smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)C ZINC001316386670 1066157550 /nfs/dbraw/zinc/15/75/50/1066157550.db2.gz CZDKTEAKZWGSJC-NRFANRHFSA-N -1 3 483.638 4.292 20 0 JIADHM CCOc1cc([C@@H]2NC(=S)N(c3ccc(F)cc3)C(C)=C2C(=O)N(C)C)cc(Cl)c1[O-] ZINC001337046926 1066455620 /nfs/dbraw/zinc/45/56/20/1066455620.db2.gz LPDGXZYLCFVNJU-IBGZPJMESA-N -1 3 463.962 4.381 20 0 JIADHM COc1ccc(COC(=O)[C@H](CCSC)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001342597247 1066598843 /nfs/dbraw/zinc/59/88/43/1066598843.db2.gz JKMGXYWMXIVATJ-KRWDZBQOSA-N -1 3 478.419 4.145 20 0 JIADHM Cc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ccc1N1CCN(C)CC1 ZINC001317787451 1066688500 /nfs/dbraw/zinc/68/85/00/1066688500.db2.gz MVVLRVOKTFWQBA-UHFFFAOYSA-N -1 3 499.036 4.453 20 0 JIADHM Cc1nc[n-]c(=O)c1CCC(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC001317838752 1066723511 /nfs/dbraw/zinc/72/35/11/1066723511.db2.gz QJCRUWWFDNUTRB-UHFFFAOYSA-N -1 3 457.939 4.410 20 0 JIADHM O=C(NC[C@@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC001317961575 1066814454 /nfs/dbraw/zinc/81/44/54/1066814454.db2.gz WULCFGOGSOBLLP-NSHDSACASA-N -1 3 463.770 4.214 20 0 JIADHM COC(=O)c1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC001351147622 1067053042 /nfs/dbraw/zinc/05/30/42/1067053042.db2.gz PXNUXKOWCDGXSE-UHFFFAOYSA-N -1 3 452.532 4.072 20 0 JIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3CN3CCCC3=O)c2)cc1 ZINC001320258341 1067088132 /nfs/dbraw/zinc/08/81/32/1067088132.db2.gz PDBSWIWLWDDOIH-UHFFFAOYSA-N -1 3 493.585 4.179 20 0 JIADHM CCCc1[nH]ncc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001320673700 1067091392 /nfs/dbraw/zinc/09/13/92/1067091392.db2.gz UEXYQWXVBAXJPT-UHFFFAOYSA-N -1 3 477.384 4.486 20 0 JIADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NC2(COC)CCCC2)c(Cl)cc1Cl ZINC001300727934 1067143383 /nfs/dbraw/zinc/14/33/83/1067143383.db2.gz SVKIMYGCFRNJCH-CYBMUJFWSA-N -1 3 451.416 4.149 20 0 JIADHM COc1ccccc1-c1noc([C@H](C)[N-]C(=O)C(F)(F)c2cccc(Br)c2)n1 ZINC001354833488 1067161892 /nfs/dbraw/zinc/16/18/92/1067161892.db2.gz AEIHGLKJJNRJJG-NSHDSACASA-N -1 3 452.255 4.477 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cnn(Cc4cccnc4)c3)c2)cc1 ZINC001322236197 1067265487 /nfs/dbraw/zinc/26/54/87/1067265487.db2.gz MAJQLRKEQYZMAP-UHFFFAOYSA-N -1 3 491.573 4.087 20 0 JIADHM COc1ccc(-c2nnc(N3CCC(C[N-]C(=O)C(F)(F)F)CC3)n2CCC2(C)CC2)cc1OC ZINC001300040424 1067461982 /nfs/dbraw/zinc/46/19/82/1067461982.db2.gz OWQNDVFBSVOFSG-UHFFFAOYSA-N -1 3 495.546 4.047 20 0 JIADHM C[C@@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC001356606432 1067788590 /nfs/dbraw/zinc/78/85/90/1067788590.db2.gz YKFBTGVLDWTOQL-OAHLLOKOSA-N -1 3 451.498 4.453 20 0 JIADHM COc1ncc(Br)cc1CSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001473062445 