /nfs/dbraw/zinc/80/77/76/1109807776.db2.gz FFXRASBQYBSWJU-UHFFFAOYSA-N -1 3 356.401 4.021 20 0 FIADHM CCOc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)ccc1OC(F)F ZINC000448550255 1109826833 /nfs/dbraw/zinc/82/68/33/1109826833.db2.gz SOXQVJLEHNVTSG-UHFFFAOYSA-N -1 3 365.376 4.017 20 0 FIADHM CCC(NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)(C1CC1)C1CC1 ZINC000528916270 1110153625 /nfs/dbraw/zinc/15/36/25/1110153625.db2.gz JNWBMWJFNPTXBW-UHFFFAOYSA-N -1 3 366.465 4.248 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCc4c(F)cccc43)nc2)n1 ZINC000450565618 1110314566 /nfs/dbraw/zinc/31/45/66/1110314566.db2.gz UPARVRSORBWYTK-GOSISDBHSA-N -1 3 364.424 4.435 20 0 FIADHM O=c1nc(CN2CCC3(C2)CCCCC3)[n-]c2scc(-c3ccco3)c21 ZINC000129978180 1110341660 /nfs/dbraw/zinc/34/16/60/1110341660.db2.gz YDDFMBRGNKZGEL-UHFFFAOYSA-N -1 3 369.490 4.401 20 0 FIADHM CSc1ccc([O-])c(C(=O)NC(C)(C)c2nc3ccccc3s2)c1 ZINC001168124466 1110345304 /nfs/dbraw/zinc/34/53/04/1110345304.db2.gz MTYKRNKDVACQIX-UHFFFAOYSA-N -1 3 358.488 4.389 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(F)cc2C(F)(F)F)[nH][n-]1 ZINC000539321520 1111520859 /nfs/dbraw/zinc/52/08/59/1111520859.db2.gz JEFAYHSRKBIRSB-UHFFFAOYSA-N -1 3 363.314 4.217 20 0 FIADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000552217901 1111620337 /nfs/dbraw/zinc/62/03/37/1111620337.db2.gz AWIMEBUPXBAUJK-UHFFFAOYSA-N -1 3 360.414 4.325 20 0 FIADHM CCc1nc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)c(C)o1 ZINC000552219173 1111621612 /nfs/dbraw/zinc/62/16/12/1111621612.db2.gz IJURGTOYLBTNHI-UHFFFAOYSA-N -1 3 366.805 4.109 20 0 FIADHM CC(=O)c1cccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c1[O-] ZINC000552287672 1111650971 /nfs/dbraw/zinc/65/09/71/1111650971.db2.gz ZPSKWLRUTRNUME-UHFFFAOYSA-N -1 3 370.792 4.084 20 0 FIADHM CC(=O)c1cccc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c1[O-] ZINC000552288414 1111651534 /nfs/dbraw/zinc/65/15/34/1111651534.db2.gz UWYBQWVHVIRPJA-UHFFFAOYSA-N -1 3 366.442 4.208 20 0 FIADHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000479132600 1111951370 /nfs/dbraw/zinc/95/13/70/1111951370.db2.gz PCKJNHGYGPUFHM-UHFFFAOYSA-N -1 3 371.849 4.479 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)c(C)o1 ZINC000479273040 1111984002 /nfs/dbraw/zinc/98/40/02/1111984002.db2.gz RXOFNKWFVVHEDG-UHFFFAOYSA-N -1 3 356.856 4.269 20 0 FIADHM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000479299598 1111988790 /nfs/dbraw/zinc/98/87/90/1111988790.db2.gz YSFJLGBNPDIDAX-UHFFFAOYSA-N -1 3 374.821 4.337 20 0 FIADHM Cc1nccc(CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000479601725 1112083511 /nfs/dbraw/zinc/08/35/11/1112083511.db2.gz VOXVBGHXHKUUHH-UHFFFAOYSA-N -1 3 370.459 4.189 20 0 FIADHM Cn1ncc2c1nc(SCC1CCC(c3ccccc3)CC1)[n-]c2=O ZINC000629220163 1112459792 /nfs/dbraw/zinc/45/97/92/1112459792.db2.gz MDFBRJYHEDYBTL-UHFFFAOYSA-N -1 3 354.479 4.135 20 0 FIADHM O=C(CCOc1ccccc1-c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000156247733 1112465445 /nfs/dbraw/zinc/46/54/45/1112465445.db2.gz QTPCXBVYRSTKHH-UHFFFAOYSA-N -1 3 365.404 4.284 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)c1 ZINC000156564505 1112609512 /nfs/dbraw/zinc/60/95/12/1112609512.db2.gz FVYMJNGVRKYWNX-UHFFFAOYSA-N -1 3 360.841 4.087 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccco3)C(C)C)cc2)cc(=O)[n-]1 ZINC000555417656 1112832636 /nfs/dbraw/zinc/83/26/36/1112832636.db2.gz GFZSGMXGGWAKDV-UHFFFAOYSA-N -1 3 366.421 4.193 20 0 FIADHM CCCc1nc(C)c(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)o1 ZINC000555800896 1113000270 /nfs/dbraw/zinc/00/02/70/1113000270.db2.gz CVFMPKQETWMQIF-UHFFFAOYSA-N -1 3 362.842 4.360 20 0 FIADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-n2cnc3ccccc32)cc1 ZINC000555964713 1113084781 /nfs/dbraw/zinc/08/47/81/1113084781.db2.gz NWGQHCXOVJKWNF-UHFFFAOYSA-N -1 3 363.442 4.135 20 0 FIADHM COC(=O)c1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)[n-]1 ZINC000555966406 1113090093 /nfs/dbraw/zinc/09/00/93/1113090093.db2.gz IYKVPJFACDCFDB-UHFFFAOYSA-N -1 3 369.446 4.102 20 0 FIADHM Cc1ccc(O[C@H]2CCCN(Cc3ccc(Cl)cc3C(=O)[O-])C2)cc1 ZINC001142657213 1113097205 /nfs/dbraw/zinc/09/72/05/1113097205.db2.gz QQQMGAJUTJOGIW-SFHVURJKSA-N -1 3 359.853 4.390 20 0 FIADHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(CC)cc(C)cc2CC)cc1 ZINC000481867574 1113112066 /nfs/dbraw/zinc/11/20/66/1113112066.db2.gz LWDQCGHQBAIESF-UHFFFAOYSA-N -1 3 374.506 4.269 20 0 FIADHM CCc1ccc(-c2cc(C(=O)[N-]c3c(Cl)cncc3Cl)no2)cc1 ZINC001126923537 1113238105 /nfs/dbraw/zinc/23/81/05/1113238105.db2.gz HGEQURUKPBEHNM-UHFFFAOYSA-N -1 3 362.216 4.280 20 0 FIADHM Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(Cl)c1 ZINC000482764542 1113355177 /nfs/dbraw/zinc/35/51/77/1113355177.db2.gz CKIPVZBAUUTULC-UHFFFAOYSA-N -1 3 369.646 4.438 20 0 FIADHM CCCc1ncc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)s1 ZINC000460164616 1113494400 /nfs/dbraw/zinc/49/44/00/1113494400.db2.gz RMXCFHOVGWCYEH-UHFFFAOYSA-N -1 3 350.513 4.322 20 0 FIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(CN2CCCC2)on1 ZINC000486109269 1113507251 /nfs/dbraw/zinc/50/72/51/1113507251.db2.gz KENGXFYAZNHHCX-UHFFFAOYSA-N -1 3 365.886 4.288 20 0 FIADHM CCOc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OCC(F)(F)F ZINC000486128759 1113511327 /nfs/dbraw/zinc/51/13/27/1113511327.db2.gz ZONPMBCBYPYGLH-ALCCZGGFSA-N -1 3 354.328 4.001 20 0 FIADHM O=C(Nc1cccc(COCc2ccco2)c1)c1c[n-]c2ccccc2c1=O ZINC000486471718 1113575022 /nfs/dbraw/zinc/57/50/22/1113575022.db2.gz JABSPQYNWLUDOA-UHFFFAOYSA-N -1 3 374.396 4.090 20 0 FIADHM CCC(CC)CN(CC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486662797 1113614203 /nfs/dbraw/zinc/61/42/03/1113614203.db2.gz ZQMJANWDRRFFAR-UHFFFAOYSA-N -1 3 357.292 4.122 20 0 FIADHM Cc1nc(NCC2CCN(Cc3ccccc3Cl)CC2)ccc1C(=O)[O-] ZINC000910288687 1113846551 /nfs/dbraw/zinc/84/65/51/1113846551.db2.gz RSMFRZPXERTPMW-UHFFFAOYSA-N -1 3 373.884 4.066 20 0 FIADHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2ccccc2c1 ZINC000488684968 1113972883 /nfs/dbraw/zinc/97/28/83/1113972883.db2.gz KVVJHYYPFQFSKI-UHFFFAOYSA-N -1 3 356.219 4.238 20 0 FIADHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1 ZINC000488690149 1113973841 /nfs/dbraw/zinc/97/38/41/1113973841.db2.gz SQRREHBHUAILJX-JTQLQIEISA-N -1 3 368.658 4.228 20 0 FIADHM Cc1[nH]c2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2c1C ZINC000488677770 1113974548 /nfs/dbraw/zinc/97/45/48/1113974548.db2.gz SLYHWYNVLGYJRM-UHFFFAOYSA-N -1 3 373.250 4.183 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cc2ccccc2o1 ZINC000488918965 1114015515 /nfs/dbraw/zinc/01/55/15/1114015515.db2.gz NQODUWWXAFQKCC-JTQLQIEISA-N -1 3 353.802 4.265 20 0 FIADHM O=C(C[C@H](c1ccccc1)C(F)(F)F)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000490163066 1114227812 /nfs/dbraw/zinc/22/78/12/1114227812.db2.gz ZRCWVHLZPGFLPL-OAHLLOKOSA-N -1 3 359.351 4.173 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)c1 ZINC000490234998 1114241955 /nfs/dbraw/zinc/24/19/55/1114241955.db2.gz AAPSNQYXKILXOQ-UHFFFAOYSA-N -1 3 363.295 4.022 20 0 FIADHM Cc1nc(S(=O)(=O)Cc2c(F)cccc2Cl)[n-]c1-c1ccccc1 ZINC000490462464 1114289690 /nfs/dbraw/zinc/28/96/90/1114289690.db2.gz BTPASUHIYLTGBC-UHFFFAOYSA-N -1 3 364.829 4.152 20 0 FIADHM Cc1[n-]c(S(=O)(=O)Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000490462464 1114289694 /nfs/dbraw/zinc/28/96/94/1114289694.db2.gz BTPASUHIYLTGBC-UHFFFAOYSA-N -1 3 364.829 4.152 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1c(Cl)cncc1Cl ZINC000490673328 1114318676 /nfs/dbraw/zinc/31/86/76/1114318676.db2.gz PXENEMFMGXOKKN-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM C[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1c(Cl)cccc1Cl ZINC000586749707 1114388043 /nfs/dbraw/zinc/38/80/43/1114388043.db2.gz ITSLBAXYYXRWNL-QMMMGPOBSA-N -1 3 351.193 4.114 20 0 FIADHM CCc1nn(C)c(OC)c1CN[C@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000156438186 1114440044 /nfs/dbraw/zinc/44/00/44/1114440044.db2.gz OCHWSGXDONUPCZ-CYBMUJFWSA-N -1 3 372.296 4.244 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c1 ZINC000669227776 1114494310 /nfs/dbraw/zinc/49/43/10/1114494310.db2.gz DONGECHHZFBRLG-AUUYWEPGSA-N -1 3 357.475 4.025 20 0 FIADHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2csc(C3CCCCC3)n2)C1 ZINC000572127435 1114610705 /nfs/dbraw/zinc/61/07/05/1114610705.db2.gz DNDDUWNZWXZHOC-OAQYLSRUSA-N -1 3 370.518 4.419 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1F ZINC000590263014 1114917976 /nfs/dbraw/zinc/91/79/76/1114917976.db2.gz GHEAJEPEMPLAAC-UHFFFAOYSA-N -1 3 351.296 4.093 20 0 FIADHM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1ccc(Cl)cc1 ZINC000591683072 1115122208 /nfs/dbraw/zinc/12/22/08/1115122208.db2.gz KWRGILUFOJXWNJ-UHFFFAOYSA-N -1 3 374.849 4.115 20 0 FIADHM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Oc3ccccc3F)c(F)c1)CC2 ZINC000573688997 1115181055 /nfs/dbraw/zinc/18/10/55/1115181055.db2.gz JQBBKPPKQRVKGE-OAHLLOKOSA-N -1 3 373.399 4.444 20 0 FIADHM Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1nc(Cl)c(Cl)cc1Cl ZINC000046414181 1115344275 /nfs/dbraw/zinc/34/42/75/1115344275.db2.gz UOYJOLTUAYCOFM-UHFFFAOYSA-N -1 3 373.602 4.258 20 0 FIADHM Cc1c([O-])ccc2c(CNc3ccc(N(C)C(C)C)c(F)c3)cc(=O)oc12 ZINC000059363755 1115490490 /nfs/dbraw/zinc/49/04/90/1115490490.db2.gz PFRIXTJGGQSZOS-UHFFFAOYSA-N -1 3 370.424 4.403 20 0 FIADHM O=S(=O)([N-]CC1(Sc2ccccc2)CC1)c1cccc(Cl)c1F ZINC000598027845 1115702821 /nfs/dbraw/zinc/70/28/21/1115702821.db2.gz GTLIJSPWGMGZRN-UHFFFAOYSA-N -1 3 371.886 4.082 20 0 FIADHM O=C(Nc1ccc(NC2CCCCC2)cc1)c1cc(F)cc2n[n-]nc21 ZINC000669698567 1115815691 /nfs/dbraw/zinc/81/56/91/1115815691.db2.gz MZHXRJCHINSPEF-UHFFFAOYSA-N -1 3 353.401 4.094 20 0 FIADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000605492948 1115904091 /nfs/dbraw/zinc/90/40/91/1115904091.db2.gz QCWJSPUSMRCINM-UHFFFAOYSA-N -1 3 374.506 4.207 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2c(CC)cccc2CC)cc1OC ZINC000605493079 1115904095 /nfs/dbraw/zinc/90/40/95/1115904095.db2.gz UVZRWKJRVGYPPP-UHFFFAOYSA-N -1 3 363.479 4.020 20 0 FIADHM Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2F)c1 ZINC000605496488 1115904455 /nfs/dbraw/zinc/90/44/55/1115904455.db2.gz UKKHIXKARXRWID-UHFFFAOYSA-N -1 3 373.453 4.244 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c([O-])c1 ZINC000669727951 1115920614 /nfs/dbraw/zinc/92/06/14/1115920614.db2.gz MIJRQCFEBUDLPZ-QGZVFWFLSA-N -1 3 367.493 4.068 20 0 FIADHM O=C(CCc1cccc(OC2CCCC2)c1)NCc1ccc([O-])c(F)c1 ZINC000606536624 1115953923 /nfs/dbraw/zinc/95/39/23/1115953923.db2.gz GZGWMUDFIKORAE-UHFFFAOYSA-N -1 3 357.425 4.102 20 0 FIADHM O=C(Nc1nnc(C2CC2)s1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000607052835 1115991855 /nfs/dbraw/zinc/99/18/55/1115991855.db2.gz CJFDYKYOCXZUHK-UHFFFAOYSA-N -1 3 353.403 4.166 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000533965471 1116063286 /nfs/dbraw/zinc/06/32/86/1116063286.db2.gz WKVCBOUXMBFMMS-ZJUUUORDSA-N -1 3 366.177 4.462 20 0 FIADHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000063427778 1116064182 /nfs/dbraw/zinc/06/41/82/1116064182.db2.gz KAQORCSLEULZJV-WCRSTISQSA-N -1 3 374.651 4.211 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OC2CCC2)cc1 ZINC000608111269 1116082743 /nfs/dbraw/zinc/08/27/43/1116082743.db2.gz OXOAUTWFFIZAFW-UHFFFAOYSA-N -1 3 362.223 4.338 20 0 FIADHM O=c1[n-]c(CN2CCC(C3CCCC3)CC2)nc2c3ccccc3oc21 ZINC000608566436 1116116479 /nfs/dbraw/zinc/11/64/79/1116116479.db2.gz QBQRJYVGZQGCRJ-UHFFFAOYSA-N -1 3 351.450 4.484 20 0 FIADHM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000462364431 1116340751 /nfs/dbraw/zinc/34/07/51/1116340751.db2.gz VUCYWOSWADYLCA-CYBMUJFWSA-N -1 3 353.871 4.112 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000462377424 1116341471 /nfs/dbraw/zinc/34/14/71/1116341471.db2.gz ADZMGXQNXLCVPD-INIZCTEOSA-N -1 3 358.507 4.156 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 ZINC000539839653 1116390985 /nfs/dbraw/zinc/39/09/85/1116390985.db2.gz CUMHIVKNPHEZFF-UHFFFAOYSA-N -1 3 360.457 4.235 20 0 FIADHM COc1cc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)cc(OC)c1[O-] ZINC000463062964 1117948059 /nfs/dbraw/zinc/94/80/59/1117948059.db2.gz ZRTOCNMEIKROPY-JXFKEZNVSA-N -1 3 369.461 4.099 20 0 FIADHM O=c1[n-]c(-c2ccc(Br)o2)nc2sc3c(c21)CCCS3 ZINC000463220430 1118033243 /nfs/dbraw/zinc/03/32/43/1118033243.db2.gz CAZXJUVNYUXXFE-UHFFFAOYSA-N -1 3 369.265 4.458 20 0 FIADHM O=[S@@](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc([O-])cc1 ZINC000463693775 1118284936 /nfs/dbraw/zinc/28/49/36/1118284936.db2.gz UBUNFMVLUFJHOI-QHCPKHFHSA-N -1 3 369.229 4.057 20 0 FIADHM Cc1ccc(-c2nc(C(=O)[N-]c3ncn(C4CCCCC4)n3)cs2)cc1 ZINC000541444313 1118515943 /nfs/dbraw/zinc/51/59/43/1118515943.db2.gz NEIKLORUYVIYEG-UHFFFAOYSA-N -1 3 367.478 4.468 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]Cc2c(OC(C)C)ccc3ccccc32)o1 ZINC000464360460 1118534031 /nfs/dbraw/zinc/53/40/31/1118534031.db2.gz KREVNCSKZJJTJH-UHFFFAOYSA-N -1 3 359.447 4.007 20 0 FIADHM Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1[O-] ZINC000303108581 1118806502 /nfs/dbraw/zinc/80/65/02/1118806502.db2.gz NGGSZOZRMLUFRR-UHFFFAOYSA-N -1 3 352.415 4.267 20 0 FIADHM Cc1ncc(CNCc2ccc(-c3ccc(C(C)(C)C)cc3)o2)c(=O)[n-]1 ZINC000542306815 1118895972 /nfs/dbraw/zinc/89/59/72/1118895972.db2.gz JJEICIRHUMHXJH-UHFFFAOYSA-N -1 3 351.450 4.338 20 0 FIADHM Cc1cc(C(=O)NCc2cnc(C)[n-]c2=O)sc1-c1cccc(Cl)c1 ZINC000542389924 1118920629 /nfs/dbraw/zinc/92/06/29/1118920629.db2.gz GVIQRNDIBZBILN-UHFFFAOYSA-N -1 3 373.865 4.111 20 0 FIADHM COc1cccc(-c2nc(C(=O)[N-]c3csc4ccccc34)no2)c1 ZINC000491529086 1118958054 /nfs/dbraw/zinc/95/80/54/1118958054.db2.gz ACZWKWYMLGAAME-UHFFFAOYSA-N -1 3 351.387 4.212 20 0 FIADHM CCC(CC)c1nnc([N-]C(=O)c2sc([C@@H](C)OC)nc2C)s1 ZINC000175278546 1119194113 /nfs/dbraw/zinc/19/41/13/1119194113.db2.gz YSQKPMKRQQCZOK-SECBINFHSA-N -1 3 354.501 4.166 20 0 FIADHM COc1cccc(-c2nsc([N-]C(=O)c3scnc3C(C)(C)C)n2)c1 ZINC000177405701 1119328273 /nfs/dbraw/zinc/32/82/73/1119328273.db2.gz MNBBXBHUPYMECM-UHFFFAOYSA-N -1 3 374.491 4.220 20 0 FIADHM COc1cccc2sc([N-]C(=O)c3c(F)c(F)cc(F)c3F)nc21 ZINC000177817304 1119354559 /nfs/dbraw/zinc/35/45/59/1119354559.db2.gz KGQQASVJJNICDC-UHFFFAOYSA-N -1 3 356.300 4.114 20 0 FIADHM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cscc1C ZINC001272547408 1119385184 /nfs/dbraw/zinc/38/51/84/1119385184.db2.gz JGFZRIASJLXJTM-UHFFFAOYSA-N -1 3 356.403 4.141 20 0 FIADHM C[C@H](Sc1ncccn1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000006291876 1119436991 /nfs/dbraw/zinc/43/69/91/1119436991.db2.gz UMVAXNVJXWTTIG-VIFPVBQESA-N -1 3 372.500 4.356 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CCCC(F)(F)F)nc2)n1 ZINC000493392617 1119450717 /nfs/dbraw/zinc/45/07/17/1119450717.db2.gz XOUYEJQAKCBHFJ-NSHDSACASA-N -1 3 354.376 4.340 20 0 FIADHM Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)n[n-]2)o1 ZINC000184484848 1119611141 /nfs/dbraw/zinc/61/11/41/1119611141.db2.gz XBRHPRQKTXXTCK-UHFFFAOYSA-N -1 3 370.718 4.298 20 0 FIADHM C[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c2c([O-])cccc21 ZINC000186295366 1119719848 /nfs/dbraw/zinc/71/98/48/1119719848.db2.gz QCUKNHGCQYVHHZ-CQSZACIVSA-N -1 3 360.413 4.105 20 0 FIADHM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(CC(F)(F)F)cc1 ZINC000189287722 1119883601 /nfs/dbraw/zinc/88/36/01/1119883601.db2.gz YMPBOEMOGDATPG-UHFFFAOYSA-N -1 3 369.286 4.010 20 0 FIADHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000494636694 1120012443 /nfs/dbraw/zinc/01/24/43/1120012443.db2.gz XYAIKSSRNHAYAW-UHFFFAOYSA-N -1 3 365.760 4.082 20 0 FIADHM CC(C)c1cnc(NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000192398550 1120061147 /nfs/dbraw/zinc/06/11/47/1120061147.db2.gz SDQVSTDGVYKGAU-UHFFFAOYSA-N -1 3 370.272 4.056 20 0 FIADHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C1 ZINC000542516533 1120335785 /nfs/dbraw/zinc/33/57/85/1120335785.db2.gz NAFDBFPBQDBCEN-MRXNPFEDSA-N -1 3 358.507 4.300 20 0 FIADHM COC(=O)c1oc2ccccc2c1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000914624573 1120429927 /nfs/dbraw/zinc/42/99/27/1120429927.db2.gz DUIBKGUWAPNUJX-UHFFFAOYSA-N -1 3 368.172 4.211 20 0 FIADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc21 ZINC000495107118 1120478936 /nfs/dbraw/zinc/47/89/36/1120478936.db2.gz XYXPGMAHORFYOU-GWCFXTLKSA-N -1 3 352.360 4.079 20 0 FIADHM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000495107118 1120478943 /nfs/dbraw/zinc/47/89/43/1120478943.db2.gz XYXPGMAHORFYOU-GWCFXTLKSA-N -1 3 352.360 4.079 20 0 FIADHM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914889990 1120628833 /nfs/dbraw/zinc/62/88/33/1120628833.db2.gz AMJZDRRGHVWJLB-JTQLQIEISA-N -1 3 360.460 4.135 20 0 FIADHM Cc1ncc(-c2ccccc2)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000762238430 1120818433 /nfs/dbraw/zinc/81/84/33/1120818433.db2.gz JAYHTDYTODTPIP-UHFFFAOYSA-N -1 3 355.397 4.151 20 0 FIADHM COCCOc1c(Cl)cccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471874287 1121113377 /nfs/dbraw/zinc/11/33/77/1121113377.db2.gz GKTAZLSCYCIKOI-UHFFFAOYSA-N -1 3 371.820 4.476 20 0 FIADHM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccc(F)c(F)c1 ZINC000193983840 1121186964 /nfs/dbraw/zinc/18/69/64/1121186964.db2.gz QBQAKPDIAVTTCP-UHFFFAOYSA-N -1 3 373.384 4.159 20 0 FIADHM CC(C)OCCS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000043768099 1121207519 /nfs/dbraw/zinc/20/75/19/1121207519.db2.gz OLWNKFPGIMLSFO-LLVKDONJSA-N -1 3 364.492 4.464 20 0 FIADHM COc1ccccc1-c1nc(CSCc2nc(C)cc(=O)[n-]2)cs1 ZINC000763210456 1121281279 /nfs/dbraw/zinc/28/12/79/1121281279.db2.gz ZNQJNHXTNTXAJU-UHFFFAOYSA-N -1 3 359.476 4.056 20 0 FIADHM Cc1cc(=O)[n-]c(CS[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n1 ZINC000763213929 1121281590 /nfs/dbraw/zinc/28/15/90/1121281590.db2.gz VEYOZVLRKFMWQV-ZDUSSCGKSA-N -1 3 359.495 4.049 20 0 FIADHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1C(F)(F)F ZINC000056319188 1121326617 /nfs/dbraw/zinc/32/66/17/1121326617.db2.gz MPUDZRLLYLVRSK-LLVKDONJSA-N -1 3 360.335 4.038 20 0 FIADHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1c[n-]c2ccccc2c1=O ZINC000032663443 1121341517 /nfs/dbraw/zinc/34/15/17/1121341517.db2.gz CLNGWFYJFVCBCY-UHFFFAOYSA-N -1 3 364.735 4.035 20 0 FIADHM CCC(CC)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccs1 ZINC000057255314 1121361487 /nfs/dbraw/zinc/36/14/87/1121361487.db2.gz PHHQCNVABSRGJR-IBGZPJMESA-N -1 3 354.475 4.497 20 0 FIADHM Cc1cnc(Cl)c(S(=O)(=O)[N-]C2(c3ccccc3Cl)CCC2)c1 ZINC001212371045 1121426292 /nfs/dbraw/zinc/42/62/92/1121426292.db2.gz XWIAERLVVHOSBX-UHFFFAOYSA-N -1 3 371.289 4.055 20 0 FIADHM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1 ZINC000062022795 1121561682 /nfs/dbraw/zinc/56/16/82/1121561682.db2.gz IQSMGTFBESGPLD-UHFFFAOYSA-N -1 3 372.490 4.015 20 0 FIADHM Cc1nc(C)c(CCC(=O)Nc2cccc(C3CCCCC3)c2)c(=O)[n-]1 ZINC000530264908 1121566575 /nfs/dbraw/zinc/56/65/75/1121566575.db2.gz MVLIUQLEBTYWCX-UHFFFAOYSA-N -1 3 353.466 4.418 20 0 FIADHM CN(C)c1nc2sc(C(=O)Nc3cc(Cl)ccc3[O-])cc2s1 ZINC000065104957 1121655047 /nfs/dbraw/zinc/65/50/47/1121655047.db2.gz WEUKVOMQVYHMRJ-UHFFFAOYSA-N -1 3 353.856 4.035 20 0 FIADHM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2ccccc2Cl)n1 ZINC000066269513 1121738331 /nfs/dbraw/zinc/73/83/31/1121738331.db2.gz HVVVWAQFSAMLPR-UHFFFAOYSA-N -1 3 362.867 4.445 20 0 FIADHM Cc1cc(Br)oc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125357429 1121773142 /nfs/dbraw/zinc/77/31/42/1121773142.db2.gz QZGXWJPGARPUPN-UHFFFAOYSA-N -1 3 364.117 4.327 20 0 FIADHM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125379999 1121774069 /nfs/dbraw/zinc/77/40/69/1121774069.db2.gz FLNJOQMHDKKMLY-QWHCGFSZSA-N -1 3 351.324 4.162 20 0 FIADHM O=C(Nc1ccc(SCc2cccnc2)cc1)c1c([O-])cccc1O ZINC000125606598 1121796163 /nfs/dbraw/zinc/79/61/63/1121796163.db2.gz LWPIPIQJLKQAGN-UHFFFAOYSA-N -1 3 352.415 4.037 20 0 FIADHM COC(=O)c1ccc2ccccc2c1OC(=O)c1cc2ccsc2[n-]1 ZINC000916861968 1121899245 /nfs/dbraw/zinc/89/92/45/1121899245.db2.gz WBVZJGYPXDKQIZ-UHFFFAOYSA-N -1 3 351.383 4.388 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC2(C)C)cc1 ZINC000125999033 1121906196 /nfs/dbraw/zinc/90/61/96/1121906196.db2.gz MYSWYDPNBFPYPD-QGZVFWFLSA-N -1 3 372.490 4.089 20 0 FIADHM Cc1noc(C)c1[N-]C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000073103050 1121920075 /nfs/dbraw/zinc/92/00/75/1121920075.db2.gz DCHWGTZWPOTGTC-UHFFFAOYSA-N -1 3 360.826 4.138 20 0 FIADHM Cc1ccc(C2(C(=O)Nc3cc(Cl)ccc3[O-])CCOCC2)cc1C ZINC000654936104 1121967117 /nfs/dbraw/zinc/96/71/17/1121967117.db2.gz RZGYMLUZFXRCSO-UHFFFAOYSA-N -1 3 359.853 4.349 20 0 FIADHM CC(C)(C)c1ncsc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126593340 1121968357 /nfs/dbraw/zinc/96/83/57/1121968357.db2.gz AHPKXAOPQLXIDB-UHFFFAOYSA-N -1 3 355.257 4.161 20 0 FIADHM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3cccc4ocnc43)on2)c1 ZINC001128083024 1122243707 /nfs/dbraw/zinc/24/37/07/1122243707.db2.gz IFDSXDHEXPITOA-UHFFFAOYSA-N -1 3 369.764 4.397 20 0 FIADHM O=C(c1cc([O-])ccc1Cl)N1CCc2c(Br)cccc2C1 ZINC001143057342 1122261320 /nfs/dbraw/zinc/26/13/20/1122261320.db2.gz UZDLPKUKELFULU-UHFFFAOYSA-N -1 3 366.642 4.007 20 0 FIADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)nc(-c2ccc(Cl)cc2)n1 ZINC000128450704 1122298005 /nfs/dbraw/zinc/29/80/05/1122298005.db2.gz FZYNVHQZDAYVJR-UHFFFAOYSA-N -1 3 357.772 4.202 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000497672676 1122349502 /nfs/dbraw/zinc/34/95/02/1122349502.db2.gz OHUNAAYBTMMRFS-HNNXBMFYSA-N -1 3 360.404 4.150 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000128675335 1122373178 /nfs/dbraw/zinc/37/31/78/1122373178.db2.gz GQIBBJXAIKCAQL-WDEREUQCSA-N -1 3 355.287 4.172 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1C ZINC000917715519 1122407515 /nfs/dbraw/zinc/40/75/15/1122407515.db2.gz XUHDCTJGSKRBDD-UHFFFAOYSA-N -1 3 373.446 4.428 20 0 FIADHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(OC2CCCC2)cc1 ZINC000917717299 1122409265 /nfs/dbraw/zinc/40/92/65/1122409265.db2.gz CNAFIBWMYLTQTJ-UHFFFAOYSA-N -1 3 353.390 4.087 20 0 FIADHM CCc1cc2c(CN[C@@H](C)c3c(F)cccc3F)cc(=O)oc2cc1[O-] ZINC000917938200 1122492562 /nfs/dbraw/zinc/49/25/62/1122492562.db2.gz JOXSSESZIQQVRM-NSHDSACASA-N -1 3 359.372 4.190 20 0 FIADHM Cc1nc(COc2cccc(C(=O)Nc3cccc([O-])c3F)c2)cs1 ZINC000129041637 1122508381 /nfs/dbraw/zinc/50/83/81/1122508381.db2.gz RTYUIMGNVSJBJZ-UHFFFAOYSA-N -1 3 358.394 4.128 20 0 FIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000129122260 1122538330 /nfs/dbraw/zinc/53/83/30/1122538330.db2.gz FRSSVQDXTDAZOB-NEPJUHHUSA-N -1 3 350.187 4.036 20 0 FIADHM CC(=O)c1cccc(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)c1[O-] ZINC000556892018 1123179604 /nfs/dbraw/zinc/17/96/04/1123179604.db2.gz FYGWDERUJINONY-UHFFFAOYSA-N -1 3 364.401 4.130 20 0 FIADHM CCCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1OCC ZINC000556893719 1123180453 /nfs/dbraw/zinc/18/04/53/1123180453.db2.gz ZGGWFJYPYZAUDJ-UHFFFAOYSA-N -1 3 357.406 4.035 20 0 FIADHM CCCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cccc(C)c1 ZINC000132240896 1123234468 /nfs/dbraw/zinc/23/44/68/1123234468.db2.gz OEPCXXTYAWKQLX-AWEZNQCLSA-N -1 3 369.494 4.321 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000132775028 1123358748 /nfs/dbraw/zinc/35/87/48/1123358748.db2.gz LLQSWLNLQWIWTK-UHFFFAOYSA-N -1 3 373.396 4.381 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(F)c4c3C(=O)C[C@H]4C)n[n-]2)o1 ZINC000920154917 1123380801 /nfs/dbraw/zinc/38/08/01/1123380801.db2.gz UOKFRFHOJZYOJF-SECBINFHSA-N -1 3 354.337 4.026 20 0 FIADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(F)c4c3C(=O)C[C@H]4C)[n-]n2)o1 ZINC000920154917 1123380807 /nfs/dbraw/zinc/38/08/07/1123380807.db2.gz UOKFRFHOJZYOJF-SECBINFHSA-N -1 3 354.337 4.026 20 0 FIADHM CSc1cc(C(=O)NCc2ccc([O-])c(F)c2)c(Cl)cc1Cl ZINC000133557572 1123498644 /nfs/dbraw/zinc/49/86/44/1123498644.db2.gz AVUVEDMMGNJHJJ-UHFFFAOYSA-N -1 3 360.237 4.490 20 0 FIADHM COc1ccc(F)cc1[C@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000921006104 1123553211 /nfs/dbraw/zinc/55/32/11/1123553211.db2.gz RMKZCAFTYHTBJQ-JTQLQIEISA-N -1 3 357.759 4.457 20 0 FIADHM O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134105959 1123592164 /nfs/dbraw/zinc/59/21/64/1123592164.db2.gz MBQVBVXLRKFZGK-UHFFFAOYSA-N -1 3 369.343 4.023 20 0 FIADHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000134109409 1123592977 /nfs/dbraw/zinc/59/29/77/1123592977.db2.gz PUBAAYGSTKFAOD-QMMMGPOBSA-N -1 3 360.357 4.136 20 0 FIADHM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)c2)cs1 ZINC000134196210 1123604137 /nfs/dbraw/zinc/60/41/37/1123604137.db2.gz MKFMPELSESCJFD-UHFFFAOYSA-N -1 3 367.352 4.423 20 0 FIADHM COc1cc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)cc(OC)c1[O-] ZINC000134360985 1123630970 /nfs/dbraw/zinc/63/09/70/1123630970.db2.gz NUKQMTFWIKAIOK-GOSISDBHSA-N -1 3 369.461 4.037 20 0 FIADHM COc1ccc(Nc2nc(C(=O)[N-]c3c(C)noc3C3CC3)cs2)cc1 ZINC000135595081 1123775486 /nfs/dbraw/zinc/77/54/86/1123775486.db2.gz GIHSLOYOEDXGDB-UHFFFAOYSA-N -1 3 370.434 4.321 20 0 FIADHM CCCNc1nnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)s1 ZINC000079316950 1123876353 /nfs/dbraw/zinc/87/63/53/1123876353.db2.gz FGOYNGATQXODFQ-UHFFFAOYSA-N -1 3 373.463 4.047 20 0 FIADHM Cc1noc([N-]C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1 ZINC000615711901 1124088333 /nfs/dbraw/zinc/08/83/33/1124088333.db2.gz VQFYLEFNOJVDNK-UHFFFAOYSA-N -1 3 354.218 4.088 20 0 FIADHM CSc1ccsc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000108208567 1124259527 /nfs/dbraw/zinc/25/95/27/1124259527.db2.gz LGHWPWIEFAQHFK-UHFFFAOYSA-N -1 3 365.480 4.304 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000108242378 1124268294 /nfs/dbraw/zinc/26/82/94/1124268294.db2.gz FSOXTBOEMOZBBR-UHFFFAOYSA-N -1 3 360.479 4.089 20 0 FIADHM Clc1cccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)s2)c1 ZINC000542782530 1124268876 /nfs/dbraw/zinc/26/88/76/1124268876.db2.gz AGYUJYAPDOMLKJ-UHFFFAOYSA-N -1 3 359.886 4.141 20 0 FIADHM Clc1cccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)s2)c1 ZINC000542782530 1124268883 /nfs/dbraw/zinc/26/88/83/1124268883.db2.gz AGYUJYAPDOMLKJ-UHFFFAOYSA-N -1 3 359.886 4.141 20 0 FIADHM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1cc(Br)ccc1[O-] ZINC000765886474 1124319106 /nfs/dbraw/zinc/31/91/06/1124319106.db2.gz VPVLFJJMTKTDNE-KXFIGUGUSA-N -1 3 357.207 4.288 20 0 FIADHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000616987162 1124420393 /nfs/dbraw/zinc/42/03/93/1124420393.db2.gz INAUZMIKUHLFOH-UHFFFAOYSA-N -1 3 368.264 4.025 20 0 FIADHM COCc1c2ccccc2oc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617097886 1124443783 /nfs/dbraw/zinc/44/37/83/1124443783.db2.gz HAUSZEHOVOCUOX-UHFFFAOYSA-N -1 3 359.451 4.272 20 0 FIADHM O=C(CCCSc1ccc(Cl)cc1)NCc1ccc([O-])c(F)c1 ZINC000303894953 1124511746 /nfs/dbraw/zinc/51/17/46/1124511746.db2.gz ZWHKVOXYYIVPMA-UHFFFAOYSA-N -1 3 353.846 4.373 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1 ZINC000007054665 1124859385 /nfs/dbraw/zinc/85/93/85/1124859385.db2.gz BUUHXGFYUHCRPG-CQSZACIVSA-N -1 3 361.463 4.162 20 0 FIADHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2sccc2COC)cc1 ZINC000181421154 1124913694 /nfs/dbraw/zinc/91/36/94/1124913694.db2.gz WOEJXSOAPZALQU-DYVFJYSZSA-N -1 3 370.474 4.369 20 0 FIADHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cnc2ccccc2n1 ZINC000056249100 1125110982 /nfs/dbraw/zinc/11/09/82/1125110982.db2.gz BXXVPGOKYZGSQF-UHFFFAOYSA-N -1 3 367.821 4.054 20 0 FIADHM C[C@@H](S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](C)O ZINC000253545041 1125250652 /nfs/dbraw/zinc/25/06/52/1125250652.db2.gz NMVLYALRRDSZOR-AEJSXWLSSA-N -1 3 350.465 4.220 20 0 FIADHM COc1cccc([C@]2(C)CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)c1 ZINC000618745134 1125261771 /nfs/dbraw/zinc/26/17/71/1125261771.db2.gz JWWIMSQBDBWXOK-JOCHJYFZSA-N -1 3 371.452 4.053 20 0 FIADHM COc1cc(C)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1OC ZINC000016095711 220178469 /nfs/dbraw/zinc/17/84/69/220178469.db2.gz QLWIQHGRTZVFRG-UHFFFAOYSA-N -1 3 363.479 4.047 20 0 FIADHM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)S1 ZINC000103218905 222326478 /nfs/dbraw/zinc/32/64/78/222326478.db2.gz JTRQGOJQBJHGRJ-YBEGLDIGSA-N -1 3 365.389 4.002 20 0 FIADHM Cc1cc(-c2cc(C(=O)Nc3ccccc3[O-])c3c(C)noc3n2)c(C)o1 ZINC000198377464 567975381 /nfs/dbraw/zinc/97/53/81/567975381.db2.gz NGIWHBHFOGLDDP-UHFFFAOYSA-N -1 3 363.373 4.366 20 0 FIADHM Cc1ccc([N-]C(=O)c2ocnc2C(F)F)c(-c2nc(C3CC3)no2)c1 ZINC000636948476 568217364 /nfs/dbraw/zinc/21/73/64/568217364.db2.gz BCYZZPMJKUZGTN-UHFFFAOYSA-N -1 3 360.320 4.100 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)C(C)(C)C)cc2)cc1 ZINC000604305916 568247459 /nfs/dbraw/zinc/24/74/59/568247459.db2.gz NQWWFBYIJGOULW-HNNXBMFYSA-N -1 3 374.506 4.417 20 0 FIADHM CCOC(=O)c1sc(/C=C\c2cc(Cl)c([O-])c(OC)c2)nc1C ZINC000604565383 568317068 /nfs/dbraw/zinc/31/70/68/568317068.db2.gz MVUQIPYXJQQEHB-WAYWQWQTSA-N -1 3 353.827 4.166 20 0 FIADHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC3CCCCC3)cc2)c(=O)[n-]1 ZINC000604710637 568354717 /nfs/dbraw/zinc/35/47/17/568354717.db2.gz UDAJJJQYIRUSKD-UHFFFAOYSA-N -1 3 369.465 4.082 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c(C)c1 ZINC000007055675 568436028 /nfs/dbraw/zinc/43/60/28/568436028.db2.gz QQDKLMQOWFFIII-UHFFFAOYSA-N -1 3 359.447 4.146 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1 ZINC000007109238 568455800 /nfs/dbraw/zinc/45/58/00/568455800.db2.gz SEMBAZCVPUSOER-UHFFFAOYSA-N -1 3 374.487 4.318 20 0 FIADHM C[C@@H](Nc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1)c1ccccc1 ZINC000050005735 568656479 /nfs/dbraw/zinc/65/64/79/568656479.db2.gz SORKDIGWHUNRHS-CQSZACIVSA-N -1 3 357.417 4.383 20 0 FIADHM CCc1ccc([C@@H](CC)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182730218 1125608218 /nfs/dbraw/zinc/60/82/18/1125608218.db2.gz VXAWVNGZDLFALF-QGZVFWFLSA-N -1 3 362.495 4.192 20 0 FIADHM O=c1[n-]c(CN2CCC[C@H]2c2ccc(O)cc2)nc2c3ccccc3oc21 ZINC000619968244 1125747013 /nfs/dbraw/zinc/74/70/13/1125747013.db2.gz YXMGGEZZUGFHFM-INIZCTEOSA-N -1 3 361.401 4.124 20 0 FIADHM O=c1[n-]c(CN2CCC[C@@H]2c2ccc(O)cc2)nc2c3ccccc3oc21 ZINC000619968245 1125747267 /nfs/dbraw/zinc/74/72/67/1125747267.db2.gz YXMGGEZZUGFHFM-MRXNPFEDSA-N -1 3 361.401 4.124 20 0 FIADHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1OCc1cscn1 ZINC000579718134 1079568351 /nfs/dbraw/zinc/56/83/51/1079568351.db2.gz OXPUHUOTOUEBIV-CQSZACIVSA-N -1 3 354.497 4.043 20 0 FIADHM COc1ccc([C@@H](CC(=O)[O-])NCc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000683172015 1079802173 /nfs/dbraw/zinc/80/21/73/1079802173.db2.gz TUXFTGXPOBQLKQ-MRXNPFEDSA-N -1 3 371.330 4.159 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC ZINC000683173078 1079808131 /nfs/dbraw/zinc/80/81/31/1079808131.db2.gz JKUUBFMUHNBNPJ-YCRPNKLZSA-N -1 3 371.477 4.405 20 0 FIADHM CC[C@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)ccc1OC ZINC000683173065 1079808438 /nfs/dbraw/zinc/80/84/38/1079808438.db2.gz JKUUBFMUHNBNPJ-BTYIYWSLSA-N -1 3 371.477 4.405 20 0 FIADHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(C2CCC2)cc1 ZINC000784931747 1079919469 /nfs/dbraw/zinc/91/94/69/1079919469.db2.gz STOFDCBGAONWEX-UHFFFAOYSA-N -1 3 350.374 4.067 20 0 FIADHM C[C@@H]1C[C@H]1c1noc(CC2CCN(Cc3cccc([O-])c3Cl)CC2)n1 ZINC000651954108 1079951827 /nfs/dbraw/zinc/95/18/27/1079951827.db2.gz FJYCBEBLOYNFEI-IUODEOHRSA-N -1 3 361.873 4.007 20 0 FIADHM N#Cc1ccc(CN(Cc2c([O-])ccc3ccncc32)CC(F)(F)F)cc1 ZINC000066371794 1079994201 /nfs/dbraw/zinc/99/42/01/1079994201.db2.gz ZPRYGFHROHWNFQ-UHFFFAOYSA-N -1 3 371.362 4.377 20 0 FIADHM C[C@@H](c1cccs1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000023873379 1080025549 /nfs/dbraw/zinc/02/55/49/1080025549.db2.gz NMGJJQRRNHFIOR-NSHDSACASA-N -1 3 371.487 4.499 20 0 FIADHM O=c1[n-]c(CN2CC[C@@](F)(c3ccccc3)C2)nc2c3ccccc3oc21 ZINC000579862778 1080192182 /nfs/dbraw/zinc/19/21/82/1080192182.db2.gz HIXMGWJPVGUVBO-NRFANRHFSA-N -1 3 363.392 4.152 20 0 FIADHM CCC(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000063304809 1080273000 /nfs/dbraw/zinc/27/30/00/1080273000.db2.gz TZXXBCJZIUZXEY-UHFFFAOYSA-N -1 3 374.506 4.479 20 0 FIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180286344 1080475938 /nfs/dbraw/zinc/47/59/38/1080475938.db2.gz ZQRCKJKGUFOZTG-UHFFFAOYSA-N -1 3 351.642 4.151 20 0 FIADHM CO[C@](C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1F ZINC000430302220 1080523127 /nfs/dbraw/zinc/52/31/27/1080523127.db2.gz KZUJITMSOWLRRZ-INIZCTEOSA-N -1 3 357.303 4.050 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000471243362 1080552505 /nfs/dbraw/zinc/55/25/05/1080552505.db2.gz YDNWQRYPZGEJBA-UHFFFAOYSA-N -1 3 355.344 4.054 20 0 FIADHM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2C1 ZINC000045946946 1080647900 /nfs/dbraw/zinc/64/79/00/1080647900.db2.gz GNZSRICNJWKGHT-VIFPVBQESA-N -1 3 372.416 4.288 20 0 FIADHM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2C1 ZINC000045946946 1080647905 /nfs/dbraw/zinc/64/79/05/1080647905.db2.gz GNZSRICNJWKGHT-VIFPVBQESA-N -1 3 372.416 4.288 20 0 FIADHM O=C(Nc1ccccc1O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430403131 1080908281 /nfs/dbraw/zinc/90/82/81/1080908281.db2.gz OBZUTJGWJSSROY-UHFFFAOYSA-N -1 3 372.380 4.278 20 0 FIADHM Cc1ccc(CCC2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cc1 ZINC000032918708 1080919333 /nfs/dbraw/zinc/91/93/33/1080919333.db2.gz AXVDLJFWDUPYLJ-UHFFFAOYSA-N -1 3 374.484 4.322 20 0 FIADHM Cc1ccnc(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c1 ZINC000430410098 1080935079 /nfs/dbraw/zinc/93/50/79/1080935079.db2.gz VKSHEFQACCHYNP-UHFFFAOYSA-N -1 3 371.396 4.276 20 0 FIADHM O=c1[n-]c(CN2Cc3ccccc3C3(CC3)C2)nc2c3ccccc3oc21 ZINC000547837426 1080949218 /nfs/dbraw/zinc/94/92/18/1080949218.db2.gz LKVWYFABQRLNMO-UHFFFAOYSA-N -1 3 357.413 4.129 20 0 FIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001648861049 1081323568 /nfs/dbraw/zinc/32/35/68/1081323568.db2.gz NJWMIUJIGBVONU-YOEHRIQHSA-N -1 3 367.342 4.098 20 0 FIADHM O=C([O-])CCN(Cc1coc(-c2ccccc2C(F)(F)F)n1)CC1CC1 ZINC000634691226 1081399814 /nfs/dbraw/zinc/39/98/14/1081399814.db2.gz CKIXSPJYKKXEQK-UHFFFAOYSA-N -1 3 368.355 4.047 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000580035012 1081503721 /nfs/dbraw/zinc/50/37/21/1081503721.db2.gz DTXWWBQSVABKRS-AAEUAGOBSA-N -1 3 368.264 4.012 20 0 FIADHM Cc1ccccc1C(F)(F)C(=O)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC001167345358 1081527171 /nfs/dbraw/zinc/52/71/71/1081527171.db2.gz HHWSQUABWZESGG-CQSZACIVSA-N -1 3 374.214 4.243 20 0 FIADHM C[C@@H](NCc1csc(-c2cccs2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656099595 1081550129 /nfs/dbraw/zinc/55/01/29/1081550129.db2.gz YJKIXKGSCGDGCH-KGYLQXTDSA-N -1 3 350.509 4.097 20 0 FIADHM O=C([O-])c1ccc2c(c1)CN(CCCOc1cccc3ccccc31)CC2 ZINC000580084817 1081580654 /nfs/dbraw/zinc/58/06/54/1081580654.db2.gz ANFFNNLCSQSDNU-UHFFFAOYSA-N -1 3 361.441 4.365 20 0 FIADHM CC(C)Oc1ccc(-c2nc(C(=O)[N-]c3ncn(C(C)C)n3)cs2)cc1 ZINC000650279978 1081854878 /nfs/dbraw/zinc/85/48/78/1081854878.db2.gz GZTMDXQQSSRDLC-UHFFFAOYSA-N -1 3 371.466 4.022 20 0 FIADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(NC(C)=O)ccc2[O-])o1 ZINC000122703512 1081912328 /nfs/dbraw/zinc/91/23/28/1081912328.db2.gz YOJRGRQOMKDMKQ-GOSISDBHSA-N -1 3 370.449 4.264 20 0 FIADHM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC2(CCSCC2)CC1 ZINC000634695969 1081923804 /nfs/dbraw/zinc/92/38/04/1081923804.db2.gz DKOWHMKIOKPKFL-OAHLLOKOSA-N -1 3 357.878 4.214 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C)(CC(C)C)CC3)nc2)n1 ZINC000580474880 1081964703 /nfs/dbraw/zinc/96/47/03/1081964703.db2.gz RVCIWJPCYIKZMQ-UHFFFAOYSA-N -1 3 354.498 4.459 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1sc(N2CCCC2)nc1Cl ZINC000754489250 1081982419 /nfs/dbraw/zinc/98/24/19/1081982419.db2.gz XVBCODHQGOYSII-UHFFFAOYSA-N -1 3 358.250 4.008 20 0 FIADHM C[C@@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001266625776 1082028099 /nfs/dbraw/zinc/02/80/99/1082028099.db2.gz MCNHTTQWNPRFIV-PIGZYNQJSA-N -1 3 351.343 4.496 20 0 FIADHM Cc1c([N-]S(=O)(=O)CCC(C)(C)C)cnn1-c1ccc(Cl)cc1 ZINC000580806393 1082148193 /nfs/dbraw/zinc/14/81/93/1082148193.db2.gz MIVUEWUXKJLVNA-UHFFFAOYSA-N -1 3 355.891 4.012 20 0 FIADHM CCOc1cc(CN2CCCC[C@@H]2c2noc(CC)n2)cc(Cl)c1[O-] ZINC000656422729 1082369704 /nfs/dbraw/zinc/36/97/04/1082369704.db2.gz SZKKJXLHHJMZIO-CQSZACIVSA-N -1 3 365.861 4.117 20 0 FIADHM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000581255782 1082412102 /nfs/dbraw/zinc/41/21/02/1082412102.db2.gz IIQOABPKLBEESQ-SJKOYZFVSA-N -1 3 351.780 4.233 20 0 FIADHM O=C(NCCCCOc1ccc(F)cc1)c1cc([O-])c2ccccc2c1 ZINC000581258562 1082412437 /nfs/dbraw/zinc/41/24/37/1082412437.db2.gz POUAFHZHOOFZGJ-UHFFFAOYSA-N -1 3 353.393 4.274 20 0 FIADHM CCc1ccc([C@H]2C[C@H](C)CCN2CCOc2cccc(C(=O)[O-])c2)o1 ZINC000581374981 1082501801 /nfs/dbraw/zinc/50/18/01/1082501801.db2.gz KKIAWHVGWCGLQR-DNVCBOLYSA-N -1 3 357.450 4.392 20 0 FIADHM O=C(NCc1ncccc1[O-])Nc1cccc(Sc2ccccc2)c1 ZINC000684227830 1082536405 /nfs/dbraw/zinc/53/64/05/1082536405.db2.gz IEEGQGTZAYATOQ-UHFFFAOYSA-N -1 3 351.431 4.260 20 0 FIADHM O=C(NCc1ncccc1[O-])N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000471655055 1082562002 /nfs/dbraw/zinc/56/20/02/1082562002.db2.gz GCCDIHPKBNXOSX-IBGZPJMESA-N -1 3 367.836 4.029 20 0 FIADHM Cc1ccc(-c2nc(CN[C@H]3C[C@@H](CCC(=O)[O-])C3(C)C)cs2)cc1 ZINC000656568833 1082589146 /nfs/dbraw/zinc/58/91/46/1082589146.db2.gz PZQDWVHBHLHFDX-WBVHZDCISA-N -1 3 358.507 4.488 20 0 FIADHM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1NCc1csc(-c2ccsc2)n1 ZINC000656568967 1082589211 /nfs/dbraw/zinc/58/92/11/1082589211.db2.gz UIGQMSUHYRRGRL-OCCSQVGLSA-N -1 3 350.509 4.241 20 0 FIADHM O=C(Nc1cccc(COC2CCCCC2)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581497323 1082621457 /nfs/dbraw/zinc/62/14/57/1082621457.db2.gz ROXPKAMONGSFCV-UHFFFAOYSA-N -1 3 367.449 4.161 20 0 FIADHM O=C(Nc1cccc(OCc2ccccn2)c1)c1cc([O-])ccc1Cl ZINC000581503697 1082624063 /nfs/dbraw/zinc/62/40/63/1082624063.db2.gz YPLQOVVTDFJWLL-UHFFFAOYSA-N -1 3 354.793 4.272 20 0 FIADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(F)F)c1Cl)C1CCCC1 ZINC000656629928 1082646025 /nfs/dbraw/zinc/64/60/25/1082646025.db2.gz ZCQCBKTVHDVFHB-ZDUSSCGKSA-N -1 3 367.845 4.225 20 0 FIADHM CC(C)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nc2ccccc2[nH]1 ZINC000581576813 1082675215 /nfs/dbraw/zinc/67/52/15/1082675215.db2.gz YEKLBUBXKINSMM-QGZVFWFLSA-N -1 3 357.841 4.439 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C ZINC000581643679 1082738133 /nfs/dbraw/zinc/73/81/33/1082738133.db2.gz MHQQUNCESXGZHM-UHFFFAOYSA-N -1 3 372.446 4.158 20 0 FIADHM O=C([O-])[C@@H]1CCN(Cc2ccc(F)cc2Br)[C@@H]2CCCC[C@@H]12 ZINC000656765215 1082757757 /nfs/dbraw/zinc/75/77/57/1082757757.db2.gz MLXPBLLHBWZJQC-SQWLQELKSA-N -1 3 370.262 4.054 20 0 FIADHM COc1cccc([C@@]2(C)CCN(Cc3ccc(C(=O)[O-])c(Cl)c3)C2)c1 ZINC000656765030 1082757796 /nfs/dbraw/zinc/75/77/96/1082757796.db2.gz HXBUUEPJVYYBPH-FQEVSTJZSA-N -1 3 359.853 4.210 20 0 FIADHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000161045577 1082936510 /nfs/dbraw/zinc/93/65/10/1082936510.db2.gz MDQRMVJTHNZEBL-UHFFFAOYSA-N -1 3 358.246 4.305 20 0 FIADHM CCC[C@H](NC(=O)NCc1ncccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000471824074 1083062181 /nfs/dbraw/zinc/06/21/81/1083062181.db2.gz ZVKYQAMBUIXYTH-AWEZNQCLSA-N -1 3 367.371 4.147 20 0 FIADHM O=C(Nc1cccc(CSc2ccccn2)c1)c1c([O-])cccc1O ZINC000092120432 1083345117 /nfs/dbraw/zinc/34/51/17/1083345117.db2.gz SCTPUHZGLDQYNO-UHFFFAOYSA-N -1 3 352.415 4.037 20 0 FIADHM COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([O-])c1 ZINC000023548751 1083473062 /nfs/dbraw/zinc/47/30/62/1083473062.db2.gz YAHUVDCIYAAQCI-CYBMUJFWSA-N -1 3 368.458 4.030 20 0 FIADHM O=C(Nc1cc(Cl)ccc1[O-])c1sccc1NC(=O)c1ccncc1 ZINC000179459885 1083474433 /nfs/dbraw/zinc/47/44/33/1083474433.db2.gz VQKZJYCCPCWTRU-UHFFFAOYSA-N -1 3 373.821 4.007 20 0 FIADHM CCOc1c(Cl)cc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1OC ZINC000277035443 1083724627 /nfs/dbraw/zinc/72/46/27/1083724627.db2.gz QEHBXVCNNILVCQ-AWEZNQCLSA-N -1 3 369.870 4.114 20 0 FIADHM Cn1nc(C(F)F)c2cc(C(=O)Nc3cc(Cl)ccc3[O-])sc21 ZINC000472419826 1083732202 /nfs/dbraw/zinc/73/22/02/1083732202.db2.gz MTYXELOXEQPVAA-UHFFFAOYSA-N -1 3 357.769 4.184 20 0 FIADHM Cc1nc(CCCNCc2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC000277080533 1083737385 /nfs/dbraw/zinc/73/73/85/1083737385.db2.gz WOMAHKBJYCUHIN-UHFFFAOYSA-N -1 3 359.278 4.179 20 0 FIADHM Cc1sc(C(=O)[O-])cc1CN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000584475137 1083739354 /nfs/dbraw/zinc/73/93/54/1083739354.db2.gz VPRSSKHRIOVFPQ-UHFFFAOYSA-N -1 3 359.491 4.415 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3cccc4ccn(C)c43)cc2)cc(=O)[n-]1 ZINC000471988225 1083871766 /nfs/dbraw/zinc/87/17/66/1083871766.db2.gz IALQSMHABLLYHL-UHFFFAOYSA-N -1 3 373.416 4.293 20 0 FIADHM O=C([N-]c1ccc(Cl)c(F)c1)c1nc(CSCc2ccco2)no1 ZINC000570438852 1084135927 /nfs/dbraw/zinc/13/59/27/1084135927.db2.gz FJQGHZMVCITFEX-UHFFFAOYSA-N -1 3 367.789 4.141 20 0 FIADHM COc1cccc(CC2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)c1 ZINC000685824037 1084237639 /nfs/dbraw/zinc/23/76/39/1084237639.db2.gz KVWZOYDRFMSDJW-UHFFFAOYSA-N -1 3 359.853 4.149 20 0 FIADHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000548611498 1084288828 /nfs/dbraw/zinc/28/88/28/1084288828.db2.gz VROOXRXWYATYOM-UHFFFAOYSA-N -1 3 368.792 4.276 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1 ZINC000014230808 1084314617 /nfs/dbraw/zinc/31/46/17/1084314617.db2.gz MBBGFBUYRBPBAI-INIZCTEOSA-N -1 3 369.490 4.246 20 0 FIADHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ncsc2C(C)C)s1 ZINC000685840972 1084329184 /nfs/dbraw/zinc/32/91/84/1084329184.db2.gz TUXMFZKSMCYHBJ-UHFFFAOYSA-N -1 3 362.455 4.485 20 0 FIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000613158215 1084409567 /nfs/dbraw/zinc/40/95/67/1084409567.db2.gz CVGHPZDXNGLRIK-MRXNPFEDSA-N -1 3 359.495 4.212 20 0 FIADHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001211639017 1084488373 /nfs/dbraw/zinc/48/83/73/1084488373.db2.gz SWABZAXTKOINMI-DGCLKSJQSA-N -1 3 370.927 4.178 20 0 FIADHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nc(C(C)(C)C)cs1 ZINC000106893082 1084561378 /nfs/dbraw/zinc/56/13/78/1084561378.db2.gz NDYYYILLHVUJFT-MRVPVSSYSA-N -1 3 364.945 4.195 20 0 FIADHM COC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1Cl ZINC000472154288 1084574798 /nfs/dbraw/zinc/57/47/98/1084574798.db2.gz JZFALUKZWZLYNU-UHFFFAOYSA-N -1 3 355.777 4.238 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2sc(-c3cccs3)nc2C)c1[O-] ZINC000582078468 1084578131 /nfs/dbraw/zinc/57/81/31/1084578131.db2.gz LZOKZPXYWXOKDS-UHFFFAOYSA-N -1 3 358.444 4.341 20 0 FIADHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000431815718 1084656955 /nfs/dbraw/zinc/65/69/55/1084656955.db2.gz WZLREHZZTZOTPY-JTQLQIEISA-N -1 3 357.759 4.425 20 0 FIADHM O=c1[n-]c(CN2CCCCc3sccc32)nc2c3ccccc3oc21 ZINC000684772255 1084694512 /nfs/dbraw/zinc/69/45/12/1084694512.db2.gz DFQATYSGPXZYNI-UHFFFAOYSA-N -1 3 351.431 4.486 20 0 FIADHM O=C([N-]c1c(F)cc(Br)cc1F)c1csc(C2CC2)n1 ZINC000175251297 1084908585 /nfs/dbraw/zinc/90/85/85/1084908585.db2.gz RHNWLNRPVLZSRR-UHFFFAOYSA-N -1 3 359.195 4.314 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C(C)(C)C)c3O)c[n-]c12 ZINC000186397585 1085078453 /nfs/dbraw/zinc/07/84/53/1085078453.db2.gz DXCIMCUUZRWWFD-UHFFFAOYSA-N -1 3 368.408 4.231 20 0 FIADHM CC(C)Oc1ccc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c(F)c1 ZINC000073206100 1085181553 /nfs/dbraw/zinc/18/15/53/1085181553.db2.gz KJIGPQTXNVBDNI-UHFFFAOYSA-N -1 3 359.332 4.054 20 0 FIADHM COc1ccc(OC(C)C)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468864675 1085249060 /nfs/dbraw/zinc/24/90/60/1085249060.db2.gz HWFOARIZRBHQHU-UHFFFAOYSA-N -1 3 361.413 4.289 20 0 FIADHM COc1cccc(NC2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)c1 ZINC000077016747 1085596053 /nfs/dbraw/zinc/59/60/53/1085596053.db2.gz MTLXEGSQLZDDGY-UHFFFAOYSA-N -1 3 368.477 4.241 20 0 FIADHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc(C)ccc2o1 ZINC000125558311 1085815859 /nfs/dbraw/zinc/81/58/59/1085815859.db2.gz MAFUFHSOLJFUQT-HNNXBMFYSA-N -1 3 362.385 4.101 20 0 FIADHM CCc1cc(=O)[n-]c(CN2CCc3sccc3[C@H]2c2cccs2)n1 ZINC000468269799 1085838522 /nfs/dbraw/zinc/83/85/22/1085838522.db2.gz IDXQGJLJVAPYDN-SFHVURJKSA-N -1 3 357.504 4.015 20 0 FIADHM CCSc1nnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000431500177 1085848433 /nfs/dbraw/zinc/84/84/33/1085848433.db2.gz OVVXACLBCHVKFL-UHFFFAOYSA-N -1 3 352.243 4.348 20 0 FIADHM COc1ccc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)cc1OC ZINC000431505665 1085909598 /nfs/dbraw/zinc/90/95/98/1085909598.db2.gz DGBUVPNHOXCLMC-MRXNPFEDSA-N -1 3 361.825 4.040 20 0 FIADHM CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCC(F)(F)CC1 ZINC000643204052 1085938465 /nfs/dbraw/zinc/93/84/65/1085938465.db2.gz VLDITARUKWTJTA-UHFFFAOYSA-N -1 3 363.373 4.013 20 0 FIADHM CN(Cc1ccc(F)c(Cl)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000432266054 1085988701 /nfs/dbraw/zinc/98/87/01/1085988701.db2.gz XHDSFUHGAOKJBG-UHFFFAOYSA-N -1 3 353.796 4.305 20 0 FIADHM COc1cccc(C2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)c1 ZINC000652403767 1085997666 /nfs/dbraw/zinc/99/76/66/1085997666.db2.gz KCLMWQHCEBLKCX-UHFFFAOYSA-N -1 3 359.853 4.426 20 0 FIADHM COc1cccc(C2CCN(Cc3ccc(C(=O)[O-])c(Cl)c3)CC2)c1 ZINC000652403754 1085998287 /nfs/dbraw/zinc/99/82/87/1085998287.db2.gz IUEMTVLUJOCCQV-UHFFFAOYSA-N -1 3 359.853 4.426 20 0 FIADHM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000652416469 1086025477 /nfs/dbraw/zinc/02/54/77/1086025477.db2.gz HOPNASDZAPYFBT-HOTGVXAUSA-N -1 3 358.265 4.010 20 0 FIADHM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000652450672 1086071939 /nfs/dbraw/zinc/07/19/39/1086071939.db2.gz AJCZTJRYDQJNFQ-SJORKVTESA-N -1 3 369.509 4.403 20 0 FIADHM O=C([O-])CCC1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000662218700 1086346779 /nfs/dbraw/zinc/34/67/79/1086346779.db2.gz RYZKHEVXOQIEPH-UHFFFAOYSA-N -1 3 366.461 4.016 20 0 FIADHM COc1cccc(-c2nc(-c3ccc(N4CCCCC4)cc3)no2)c1[O-] ZINC000184875643 1086360482 /nfs/dbraw/zinc/36/04/82/1086360482.db2.gz QSPATJXGFHEWAN-UHFFFAOYSA-N -1 3 351.406 4.108 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000583212989 1086415479 /nfs/dbraw/zinc/41/54/79/1086415479.db2.gz VQDZKYMIDMKKTF-LJQANCHMSA-N -1 3 359.429 4.190 20 0 FIADHM CC(C)c1csc2nc(-c3ccnc(OCC(F)F)c3)[n-]c(=O)c12 ZINC000544046978 1086484300 /nfs/dbraw/zinc/48/43/00/1086484300.db2.gz UJRCBHOWBOWOMC-UHFFFAOYSA-N -1 3 351.378 4.226 20 0 FIADHM C[C@H]1CC[C@]2(CCN(Cc3ccc(C(=O)[O-])cc3Br)C2)C1 ZINC000583386954 1086635007 /nfs/dbraw/zinc/63/50/07/1086635007.db2.gz SWAZEMYQTNYNKT-SJCJKPOMSA-N -1 3 352.272 4.159 20 0 FIADHM COc1ccc(Br)cc1OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001167832296 1086657006 /nfs/dbraw/zinc/65/70/06/1086657006.db2.gz STTAJRZVZJRDSS-UHFFFAOYSA-N -1 3 365.010 4.312 20 0 FIADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000583508846 1086752085 /nfs/dbraw/zinc/75/20/85/1086752085.db2.gz WDNSDPPFTNFXFD-GOSISDBHSA-N -1 3 365.477 4.077 20 0 FIADHM CCOc1ccc(-c2nc(CSCc3nc(CC)cc(=O)[n-]3)co2)cc1 ZINC000448067560 1086764854 /nfs/dbraw/zinc/76/48/54/1086764854.db2.gz JOYRIQJFFMZWSD-UHFFFAOYSA-N -1 3 371.462 4.232 20 0 FIADHM CC1CCC(Oc2cc(CNCc3c(F)ccc([O-])c3F)ccn2)CC1 ZINC000512101604 1086766926 /nfs/dbraw/zinc/76/69/26/1086766926.db2.gz UDHFTFFPLIPCHN-UHFFFAOYSA-N -1 3 362.420 4.313 20 0 FIADHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000512142493 1086826335 /nfs/dbraw/zinc/82/63/35/1086826335.db2.gz LIWWPGJTHUZLAG-UHFFFAOYSA-N -1 3 356.403 4.059 20 0 FIADHM Cc1ccc(NC(=S)N[N-]C(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000006572731 1086845835 /nfs/dbraw/zinc/84/58/35/1086845835.db2.gz QJKFTYDQVJVBLQ-UHFFFAOYSA-N -1 3 368.289 4.242 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cnccc3OC(C)(C)C)c[n-]c12 ZINC000278394049 1086937969 /nfs/dbraw/zinc/93/79/69/1086937969.db2.gz NZKUQMQUWFJMED-UHFFFAOYSA-N -1 3 369.396 4.213 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC(C)(C)[C@@H]3C(C)C)cc2)cc(=O)[n-]1 ZINC000583865064 1086999246 /nfs/dbraw/zinc/99/92/46/1086999246.db2.gz YVEOUPJESPHGBC-SFHVURJKSA-N -1 3 354.454 4.056 20 0 FIADHM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cc(F)ccc1[O-] ZINC000531133656 1087091639 /nfs/dbraw/zinc/09/16/39/1087091639.db2.gz PXWJRRDIEBISAV-ZDUSSCGKSA-N -1 3 366.392 4.328 20 0 FIADHM C[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000151607169 1087172947 /nfs/dbraw/zinc/17/29/47/1087172947.db2.gz CZDSBEWCXVBJRQ-NSHDSACASA-N -1 3 366.230 4.104 20 0 FIADHM COc1cc(C(=O)N[C@@H](C)c2ccc(F)c3ccccc32)cc(OC)c1[O-] ZINC000584134498 1087187225 /nfs/dbraw/zinc/18/72/25/1087187225.db2.gz OMJWPFOVKMCEOS-LBPRGKRZSA-N -1 3 369.392 4.193 20 0 FIADHM O=C(c1c[n-]c2ccccc2c1=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000082973211 1087335384 /nfs/dbraw/zinc/33/53/84/1087335384.db2.gz JSDWZEHDFTUXPY-UHFFFAOYSA-N -1 3 364.832 4.111 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000092125719 1087438879 /nfs/dbraw/zinc/43/88/79/1087438879.db2.gz AYXCFLOUFLAHJG-UHFFFAOYSA-N -1 3 363.866 4.148 20 0 FIADHM