1067800072 /nfs/dbraw/zinc/80/00/72/1067800072.db2.gz MMMNLYATNZKAAJ-UHFFFAOYSA-N -1 3 458.341 4.039 20 0 JIADHM CCc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)sc1-c1ccccc1 ZINC001357258551 1067826937 /nfs/dbraw/zinc/82/69/37/1067826937.db2.gz LSDMEMPSLATRGM-UHFFFAOYSA-N -1 3 455.026 4.401 20 0 JIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3sc(-c4ccc(OC)c(OC)c4)nc3C)nc21 ZINC001357295474 1067831544 /nfs/dbraw/zinc/83/15/44/1067831544.db2.gz LPXKWXINCQJNNZ-UHFFFAOYSA-N -1 3 452.492 4.051 20 0 JIADHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1nc(Br)ccc1Br ZINC001357371706 1067840332 /nfs/dbraw/zinc/84/03/32/1067840332.db2.gz AWLJAEVEDQIOAR-UHFFFAOYSA-N -1 3 457.513 4.297 20 0 JIADHM NC(=O)CSc1ccccc1[N-]C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC001353452328 1068143602 /nfs/dbraw/zinc/14/36/02/1068143602.db2.gz SJCAUUFORCOEPB-UHFFFAOYSA-N -1 3 450.289 4.073 20 0 JIADHM Cc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)c[nH]3)s2)c(C)c1 ZINC000520450430 1068323398 /nfs/dbraw/zinc/32/33/98/1068323398.db2.gz GLZRAXJYICWENG-UHFFFAOYSA-N -1 3 471.539 4.342 20 0 JIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cccc4scnc43)c2)cc1 ZINC001353590299 1068354564 /nfs/dbraw/zinc/35/45/64/1068354564.db2.gz CTBIGDYAFNPOKQ-UHFFFAOYSA-N -1 3 453.545 4.036 20 0 JIADHM COc1cc(NC(=S)Nc2cc(I)ccc2[O-])c(OC)cc1Cl ZINC001200544130 1068863250 /nfs/dbraw/zinc/86/32/50/1068863250.db2.gz PVHKPENIQFPUJQ-UHFFFAOYSA-N -1 3 464.712 4.476 20 0 JIADHM COc1ccccc1[C@H](C)N(OC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001300518104 1068904338 /nfs/dbraw/zinc/90/43/38/1068904338.db2.gz PXRIYGFJIQJQOY-INIZCTEOSA-N -1 3 458.511 4.400 20 0 JIADHM C[C@@H]1CN(C(F)(F)c2cccc(S(=O)(=O)[N-]c3nc4ccccc4nc3Cl)c2)[C@@H](C)CN1C ZINC001164633351 719237993 /nfs/dbraw/zinc/23/79/93/719237993.db2.gz LEQVMHRDLBPTHE-CABCVRRESA-N -1 3 495.983 4.158 20 0 JIADHM O=C1N(c2cccnc2)CC[C@@]12CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C[C@H]2c1ccccc1 ZINC001164909109 721741278 /nfs/dbraw/zinc/74/12/78/721741278.db2.gz BKZBQFJKUKGYBW-JTSKRJEESA-N -1 3 487.963 4.386 20 0 JIADHM CSc1ccccc1[N-]C(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F ZINC001354585979 1069355229 /nfs/dbraw/zinc/35/52/29/1069355229.db2.gz ANVIDCBDCMBDRU-GFCCVEGCSA-N -1 3 453.515 4.372 20 0 JIADHM CS[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)(C)C ZINC001316391235 1066164554 /nfs/dbraw/zinc/16/45/54/1066164554.db2.gz HPDZSMDJUDNSMZ-GOSISDBHSA-N -1 3 498.619 4.321 20 0 JIADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(N)=O)c(Cl)cc1Cl ZINC001335889070 1066427076 /nfs/dbraw/zinc/42/70/76/1066427076.db2.gz MWGQCOIOQIYKEP-SNVBAGLBSA-N -1 3 492.812 4.465 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(-n4cncn4)cc3)ccc2C)cc1 