CC(C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000728591434 1087440693 /nfs/dbraw/zinc/44/06/93/1087440693.db2.gz AOIKUDGPNODFEK-UHFFFAOYSA-N -1 3 368.282 4.408 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nnc(SCc3cccs3)s2)s1 ZINC000139802755 1087477181 /nfs/dbraw/zinc/47/71/81/1087477181.db2.gz FHCPJJOFPUHWHY-UHFFFAOYSA-N -1 3 368.534 4.163 20 0 FIADHM COc1cc(C(=O)[N-]c2ccc(Br)c(Cl)c2Cl)on1 ZINC000183636140 1087667401 /nfs/dbraw/zinc/66/74/01/1087667401.db2.gz QMWYJUQPSXGMCF-UHFFFAOYSA-N -1 3 365.998 4.005 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)NCc3ccc(Cl)s3)cc2)cc(=O)[n-]1 ZINC000504794789 1087863721 /nfs/dbraw/zinc/86/37/21/1087863721.db2.gz RIIPYWOQWQMXRG-UHFFFAOYSA-N -1 3 374.853 4.194 20 0 FIADHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(F)cc2)CCC3)on1 ZINC000511508299 1087879050 /nfs/dbraw/zinc/87/90/50/1087879050.db2.gz RMBVFZWBKQHDSQ-UHFFFAOYSA-N -1 3 370.405 4.156 20 0 FIADHM COc1cccc(-c2nc(CN3CCCC[C@@H]3CCC(=O)[O-])cs2)c1 ZINC000424258793 1087879414 /nfs/dbraw/zinc/87/94/14/1087879414.db2.gz MDLMAVOPHMZBFB-MRXNPFEDSA-N -1 3 360.479 4.038 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)Cc2ccccc2C)c(C(F)(F)F)c1 ZINC000186606986 1087942705 /nfs/dbraw/zinc/94/27/05/1087942705.db2.gz YCWQYFOBWBJGSI-UHFFFAOYSA-N -1 3 373.396 4.354 20 0 FIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1nc(-c2cnn(C)c2)oc1C ZINC000176988645 1088172971 /nfs/dbraw/zinc/17/29/71/1088172971.db2.gz YXYJZHFIXMMSBM-UHFFFAOYSA-N -1 3 362.842 4.011 20 0 FIADHM O=C1CCc2c1c(-c1noc(C=C([O-])c3ccccc3Cl)n1)ccc2F ZINC001211646909 1088747227 /nfs/dbraw/zinc/74/72/27/1088747227.db2.gz CARPNCXFJXVWRV-UHFFFAOYSA-N -1 3 370.767 4.083 20 0 FIADHM Cc1c2cccc(-c3noc(C=C([O-])c4ccccc4Cl)n3)c2nn1C ZINC001211647363 1088766505 /nfs/dbraw/zinc/76/65/05/1088766505.db2.gz LYDAHKQOEGCQHU-UHFFFAOYSA-N -1 3 366.808 4.011 20 0 FIADHM [O-]C(=Cc1nc(-c2cccc(-n3cccn3)c2)no1)c1ccccc1Cl ZINC001211647604 1088784712 /nfs/dbraw/zinc/78/47/12/1088784712.db2.gz YGISQSYECBAENS-UHFFFAOYSA-N -1 3 364.792 4.001 20 0 FIADHM CCN(Cc1csc(-c2ccc(OC)cc2)n1)C1CCC(C(=O)[O-])CC1 ZINC000659791990 1088863476 /nfs/dbraw/zinc/86/34/76/1088863476.db2.gz CTLZXPRUWLTWKD-UHFFFAOYSA-N -1 3 374.506 4.284 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2cccc(Cl)c2F)C[C@H]1c1ccc(Cl)cc1 ZINC000659797813 1088880485 /nfs/dbraw/zinc/88/04/85/1088880485.db2.gz PLGYDGOQFQADKW-LSDHHAIUSA-N -1 3 368.235 4.433 20 0 FIADHM Cc1ccccc1Nc1nc(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cs1 ZINC000659799626 1088882694 /nfs/dbraw/zinc/88/26/94/1088882694.db2.gz KMDILUOPLJXPJY-YWZLYKJASA-N -1 3 371.506 4.272 20 0 FIADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659804984 1088893990 /nfs/dbraw/zinc/89/39/90/1088893990.db2.gz JMQIEHUKZICJMW-NXHRZFHOSA-N -1 3 370.276 4.012 20 0 FIADHM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000659805550 1088896069 /nfs/dbraw/zinc/89/60/69/1088896069.db2.gz URDKWEAJDAZTMA-RYQLBKOJSA-N -1 3 370.276 4.012 20 0 FIADHM CCCN(C(=O)c1cc(SC)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000613626608 1088974689 /nfs/dbraw/zinc/97/46/89/1088974689.db2.gz LOLTUJYZERQAKN-KRWDZBQOSA-N -1 3 356.491 4.439 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H](C4CCC4)C3)cc2)cc(=O)[n-]1 ZINC000664441519 1089002124 /nfs/dbraw/zinc/00/21/24/1089002124.db2.gz NBMCUCQFCAGJAV-QGZVFWFLSA-N -1 3 366.465 4.202 20 0 FIADHM COc1ccc(-c2nsc([N-]C(=O)c3scc(C)c3Cl)n2)cc1 ZINC000514768171 1089450873 /nfs/dbraw/zinc/45/08/73/1089450873.db2.gz SKWJVUCWOWEAPL-UHFFFAOYSA-N -1 3 365.867 4.489 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(-n2cccc2)c1 ZINC000514820272 1089498789 /nfs/dbraw/zinc/49/87/89/1089498789.db2.gz FLJAYPYHRRZDAS-UHFFFAOYSA-N -1 3 357.207 4.198 20 0 FIADHM CC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000515078281 1089758129 /nfs/dbraw/zinc/75/81/29/1089758129.db2.gz LUVSAUCGZKCFOP-UHFFFAOYSA-N -1 3 364.239 4.296 20 0 FIADHM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@H](c2cccnc2)C1 ZINC000565310361 1089789140 /nfs/dbraw/zinc/78/91/40/1089789140.db2.gz VJXMEVRHDJAGIZ-BLLLJJGKSA-N -1 3 351.233 4.004 20 0 FIADHM CCCCCc1nnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000468654632 1090259891 /nfs/dbraw/zinc/25/98/91/1090259891.db2.gz ZVVTXECDQMRQIR-UHFFFAOYSA-N -1 3 351.447 4.077 20 0 FIADHM O=C(Nc1ccc(Br)cc1[O-])c1cc(-c2ccccc2)no1 ZINC000613705904 1090374921 /nfs/dbraw/zinc/37/49/21/1090374921.db2.gz UUSGKCRIWFYIPA-UHFFFAOYSA-N -1 3 359.179 4.062 20 0 FIADHM COc1ccc(-c2csc3[n-]c(CC(F)(F)F)nc(=O)c23)cc1OC ZINC000416416619 1090381480 /nfs/dbraw/zinc/38/14/80/1090381480.db2.gz VXXXHIWOELEWAN-UHFFFAOYSA-N -1 3 370.352 4.186 20 0 FIADHM Cc1cc(F)c(CNC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(Cl)c1 ZINC000417550902 1090922297 /nfs/dbraw/zinc/92/22/97/1090922297.db2.gz XNCNGRADOXJMGH-CYBMUJFWSA-N -1 3 370.251 4.474 20 0 FIADHM COc1cccc(Cl)c1CNC[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000417549665 1090922369 /nfs/dbraw/zinc/92/23/69/1090922369.db2.gz UJOGYZGKPXIRNU-CYBMUJFWSA-N -1 3 368.260 4.035 20 0 FIADHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C3CCC3)cc2)cc1OC ZINC000417557440 1090924632 /nfs/dbraw/zinc/92/46/32/1090924632.db2.gz RNAYJNNCIFCSFL-IBGZPJMESA-N -1 3 369.461 4.277 20 0 FIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cs1 ZINC000417558367 1090924814 /nfs/dbraw/zinc/92/48/14/1090924814.db2.gz UZHNBIUFHMYXKQ-AWEZNQCLSA-N -1 3 354.269 4.125 20 0 FIADHM Cc1ccc(C[C@H](CNCc2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000417576515 1090930166 /nfs/dbraw/zinc/93/01/66/1090930166.db2.gz ZNPKMIHCUIHWGE-CYBMUJFWSA-N -1 3 358.290 4.396 20 0 FIADHM O=C([O-])C[C@H](NCc1csc(C2CC2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000417577068 1090930382 /nfs/dbraw/zinc/93/03/82/1090930382.db2.gz LHXKIYZPGKOAOV-UTNBAMHJSA-N -1 3 360.523 4.170 20 0 FIADHM O=C([O-])CC[C@H](NCc1ccc(OC(F)F)c(F)c1)c1ccccc1 ZINC000417589327 1090934646 /nfs/dbraw/zinc/93/46/46/1090934646.db2.gz ABJQUKFQFQKPDG-HNNXBMFYSA-N -1 3 353.340 4.123 20 0 FIADHM C[C@H](CNCc1c(Cl)cccc1OCc1ccccc1Cl)C(=O)[O-] ZINC000417593496 1090935107 /nfs/dbraw/zinc/93/51/07/1090935107.db2.gz ZEHCHUIFYVWWQN-GFCCVEGCSA-N -1 3 368.260 4.383 20 0 FIADHM CC(C)=CCSC[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000417604009 1090936626 /nfs/dbraw/zinc/93/66/26/1090936626.db2.gz ARBWUKNZDUZZSG-AWEZNQCLSA-N -1 3 353.871 4.328 20 0 FIADHM O=C([O-])CC[C@H]1CCCC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000417622712 1090941947 /nfs/dbraw/zinc/94/19/47/1090941947.db2.gz IONVXHOXSQWLRI-QAPCUYQASA-N -1 3 374.506 4.235 20 0 FIADHM Cc1ccc(-c2ncc(CN[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)s2)o1 ZINC000417615650 1090944249 /nfs/dbraw/zinc/94/42/49/1090944249.db2.gz ACEOCCCWQURNEH-CVEARBPZSA-N -1 3 354.431 4.114 20 0 FIADHM O=C([O-])[C@@H]1C=C[C@@H](NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000417626514 1090948166 /nfs/dbraw/zinc/94/81/66/1090948166.db2.gz SYOHGGUEEXBWRU-TZMCWYRMSA-N -1 3 351.324 4.084 20 0 FIADHM Cc1ccc(C[C@@H](NCc2csc(Cl)c2Cl)C(=O)[O-])cc1C ZINC000417654586 1090955378 /nfs/dbraw/zinc/95/53/78/1090955378.db2.gz RUSVZADGBRUPEF-CYBMUJFWSA-N -1 3 358.290 4.457 20 0 FIADHM O=C([O-])C[C@H](CCNCc1cc(Cl)sc1Cl)C(F)(F)F ZINC000417665167 1090957622 /nfs/dbraw/zinc/95/76/22/1090957622.db2.gz ZYFKEGOFEVIZAL-ZETCQYMHSA-N -1 3 350.189 4.188 20 0 FIADHM Cc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)sc1Br ZINC000417674266 1090959425 /nfs/dbraw/zinc/95/94/25/1090959425.db2.gz YIUWQGLJINWDHV-UHFFFAOYSA-N -1 3 354.269 4.115 20 0 FIADHM O=S(=O)([N-]C1CC(c2ccccc2)C1)c1cccc(Cl)c1Cl ZINC001211653919 1090979061 /nfs/dbraw/zinc/97/90/61/1090979061.db2.gz ORWSKZUPZJBQJZ-UHFFFAOYSA-N -1 3 356.274 4.218 20 0 FIADHM Cc1nc2ccc(NCc3cc(=O)oc4c(C)c([O-])ccc34)cc2s1 ZINC000025425938 1091177222 /nfs/dbraw/zinc/17/72/22/1091177222.db2.gz RUYNGBKULHLJKX-UHFFFAOYSA-N -1 3 352.415 4.337 20 0 FIADHM Cc1nc([C@H](C)N2CC[C@H](C)[C@H](C(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000582122052 1091269043 /nfs/dbraw/zinc/26/90/43/1091269043.db2.gz XJNXASAGQSSVQB-DETPVDSQSA-N -1 3 362.857 4.407 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C ZINC000511686663 1091541066 /nfs/dbraw/zinc/54/10/66/1091541066.db2.gz HTWFWJBQDWTUGA-UHFFFAOYSA-N -1 3 363.479 4.038 20 0 FIADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1Oc1cccnc1 ZINC000511715051 1091569915 /nfs/dbraw/zinc/56/99/15/1091569915.db2.gz LQKJLEFJQDGMJS-UHFFFAOYSA-N -1 3 372.421 4.431 20 0 FIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000432141252 1091728672 /nfs/dbraw/zinc/72/86/72/1091728672.db2.gz CUQJMILRNJXZOU-UHFFFAOYSA-N -1 3 350.403 4.354 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(C)c1 ZINC000047454496 1091732246 /nfs/dbraw/zinc/73/22/46/1091732246.db2.gz ZOGRVUUKFPDDHL-UHFFFAOYSA-N -1 3 372.446 4.131 20 0 FIADHM Cc1oc(-c2ccccc2)nc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000512362828 1092162265 /nfs/dbraw/zinc/16/22/65/1092162265.db2.gz MMHOENKRLLWPRL-UHFFFAOYSA-N -1 3 358.401 4.023 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2[nH]c3ccccc3c2Cl)[nH][n-]1 ZINC000512363335 1092162413 /nfs/dbraw/zinc/16/24/13/1092162413.db2.gz REDJQSLALRABMD-UHFFFAOYSA-N -1 3 350.809 4.194 20 0 FIADHM O=c1ccnc(C(=Cc2ncc(C(F)(F)F)s2)Cc2ccccc2)[n-]1 ZINC000432710649 1092168826 /nfs/dbraw/zinc/16/88/26/1092168826.db2.gz UOJQTUVSBGIEQM-XFXZXTDPSA-N -1 3 363.364 4.441 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2CCC(c3ccccc3)CC2)c1 ZINC000520820224 1092294430 /nfs/dbraw/zinc/29/44/30/1092294430.db2.gz GQWHLIGKSQISME-UHFFFAOYSA-N -1 3 366.461 4.054 20 0 FIADHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1nc(C)cs1 ZINC000429820450 1092322153 /nfs/dbraw/zinc/32/21/53/1092322153.db2.gz AWPHNKQZHGYVLC-NSHDSACASA-N -1 3 365.307 4.188 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](c4ccccc4)C3)cc2)cc(=O)[n-]1 ZINC000521199965 1092577139 /nfs/dbraw/zinc/57/71/39/1092577139.db2.gz UEEAANPXSUECNV-SFHVURJKSA-N -1 3 374.444 4.179 20 0 FIADHM [O-]c1ccccc1-c1nc(C2(c3cccc(Br)c3)CC2)no1 ZINC000442679301 1092720847 /nfs/dbraw/zinc/72/08/47/1092720847.db2.gz LPUXMJVZGTWZPR-UHFFFAOYSA-N -1 3 357.207 4.285 20 0 FIADHM CCc1nnc([C@@H](C)Sc2nnc([N-]c3ccccc3F)s2)o1 ZINC000110134407 1092764597 /nfs/dbraw/zinc/76/45/97/1092764597.db2.gz OTPARKNTPPTDLU-MRVPVSSYSA-N -1 3 351.432 4.220 20 0 FIADHM COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000084742505 1092890629 /nfs/dbraw/zinc/89/06/29/1092890629.db2.gz UZOQVBRJAISYJT-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3ccc4ccn(C)c4c3)cc2)cc(=O)[n-]1 ZINC000443160814 1092963643 /nfs/dbraw/zinc/96/36/43/1092963643.db2.gz ZTAQVTWBZAENPU-UHFFFAOYSA-N -1 3 373.416 4.293 20 0 FIADHM O=C(c1ccc(NCc2cc([O-])cc(F)c2)cc1Cl)N1CCCCC1 ZINC000522008139 1093033138 /nfs/dbraw/zinc/03/31/38/1093033138.db2.gz NDNCPRDSYWCHHQ-UHFFFAOYSA-N -1 3 362.832 4.423 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCC1(c2ccccc2Cl)CC1 ZINC000468989391 1093055802 /nfs/dbraw/zinc/05/58/02/1093055802.db2.gz NCZTYSLUJOJLMV-UHFFFAOYSA-N -1 3 361.844 4.355 20 0 FIADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000443416540 1093111169 /nfs/dbraw/zinc/11/11/69/1093111169.db2.gz NERLMGCZXZUJKW-UHFFFAOYSA-N -1 3 373.305 4.477 20 0 FIADHM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000443412190 1093114045 /nfs/dbraw/zinc/11/40/45/1093114045.db2.gz AIUNJPHROFJYSM-UHFFFAOYSA-N -1 3 372.412 4.189 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000729537265 1093184688 /nfs/dbraw/zinc/18/46/88/1093184688.db2.gz BEAGRPPOGVKPLZ-UHFFFAOYSA-N -1 3 358.394 4.000 20 0 FIADHM O=C([O-])CCC1CCN(CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000665341849 1093200907 /nfs/dbraw/zinc/20/09/07/1093200907.db2.gz HNLDTWOULHGTRG-UHFFFAOYSA-N -1 3 370.276 4.346 20 0 FIADHM COc1cc(Br)ccc1CNCc1cccc([O-])c1Cl ZINC000645172568 1093357813 /nfs/dbraw/zinc/35/78/13/1093357813.db2.gz KOJBCEKZFNJSFN-UHFFFAOYSA-N -1 3 356.647 4.107 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCOc3c(Br)cccc32)c1Cl ZINC000645177982 1093370869 /nfs/dbraw/zinc/37/08/69/1093370869.db2.gz TXKAMJFGZKDMAV-CYBMUJFWSA-N -1 3 368.658 4.422 20 0 FIADHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509815915 1093426071 /nfs/dbraw/zinc/42/60/71/1093426071.db2.gz CHPIWCAVWUFPEA-NSHDSACASA-N -1 3 351.374 4.059 20 0 FIADHM CCCN(C(=O)c1cc([O-])ccc1Cl)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000512858594 1093458849 /nfs/dbraw/zinc/45/88/49/1093458849.db2.gz XPCIFYJUDNWMGH-AWEZNQCLSA-N -1 3 374.868 4.315 20 0 FIADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2nnc(-c3ccsc3)s2)s1 ZINC000114245903 1093544794 /nfs/dbraw/zinc/54/47/94/1093544794.db2.gz LXHWWUPUMAZSEQ-UHFFFAOYSA-N -1 3 373.431 4.490 20 0 FIADHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000433371338 1093628894 /nfs/dbraw/zinc/62/88/94/1093628894.db2.gz LDYPULXNWQEQCR-AWEZNQCLSA-N -1 3 350.871 4.214 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000433386643 1093664176 /nfs/dbraw/zinc/66/41/76/1093664176.db2.gz DTCDLVPVBLEZKU-LLVKDONJSA-N -1 3 369.284 4.158 20 0 FIADHM CCOc1cc(CNc2cccc([S@](C)(=O)=NC)c2)cc(Cl)c1[O-] ZINC000895732755 1093686807 /nfs/dbraw/zinc/68/68/07/1093686807.db2.gz ANRGOJLQFMQAJE-DEOSSOPVSA-N -1 3 368.886 4.143 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1ccco1 ZINC001211829812 1093877438 /nfs/dbraw/zinc/87/74/38/1093877438.db2.gz SQOXOPKOIOPQDG-HZPDHXFCSA-N -1 3 353.871 4.328 20 0 FIADHM Cc1cc(-c2noc([C@H](C)NCc3c(F)ccc([O-])c3F)n2)ccc1F ZINC000513166773 1093971517 /nfs/dbraw/zinc/97/15/17/1093971517.db2.gz MQSGDMKNGCTGSU-JTQLQIEISA-N -1 3 363.339 4.019 20 0 FIADHM CCc1ccc([O-])c(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1 ZINC000513354339 1094075188 /nfs/dbraw/zinc/07/51/88/1094075188.db2.gz QRSVDMKXFKXCRB-UHFFFAOYSA-N -1 3 364.445 4.314 20 0 FIADHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c(C)c1 ZINC000513389811 1094093197 /nfs/dbraw/zinc/09/31/97/1094093197.db2.gz KUKYJZNJBOQYJF-UHFFFAOYSA-N -1 3 371.405 4.104 20 0 FIADHM O=C(c1ccc(NCc2c(F)ccc([O-])c2F)cc1)N1CCCCCC1 ZINC000513435277 1094120947 /nfs/dbraw/zinc/12/09/47/1094120947.db2.gz SDFXJCKTOSBMCE-UHFFFAOYSA-N -1 3 360.404 4.299 20 0 FIADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1cc([O-])cc(F)c1 ZINC000513594512 1094229180 /nfs/dbraw/zinc/22/91/80/1094229180.db2.gz AHAGGYGYBPSJDL-OAHLLOKOSA-N -1 3 356.441 4.466 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ncoc1-c1ccc(F)cc1 ZINC000474514765 1094287235 /nfs/dbraw/zinc/28/72/35/1094287235.db2.gz DPSYQBJLXFVTQU-UHFFFAOYSA-N -1 3 366.270 4.457 20 0 FIADHM CO[C@]1(C)CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000280651912 1094381070 /nfs/dbraw/zinc/38/10/70/1094381070.db2.gz ZFKGFGYYMNIYDE-LJQANCHMSA-N -1 3 373.478 4.048 20 0 FIADHM CCOc1cc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc(Cl)c1[O-] ZINC000007336131 1094665529 /nfs/dbraw/zinc/66/55/29/1094665529.db2.gz DCACKXBFRHDRLN-GQCTYLIASA-N -1 3 350.773 4.488 20 0 FIADHM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000474872122 1094805947 /nfs/dbraw/zinc/80/59/47/1094805947.db2.gz IMXZWKFJNYBWRN-KGLIPLIRSA-N -1 3 368.864 4.446 20 0 FIADHM O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1ccc2c(c1)COC2 ZINC000522528462 1095100087 /nfs/dbraw/zinc/10/00/87/1095100087.db2.gz AXHCVRQUOGLHNY-UHFFFAOYSA-N -1 3 373.474 4.229 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)s1 ZINC000443985264 1095579610 /nfs/dbraw/zinc/57/96/10/1095579610.db2.gz JXFBDTANQYIVEN-CYBMUJFWSA-N -1 3 363.426 4.337 20 0 FIADHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000502646261 1095668715 /nfs/dbraw/zinc/66/87/15/1095668715.db2.gz GOHQRTFLZSZGOT-QWRGUYRKSA-N -1 3 363.204 4.114 20 0 FIADHM O=C([N-]c1nnc(-c2ccco2)s1)c1cnccc1Oc1ccccc1 ZINC000503166255 1096102363 /nfs/dbraw/zinc/10/23/63/1096102363.db2.gz BZNOYBOUGYEMAA-UHFFFAOYSA-N -1 3 364.386 4.238 20 0 FIADHM C[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCO1 ZINC000271983362 1096145927 /nfs/dbraw/zinc/14/59/27/1096145927.db2.gz ZJXGHZSFSQXFRH-STQMWFEESA-N -1 3 368.458 4.423 20 0 FIADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1scnc1C1CCCC1 ZINC000273609264 1096277952 /nfs/dbraw/zinc/27/79/52/1096277952.db2.gz NWRSEWNLOFHBNF-UHFFFAOYSA-N -1 3 362.402 4.009 20 0 FIADHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1csc2ccccc12 ZINC000509975218 1096661889 /nfs/dbraw/zinc/66/18/89/1096661889.db2.gz HRSFRSJLTFPUGJ-UHFFFAOYSA-N -1 3 373.455 4.135 20 0 FIADHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000504400323 