ZINC001337301564 1066472769 /nfs/dbraw/zinc/47/27/69/1066472769.db2.gz OORQDNPZQKVYAF-UHFFFAOYSA-N -1 3 477.546 4.028 20 0 JIADHM O=C([N-]CC1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@H]2CCCCO2)CC1)C(F)(F)F ZINC001316566546 1066587591 /nfs/dbraw/zinc/58/75/91/1066587591.db2.gz YTXBKJFBRKXGGO-QGZVFWFLSA-N -1 3 499.965 4.453 20 0 JIADHM O=C(Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)c1cccc(CN2CCCC2)c1 ZINC001318138066 1066919103 /nfs/dbraw/zinc/91/91/03/1066919103.db2.gz DDSRWCGCDVUXQX-UHFFFAOYSA-N -1 3 453.408 4.303 20 0 JIADHM CCOC(=O)c1sc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3)n2)c(C(=O)OCC)c1C ZINC001318318574 1067015189 /nfs/dbraw/zinc/01/51/89/1067015189.db2.gz MHVJBACWANBCCK-UHFFFAOYSA-N -1 3 468.535 4.120 20 0 JIADHM C[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001351088174 1067043941 /nfs/dbraw/zinc/04/39/41/1067043941.db2.gz JSVBPMCRWOJKTK-LLVKDONJSA-N -1 3 451.322 4.213 20 0 JIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)ccc1F ZINC001354696331 1067049376 /nfs/dbraw/zinc/04/93/76/1067049376.db2.gz MYPSHTBJEHODAA-JOCHJYFZSA-N -1 3 454.567 4.269 20 0 JIADHM COC(=O)c1cc(C(=O)[N-]c2sc(-c3ccccc3)c(C)c2C(=O)N2CCCCC2)no1 ZINC001351179150 1067057048 /nfs/dbraw/zinc/05/70/48/1067057048.db2.gz IPUZYGPMBNSVMP-UHFFFAOYSA-N -1 3 453.520 4.377 20 0 JIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1OC ZINC001321513776 1067153334 /nfs/dbraw/zinc/15/33/34/1067153334.db2.gz UKCURFNTHHXMCV-UHFFFAOYSA-N -1 3 499.589 4.385 20 0 JIADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)oc2C)c(Br)cc1Cl ZINC001321525424 1067156649 /nfs/dbraw/zinc/15/66/49/1067156649.db2.gz NJGQXGNNZBCSQK-VIFPVBQESA-N -1 3 450.738 4.138 20 0 JIADHM COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ccccc1Cl ZINC001321532729 1067159107 /nfs/dbraw/zinc/15/91/07/1067159107.db2.gz ASDUOQFORFNABX-QGZVFWFLSA-N -1 3 492.764 4.159 20 0 JIADHM COc1cccc(CN(CC(C)C)C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c1 ZINC001355486748 1067486140 /nfs/dbraw/zinc/48/61/40/1067486140.db2.gz AZJNMIDSLBYHKC-UHFFFAOYSA-N -1 3 450.576 4.210 20 0 JIADHM CCOC(Cc1c(=O)[n-]cnc1NC(=S)Nc1ccc(C)cc1Br)OCC ZINC001200140045 1067736370 /nfs/dbraw/zinc/73/63/70/1067736370.db2.gz KEFIFFNIXNGQKA-UHFFFAOYSA-N -1 3 455.378 4.004 20 0 JIADHM CCOC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)[nH]c1C ZINC001356460859 1067756748 /nfs/dbraw/zinc/75/67/48/1067756748.db2.gz LJOPIWVCLWSXDY-UHFFFAOYSA-N -1 3 455.536 4.170 20 0 JIADHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3nnc(NCC(F)(F)F)s3)nc(=O)c2c1C ZINC000489052482 1067832908 /nfs/dbraw/zinc/83/29/08/1067832908.db2.gz JJOVKWRPTMPRKH-SSDOTTSWSA-N -1 3 479.531 4.149 20 0 JIADHM Cc1cccc(Cc2cnc([N-]C(=O)c3sccc3S(=O)(=O)N(C)C)s2)c1Cl ZINC001357817707 1067910792 /nfs/dbraw/zinc/91/07/92/1067910792.db2.gz PYKXKTBZEHGDJG-UHFFFAOYSA-N -1 3 456.014 4.260 20 0 JIADHM CCOC(=O)c1ccc(C(=O)[N-]c2nnc(SCC(=O)Nc3ccc(C)cc3C)s2)nc1C ZINC000603860517 1068143073 /nfs/dbraw/zinc/14/30/73/1068143073.db2.gz JIHGOQGRUDEASB-UHFFFAOYSA-N -1 3 485.591 4.018 20 0 JIADHM Cc1sc2ncn([N-]C(=O)[C@H](C[C@H]3CCCO3)C(F)(F)F)c(=O)c2c1-c1ccccc1 ZINC001354457358 1069233301 /nfs/dbraw/zinc/23/33/01/1069233301.db2.gz IZYSJJOYPLXGRS-CABCVRRESA-N -1 3 451.470 4.251 20 0 JIADHM CN(C)C(=O)CO[C@H]1CCC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)c2ccccc21 ZINC001164629516 719140059 /nfs/dbraw/zinc/14/00/59/719140059.db2.gz BPJYMYXHVQCCMI-KRWDZBQOSA-N -1 3 497.011 4.442 20 0 JIADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164653925 719323415 /nfs/dbraw/zinc/32/34/15/719323415.db2.gz IUEDAOIKIXAPGR-UHFFFAOYSA-N -1 3 478.956 4.107 20 0 JIADHM CN(C)CCN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC001336972843 1066452848 /nfs/dbraw/zinc/45/28/48/1066452848.db2.gz VNQBEXBMDWRUIT-UHFFFAOYSA-N -1 3 456.178 4.121 20 0 JIADHM Cc1csc(CCCNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2Cl)n1 ZINC001338292514 1066543906 /nfs/dbraw/zinc/54/39/06/1066543906.db2.gz BASSLKYAYKHZIM-UHFFFAOYSA-N -1 3 467.975 4.407 20 0 JIADHM O=C([N-]c1nc(-c2ccc(Br)s2)cs1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC001317801056 1066696936 /nfs/dbraw/zinc/69/69/36/1066696936.db2.gz MKSGXHGNTYBEMI-UHFFFAOYSA-N -1 3 488.410 4.264 20 0 JIADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)ccc1F ZINC001317937085 1066796096 /nfs/dbraw/zinc/79/60/96/1066796096.db2.gz XGADXFLPNJIADA-UHFFFAOYSA-N -1 3 461.490 4.481 20 0 JIADHM CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001318390936 1067036905 /nfs/dbraw/zinc/03/69/05/1067036905.db2.gz JVMCCDRYMBVEEY-UHFFFAOYSA-N -1 3 467.494 4.005 20 0 JIADHM COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ccccc1Cl ZINC001321532723 1067159157 /nfs/dbraw/zinc/15/91/57/1067159157.db2.gz ASDUOQFORFNABX-KRWDZBQOSA-N -1 3 492.764 4.159 20 0 JIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)c2)n1 ZINC001321887934 1067222168 /nfs/dbraw/zinc/22/21/68/1067222168.db2.gz GYOVXVPSYGLMCI-UHFFFAOYSA-N -1 3 455.474 4.017 20 0 JIADHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc(SCC(=O)Nc4ccc(C)cc4C)s3)cc12 ZINC000505089340 1067335719 /nfs/dbraw/zinc/33/57/19/1067335719.db2.gz MESCFWXKZVSRDW-UHFFFAOYSA-N -1 3 472.621 4.395 20 0 JIADHM COc1cc(OC)nc(C(=O)[N-]c2sc3c(c2C(=O)c2cccc(C)c2)CC[C@H](C)C3)n1 ZINC001355398400 1067448341 /nfs/dbraw/zinc/44/83/41/1067448341.db2.gz OXLPNXKKKUWUDB-AWEZNQCLSA-N -1 3 451.548 4.472 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3n[nH]c4ccc(F)cc43)ccc2C)cc1 ZINC000476490191 1067799438 /nfs/dbraw/zinc/79/94/38/1067799438.db2.gz GWNZVOYDUHTWIQ-UHFFFAOYSA-N -1 3 468.510 4.462 20 0 JIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccccc3I)c2)n1 ZINC001357281229 1067830212 /nfs/dbraw/zinc/83/02/12/1067830212.db2.gz SWLPIRQEIRFRRX-UHFFFAOYSA-N -1 3 459.287 4.197 20 0 JIADHM COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1F ZINC001358184998 1068039302 /nfs/dbraw/zinc/03/93/02/1068039302.db2.gz BGUOKFDUINZNST-UHFFFAOYSA-N -1 3 456.495 4.282 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccn(Cc4ccncc4)n3)c2)cc1 ZINC000522158521 1068337981 /nfs/dbraw/zinc/33/79/81/1068337981.db2.gz FKGOOXCLUCTHCU-UHFFFAOYSA-N -1 3 491.573 4.087 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccn(Cc4ccncc4)n3)ccc2C)cc1 ZINC000623424026 1068407985 /nfs/dbraw/zinc/40/79/85/1068407985.db2.gz FBRRPAVUPUMQDN-UHFFFAOYSA-N -1 3 491.573 4.087 20 0 JIADHM Cc1ccc(-c2cc(NC(=O)CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)n[nH]2)s1 ZINC000623493281 1068411778 /nfs/dbraw/zinc/41/17/78/1068411778.db2.gz SBJIXQGBDLRBJF-UHFFFAOYSA-N -1 3 459.380 4.061 20 0 JIADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC001353924460 1068757363 /nfs/dbraw/zinc/75/73/63/1068757363.db2.gz ISTGXAHPODZAEO-UHFFFAOYSA-N -1 3 497.930 4.049 20 0 JIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)c2)n1 ZINC001354077852 1068883732 /nfs/dbraw/zinc/88/37/32/1068883732.db2.gz HPGILWGKJKCMOO-UGKGYDQZSA-N -1 3 450.926 4.223 20 0 JIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Br)c(OC)c(OC)c3)c2)n1 ZINC001354532737 1069308399 /nfs/dbraw/zinc/30/83/99/1069308399.db2.gz BECUOHPQDCDJQQ-UHFFFAOYSA-N -1 3 458.312 4.444 20 0 JIADHM C[C@@H]1CN(C)[C@@H](C)CN1C(F)(F)c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Cl)c1 ZINC001164633358 719237682 /nfs/dbraw/zinc/23/76/82/719237682.db2.gz LEQVMHRDLBPTHE-LSDHHAIUSA-N -1 3 495.983 4.158 20 0 JIADHM 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/nfs/dbraw/zinc/08/35/16/1067083516.db2.gz IBVJLFXSBYZPKA-OAQYLSRUSA-N -1 3 463.559 4.193 20 0 JIADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(N(C)C)cc2)c(Cl)cc1Cl ZINC001321214467 1067102494 /nfs/dbraw/zinc/10/24/94/1067102494.db2.gz DPAZRBCZIQHKLZ-HNNXBMFYSA-N -1 3 486.465 4.499 20 0 JIADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)ccc1F ZINC001355217288 1067390674 /nfs/dbraw/zinc/39/06/74/1067390674.db2.gz PLZMMXVDMRXDAZ-UHFFFAOYSA-N -1 3 450.551 4.283 20 0 JIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)ccc1F ZINC001355675384 1067548689 /nfs/dbraw/zinc/54/86/89/1067548689.db2.gz PACADKFZXCNAIE-UHFFFAOYSA-N -1 3 452.979 4.408 20 0 JIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCC2(Sc3ccccc3)CCCC2)ccc1F ZINC001352778129 1067714504 /nfs/dbraw/zinc/71/45/04/1067714504.db2.gz HEWUVRZMPWQNSA-UHFFFAOYSA-N -1 3 450.601 4.347 20 0 JIADHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ncn(Cc2cccc(Br)c2)n1 ZINC000483648096 1067803806 /nfs/dbraw/zinc/80/38/06/1067803806.db2.gz XDDMSLFOOCVWMQ-UHFFFAOYSA-N -1 3 481.354 4.316 20 0 JIADHM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001300165539 1067823935 /nfs/dbraw/zinc/82/39/35/1067823935.db2.gz AZHYPVQGFAZIDT-KRWDZBQOSA-N -1 3 455.885 4.215 20 0 JIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(-c4cccc(C(F)(F)F)c4)nn3)c2)n1 ZINC001357280904 1067829946 /nfs/dbraw/zinc/82/99/46/1067829946.db2.gz OGTZKBGYBYQKJA-UHFFFAOYSA-N -1 3 454.412 4.263 20 0 JIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)cc1 ZINC000521389202 1068332743 /nfs/dbraw/zinc/33/27/43/1068332743.db2.gz OPGQJWYSAKSVLJ-UHFFFAOYSA-N -1 3 476.558 4.302 20 0 JIADHM COc1cc(S(=O)(=O)[N-]c2ccc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)cc2)ccc1F ZINC001200559317 1068890045 /nfs/dbraw/zinc/89/00/45/1068890045.db2.gz LIEIQIQGLZCLPX-KRWDZBQOSA-N -1 3 479.574 4.129 20 0 JIADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164801983 721604041 /nfs/dbraw/zinc/60/40/41/721604041.db2.gz QZGTWOJBDGRDCW-CQSZACIVSA-N -1 3 456.946 4.061 20 0 JIADHM CCc1ccc([C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2cccc(F)c2)cc1 ZINC001337445949 1066483874 /nfs/dbraw/zinc/48/38/74/1066483874.db2.gz FRSOAFKRAIFXIU-VWLOTQADSA-N -1 3 461.537 4.351 20 0 JIADHM COc1ccc(-c2cc(NC(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)ccc2OC)cc1 ZINC001337502451 1066487275 /nfs/dbraw/zinc/48/72/75/1066487275.db2.gz GGLJRGWXHYJGGT-UHFFFAOYSA-N -1 3 461.518 4.066 20 0 JIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC001339248295 1066573782 /nfs/dbraw/zinc/57/37/82/1066573782.db2.gz QHDDCZIZCFDTFV-UHFFFAOYSA-N -1 3 470.194 4.183 20 0 JIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC001339248295 1066573800 /nfs/dbraw/zinc/57/38/00/1066573800.db2.gz QHDDCZIZCFDTFV-UHFFFAOYSA-N -1 3 470.194 4.183 20 0 JIADHM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[N-]c3ncn(Cc4cccnc4)n3)cc12 ZINC001318093985 1066896026 /nfs/dbraw/zinc/89/60/26/1066896026.db2.gz BDTRXWFZYKSHLC-UHFFFAOYSA-N -1 3 463.954 4.395 20 0 JIADHM COc1cc(Br)c(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1OC ZINC001318132468 1066915523 /nfs/dbraw/zinc/91/55/23/1066915523.db2.gz JQCIUXNXQXHREG-UHFFFAOYSA-N -1 3 455.305 4.197 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCc3nc(C)cs3)c2)cc1 ZINC001318166003 1066933845 /nfs/dbraw/zinc/93/38/45/1066933845.db2.gz JHXFEHFAYXIJIR-UHFFFAOYSA-N -1 3 473.620 4.322 20 0 JIADHM Cc1ccc(C(=O)Nc2ccc(CCC(N)=O)cc2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001318218969 1066967394 /nfs/dbraw/zinc/96/73/94/1066967394.db2.gz SHOFEFDQINEHSX-UHFFFAOYSA-N -1 3 489.956 4.259 20 0 JIADHM Cc1cnn(CC2CC2)c1NC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(Cl)cc1Cl