1096765474 /nfs/dbraw/zinc/76/54/74/1096765474.db2.gz XXTPLHLOTCZTHH-UHFFFAOYSA-N -1 3 374.366 4.407 20 0 FIADHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000504400323 1096765481 /nfs/dbraw/zinc/76/54/81/1096765481.db2.gz XXTPLHLOTCZTHH-UHFFFAOYSA-N -1 3 374.366 4.407 20 0 FIADHM CCc1onc(C)c1[N-]C(=O)c1ccc(Br)c(Cl)c1F ZINC000436040305 1098667232 /nfs/dbraw/zinc/66/72/32/1098667232.db2.gz QUHIAGGRUOEXMB-UHFFFAOYSA-N -1 3 361.598 4.353 20 0 FIADHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C ZINC000515697582 1098859949 /nfs/dbraw/zinc/85/99/49/1098859949.db2.gz WJTDKDZNBIBGOX-UHFFFAOYSA-N -1 3 363.479 4.208 20 0 FIADHM O=c1nc(CSC[C@@H]2CCCOC2)[n-]c2scc(-c3ccco3)c21 ZINC000533201123 1098876894 /nfs/dbraw/zinc/87/68/94/1098876894.db2.gz ZHXLHYOMAPLHCW-LLVKDONJSA-N -1 3 362.476 4.317 20 0 FIADHM CC(=O)Nc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1C(F)(F)F ZINC000436509651 1099071078 /nfs/dbraw/zinc/07/10/78/1099071078.db2.gz SCKPSNPJMOXIDI-UHFFFAOYSA-N -1 3 363.295 4.086 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1[O-] ZINC000436524511 1099081591 /nfs/dbraw/zinc/08/15/91/1099081591.db2.gz ISTZKDTXLKGCAV-UHFFFAOYSA-N -1 3 370.405 4.418 20 0 FIADHM CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000436547983 1099093345 /nfs/dbraw/zinc/09/33/45/1099093345.db2.gz LAECDZTXMSNXRR-KRWDZBQOSA-N -1 3 370.880 4.021 20 0 FIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c1 ZINC000436548073 1099095440 /nfs/dbraw/zinc/09/54/40/1099095440.db2.gz LWGDKGUBZSUYGA-HNNXBMFYSA-N -1 3 366.461 4.133 20 0 FIADHM CN1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])c2ccccc21 ZINC000436555534 1099101164 /nfs/dbraw/zinc/10/11/64/1099101164.db2.gz LACFRIAYMFTIDQ-UHFFFAOYSA-N -1 3 374.440 4.068 20 0 FIADHM CC(=O)c1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1[O-] ZINC000436568841 1099120047 /nfs/dbraw/zinc/12/00/47/1099120047.db2.gz ZYGQIOVMVZTDBH-UHFFFAOYSA-N -1 3 374.368 4.249 20 0 FIADHM CCCCOC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436573513 1099123109 /nfs/dbraw/zinc/12/31/09/1099123109.db2.gz IFNGWCBZZIWSRO-UHFFFAOYSA-N -1 3 367.489 4.404 20 0 FIADHM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436614190 1099149347 /nfs/dbraw/zinc/14/93/47/1099149347.db2.gz ZQIDOGMYECIXBO-DLBZAZTESA-N -1 3 369.461 4.340 20 0 FIADHM COc1ccc(-c2ccc(C)c(NC(=O)c3cccc(OC)c3[O-])c2)cn1 ZINC000436633358 1099161881 /nfs/dbraw/zinc/16/18/81/1099161881.db2.gz YXNYHUCJQFWEEC-UHFFFAOYSA-N -1 3 364.401 4.032 20 0 FIADHM CC(C)c1nc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc2s1 ZINC000516086698 1099166403 /nfs/dbraw/zinc/16/64/03/1099166403.db2.gz UJVXKLCRANITRG-UHFFFAOYSA-N -1 3 354.435 4.045 20 0 FIADHM COc1cccc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000436646054 1099187086 /nfs/dbraw/zinc/18/70/86/1099187086.db2.gz FAAKLCRFSJALDM-UHFFFAOYSA-N -1 3 365.351 4.476 20 0 FIADHM Cc1nc(-c2ccc([C@@H](C)NC(=O)c3c([O-])cccc3O)cc2)cs1 ZINC000436646200 1099189201 /nfs/dbraw/zinc/18/92/01/1099189201.db2.gz GQMWNESODLCRHK-LLVKDONJSA-N -1 3 354.431 4.021 20 0 FIADHM Cc1ccc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c([O-])c1 ZINC000436648608 1099191132 /nfs/dbraw/zinc/19/11/32/1099191132.db2.gz OSIKSTSBIGAIFX-OAHLLOKOSA-N -1 3 359.853 4.285 20 0 FIADHM [O-]c1ccccc1-c1nc(-c2ccc3nc(-c4cscn4)[nH]c3c2)no1 ZINC000436660220 1099208292 /nfs/dbraw/zinc/20/82/92/1099208292.db2.gz RRJAPTSTHFHHNQ-UHFFFAOYSA-N -1 3 361.386 4.109 20 0 FIADHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC000436683297 1099217774 /nfs/dbraw/zinc/21/77/74/1099217774.db2.gz TXHFIFBASYBJJA-LJQANCHMSA-N -1 3 359.853 4.383 20 0 FIADHM COc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000436708594 1099225999 /nfs/dbraw/zinc/22/59/99/1099225999.db2.gz SGAWVJKUMSRNCS-MISYRCLQSA-N -1 3 351.446 4.199 20 0 FIADHM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436707560 1099239909 /nfs/dbraw/zinc/23/99/09/1099239909.db2.gz SMOSLBRROUFIKQ-UHFFFAOYSA-N -1 3 370.412 4.020 20 0 FIADHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000436711491 1099243763 /nfs/dbraw/zinc/24/37/63/1099243763.db2.gz IPCMHVBKWUGOFP-CYBMUJFWSA-N -1 3 365.351 4.136 20 0 FIADHM O=C(c1ccccc1[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000436719662 1099251220 /nfs/dbraw/zinc/25/12/20/1099251220.db2.gz PIPRGMIRELAWGN-MRXNPFEDSA-N -1 3 370.207 4.052 20 0 FIADHM O=C(c1ccccc1[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000436719660 1099252434 /nfs/dbraw/zinc/25/24/34/1099252434.db2.gz PIPRGMIRELAWGN-INIZCTEOSA-N -1 3 370.207 4.052 20 0 FIADHM C[C@H]1CSCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436731205 1099270193 /nfs/dbraw/zinc/27/01/93/1099270193.db2.gz BAYVRLRFIJFOHS-MRXNPFEDSA-N -1 3 355.503 4.003 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)c(C)c1 ZINC000614867310 1099273034 /nfs/dbraw/zinc/27/30/34/1099273034.db2.gz KEUZRYYWAJVQED-UHFFFAOYSA-N -1 3 371.458 4.356 20 0 FIADHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436752462 1099288435 /nfs/dbraw/zinc/28/84/35/1099288435.db2.gz AVTFRUORBMDIRL-UHFFFAOYSA-N -1 3 368.477 4.315 20 0 FIADHM CC1(C)Cc2ccc(C(=O)N3CCCSc4ccccc43)c([O-])c2O1 ZINC000436754785 1099289817 /nfs/dbraw/zinc/28/98/17/1099289817.db2.gz JSDUFHKJZKGESI-UHFFFAOYSA-N -1 3 355.459 4.248 20 0 FIADHM CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](CC)c1ccccc1 ZINC000436785038 1099315788 /nfs/dbraw/zinc/31/57/88/1099315788.db2.gz ZIZNKFJCKXZIJZ-QGZVFWFLSA-N -1 3 357.450 4.413 20 0 FIADHM CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](CC)c1ccccc1 ZINC000436788236 1099318833 /nfs/dbraw/zinc/31/88/33/1099318833.db2.gz VQRVTHMTVFXQFI-IBGZPJMESA-N -1 3 354.450 4.354 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)c1 ZINC000436786511 1099319486 /nfs/dbraw/zinc/31/94/86/1099319486.db2.gz JIXVFSWYDIWZQR-YCRPNKLZSA-N -1 3 366.461 4.272 20 0 FIADHM CCc1ccc([C@H](NC(=O)c2cc(OC)c([O-])c(OC)c2)C(C)C)cc1 ZINC000436798087 1099328092 /nfs/dbraw/zinc/32/80/92/1099328092.db2.gz QZMFZXMMTCOWBX-LJQANCHMSA-N -1 3 357.450 4.099 20 0 FIADHM Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)c([O-])c1C ZINC000436817098 1099329137 /nfs/dbraw/zinc/32/91/37/1099329137.db2.gz QTXNIORHGWBSBZ-UHFFFAOYSA-N -1 3 354.450 4.050 20 0 FIADHM CCc1ccc(-c2nc(Cc3ccc(-n4nc(C)cc4C)cc3)no2)c([O-])c1 ZINC000436834763 1099345002 /nfs/dbraw/zinc/34/50/02/1099345002.db2.gz ANTLZEWZNCXVSS-UHFFFAOYSA-N -1 3 374.444 4.398 20 0 FIADHM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c([O-])c1 ZINC000436819780 1099346858 /nfs/dbraw/zinc/34/68/58/1099346858.db2.gz JPIQULLVWDUPPJ-YJYMSZOUSA-N -1 3 359.853 4.210 20 0 FIADHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1[O-] ZINC000436850278 1099366825 /nfs/dbraw/zinc/36/68/25/1099366825.db2.gz GIPCMXHOEHELLJ-JTQLQIEISA-N -1 3 351.324 4.105 20 0 FIADHM CCc1ccc(-c2nc(Cc3ccc(OC)c(OC)c3Cl)no2)c([O-])c1 ZINC000436852952 1099368899 /nfs/dbraw/zinc/36/88/99/1099368899.db2.gz JCXJGRPKHOZJLB-UHFFFAOYSA-N -1 3 374.824 4.266 20 0 FIADHM C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccccc1[O-] ZINC000436857831 1099389963 /nfs/dbraw/zinc/38/99/63/1099389963.db2.gz YKGJTNUNYVISJA-SJCJKPOMSA-N -1 3 365.351 4.013 20 0 FIADHM CCc1ccc(-c2nc(CC(=O)Nc3cccc4ccccc43)no2)c([O-])c1 ZINC000436876492 1099394576 /nfs/dbraw/zinc/39/45/76/1099394576.db2.gz ZOIUEHVMAHCROL-UHFFFAOYSA-N -1 3 373.412 4.339 20 0 FIADHM CC(C)[C@@](C)(O)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436907184 1099414520 /nfs/dbraw/zinc/41/45/20/1099414520.db2.gz DYPFWDSUQOMZDT-LJQANCHMSA-N -1 3 356.447 4.014 20 0 FIADHM COc1cc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cc(OC)c1OC ZINC000436895635 1099421722 /nfs/dbraw/zinc/42/17/22/1099421722.db2.gz JRMNUFOORMIHKO-UHFFFAOYSA-N -1 3 370.405 4.258 20 0 FIADHM COc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)c1[O-] ZINC000436925056 1099439348 /nfs/dbraw/zinc/43/93/48/1099439348.db2.gz ZBMPZDMXVQOZQN-UHFFFAOYSA-N -1 3 370.792 4.494 20 0 FIADHM COc1cccc(-c2nc(CCCOc3cccc(C)c3C)no2)c1[O-] ZINC000436926738 1099441579 /nfs/dbraw/zinc/44/15/79/1099441579.db2.gz MRIZSJRNXRHHTF-UHFFFAOYSA-N -1 3 354.406 4.079 20 0 FIADHM CN(C)Cc1cc(-c2noc(-c3cc4ccccc4cc3[O-])n2)ccc1F ZINC000436933481 1099447607 /nfs/dbraw/zinc/44/76/07/1099447607.db2.gz CHRYSBVNHXDXML-UHFFFAOYSA-N -1 3 363.392 4.463 20 0 FIADHM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(O)cc1[O-] ZINC000436933500 1099448072 /nfs/dbraw/zinc/44/80/72/1099448072.db2.gz ULDSSYFHXKCTEG-UHFFFAOYSA-N -1 3 353.340 4.167 20 0 FIADHM COCCOc1ccc(Cl)cc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436951684 1099470056 /nfs/dbraw/zinc/47/00/56/1099470056.db2.gz ZZYDPNCLCJVRMD-UHFFFAOYSA-N -1 3 360.797 4.096 20 0 FIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccnc(OCC(F)F)c2)no1 ZINC000436959574 1099475429 /nfs/dbraw/zinc/47/54/29/1099475429.db2.gz DLWLEKOWWJNOHT-UHFFFAOYSA-N -1 3 369.327 4.301 20 0 FIADHM CC(C)c1ccc(-c2nc(-c3cc(OCC(F)F)ccn3)no2)c([O-])c1 ZINC000436959201 1099475894 /nfs/dbraw/zinc/47/58/94/1099475894.db2.gz LYJARRUZMKGXRR-UHFFFAOYSA-N -1 3 361.348 4.272 20 0 FIADHM CC(C)c1ccc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC000436982998 1099488631 /nfs/dbraw/zinc/48/86/31/1099488631.db2.gz WGQKYGGVKBNZEO-PXNSSMCTSA-N -1 3 357.425 4.305 20 0 FIADHM CCCCOc1ccc(C(=O)N2CC[C@H](COc3ccccc3)C2)c([O-])c1 ZINC000436990111 1099493602 /nfs/dbraw/zinc/49/36/02/1099493602.db2.gz TZFADPHZLWFTQH-KRWDZBQOSA-N -1 3 369.461 4.112 20 0 FIADHM O=c1nc(C=Cc2cc([O-])cc(F)c2)[nH]c2sc(Br)cc21 ZINC000436985069 1099503522 /nfs/dbraw/zinc/50/35/22/1099503522.db2.gz GOFKODODCFDIED-OWOJBTEDSA-N -1 3 367.199 4.175 20 0 FIADHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000516700784 1099732981 /nfs/dbraw/zinc/73/29/81/1099732981.db2.gz YFEBKSFNDXZLCE-NSHDSACASA-N -1 3 351.374 4.059 20 0 FIADHM C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000263166241 1099768521 /nfs/dbraw/zinc/76/85/21/1099768521.db2.gz PJNDCOTWAMOUGO-MRXNPFEDSA-N -1 3 370.396 4.126 20 0 FIADHM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)ccc1Cl ZINC000437288987 1099771440 /nfs/dbraw/zinc/77/14/40/1099771440.db2.gz OAEMJZXJBUEXBI-UWVGGRQHSA-N -1 3 373.799 4.126 20 0 FIADHM O=S(=O)([N-]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)s1 ZINC000437299507 1099784487 /nfs/dbraw/zinc/78/44/87/1099784487.db2.gz VECKBCQLNSWHRL-IUCAKERBSA-N -1 3 361.838 4.049 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(Cc3c(F)cccc3F)CC2)s1 ZINC000516879105 1099904575 /nfs/dbraw/zinc/90/45/75/1099904575.db2.gz MFVQUFINQFEICN-UHFFFAOYSA-N -1 3 351.418 4.179 20 0 FIADHM O=C([O-])c1ccc(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000516976109 1099965094 /nfs/dbraw/zinc/96/50/94/1099965094.db2.gz VNRIDMJZSSZPDI-UHFFFAOYSA-N -1 3 364.367 4.178 20 0 FIADHM O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cccc2n[n-]nc21 ZINC000517194960 1100152179 /nfs/dbraw/zinc/15/21/79/1100152179.db2.gz RZILEVGDKQNZTL-UHFFFAOYSA-N -1 3 365.780 4.051 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(Sc3nncs3)cc2)c1 ZINC000536686830 1100179846 /nfs/dbraw/zinc/17/98/46/1100179846.db2.gz XHSHUEAGCHJPNE-UHFFFAOYSA-N -1 3 357.460 4.210 20 0 FIADHM Cc1ccc(-c2nc([N-]C(=O)c3ncsc3-c3ccccc3)n[nH]2)cc1 ZINC000437836565 1100246975 /nfs/dbraw/zinc/24/69/75/1100246975.db2.gz CSFWIAXOAHKTSL-UHFFFAOYSA-N -1 3 361.430 4.156 20 0 FIADHM COCc1ccc([C@H]2CCCN2Cc2cccc([O-])c2Br)o1 ZINC000459520974 1100270048 /nfs/dbraw/zinc/27/00/48/1100270048.db2.gz GUGRXEGPFKRDGY-CQSZACIVSA-N -1 3 366.255 4.231 20 0 FIADHM [O-]c1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1Br ZINC000459527627 1100276268 /nfs/dbraw/zinc/27/62/68/1100276268.db2.gz NFQGCYKXGDIFNU-OAHLLOKOSA-N -1 3 350.231 4.461 20 0 FIADHM COc1cc(NCc2cccc([O-])c2Br)c(C)c(OC)c1 ZINC000459530350 1100279810 /nfs/dbraw/zinc/27/98/10/1100279810.db2.gz NBIXBDOHCCXENO-UHFFFAOYSA-N -1 3 352.228 4.092 20 0 FIADHM [O-]c1cccc(CN[C@H](CCO)c2ccc(Cl)cc2)c1Br ZINC000459562759 1100313005 /nfs/dbraw/zinc/31/30/05/1100313005.db2.gz PBRCTANVJTYOAP-CQSZACIVSA-N -1 3 370.674 4.021 20 0 FIADHM [O-]c1cccc(CNCc2ccc(C3CC3)cc2F)c1Br ZINC000459567093 1100316729 /nfs/dbraw/zinc/31/67/29/1100316729.db2.gz ZZUODFFNWPHOHH-UHFFFAOYSA-N -1 3 350.231 4.461 20 0 FIADHM Cc1ccnc([C@@H]2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])C2)c1 ZINC000517585218 1100514266 /nfs/dbraw/zinc/51/42/66/1100514266.db2.gz CQOVUOHRRQHMNK-HXUWFJFHSA-N -1 3 372.468 4.316 20 0 FIADHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OC4CCCC4)cc3)ccc2O1 ZINC000517977638 1100835709 /nfs/dbraw/zinc/83/57/09/1100835709.db2.gz BFNXFRJDUBPFPU-AWEZNQCLSA-N -1 3 373.474 4.132 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1C ZINC000438781694 1100915067 /nfs/dbraw/zinc/91/50/67/1100915067.db2.gz WMESGXXDGAFUFZ-UHFFFAOYSA-N -1 3 359.369 4.132 20 0 FIADHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)cc1C ZINC000509591057 1100987915 /nfs/dbraw/zinc/98/79/15/1100987915.db2.gz OIAGCWPMWDEDEU-UHFFFAOYSA-N -1 3 373.478 4.043 20 0 FIADHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000439053933 1101120760 /nfs/dbraw/zinc/12/07/60/1101120760.db2.gz XXLCCPNGGXGEJP-UHFFFAOYSA-N -1 3 373.239 4.033 20 0 FIADHM CCCN(CCc1cccs1)Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000518386987 1101161383 /nfs/dbraw/zinc/16/13/83/1101161383.db2.gz UGWIFQDEYJHHAK-UHFFFAOYSA-N -1 3 371.506 4.271 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000648431926 1101321862 /nfs/dbraw/zinc/32/18/62/1101321862.db2.gz JHNVSHGYJMXJBV-IJLUTSLNSA-N -1 3 363.811 4.066 20 0 FIADHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000648431925 1101322399 /nfs/dbraw/zinc/32/23/99/1101322399.db2.gz JHNVSHGYJMXJBV-GRYCIOLGSA-N -1 3 363.811 4.066 20 0 FIADHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000648444678 1101604385 /nfs/dbraw/zinc/60/43/85/1101604385.db2.gz SBFAOSCZNKFTTE-UHFFFAOYSA-N -1 3 365.414 4.029 20 0 FIADHM Cc1c(-c2ccccc2)sc2[n-]c(COCC(F)(F)F)nc(=O)c12 ZINC000055503130 1101675154 /nfs/dbraw/zinc/67/51/54/1101675154.db2.gz PNLYFAUURDBFNN-UHFFFAOYSA-N -1 3 354.353 4.039 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3CC[C@@H](C)C3)cc2)cc1 ZINC000537354904 1101688675 /nfs/dbraw/zinc/68/86/75/1101688675.db2.gz NCDPSPOBVUZVNS-CVEARBPZSA-N -1 3 372.490 4.171 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(=Cc3cccc(OC)c3)CC2)c1 ZINC000532386558 1101740047 /nfs/dbraw/zinc/74/00/47/1101740047.db2.gz YOEYVWHDKGYMFF-UHFFFAOYSA-N -1 3 351.446 4.283 20 0 FIADHM CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000023988285 1101760307 /nfs/dbraw/zinc/76/03/07/1101760307.db2.gz ZKKGQQKZTMGRJC-UHFFFAOYSA-N -1 3 364.442 4.064 20 0 FIADHM O=C(Nc1ccc2oc3ccccc3c2c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000518957295 1101765340 /nfs/dbraw/zinc/76/53/40/1101765340.db2.gz GRJCDUBYUWBEPB-UHFFFAOYSA-N -1 3 371.352 4.114 20 0 FIADHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cc(C)nc4ccccc43)c2)n1 ZINC000760219788 1101818318 /nfs/dbraw/zinc/81/83/18/1101818318.db2.gz VXIQUGOUJABNOL-UHFFFAOYSA-N -1 3 371.396 4.233 20 0 FIADHM Cc1nn(-c2ccc(C)cc2)cc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000653504102 1101848683 /nfs/dbraw/zinc/84/86/83/1101848683.db2.gz HNMQXJJNTYOHQF-OAQYLSRUSA-N -1 3 363.461 4.185 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCC[C@H](C(C)C)C3)cc2)cc(=O)[n-]1 ZINC000519057555 1101880700 /nfs/dbraw/zinc/88/07/00/1101880700.db2.gz VBWOGGQBWAUXBX-FUHWJXTLSA-N -1 3 368.481 4.494 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1 ZINC000064343123 1101955184 /nfs/dbraw/zinc/95/51/84/1101955184.db2.gz GJTJTGOFRYYMTD-UHFFFAOYSA-N -1 3 374.227 4.304 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000064343173 1101955716 /nfs/dbraw/zinc/95/57/16/1101955716.db2.gz FIMZJPRTBQVMNL-UHFFFAOYSA-N -1 3 373.334 4.016 20 0 FIADHM O=C(Cc1cccc(Br)c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476147505 1101976850 /nfs/dbraw/zinc/97/68/50/1101976850.db2.gz JHNJFRVAVALCKP-UHFFFAOYSA-N -1 3 374.156 4.355 20 0 FIADHM CCCCc1noc(CSc2nnc([N-]c3ccccc3F)s2)n1 ZINC000029482989 1102152991 /nfs/dbraw/zinc/15/29/91/1102152991.db2.gz OEMQQAQGRUZEOG-UHFFFAOYSA-N -1 3 365.459 4.439 20 0 FIADHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)ccc2O1 ZINC000440297216 1102178641 /nfs/dbraw/zinc/17/86/41/1102178641.db2.gz VBAMSTJULKDNNR-UHFFFAOYSA-N -1 3 353.390 4.139 20 0 FIADHM COc1cc([C@@H](C)NCc2cccc(C(=O)[O-])c2)ccc1OCC(C)C ZINC000263501297 1102201357 /nfs/dbraw/zinc/20/13/57/1102201357.db2.gz VNFTVGVHKJGRSU-OAHLLOKOSA-N -1 3 357.450 4.279 20 0 FIADHM CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](C)C(F)(F)F ZINC000640054004 1102241220 /nfs/dbraw/zinc/24/12/20/1102241220.db2.gz YXXADZFGYCXSFZ-VIFPVBQESA-N -1 3 371.384 4.430 20 0 FIADHM O=C([O-])[C@@H]1CN(Cc2ccccc2Oc2ccccc2)C[C@H]1C(F)(F)F ZINC000263558782 1102249085 /nfs/dbraw/zinc/24/90/85/1102249085.db2.gz AMCZARFAYVFNGA-HZPDHXFCSA-N -1 3 365.351 4.174 20 0 FIADHM O=C([O-])C[C@@H](CNCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000426653859 1102262434 /nfs/dbraw/zinc/26/24/34/1102262434.db2.gz GHOBGUPLRVUQDW-HNNXBMFYSA-N -1 3 358.488 4.220 20 0 FIADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000121095749 1102325807 /nfs/dbraw/zinc/32/58/07/1102325807.db2.gz SROZBSBPYFSDDN-UHFFFAOYSA-N -1 3 365.780 4.032 20 0 FIADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000121095749 1102325821 /nfs/dbraw/zinc/32/58/21/1102325821.db2.gz SROZBSBPYFSDDN-UHFFFAOYSA-N -1 3 365.780 4.032 20 0 FIADHM O=C(NCc1ncccc1[O-])c1ccc(SCc2ccccc2)cc1 ZINC000473636411 1102351523 /nfs/dbraw/zinc/35/15/23/1102351523.db2.gz FQPZFAPMXLLQEE-UHFFFAOYSA-N -1 3 350.443 4.010 20 0 FIADHM Cc1ccccc1Sc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000473643820 1102368337 /nfs/dbraw/zinc/36/83/37/1102368337.db2.gz SHZZAUUGLNCVDJ-UHFFFAOYSA-N -1 3 350.443 4.177 20 0 FIADHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000111210788 1102476540 /nfs/dbraw/zinc/47/65/40/1102476540.db2.gz ZDUDNXBDHNYLNZ-UHFFFAOYSA-N -1 3 362.216 4.445 20 0 FIADHM CCc1c(C(=O)Nc2cc(Cl)ccc2[O-])cnn1-c1ccc(C)cc1 ZINC000111211328 1102479783 /nfs/dbraw/zinc/47/97/83/1102479783.db2.gz NHTWVENQRKFYOL-UHFFFAOYSA-N -1 3 355.825 4.354 20 0 FIADHM CC1(C)CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]1c1ccncc1 ZINC000664831711 1102579398 /nfs/dbraw/zinc/57/93/98/1102579398.db2.gz SVDNARGUJHXSOK-IBGZPJMESA-N -1 3 360.417 4.060 20 0 FIADHM O=C([O-])[C@@H](CCNCc1csc(-c2cccs2)n1)Cc1ccccc1 ZINC000426665080 1102606746 /nfs/dbraw/zinc/60/67/46/1102606746.db2.gz IWILQKHLRZZXGI-HNNXBMFYSA-N -1 3 372.515 4.295 20 0 FIADHM CCOC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000440468861 1102716184 /nfs/dbraw/zinc/71/61/84/1102716184.db2.gz UYIDHZULNKNDBH-UHFFFAOYSA-N -1 3 362.451 4.340 20 0 FIADHM CC(C)(C)OCCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000473796195 1102784787 /nfs/dbraw/zinc/78/47/87/1102784787.db2.gz CAKVWTZFPSORNB-UHFFFAOYSA-N -1 3 372.494 4.209 20 0 FIADHM O=C([O-])C[C@H](NCc1ccc(OCc2ccncc2)cc1)c1ccsc1 ZINC000426672437 1102860812 /nfs/dbraw/zinc/86/08/12/1102860812.db2.gz RGIBWLFEDHQBIT-IBGZPJMESA-N -1 3 368.458 4.028 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cccc(-c3ccoc3)c2)c([O-])c1 ZINC000536618847 1102907915 /nfs/dbraw/zinc/90/79/15/1102907915.db2.gz IAXHEYYZEHKRPX-UHFFFAOYSA-N -1 3 351.358 4.081 20 0 FIADHM C[C@@H]1CCc2nc(CNCCC[C@@H](Cc3ccccc3)C(=O)[O-])sc2C1 ZINC000426675751 1102921817 /nfs/dbraw/zinc/92/18/17/1102921817.db2.gz VVMFAOLSXPDBEN-WBVHZDCISA-N -1 3 372.534 4.081 20 0 FIADHM COc1ccccc1-c1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000426692166 1102935440 /nfs/dbraw/zinc/93/54/40/1102935440.db2.gz PESHAAIHTBALPD-UHFFFAOYSA-N -1 3 361.441 4.279 20 0 FIADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000506907087 1102943149 /nfs/dbraw/zinc/94/31/49/1102943149.db2.gz ANBWSBNAQVMRNK-LBPRGKRZSA-N -1 3 374.362 4.380 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(-c2cccnc2)c1)c1ccc(Cl)c(F)c1 ZINC000426724272 1102943286 /nfs/dbraw/zinc/94/32/86/1102943286.db2.gz QXEXURRFJUBOFV-IBGZPJMESA-N -1 3 370.811 4.457 20 0 FIADHM O=C([O-])[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000426729712 1102949495 /nfs/dbraw/zinc/94/94/95/1102949495.db2.gz GDOLLTWNCCRRGX-AWEZNQCLSA-N -1 3 359.731 4.154 20 0 FIADHM O=C([O-])[C@H](NCc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000426741156 1102958115 /nfs/dbraw/zinc/95/81/15/1102958115.db2.gz KJBPIVPZRKKVSR-CQSZACIVSA-N -1 3 354.631 4.018 20 0 FIADHM COc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1OC(C)C ZINC000426745543 1102961793 /nfs/dbraw/zinc/96/17/93/1102961793.db2.gz UVJKWRLZTXJPHU-FQEVSTJZSA-N -1 3 357.450 4.015 20 0 FIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1Cl ZINC000614841505 1102965220 /nfs/dbraw/zinc/96/52/20/1102965220.db2.gz PSGZNJQWRYBVNW-UHFFFAOYSA-N -1 3 369.870 4.165 20 0 FIADHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1SC ZINC000426753766 1102969264 /nfs/dbraw/zinc/96/92/64/1102969264.db2.gz KVSLYEMVEGKNQM-MRXNPFEDSA-N -1 3 369.845 4.125 20 0 FIADHM Cc1cc(C)cc([C@H](NCc2ccc(OC(F)F)c(Cl)c2)C(=O)[O-])c1 ZINC000426757086 1102971686 /nfs/dbraw/zinc/97/16/86/1102971686.db2.gz NNELFCFQNHRKSZ-INIZCTEOSA-N -1 3 369.795 4.474 20 0 FIADHM O=C([O-])[C@@H](NCc1cccc(-c2ccccn2)c1)c1ccc(Cl)c(F)c1 ZINC000426757318 1102972038 /nfs/dbraw/zinc/97/20/38/1102972038.db2.gz OPOVDOSZOMDWNX-IBGZPJMESA-N -1 3 370.811 4.457 20 0 FIADHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c(OC)c1 ZINC000426806139 1102988496 /nfs/dbraw/zinc/98/84/96/1102988496.db2.gz AOIGPPGQEIKJAV-LJQANCHMSA-N -1 3 357.450 4.133 20 0 FIADHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2F)n1 ZINC000614857500 1102988750 /nfs/dbraw/zinc/98/87/50/1102988750.db2.gz KBXMCQAIMBJMFL-UHFFFAOYSA-N -1 3 373.453 4.046 20 0 FIADHM COc1cccc([C@@H](CC(=O)[O-])NCc2cc3ccccc3s2)c1OC ZINC000426803357 1103001952 /nfs/dbraw/zinc/00/19/52/1103001952.db2.gz MEDSCVJGJNUNIP-MRXNPFEDSA-N -1 3 371.458 4.224 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000426810173 1103005764 /nfs/dbraw/zinc/00/57/64/1103005764.db2.gz IDSOLIFCDGQPNA-CQSZACIVSA-N -1 3 354.631 4.018 20 0 FIADHM COc1ccccc1-c1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426821877 1103016284 /nfs/dbraw/zinc/01/62/84/1103016284.db2.gz XORHUJGVXWQWCU-OAQYLSRUSA-N -1 3 365.404 4.417 20 0 FIADHM COc1cc(C)c(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1OC ZINC000426822181 1103017810 /nfs/dbraw/zinc/01/78/10/1103017810.db2.gz AGIVUYRSEDODNX-IBGZPJMESA-N -1 3 371.477 4.441 20 0 FIADHM O=C([O-])[C@H](NCc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1 ZINC000426824097 1103020932 /nfs/dbraw/zinc/02/09/32/1103020932.db2.gz GKCBTKVJIWIVEZ-CQSZACIVSA-N -1 3 361.722 4.413 20 0 FIADHM O=C([O-])C[C@H](NCc1cccc(OC(F)F)c1)c1cccc(Cl)c1 ZINC000426829133 1103027247 /nfs/dbraw/zinc/02/72/47/1103027247.db2.gz NNUSBLKPRAKHBP-HNNXBMFYSA-N -1 3 355.768 4.247 20 0 FIADHM CCC[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)(C)C ZINC000454299406 1103073995 /nfs/dbraw/zinc/07/39/95/1103073995.db2.gz XBMLZAYSRNASKO-QGZVFWFLSA-N -1 3 356.470 4.494 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)c[n-]c12 ZINC000426889547 1103076652 /nfs/dbraw/zinc/07/66/52/1103076652.db2.gz NNWWVBGRYDWOQR-ZDUSSCGKSA-N -1 3 370.428 4.032 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)C[C@@H](C)c2c[nH]c3ccccc32)c([O-])c1 ZINC000426994396 1103150271 /nfs/dbraw/zinc/15/02/71/1103150271.db2.gz ZGYJZIXVGWFQDJ-CYBMUJFWSA-N -1 3 366.417 4.183 20 0 FIADHM CCc1ccc([O-])c(C(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c1 ZINC000623477063 1103173114 /nfs/dbraw/zinc/17/31/14/1103173114.db2.gz ADSGOEYGTCUOCV-MRXNPFEDSA-N -1 3 364.489 4.010 20 0 FIADHM CCOc1cc(CN(C)Cc2c(F)ccc([O-])c2F)ccc1OC(F)F ZINC000507186701 1103185736 /nfs/dbraw/zinc/18/57/36/1103185736.db2.gz GRSISGMEZQCBBZ-UHFFFAOYSA-N -1 3 373.346 4.303 20 0 FIADHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)Cc1c(F)cccc1F ZINC000507240476 1103235799 /nfs/dbraw/zinc/23/57/99/1103235799.db2.gz CLARDWYEYXYPOB-UHFFFAOYSA-N -1 3 369.371 4.382 20 0 FIADHM CCOC(=O)c1csc([N-]c2ncnc3scc(C(C)(C)C)c32)n1 ZINC000427184570 1103325694 /nfs/dbraw/zinc/32/56/94/1103325694.db2.gz DUYORNIAYXJPAL-UHFFFAOYSA-N -1 3 362.480 4.366 20 0 FIADHM O=c1ccnc(C(=Cc2ccc(OCC(F)F)cc2)Cc2ccccc2)[n-]1 ZINC000477402238 1103461626 /nfs/dbraw/zinc/46/16/26/1103461626.db2.gz FNYIERIUNOFDFI-GHRIWEEISA-N -1 3 368.383 4.197 20 0 FIADHM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507553743 1103478656 /nfs/dbraw/zinc/47/86/56/1103478656.db2.gz SRRACQLUYLSZTK-UHFFFAOYSA-N -1 3 357.834 4.214 20 0 FIADHM O=c1ccnc(C(=Cc2csc(-c3ccccn3)n2)Cc2ccccc2)[n-]1 ZINC000477414060 1103489351 /nfs/dbraw/zinc/48/93/51/1103489351.db2.gz DTWJZSDUXIGTTH-DTQAZKPQSA-N -1 3 372.453 4.484 20 0 FIADHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000477497604 1103573648 /nfs/dbraw/zinc/57/36/48/1103573648.db2.gz DMZDZTVGAVKPRN-UHFFFAOYSA-N -1 3 366.486 4.144 20 0 FIADHM CC[C@H]1Cc2ccccc2CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000519647749 1103766606 /nfs/dbraw/zinc/76/66/06/1103766606.db2.gz SVBVEPMECONGJX-KRWDZBQOSA-N -1 3 359.853 4.254 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CC[C@H](C)C4(CCC4)C3)cc2)cc(=O)[n-]1 ZINC000537750451 1103913159 /nfs/dbraw/zinc/91/31/59/1103913159.db2.gz ZBWCIRFUPQBQAC-AWEZNQCLSA-N -1 3 366.465 4.202 20 0 FIADHM Cc1ccc(-c2cnc(CCC(=O)N=c3cc(-c4ccccc4)[n-][nH]3)o2)cc1 ZINC000519998079 1104021984 /nfs/dbraw/zinc/02/19/84/1104021984.db2.gz ADIQKNSVPJEFMS-UHFFFAOYSA-N -1 3 372.428 4.033 20 0 FIADHM COc1nc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc2ccccc21 ZINC000461105001 1104102566 /nfs/dbraw/zinc/10/25/66/1104102566.db2.gz YTENBUUDZXSCFL-UHFFFAOYSA-N -1 3 374.318 4.116 20 0 FIADHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccccc1CCC(F)(F)F ZINC000536275196 1104414076 /nfs/dbraw/zinc/41/40/76/1104414076.db2.gz KHCIMJUXGKZDSD-UHFFFAOYSA-N -1 3 359.351 4.246 20 0 FIADHM CCOc1ccc(F)c([N-]C(=O)c2csc(-c3ccoc3)n2)c1F ZINC000536282174 1104474574 /nfs/dbraw/zinc/47/45/74/1104474574.db2.gz UYJOINWMXNNMPU-UHFFFAOYSA-N -1 3 350.346 4.332 20 0 FIADHM Cc1cccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)c1[O-] ZINC000188766671 1104749459 /nfs/dbraw/zinc/74/94/59/1104749459.db2.gz RTPRRDQHUDDNNR-ZDUSSCGKSA-N -1 3 361.825 4.022 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188780369 1104750165 /nfs/dbraw/zinc/75/01/65/1104750165.db2.gz PTMLMLYFNXNNSU-UHFFFAOYSA-N -1 3 371.305 4.037 20 0 FIADHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccc(C(F)(F)F)cc1 ZINC000189919497 1104864627 /nfs/dbraw/zinc/86/46/27/1104864627.db2.gz PEAAWGNFKQSLIB-GFCCVEGCSA-N -1 3 374.362 4.080 20 0 FIADHM CCCCOc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)c([O-])c1 ZINC000190247335 1104887653 /nfs/dbraw/zinc/88/76/53/1104887653.db2.gz DGUVMJRGIOBMDC-UHFFFAOYSA-N -1 3 361.482 4.135 20 0 FIADHM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NCc1csc(C2CC2)n1 ZINC000417559527 1104974868 /nfs/dbraw/zinc/97/48/68/1104974868.db2.gz IORGQVPYRGNDKI-AWEZNQCLSA-N -1 3 371.289 4.113 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000469623060 1104977840 /nfs/dbraw/zinc/97/78/40/1104977840.db2.gz SUXUSDIZMSVRKB-UHFFFAOYSA-N -1 3 373.815 4.332 20 0 FIADHM Cc1ncsc1CN[C@@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000417570142 1104990724 /nfs/dbraw/zinc/99/07/24/1104990724.db2.gz MMOSINGLLCCACM-ZDUSSCGKSA-N -1 3 359.278 4.454 20 0 FIADHM O=C([O-])[C@@H]1C[C@H](NCc2ccc(F)c(C(F)(F)F)c2)c2ccccc21 ZINC000417628266 1105027356 /nfs/dbraw/zinc/02/73/56/1105027356.db2.gz VXTFPDQZJUZFBT-CJNGLKHVSA-N -1 3 353.315 4.247 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2c[nH]cc2-c2ccc(C)s2)c([O-])c1 ZINC000427628721 1105148258 /nfs/dbraw/zinc/14/82/58/1105148258.db2.gz JBETVWVEHKPIJC-UHFFFAOYSA-N -1 3 370.430 4.186 20 0 FIADHM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000450896702 1106783141 /nfs/dbraw/zinc/78/31/41/1106783141.db2.gz NZRPNPNDDWAISA-DGCLKSJQSA-N -1 3 374.828 4.024 20 0 FIADHM O=C([O-])c1cccc(CN2CCC[C@@]3(CCc4ccccc4O3)C2)c1Cl ZINC000530172075 1106883975 /nfs/dbraw/zinc/88/39/75/1106883975.db2.gz HVOIVPJEPXBGAR-OAQYLSRUSA-N -1 3 371.864 4.398 20 0 FIADHM C[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000451034865 1106899801 /nfs/dbraw/zinc/89/98/01/1106899801.db2.gz YOVUDIAXYLCBCR-LLVKDONJSA-N -1 3 355.331 4.013 20 0 FIADHM CN(C)C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000530252984 1106932158 /nfs/dbraw/zinc/93/21/58/1106932158.db2.gz SYWWRTSJJRNWGH-QGZVFWFLSA-N -1 3 367.276 4.084 20 0 FIADHM Cc1nc(-c2ccc(N(C)Cc3ccccc3Cl)nc2)[n-]c(=O)c1C ZINC000301154826 1106948382 /nfs/dbraw/zinc/94/83/82/1106948382.db2.gz CNGVOWWZMNVZPW-UHFFFAOYSA-N -1 3 354.841 4.151 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cc(Cl)ccc3OC)nc2)n1 ZINC000301163983 1106950624 /nfs/dbraw/zinc/95/06/24/1106950624.db2.gz GPIOZUHHCUMTBY-UHFFFAOYSA-N -1 3 370.840 4.081 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(C)CCc3ccc(Cl)cc3)nc2)n1 ZINC000301262430 1106975321 /nfs/dbraw/zinc/97/53/21/1106975321.db2.gz HDNBFJQABITXMH-UHFFFAOYSA-N -1 3 368.868 4.139 20 0 FIADHM CC[C@H](C)c1cccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001626412581 1106993829 /nfs/dbraw/zinc/99/38/29/1106993829.db2.gz ZMTNGYHXFFBSIY-VHSXEESVSA-N -1 3 355.364 4.220 20 0 FIADHM Cc1nc(-c2ccc(N(C)[C@@H](C)c3cc(F)ccc3F)nc2)[n-]c(=O)c1C ZINC000301496545 1107047822 /nfs/dbraw/zinc/04/78/22/1107047822.db2.gz BFQXPPCIYMXQRO-ZDUSSCGKSA-N -1 3 370.403 4.337 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N(CC)Cc3cccc(Cl)c3)nc2)n1 ZINC000301504465 1107051154 /nfs/dbraw/zinc/05/11/54/1107051154.db2.gz GHXLSRADMCZGSF-UHFFFAOYSA-N -1 3 368.868 4.487 20 0 FIADHM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000301539956 1107064714 /nfs/dbraw/zinc/06/47/14/1107064714.db2.gz JTFYEBNGXGHKQO-JKSUJKDBSA-N -1 3 358.511 4.283 20 0 FIADHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000530497644 1107083819 /nfs/dbraw/zinc/08/38/19/1107083819.db2.gz FRXIWLSSQNRHHR-UHFFFAOYSA-N -1 3 374.853 4.360 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000451450779 1107100547 /nfs/dbraw/zinc/10/05/47/1107100547.db2.gz ZRDYNIWREYRDFC-UHFFFAOYSA-N -1 3 365.807 4.215 20 0 FIADHM COc1ccc2nc(C)nc(NCc3ccc([O-])c(Br)c3)c2c1 ZINC000301937653 1107219028 /nfs/dbraw/zinc/21/90/28/1107219028.db2.gz UCSZHAUJUKRYJY-UHFFFAOYSA-N -1 3 374.238 4.027 20 0 FIADHM O=C(CCCOc1ccccc1F)Nc1cc(Br)ccc1[O-] ZINC000530678449 1107248101 /nfs/dbraw/zinc/24/81/01/1107248101.db2.gz ZCZGIVMFMHCUSX-UHFFFAOYSA-N -1 3 368.202 4.092 20 0 FIADHM Cc1nc(-c2ccc(NCc3ccc(Cl)cc3F)nc2)[n-]c(=O)c1C ZINC000302510183 1107380028 /nfs/dbraw/zinc/38/00/28/1107380028.db2.gz NSVYCCCRDDNRCJ-UHFFFAOYSA-N -1 3 358.804 4.266 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000530897180 1107388924 /nfs/dbraw/zinc/38/89/24/1107388924.db2.gz MHEGPXGYPGWZID-UHFFFAOYSA-N -1 3 366.179 4.276 20 0 FIADHM COc1ccc([C@H](C)CC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000530937665 1107412553 /nfs/dbraw/zinc/41/25/53/1107412553.db2.gz CFNFKAAURACAOU-LLVKDONJSA-N -1 3 364.239 4.296 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCc4c(cccc4C(C)C)C3)nc2)n1 ZINC000302777378 1107438582 /nfs/dbraw/zinc/43/85/82/1107438582.db2.gz PKMKYTUODJANOE-UHFFFAOYSA-N -1 3 374.488 4.493 20 0 FIADHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(F)c(F)c1 ZINC000531015107 1107464345 /nfs/dbraw/zinc/46/43/45/1107464345.db2.gz CUJOQQIXCXCPCD-QMMMGPOBSA-N -1 3 356.166 4.175 20 0 FIADHM Cc1nc2sccn2c1-c1nc(-c2ccc3nc([O-])oc3c2)cs1 ZINC000531138177 1107586973 /nfs/dbraw/zinc/58/69/73/1107586973.db2.gz ODRICZZUOCXWNL-UHFFFAOYSA-N -1 3 354.416 4.342 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000452581659 1107807950 /nfs/dbraw/zinc/80/79/50/1107807950.db2.gz CILIZUXDAXUJLT-GOSISDBHSA-N -1 3 351.780 4.134 20 0 FIADHM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000531373982 1107817175 /nfs/dbraw/zinc/81/71/75/1107817175.db2.gz RSWTWXOWQMLZCD-UHFFFAOYSA-N -1 3 373.815 4.299 20 0 FIADHM CC(C)OC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000531399820 1107855841 /nfs/dbraw/zinc/85/58/41/1107855841.db2.gz XMHDSGWQTXDXOC-UHFFFAOYSA-N -1 3 355.434 4.214 20 0 FIADHM Cc1nc(C(F)(F)F)c(COC(=O)c2cccc(Cl)c2[O-])s1 ZINC000759620495 1107906082 /nfs/dbraw/zinc/90/60/82/1107906082.db2.gz LXIMPYBYMPSJEI-UHFFFAOYSA-N -1 3 351.733 4.186 20 0 FIADHM CCCc1ncc(C(=O)Nc2c([O-])ccc(Br)c2C)s1 ZINC000452744541 1107928699 /nfs/dbraw/zinc/92/86/99/1107928699.db2.gz CMEZNMAXIMKZKX-UHFFFAOYSA-N -1 3 355.257 4.124 20 0 FIADHM CCC[C@@H](C(=O)Nc1c([O-])ccc(Br)c1C)c1ccccn1 ZINC000452746919 1107929948 /nfs/dbraw/zinc/92/99/48/1107929948.db2.gz GVIFUVQSIGRMBG-GFCCVEGCSA-N -1 3 363.255 4.381 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1csc(-c2cccc(Cl)c2)n1 ZINC000523424233 1108210283 /nfs/dbraw/zinc/21/02/83/1108210283.db2.gz GBFRPMMFQDAAOA-UHFFFAOYSA-N -1 3 362.813 4.238 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000523510503 1108271872 /nfs/dbraw/zinc/27/18/72/1108271872.db2.gz LJWSRWHPNRUPJG-UHFFFAOYSA-N -1 3 369.223 4.106 20 0 FIADHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000445129002 1108464989 /nfs/dbraw/zinc/46/49/89/1108464989.db2.gz BTOREUXETHQQLP-OAHLLOKOSA-N -1 3 370.346 4.333 20 0 FIADHM CCC(CC)c1nnc([N-]C(=O)c2csc(Nc3ccccn3)n2)s1 ZINC000524058717 1108795795 /nfs/dbraw/zinc/79/57/95/1108795795.db2.gz YEFJATAEQBXSJE-UHFFFAOYSA-N -1 3 374.495 4.289 20 0 FIADHM CCOc1cc(CNc2ccccc2OCCOC)cc(Cl)c1[O-] ZINC000459343215 1108992951 /nfs/dbraw/zinc/99/29/51/1108992951.db2.gz FQNSVFQRLBEHME-UHFFFAOYSA-N -1 3 351.830 4.082 20 0 FIADHM COc1ccc(C2(c3noc(-c4ccccc4[O-])n3)CCCC2)cc1OC ZINC000445850925 1109018947 /nfs/dbraw/zinc/01/89/47/1109018947.db2.gz WXERVZQOCOAURL-UHFFFAOYSA-N -1 3 366.417 4.320 20 0 FIADHM Cc1ccccc1C1CC(N(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)C1 ZINC000525090766 1109257833 /nfs/dbraw/zinc/25/78/33/1109257833.db2.gz KCLRXPNMJAEQMD-UHFFFAOYSA-N -1 3 372.468 4.387 20 0 FIADHM CCc1ncc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)s1 ZINC000525263193 1109323329 /nfs/dbraw/zinc/32/33/29/1109323329.db2.gz NCHQWEVPUAERAN-UHFFFAOYSA-N -1 3 362.505 4.198 20 0 FIADHM COCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447256821 1109488917 /nfs/dbraw/zinc/48/89/17/1109488917.db2.gz MASUPMXSIQHSIB-UHFFFAOYSA-N -1 3 361.394 4.033 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N3CCCC(C)(C)CC3)cc2)cc(=O)[n-]1 ZINC000525778492 1109515664 /nfs/dbraw/zinc/51/56/64/1109515664.db2.gz IUZUPRTUCUZAJO-UHFFFAOYSA-N -1 3 354.454 4.202 20 0 FIADHM Cc1cccc(COc2ccc(NC(=O)c3cccc4n[n-]nc43)c(C)c2)c1 ZINC000526114989 1109624870 /nfs/dbraw/zinc/62/48/70/1109624870.db2.gz YLNNDRBWVFLGFW-UHFFFAOYSA-N -1 3 372.428 4.406 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cc(F)c(Cl)cc1F ZINC000447753152 1109637707 /nfs/dbraw/zinc/63/77/07/1109637707.db2.gz JJJYEEFRIFYWRP-UHFFFAOYSA-N -1 3 357.759 4.102 20 0 FIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2cccc(OCc3ccccc3)c2)n1 ZINC000447877019 1109665435 /nfs/dbraw/zinc/66/54/35/1109665435.db2.gz GTBHYUJGCIAKKL-IRXDYDNUSA-N -1 3 363.461 4.481 20 0 FIADHM O=C(Nc1cccc([O-])c1F)c1cc2sc(N3CCCC3)nc2s1 ZINC000527002987 1109671541 /nfs/dbraw/zinc/67/15/41/1109671541.db2.gz IEPMZFDDSWTQRX-UHFFFAOYSA-N -1 3 363.439 4.055 20 0 FIADHM Cc1ccccc1-c1cc(=NC(=O)c2cnc(C)c(Cl)c2Cl)[nH][n-]1 ZINC000527365132 1109750150 /nfs/dbraw/zinc/75/01/50/1109750150.db2.gz RBPXJSAAVWVMJQ-UHFFFAOYSA-N -1 3 361.232 4.070 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCCCC3(F)F)c2)n1 ZINC000448726469 1109873942 /nfs/dbraw/zinc/87/39/42/1109873942.db2.gz TVFCWLYFFKFSRN-HNNXBMFYSA-N -1 3 361.392 4.176 20 0 FIADHM COc1cc(-c2nc(-c3ccccc3OC3CCC3)no2)cc(OC)c1[O-] ZINC000528258956 1109947739 /nfs/dbraw/zinc/94/77/39/1109947739.db2.gz PJZWFOYPNOPRTK-UHFFFAOYSA-N -1 3 368.389 4.058 20 0 FIADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(C2CCC2)c1 ZINC000428499065 1110163539 /nfs/dbraw/zinc/16/35/39/1110163539.db2.gz VJYHEVBVDBDWKX-UHFFFAOYSA-N -1 3 362.433 4.071 20 0 FIADHM O=C(Cc1ccc([O-])c(F)c1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000450124041 1110248924 /nfs/dbraw/zinc/24/89/24/1110248924.db2.gz CVGFZFZMUIYIIX-UHFFFAOYSA-N -1 3 363.379 4.323 20 0 FIADHM CCC[C@@H](OC)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000450291470 1110278374 /nfs/dbraw/zinc/27/83/74/1110278374.db2.gz FUZLBSIQFZKPHY-MRXNPFEDSA-N -1 3 356.447 4.423 20 0 FIADHM CCC[C@H](OC)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000450291469 1110278382 /nfs/dbraw/zinc/27/83/82/1110278382.db2.gz FUZLBSIQFZKPHY-INIZCTEOSA-N -1 3 356.447 4.423 20 0 FIADHM Cc1coc(-c2ccc(C)c(NC(=O)c3c[n-]c4ccccc4c3=O)c2)n1 ZINC000120778068 1110281191 /nfs/dbraw/zinc/28/11/91/1110281191.db2.gz AJUFGQAPYLBKTR-UHFFFAOYSA-N -1 3 359.385 4.052 20 0 FIADHM Cc1oc2ncnc([N-]C(=O)c3coc(-c4ccccc4Cl)n3)c2c1C ZINC000538464523 1111154164 /nfs/dbraw/zinc/15/41/64/1111154164.db2.gz BTQWMYUWBLVMJR-UHFFFAOYSA-N -1 3 368.780 4.400 20 0 FIADHM CC[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC000461458711 1111224013 /nfs/dbraw/zinc/22/40/13/1111224013.db2.gz ZQAPINJOIOALJY-CYBMUJFWSA-N -1 3 352.203 4.426 20 0 FIADHM CCCNC(=O)c1ccc(NC(=O)c2cccc(CC)c2[O-])cc1Cl ZINC000538744564 1111277969 /nfs/dbraw/zinc/27/79/69/1111277969.db2.gz YUKCBZPWMIWXJS-UHFFFAOYSA-N -1 3 360.841 4.000 20 0 FIADHM CCc1cccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1[O-] ZINC000538746132 1111279058 /nfs/dbraw/zinc/27/90/58/1111279058.db2.gz YHOSSQHLLFMQGP-UHFFFAOYSA-N -1 3 365.473 4.307 20 0 FIADHM Cc1c(CNC(=O)CCCc2ccc([O-])c(F)c2)oc2ccc(F)cc12 ZINC000468962980 1111487562 /nfs/dbraw/zinc/48/75/62/1111487562.db2.gz OEEHXHPSPPYIMD-UHFFFAOYSA-N -1 3 359.372 4.364 20 0 FIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462189707 1111524372 /nfs/dbraw/zinc/52/43/72/1111524372.db2.gz QMRAXANEPWAOQO-UHFFFAOYSA-N -1 3 366.270 4.457 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCC[C@H]4CCCC[C@@H]43)cc2)n1 ZINC000552059415 1111561865 /nfs/dbraw/zinc/56/18/65/1111561865.db2.gz XSYIZJHHQCBFLM-AYOQOUSVSA-N -1 3 365.477 4.290 20 0 FIADHM O=C(CCc1ccc(Br)cc1)Nc1c([O-])cccc1Cl ZINC000552782534 1111811007 /nfs/dbraw/zinc/81/10/07/1111811007.db2.gz SFNOYPJKWTZHRS-UHFFFAOYSA-N -1 3 354.631 4.379 20 0 FIADHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccccc3OC(C)(C)C)c[n-]c12 ZINC000552984688 1111875753 /nfs/dbraw/zinc/87/57/53/1111875753.db2.gz AEAUMHSLFYDDBT-UHFFFAOYSA-N -1 3 368.408 4.405 20 0 FIADHM CCOc1ccc2nc([N-]C(=O)c3scnc3C(F)(F)F)sc2c1 ZINC000553225900 1111931902 /nfs/dbraw/zinc/93/19/02/1111931902.db2.gz QCQQGFNQDFAQRG-UHFFFAOYSA-N -1 3 373.381 4.423 20 0 FIADHM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cc2cc(Cl)ccc2s1 ZINC000553572171 1112011503 /nfs/dbraw/zinc/01/15/03/1112011503.db2.gz XMBAYOSVTHYCNH-UHFFFAOYSA-N -1 3 369.817 4.174 20 0 FIADHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc(Cl)c(F)cc1Cl ZINC000479518467 1112057783 /nfs/dbraw/zinc/05/77/83/1112057783.db2.gz QOZFCNJYYJPIGR-UHFFFAOYSA-N -1 3 374.146 4.341 20 0 FIADHM O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1cc(=O)c2ccccc2[n-]1 ZINC000553828989 1112107001 /nfs/dbraw/zinc/10/70/01/1112107001.db2.gz QEQDOKFWLLQCKL-CYBMUJFWSA-N -1 3 358.850 4.050 20 0 FIADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000554416675 1112338208 /nfs/dbraw/zinc/33/82/08/1112338208.db2.gz GSFKHURPBJPHHZ-LLVKDONJSA-N -1 3 363.248 4.288 20 0 FIADHM CC(=O)c1cccc(NC(=O)c2cnc(Cc3ccccc3F)s2)c1[O-] ZINC000554869084 1112537771 /nfs/dbraw/zinc/53/77/71/1112537771.db2.gz OXLDSVPCTSWVHR-UHFFFAOYSA-N -1 3 370.405 4.034 20 0 FIADHM CCc1cccc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000554902649 1112554326 /nfs/dbraw/zinc/55/43/26/1112554326.db2.gz ZVTNHRYXAYFLOB-MJGOQNOKSA-N -1 3 357.425 4.086 20 0 FIADHM CC1(C)CN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@@H]1c1cccs1 ZINC000899128479 1112624420 /nfs/dbraw/zinc/62/44/20/1112624420.db2.gz QCGBMSWQTDIVJK-QGZVFWFLSA-N -1 3 374.412 4.091 20 0 FIADHM O=S(=O)([N-][C@@H]1CCCc2c(O)cccc21)c1c(Cl)cccc1Cl ZINC000480889164 1112648386 /nfs/dbraw/zinc/64/83/86/1112648386.db2.gz KYIGAZALRGVBSU-CQSZACIVSA-N -1 3 372.273 4.055 20 0 FIADHM O=S(=O)([N-][C@H]1CCCc2c(O)cccc21)c1c(Cl)cccc1Cl ZINC000480889163 1112648428 /nfs/dbraw/zinc/64/84/28/1112648428.db2.gz KYIGAZALRGVBSU-AWEZNQCLSA-N -1 3 372.273 4.055 20 0 FIADHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)sc1C(F)(F)F ZINC000555932800 1113073731 /nfs/dbraw/zinc/07/37/31/1113073731.db2.gz TZCWWCCEXMULHJ-UHFFFAOYSA-N -1 3 353.325 4.378 20 0 FIADHM O=c1cc(C=Cc2ccc(-c3ccccc3F)o2)nc(-c2ccncc2)[n-]1 ZINC000486053915 1113496898 /nfs/dbraw/zinc/49/68/98/1113496898.db2.gz UIYKNPLRFNSQSL-AATRIKPKSA-N -1 3 359.360 4.401 20 0 FIADHM COc1sc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000486104644 1113506334 /nfs/dbraw/zinc/50/63/34/1113506334.db2.gz QMIXWQZZUDKTDV-SNAWJCMRSA-N -1 3 353.241 4.063 20 0 FIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2)cc1Br ZINC000486132474 1113508899 /nfs/dbraw/zinc/50/88/99/1113508899.db2.gz ZHTUTLLSVDFJHS-UHFFFAOYSA-N -1 3 358.232 4.006 20 0 FIADHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3c3ccc(F)cc3)nc2)n1 ZINC000486441132 1113568878 /nfs/dbraw/zinc/56/88/78/1113568878.db2.gz FFQIOGZMFVHSHT-GOSISDBHSA-N -1 3 364.424 4.287 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000486785761 1113649437 /nfs/dbraw/zinc/64/94/37/1113649437.db2.gz DNWWUAIXFYAHDJ-NSHGMRRFSA-N -1 3 368.452 4.399 20 0 FIADHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000488430368 1113929081 /nfs/dbraw/zinc/92/90/81/1113929081.db2.gz YFUQDEMFMFMGCX-UHFFFAOYSA-N -1 3 352.459 4.036 20 0 FIADHM CC[C@H](CC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000488687817 1113973391 /nfs/dbraw/zinc/97/33/91/1113973391.db2.gz RWESFKMSKDXSJJ-CQSZACIVSA-N -1 3 362.267 4.355 20 0 FIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCn2c(cc3ccccc32)C1 ZINC000570477889 1114115638 /nfs/dbraw/zinc/11/56/38/1114115638.db2.gz SOGBNEJEHJUPKG-UHFFFAOYSA-N -1 3 366.436 4.241 20 0 FIADHM Cc1cc(C)c(NC(=O)[C@@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)c(C)c1 ZINC000571186462 1114437445 /nfs/dbraw/zinc/43/74/45/1114437445.db2.gz UOFIIHXGZLKHHX-CQSZACIVSA-N -1 3 371.506 4.245 20 0 FIADHM CC[C@H](c1ccc(Cl)cc1)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000572414634 1114636861 /nfs/dbraw/zinc/63/68/61/1114636861.db2.gz FYEQTOGEIDLYHF-GOSISDBHSA-N -1 3 361.873 4.331 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)Nc3cccc4c3ccn4C)cc2)cc(=O)[n-]1 ZINC000588913449 1114672142 /nfs/dbraw/zinc/67/21/42/1114672142.db2.gz JLWFZKQSWDFNBL-UHFFFAOYSA-N -1 3 373.416 4.293 20 0 FIADHM O=C([N-]c1cnoc1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000589909772 1114863964 /nfs/dbraw/zinc/86/39/64/1114863964.db2.gz KEPBDSGOGIRYOF-UHFFFAOYSA-N -1 3 364.336 4.147 20 0 FIADHM O=C([N-]NC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1Cl ZINC000057095977 1114875440 /nfs/dbraw/zinc/87/54/40/1114875440.db2.gz DRYUFSYNOYICSS-UHFFFAOYSA-N -1 3 359.212 4.221 20 0 FIADHM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000573980156 1115227357 /nfs/dbraw/zinc/22/73/57/1115227357.db2.gz NNAOPAWYNGJWFU-UHFFFAOYSA-N -1 3 374.868 4.416 20 0 FIADHM C[C@H](CSCCNCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000592460862 1115234165 /nfs/dbraw/zinc/23/41/65/1115234165.db2.gz BRCAZQLNESGDNV-GFCCVEGCSA-N -1 3 353.871 4.144 20 0 FIADHM CC(C)(c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1)C(F)(F)F ZINC000760990309 1115251528 /nfs/dbraw/zinc/25/15/28/1115251528.db2.gz MQBUOCBZIFSNHU-WJDWOHSUSA-N -1 3 374.362 4.250 20 0 FIADHM O=C([O-])c1ccc(OCCN2CCC(c3ccccc3)CC2)c(Cl)c1 ZINC000574213405 1115295322 /nfs/dbraw/zinc/29/53/22/1115295322.db2.gz RTEJLULOIRVAQT-UHFFFAOYSA-N -1 3 359.853 4.297 20 0 FIADHM Cc1ccccc1-c1nc(COC(=O)c2cc(Cl)c(Cl)[n-]2)no1 ZINC000761061385 1115436476 /nfs/dbraw/zinc/43/64/76/1115436476.db2.gz YLBYJPKLJAWNFD-UHFFFAOYSA-N -1 3 352.177 4.037 20 0 FIADHM CCCCn1ncc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1C(C)C ZINC000574703243 1115440051 /nfs/dbraw/zinc/44/00/51/1115440051.db2.gz MCPHDIKVUZSUOK-UHFFFAOYSA-N -1 3 369.918 4.402 20 0 FIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(=O)OC)c(Cl)c2)CC)n1 ZINC000594694668 1115479769 /nfs/dbraw/zinc/47/97/69/1115479769.db2.gz AJIRSEOPAOCXDG-UKTHLTGXSA-N -1 3 360.841 4.113 20 0 FIADHM COc1ccc(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c(Cl)c1 ZINC000594861752 1115486403 /nfs/dbraw/zinc/48/64/03/1115486403.db2.gz YOLUJDJCBBMVHJ-UHFFFAOYSA-N -1 3 355.825 4.030 20 0 FIADHM CC[C@H]1CC[C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000575070628 1115533055 /nfs/dbraw/zinc/53/30/55/1115533055.db2.gz FKBBJNHDBDRNSN-KOMQPUFPSA-N -1 3 354.454 4.248 20 0 FIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000158265158 1115547715 /nfs/dbraw/zinc/54/77/15/1115547715.db2.gz PDPDEDYRXJJOCS-MRXNPFEDSA-N -1 3 354.834 4.241 20 0 FIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000158265158 1115547719 /nfs/dbraw/zinc/54/77/19/1115547719.db2.gz PDPDEDYRXJJOCS-MRXNPFEDSA-N -1 3 354.834 4.241 20 0 FIADHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000061035487 1115756455 /nfs/dbraw/zinc/75/64/55/1115756455.db2.gz SSOQVKOJFLLKOK-UHFFFAOYSA-N -1 3 364.898 4.377 20 0 FIADHM Cc1nc(-c2ccc(NC(=O)N[C@H](C)CCC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000605596759 1115909276 /nfs/dbraw/zinc/90/92/76/1115909276.db2.gz PHXUSOMYQXIDCS-CYBMUJFWSA-N -1 3 356.470 4.494 20 0 FIADHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1coc(-c2ccccc2)n1 ZINC000606531610 1115953513 /nfs/dbraw/zinc/95/35/13/1115953513.db2.gz JBFAJKVPZKPHRL-UHFFFAOYSA-N -1 3 364.792 4.059 20 0 FIADHM O=C(COc1ccc(Cl)c2ccccc12)NCc1ccc([O-])c(F)c1 ZINC000606536702 1115953885 /nfs/dbraw/zinc/95/38/85/1115953885.db2.gz SHUVDBZDTMQETL-UHFFFAOYSA-N -1 3 359.784 4.033 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000606537276 1115954054 /nfs/dbraw/zinc/95/40/54/1115954054.db2.gz PGFJVGQAXCSCBV-UHFFFAOYSA-N -1 3 355.340 4.393 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000606669782 1115962238 /nfs/dbraw/zinc/96/22/38/1115962238.db2.gz GYMDEEQQLCBRID-IEBWSBKVSA-N -1 3 356.441 4.132 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)N1CCC(CCc2ccccc2)CC1 ZINC000606714579 1115965400 /nfs/dbraw/zinc/96/54/00/1115965400.db2.gz IZVYZUCLVRAVQK-UHFFFAOYSA-N -1 3 356.441 4.086 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(C)c1C ZINC000607615607 1116049154 /nfs/dbraw/zinc/04/91/54/1116049154.db2.gz FJXOBLKRSCUCAF-UHFFFAOYSA-N -1 3 373.396 4.218 20 0 FIADHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc(-n2ccnc2)c(F)c1 ZINC000063427629 1116063898 /nfs/dbraw/zinc/06/38/98/1116063898.db2.gz LPKPAUMRUFMTBW-UFFVCSGVSA-N -1 3 374.213 4.099 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc2c(cccc2OC(F)F)[nH]1 ZINC000533972349 1116099588 /nfs/dbraw/zinc/09/95/88/1116099588.db2.gz WLCPHUWYTHDFFK-UHFFFAOYSA-N -1 3 352.724 4.381 20 0 FIADHM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)cc3cccnc32)c([O-])c1 ZINC000534828881 1116240741 /nfs/dbraw/zinc/24/07/41/1116240741.db2.gz FYVHUGXCAJGZIY-UHFFFAOYSA-N -1 3 370.792 4.023 20 0 FIADHM C[C@@H](Oc1ccc(C(=O)Nc2cccc([O-])c2F)cn1)c1ccccc1 ZINC000534947036 1116255246 /nfs/dbraw/zinc/25/52/46/1116255246.db2.gz UQUZBJOZEXTJSC-CYBMUJFWSA-N -1 3 352.365 4.319 20 0 FIADHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000122211804 1116329085 /nfs/dbraw/zinc/32/90/85/1116329085.db2.gz UEQHEZXYPGPFHW-UHFFFAOYSA-N -1 3 354.884 4.253 20 0 FIADHM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000462364432 1116340701 /nfs/dbraw/zinc/34/07/01/1116340701.db2.gz VUCYWOSWADYLCA-ZDUSSCGKSA-N -1 3 353.871 4.112 20 0 FIADHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2)s1 ZINC000462547661 1116370106 /nfs/dbraw/zinc/37/01/06/1116370106.db2.gz GYKLKCFMSIPNLZ-UHFFFAOYSA-N -1 3 374.325 4.033 20 0 FIADHM COc1cccc(Cl)c1CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000462770252 1117767490 /nfs/dbraw/zinc/76/74/90/1117767490.db2.gz XLBRSOZSJQSEBR-UHFFFAOYSA-N -1 3 359.731 4.254 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2sc(-c3ccccc3)nc2C)o1 ZINC000540205520 1117933565 /nfs/dbraw/zinc/93/35/65/1117933565.db2.gz HUYYREVAXVLSNQ-ZDUSSCGKSA-N -1 3 362.476 4.059 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2sc(-c3ccccc3)nc2C)o1 ZINC000540205519 1117933808 /nfs/dbraw/zinc/93/38/08/1117933808.db2.gz HUYYREVAXVLSNQ-CYBMUJFWSA-N -1 3 362.476 4.059 20 0 FIADHM CCc1cc(=O)[n-]c(CN[C@H](CC(C)C)c2cc(Cl)ccc2OC)n1 ZINC000540411562 1118038795 /nfs/dbraw/zinc/03/87/95/1118038795.db2.gz QVXFXHUEAPTZRW-MRXNPFEDSA-N -1 3 363.889 4.284 20 0 FIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@@H](C)C(C)C)nc(=O)c2c1C ZINC000463217030 1118040232 /nfs/dbraw/zinc/04/02/32/1118040232.db2.gz AQSOLWPCZOOLPC-WDEREUQCSA-N -1 3 368.524 4.308 20 0 FIADHM O=c1[n-]c(CN2CCn3c(cc4ccccc43)C2)nc2c3ccccc3oc21 ZINC000463351360 1118111050 /nfs/dbraw/zinc/11/10/50/1118111050.db2.gz UPLCKULFAOGFJD-UHFFFAOYSA-N -1 3 370.412 4.052 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)c(C)o1 ZINC000540653775 1118166326 /nfs/dbraw/zinc/16/63/26/1118166326.db2.gz MTHAVNDIKLCZQW-UHFFFAOYSA-N -1 3 353.749 4.369 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)C[C@H]2C[C@H]2C)cc1 ZINC000463464614 1118170958 /nfs/dbraw/zinc/17/09/58/1118170958.db2.gz NCZROMXMRZGZJQ-HZPDHXFCSA-N -1 3 372.490 4.089 20 0 FIADHM O=C(N[C@H](c1cc2ccccc2o1)c1ccccc1)c1cccc2n[n-]nc21 ZINC000540963116 1118325940 /nfs/dbraw/zinc/32/59/40/1118325940.db2.gz CASKONYFBAIRLZ-FQEVSTJZSA-N -1 3 368.396 4.224 20 0 FIADHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001272349998 1118327096 /nfs/dbraw/zinc/32/70/96/1118327096.db2.gz JDTLSDGFRGLQJC-UHFFFAOYSA-N -1 3 367.405 4.006 20 0 FIADHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001272349998 1118327101 /nfs/dbraw/zinc/32/71/01/1118327101.db2.gz JDTLSDGFRGLQJC-UHFFFAOYSA-N -1 3 367.405 4.006 20 0 FIADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]Cc1cscc1Cl ZINC001288892842 1118521417 /nfs/dbraw/zinc/52/14/17/1118521417.db2.gz SBBXQPDTXUKOHS-UHFFFAOYSA-N -1 3 366.216 4.472 20 0 FIADHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cc1Cl ZINC000464415042 1118548150 /nfs/dbraw/zinc/54/81/50/1118548150.db2.gz RIKGSNROCMHRCN-UHFFFAOYSA-N -1 3 370.927 4.237 20 0 FIADHM COc1ccsc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000173227158 1119026160 /nfs/dbraw/zinc/02/61/60/1119026160.db2.gz AGJACBOASKVVRH-UHFFFAOYSA-N -1 3 365.867 4.105 20 0 FIADHM Cn1c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2nc1C(C)(C)C ZINC000492193938 1119042914 /nfs/dbraw/zinc/04/29/14/1119042914.db2.gz FXWXAKBSUPKJCH-UHFFFAOYSA-N -1 3 357.841 4.482 20 0 FIADHM O=C(Nc1cc(Br)ccc1[O-])c1nc(Cl)ccc1Cl ZINC000176433511 1119098604 /nfs/dbraw/zinc/09/86/04/1119098604.db2.gz VVOQZAHTDHJLBM-UHFFFAOYSA-N -1 3 362.010 4.109 20 0 FIADHM Cc1ccc(-c2cnc(CO[N-]C(=O)CCCc3ccccc3)o2)cc1 ZINC000152246858 1119172519 /nfs/dbraw/zinc/17/25/19/1119172519.db2.gz RWNHZKZWZGDBJI-UHFFFAOYSA-N -1 3 350.418 4.221 20 0 FIADHM CCOC(=O)c1sc([N-]C(=O)c2c(F)c(F)cc(F)c2F)cc1C ZINC000175595579 1119215361 /nfs/dbraw/zinc/21/53/61/1119215361.db2.gz OJPVGHUBKSKDMB-UHFFFAOYSA-N -1 3 361.316 4.042 20 0 FIADHM CC[C@@H](c1nnc([N-]C(=O)c2cc(OC)cs2)s1)c1ccccc1 ZINC000176785819 1119294320 /nfs/dbraw/zinc/29/43/20/1119294320.db2.gz FKGKWEWATHKYPS-CYBMUJFWSA-N -1 3 359.476 4.402 20 0 FIADHM CCSc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000493911418 1119505721 /nfs/dbraw/zinc/50/57/21/1119505721.db2.gz PCLPLSWBRUPOOT-UHFFFAOYSA-N -1 3 366.280 4.197 20 0 FIADHM C[C@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1cnccn1 ZINC000185535881 1119670460 /nfs/dbraw/zinc/67/04/60/1119670460.db2.gz KACXEPBJBGPZKR-JTQLQIEISA-N -1 3 370.459 4.029 20 0 FIADHM Cc1nc(S(=O)(=O)[C@@H](C)c2ncc(C(C)(C)C)o2)[n-]c1-c1ccccc1 ZINC000186841675 1119752558 /nfs/dbraw/zinc/75/25/58/1119752558.db2.gz OQAYNXAHVMWUPF-ZDUSSCGKSA-N -1 3 373.478 4.206 20 0 FIADHM CC(C)COc1ccc(C(C)(C)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000494550476 1119901596 /nfs/dbraw/zinc/90/15/96/1119901596.db2.gz VTAGNTRHJCOWRS-UHFFFAOYSA-N -1 3 359.441 4.160 20 0 FIADHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cc(F)ccc1F ZINC000191845843 1119998560 /nfs/dbraw/zinc/99/85/60/1119998560.db2.gz CCFNEUPRFLGTPW-UHFFFAOYSA-N -1 3 357.341 4.482 20 0 FIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)cc3Cl)c2)n1 ZINC000192318807 1120053627 /nfs/dbraw/zinc/05/36/27/1120053627.db2.gz YVCWCXLBKUSSGT-UHFFFAOYSA-N -1 3 367.836 4.213 20 0 FIADHM Cc1ncc(CN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)c(=O)[n-]1 ZINC000542498205 1120190614 /nfs/dbraw/zinc/19/06/14/1120190614.db2.gz HCRUTOKWTKCDRU-SFHVURJKSA-N -1 3 357.816 4.162 20 0 FIADHM O=c1nc(COc2ccc(F)cc2)[n-]c2scc(-c3ccccc3)c21 ZINC000194138256 1120243329 /nfs/dbraw/zinc/24/33/29/1120243329.db2.gz QYHSSRRVTHAHFO-UHFFFAOYSA-N -1 3 352.390 4.370 20 0 FIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)c(F)cc1Br ZINC000153508685 1120354908 /nfs/dbraw/zinc/35/49/08/1120354908.db2.gz OMJLFSWEDAQYBA-UHFFFAOYSA-N -1 3 362.557 4.339 20 0 FIADHM Cc1nc(C)c(CCC(=O)Nc2ccc(-c3ccccc3)cc2F)c(=O)[n-]1 ZINC000914733650 1120502348 /nfs/dbraw/zinc/50/23/48/1120502348.db2.gz TWOCYGOSMACRLZ-UHFFFAOYSA-N -1 3 365.408 4.176 20 0 FIADHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc4ccsc4[nH]3)nc(=O)c2c1C ZINC000914892416 1120629404 /nfs/dbraw/zinc/62/94/04/1120629404.db2.gz ZRKFJMBFYXTNOE-QMMMGPOBSA-N -1 3 373.459 4.475 20 0 FIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)N1c2ccccc2CC[C@H]1C ZINC000914891884 1120629431 /nfs/dbraw/zinc/62/94/31/1120629431.db2.gz QWGRMLXTNKEHRP-CHWSQXEVSA-N -1 3 368.458 4.143 20 0 FIADHM O=C(Cc1cccc2ccccc21)[N-]OCc1ncccc1C(F)(F)F ZINC000762211994 1120794888 /nfs/dbraw/zinc/79/48/88/1120794888.db2.gz NKGCQJAEQABLEY-UHFFFAOYSA-N -1 3 360.335 4.044 20 0 FIADHM Cc1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)c([O-])c1 ZINC000915151946 1120842361 /nfs/dbraw/zinc/84/23/61/1120842361.db2.gz MGZQUUVJYBWHKL-UHFFFAOYSA-N -1 3 360.385 4.439 20 0 FIADHM O=C(/C=C\c1ccc2ccccc2n1)Nc1ccc(Br)cc1[O-] ZINC000915198479 1120865918 /nfs/dbraw/zinc/86/59/18/1120865918.db2.gz ISFQZGCROWOXTE-NTMALXAHSA-N -1 3 369.218 4.355 20 0 FIADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1Br ZINC000234948783 1120935321 /nfs/dbraw/zinc/93/53/21/1120935321.db2.gz RKDNVOHZJFXVJO-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM O=C(CCCc1ccsc1)[N-]OCc1ccc(F)cc1Br ZINC000781117871 1120992612 /nfs/dbraw/zinc/99/26/12/1120992612.db2.gz AYCCKPTZWBJQOR-UHFFFAOYSA-N -1 3 372.259 4.220 20 0 FIADHM O[C@@H](CSc1nnc([N-]c2ccccc2F)s1)Cc1ccccc1 ZINC000029138228 1121030657 /nfs/dbraw/zinc/03/06/57/1121030657.db2.gz SUNDDXLPJMQIHD-CYBMUJFWSA-N -1 3 361.467 4.117 20 0 FIADHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000032083296 1121100046 /nfs/dbraw/zinc/10/00/46/1121100046.db2.gz YHCVAHOZMBCIHN-UHFFFAOYSA-N -1 3 374.506 4.280 20 0 FIADHM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000036657451 1121131744 /nfs/dbraw/zinc/13/17/44/1121131744.db2.gz MYZPEAJWCRABAD-NSHDSACASA-N -1 3 369.371 4.141 20 0 FIADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1noc(-c2ccccc2)n1 ZINC000784659644 1121162654 /nfs/dbraw/zinc/16/26/54/1121162654.db2.gz UDCRHJJWUJMLKW-MRVPVSSYSA-N -1 3 352.177 4.290 20 0 FIADHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1F ZINC000044029220 1121215377 /nfs/dbraw/zinc/21/53/77/1121215377.db2.gz JATTYTIOZQNZFH-LBPRGKRZSA-N -1 3 366.421 4.101 20 0 FIADHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CCC2)c(F)c1F ZINC001212370271 1121413208 /nfs/dbraw/zinc/41/32/08/1121413208.db2.gz MMTUFTFMSKYPGU-UHFFFAOYSA-N -1 3 371.836 4.284 20 0 FIADHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-]C(=O)c1cc(C)no1 ZINC000061051662 1121506065 /nfs/dbraw/zinc/50/60/65/1121506065.db2.gz KYKRYDJKKAHWBB-UHFFFAOYSA-N -1 3 370.430 4.449 20 0 FIADHM O=C(NCC(c1ccccc1)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000061206092 1121510136 /nfs/dbraw/zinc/51/01/36/1121510136.db2.gz NGRYKQMATRQZSE-UHFFFAOYSA-N -1 3 368.436 4.090 20 0 FIADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000061225789 1121511686 /nfs/dbraw/zinc/51/16/86/1121511686.db2.gz OSXHSJPOLPOGAR-UHFFFAOYSA-N -1 3 366.436 4.500 20 0 FIADHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000063442479 1121564243 /nfs/dbraw/zinc/56/42/43/1121564243.db2.gz AZRAXEJWAMBGGS-UHFFFAOYSA-N -1 3 363.479 4.026 20 0 FIADHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCCC3CCCCC3)cc2)n1 ZINC000064446790 1121614721 /nfs/dbraw/zinc/61/47/21/1121614721.db2.gz ZCIBIUFLJHIXBQ-UHFFFAOYSA-N -1 3 353.466 4.434 20 0 FIADHM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1Cl ZINC000124979201 1121736734 /nfs/dbraw/zinc/73/67/34/1121736734.db2.gz BSDPHEQFGBTJHL-UHFFFAOYSA-N -1 3 372.849 4.109 20 0 FIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1 ZINC000125265106 1121763833 /nfs/dbraw/zinc/76/38/33/1121763833.db2.gz UJQQZGBAOLKWFC-UHFFFAOYSA-N -1 3 359.307 4.120 20 0 FIADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000125350003 1121770980 /nfs/dbraw/zinc/77/09/80/1121770980.db2.gz LNAUFKKTTBJPSY-UHFFFAOYSA-N -1 3 366.436 4.500 20 0 FIADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000916729735 1121832375 /nfs/dbraw/zinc/83/23/75/1121832375.db2.gz FVXIRVOANWYLGT-UHFFFAOYSA-N -1 3 362.470 4.350 20 0 FIADHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)=Cc3ccc(Cl)cc3)nc21 ZINC001127419306 1121861041 /nfs/dbraw/zinc/86/10/41/1121861041.db2.gz OUTXDTHBOTWHHY-ZHACJKMWSA-N -1 3 369.808 4.045 20 0 FIADHM COc1ccc(-c2cc3[n-]c(CN4C[C@@H](C)[C@H](C)C4)nc(=O)c3s2)cc1 ZINC000072873293 1121907949 /nfs/dbraw/zinc/90/79/49/1121907949.db2.gz QLCZMXXTUNBTNO-CHWSQXEVSA-N -1 3 369.490 4.160 20 0 FIADHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nc2ccccc2s1 ZINC000765811836 1122100484 /nfs/dbraw/zinc/10/04/84/1122100484.db2.gz JKNTXEXUEOAUNH-JTQLQIEISA-N -1 3 350.365 4.405 20 0 FIADHM CC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1 ZINC000127540370 1122113838 /nfs/dbraw/zinc/11/38/38/1122113838.db2.gz PKHHAYCYSHQVNC-AWEZNQCLSA-N -1 3 366.230 4.104 20 0 FIADHM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000054701783 1122192251 /nfs/dbraw/zinc/19/22/51/1122192251.db2.gz DNDFLHKWOKZVDS-INIZCTEOSA-N -1 3 367.232 4.294 20 0 FIADHM CC(C)Oc1cc(Br)ccc1C(=O)Nc1cccc([O-])c1F ZINC000128196064 1122203919 /nfs/dbraw/zinc/20/39/19/1122203919.db2.gz SECNAPVFMIIFDR-UHFFFAOYSA-N -1 3 368.202 4.333 20 0 FIADHM Cc1cccc(CO[N-]C(=O)CCOc2ccccc2-c2ccccc2)n1 ZINC001168635092 1122249549 /nfs/dbraw/zinc/24/95/49/1122249549.db2.gz YBXCBXYTQQAKCZ-UHFFFAOYSA-N -1 3 362.429 4.074 20 0 FIADHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186441855 1122317010 /nfs/dbraw/zinc/31/70/10/1122317010.db2.gz IBJNWCQTWKVVLH-GOSISDBHSA-N -1 3 350.245 4.330 20 0 FIADHM O=C(Nc1ccc(C(=O)Nc2cccc([O-])c2F)s1)Nc1ccccc1 ZINC000128540003 1122334922 /nfs/dbraw/zinc/33/49/22/1122334922.db2.gz IUKXVKFWPWHERI-UHFFFAOYSA-N -1 3 371.393 4.489 20 0 FIADHM Cc1ccc(-n2nc(C(=O)Nc3cccc([O-])c3F)c3c2CCC3)c(C)c1 ZINC000128837796 1122429275 /nfs/dbraw/zinc/42/92/75/1122429275.db2.gz YUEKOYNQUASAKF-UHFFFAOYSA-N -1 3 365.408 4.075 20 0 FIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)COc2ccccc2)c1Cl ZINC000917923825 1122481215 /nfs/dbraw/zinc/48/12/15/1122481215.db2.gz VSOHHESUNZHSBB-LBPRGKRZSA-N -1 3 374.289 4.048 20 0 FIADHM CCOc1ccc(NCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1F ZINC000917940732 1122493463 /nfs/dbraw/zinc/49/34/63/1122493463.db2.gz FWQKENCMDZVNEI-UHFFFAOYSA-N -1 3 357.381 4.211 20 0 FIADHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc(C)c1F ZINC000498015143 1122516258 /nfs/dbraw/zinc/51/62/58/1122516258.db2.gz IGNJVURIFKZEKP-UHFFFAOYSA-N -1 3 354.422 4.203 20 0 FIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cscn1 ZINC000129502112 1122616413 /nfs/dbraw/zinc/61/64/13/1122616413.db2.gz JRZJKHCTIPXYRS-UHFFFAOYSA-N -1 3 353.428 4.378 20 0 FIADHM COc1cc(C(=O)Nc2cccc([O-])c2F)cc(Cl)c1OCC(C)C ZINC000129659895 1122659458 /nfs/dbraw/zinc/65/94/58/1122659458.db2.gz BSNXGTQNTCKPRO-UHFFFAOYSA-N -1 3 367.804 4.480 20 0 FIADHM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000498283129 1122680703 /nfs/dbraw/zinc/68/07/03/1122680703.db2.gz PEGHGVGFQKQUAS-QLJPJBMISA-N -1 3 354.233 4.205 20 0 FIADHM O=C(CC1(CCc2ccccc2)CCCC1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000498287576 1122685474 /nfs/dbraw/zinc/68/54/74/1122685474.db2.gz XASOKBDDKIIPGC-UHFFFAOYSA-N -1 3 366.387 4.345 20 0 FIADHM O=C(CC1(CCc2ccccc2)CCCC1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000498287576 1122685476 /nfs/dbraw/zinc/68/54/76/1122685476.db2.gz XASOKBDDKIIPGC-UHFFFAOYSA-N -1 3 366.387 4.345 20 0 FIADHM CCOc1ccc(-c2nc(C(=O)[N-]c3c(C)onc3CC)cs2)cc1 ZINC000132615978 1123303511 /nfs/dbraw/zinc/30/35/11/1123303511.db2.gz MUAMFLOKHUJYEN-UHFFFAOYSA-N -1 3 357.435 4.320 20 0 FIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccccc1COc1ccccc1 ZINC000132774611 1123358692 /nfs/dbraw/zinc/35/86/92/1123358692.db2.gz AYRYXLNYWKRVLM-UHFFFAOYSA-N -1 3 351.377 4.040 20 0 FIADHM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132952391 1123390127 /nfs/dbraw/zinc/39/01/27/1123390127.db2.gz CINVEDAHHVGYBK-LLVKDONJSA-N -1 3 355.331 4.045 20 0 FIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CC2CCC2)cc1 ZINC000074720738 1123394817 /nfs/dbraw/zinc/39/48/17/1123394817.db2.gz IMUUBIAKQGPHTO-UHFFFAOYSA-N -1 3 372.490 4.233 20 0 FIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000133182638 1123442736 /nfs/dbraw/zinc/44/27/36/1123442736.db2.gz XEZFZFZPJLXJMG-UHFFFAOYSA-N -1 3 350.374 4.052 20 0 FIADHM Cc1ccsc1CCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000133615689 1123505156 /nfs/dbraw/zinc/50/51/56/1123505156.db2.gz ICQYNSOXYWYKGM-UHFFFAOYSA-N -1 3 368.296 4.164 20 0 FIADHM CCc1cc2c(CSC[C@H](O)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000921139534 1123569729 /nfs/dbraw/zinc/56/97/29/1123569729.db2.gz JGRJPZZYBFIVSQ-SFHVURJKSA-N -1 3 356.443 4.028 20 0 FIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135505279 1123768527 /nfs/dbraw/zinc/76/85/27/1123768527.db2.gz DSISOYUHGOCCRU-UHFFFAOYSA-N -1 3 371.796 4.263 20 0 FIADHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000616329312 1124288470 /nfs/dbraw/zinc/28/84/70/1124288470.db2.gz WBZUFCIXXHJPEG-QUCCMNQESA-N -1 3 366.461 4.149 20 0 FIADHM Cc1ccc(SC2CCCC2)c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000616824841 1124388160 /nfs/dbraw/zinc/38/81/60/1124388160.db2.gz OYWQASDLWBNSDK-KRWDZBQOSA-N -1 3 371.506 4.279 20 0 FIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)NC(C)C ZINC000108762599 1124390687 /nfs/dbraw/zinc/39/06/87/1124390687.db2.gz SCXIUWYEDZNCDN-UHFFFAOYSA-N -1 3 374.506 4.057 20 0 FIADHM Cc1nc2cc(F)cc(C(=O)[N-]c3nnc(CCC(C)C)s3)c2nc1C ZINC000617097517 1124444653 /nfs/dbraw/zinc/44/46/53/1124444653.db2.gz ZBRXNOLGPMSMTN-UHFFFAOYSA-N -1 3 373.457 4.078 20 0 FIADHM COc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000084730377 1124598005 /nfs/dbraw/zinc/59/80/05/1124598005.db2.gz IKZYIONYYZVWLZ-UHFFFAOYSA-N -1 3 356.603 4.069 20 0 FIADHM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(Br)ccc1[O-] ZINC000085590681 1124732609 /nfs/dbraw/zinc/73/26/09/1124732609.db2.gz DVXOAMFRARWAGS-NSHDSACASA-N -1 3 364.239 4.296 20 0 FIADHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc(Cl)cc(Cl)n1 ZINC000181208154 1124743245 /nfs/dbraw/zinc/74/32/45/1124743245.db2.gz KKZXMYUEVXDDFK-UHFFFAOYSA-N -1 3 357.247 4.221 20 0 FIADHM O=C(NCCCCOc1ccc(Cl)cc1)c1cc([O-])ccc1Cl ZINC000564391231 1124830813 /nfs/dbraw/zinc/83/08/13/1124830813.db2.gz ZBCREVWDWAOMJI-UHFFFAOYSA-N -1 3 354.233 4.288 20 0 FIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1 ZINC000007050716 1124858586 /nfs/dbraw/zinc/85/85/86/1124858586.db2.gz IFPYHPPLTDQNEB-CYBMUJFWSA-N -1 3 363.479 4.327 20 0 FIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1 ZINC000007054666 1124859620 /nfs/dbraw/zinc/85/96/20/1124859620.db2.gz BUUHXGFYUHCRPG-AWEZNQCLSA-N -1 3 361.463 4.162 20 0 FIADHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c1C ZINC000016121988 220178938 /nfs/dbraw/zinc/17/89/38/220178938.db2.gz STYMJTNSWOBSIK-UHFFFAOYSA-N -1 3 374.506 4.316 20 0 FIADHM CCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3[O-])s2)cc1 ZINC000071887598 221385631 /nfs/dbraw/zinc/38/56/31/221385631.db2.gz AMCLVUWFEXUQOQ-UHFFFAOYSA-N -1 3 354.431 4.475 20 0 FIADHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)c1nc2ccccc2n1C(F)F ZINC000097575629 222193824 /nfs/dbraw/zinc/19/38/24/222193824.db2.gz NPFOSLFGJCBZEE-SNVBAGLBSA-N -1 3 372.404 4.465 20 0 FIADHM COc1cc(-c2nc(-c3c(Cl)cccc3Cl)no2)cc(OC)c1[O-] ZINC000186099800 567876290 /nfs/dbraw/zinc/87/62/90/567876290.db2.gz KDKXRKMDKVFDMN-UHFFFAOYSA-N -1 3 367.188 4.433 20 0 FIADHM Cc1c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000186266013 567895598 /nfs/dbraw/zinc/89/55/98/567895598.db2.gz NXZCWMLMLIDEEV-GFCCVEGCSA-N -1 3 366.461 4.338 20 0 FIADHM O=S(=O)([N-][C@@H]1CSc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000522758300 568053346 /nfs/dbraw/zinc/05/33/46/568053346.db2.gz RGXSHZFGPPOIMZ-CYBMUJFWSA-N -1 3 360.287 4.119 20 0 FIADHM [O-]c1c(Br)cc(CNCc2ccccc2)cc1Br ZINC000218357073 568229853 /nfs/dbraw/zinc/22/98/53/568229853.db2.gz DRSSJSWJEDPNQT-UHFFFAOYSA-N -1 3 371.072 4.207 20 0 FIADHM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000604266846 568241372 /nfs/dbraw/zinc/24/13/72/568241372.db2.gz YQNVAEYAOFTSBG-MRXNPFEDSA-N -1 3 363.461 4.343 20 0 FIADHM O=S(=O)([N-][C@H](Cc1ccccc1)c1cccs1)c1ccccc1F ZINC000604889920 568381665 /nfs/dbraw/zinc/38/16/65/568381665.db2.gz GOJLNAHUYJHEMY-MRXNPFEDSA-N -1 3 361.463 4.150 20 0 FIADHM Cc1cc(Cl)cc(NC(=O)COc2ccc(Br)cc2)c1[O-] ZINC000604901797 568384966 /nfs/dbraw/zinc/38/49/66/568384966.db2.gz OAXVJLRGFXNABH-UHFFFAOYSA-N -1 3 370.630 4.134 20 0 FIADHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(Cl)c1Cl ZINC000605164224 568592920 /nfs/dbraw/zinc/59/29/20/568592920.db2.gz QQFOIBLVGPLAQU-QMMMGPOBSA-N -1 3 366.216 4.311 20 0 FIADHM