ZINC001318276056 1066997490 /nfs/dbraw/zinc/99/74/90/1066997490.db2.gz FWMUUSWXGAGSRQ-UHFFFAOYSA-N -1 3 494.404 4.034 20 0 JIADHM Cc1ccc(C(=O)Nc2ccn(Cc3ccncc3)n2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000500262458 1067241085 /nfs/dbraw/zinc/24/10/85/1067241085.db2.gz ZAHIEKIQHYEKRK-UHFFFAOYSA-N -1 3 499.955 4.480 20 0 JIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC001200813943 1067269812 /nfs/dbraw/zinc/26/98/12/1067269812.db2.gz SJTWTWHMMSNQGR-IBGZPJMESA-N -1 3 459.930 4.096 20 0 JIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccn(CC(C)C)c2=O)cc1 ZINC001355081265 1067370458 /nfs/dbraw/zinc/37/04/58/1067370458.db2.gz HHTBRIQHAALRRX-UHFFFAOYSA-N -1 3 453.564 4.174 20 0 JIADHM COC(=O)c1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC001355504932 1067493313 /nfs/dbraw/zinc/49/33/13/1067493313.db2.gz HMMDSNCRQARHRY-UHFFFAOYSA-N -1 3 452.532 4.452 20 0 JIADHM Cc1ccc(Sc2ncccc2C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)cc1C ZINC001355659945 1067544718 /nfs/dbraw/zinc/54/47/18/1067544718.db2.gz LRHJHXQXVCHQPN-UHFFFAOYSA-N -1 3 459.568 4.290 20 0 JIADHM COc1ccc(CCn2c(CC(C)(C)C)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001300151581 1067807794 /nfs/dbraw/zinc/80/77/94/1067807794.db2.gz UMIXFWCDFOXGPK-UHFFFAOYSA-N -1 3 481.563 4.013 20 0 JIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Br)cc3Br)nc21 ZINC001357297016 1067831734 /nfs/dbraw/zinc/83/17/34/1067831734.db2.gz ZRHVORZTYZXCJM-UHFFFAOYSA-N -1 3 453.090 4.127 20 0 JIADHM CCO[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001300319033 1068224173 /nfs/dbraw/zinc/22/41/73/1068224173.db2.gz NJMQTRPFSAFRHI-ZJSXRUAMSA-N -1 3 468.594 4.179 20 0 JIADHM O=C(Nc1nnc(SCc2cccs2)s1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000516359703 1068276420 /nfs/dbraw/zinc/27/64/20/1068276420.db2.gz PHHMWGJPYDQIBG-UHFFFAOYSA-N -1 3 495.608 4.412 20 0 JIADHM Cc1ccccc1C(=O)NC1CCN(C(=O)CSc2nnc([N-]c3ccccc3F)s2)CC1 ZINC000613878293 1068300882 /nfs/dbraw/zinc/30/08/82/1068300882.db2.gz PIFYTNJXIOGALR-UHFFFAOYSA-N -1 3 485.610 4.242 20 0 JIADHM COc1cc(S(=O)(=O)[N-]c2cc(I)c(Cl)cc2F)ccc1F ZINC001200472980 1068683192 /nfs/dbraw/zinc/68/31/92/1068683192.db2.gz NVQOPPCWUVIVCU-UHFFFAOYSA-N -1 3 459.639 4.032 20 0 JIADHM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2cc(F)ccc2SCC(F)F)c1 ZINC001354163752 1068942678 /nfs/dbraw/zinc/94/26/78/1068942678.db2.gz FBTDAEDJMXOWEE-UHFFFAOYSA-N -1 3 452.907 4.339 20 0 JIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Br)cc4c3OCCO4)c2)n1 ZINC001354533416 1069308894 /nfs/dbraw/zinc/30/88/94/1069308894.db2.gz MQTUZLLUWVLPCX-UHFFFAOYSA-N -1 3 456.296 4.198 20 0 JIADHM COc1cccc(NC(=O)c2nc3c(s2)CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC3)c1 ZINC001164712862 720089084 /nfs/dbraw/zinc/08/90/84/720089084.db2.gz RRVVVMGZKILGML-UHFFFAOYSA-N -1 3 497.980 4.286 20 0 JIADHM Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C3)n1 ZINC001164959799 722027104 /nfs/dbraw/zinc/02/71/04/722027104.db2.gz IPXOTDISOWNLLE-FXAWDEMLSA-N -1 3 470.973 4.259 20 0 JIADHM CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCOC1CCCCCC1 ZINC001359537991 1069833459 /nfs/dbraw/zinc/83/34/59/1069833459.db2.gz YQRSWGCPBJRCIV-UHFFFAOYSA-N -1 3 483.657 4.274 20 0 JIADHM Cc1csc(CCC[N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)n1 ZINC001325705936 1066265292 /nfs/dbraw/zinc/26/52/92/1066265292.db2.gz RGMUQDRSGGJTLN-UHFFFAOYSA-N -1 3 458.428 4.249 20 0 JIADHM CSCC[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001326604811 1066302102 /nfs/dbraw/zinc/30/21/02/1066302102.db2.gz OQAZPBBSOFNWKN-CQSZACIVSA-N -1 3 469.897 4.155 20 0 JIADHM C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001475265911 1066308218 /nfs/dbraw/zinc/30/82/18/1066308218.db2.gz KADKJBFYUTZYDS-KZULUSFZSA-N -1 3 452.404 4.140 20 0 JIADHM Cc1nc(S(=O)(=O)[N-][C@@H](C)CCCCNC(=O)OC(C)(C)C)c(-c2ccccc2)s1 ZINC001475350652 1066350094 /nfs/dbraw/zinc/35/00/94/1066350094.db2.gz RMUSFDPPCWVVHC-HNNXBMFYSA-N -1 3 453.630 4.480 20 0 JIADHM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[N-]c3ncn(Cc4cccnc4)n3)cc12 ZINC001338104557 1066530870 /nfs/dbraw/zinc/53/08/70/1066530870.db2.gz QMBHKDABCJOCIU-UHFFFAOYSA-N -1 3 463.954 4.395 20 0 JIADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC001338311783 1066545879 /nfs/dbraw/zinc/54/58/79/1066545879.db2.gz QWWBBVQDRURQKP-XMMPIXPASA-N -1 3 493.560 4.215 20 0 JIADHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC001338447614 1066556109 /nfs/dbraw/zinc/55/61/09/1066556109.db2.gz RQDQVVVJMVATBR-UHFFFAOYSA-N -1 3 455.440 4.479 20 0 JIADHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]Cc1cccc(OCC(F)(F)F)c1 ZINC001338710012 1066567679 /nfs/dbraw/zinc/56/76/79/1066567679.db2.gz KPENODSBPSGGHT-UHFFFAOYSA-N -1 3 472.254 4.016 20 0 JIADHM O=C([N-]CC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCOC(F)F)CC1)C(F)(F)F ZINC001316566188 1066586999 /nfs/dbraw/zinc/58/69/99/1066586999.db2.gz WYLQFKIDXUCLNF-UHFFFAOYSA-N -1 3 495.880 4.123 20 0 JIADHM COc1ccc(COC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC001342597253 1066598900 /nfs/dbraw/zinc/59/89/00/1066598900.db2.gz JKMGXYWMXIVATJ-QGZVFWFLSA-N -1 3 478.419 4.145 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cn4c(cccc4C)n3)c2)cc1 ZINC001317737791 1066658514 /nfs/dbraw/zinc/65/85/14/1066658514.db2.gz MGUICBCNVDNIRD-UHFFFAOYSA-N -1 3 480.546 4.103 20 0 JIADHM Cc1cc(C)c(-c2cc(NC(=O)COC(=O)CCc3c(C)nc[n-]c3=O)n(-c3ccccc3)n2)cc1C ZINC001317838620 1066723529 /nfs/dbraw/zinc/72/35/29/1066723529.db2.gz QISPDQJWZBWPBB-UHFFFAOYSA-N -1 3 499.571 4.383 20 0 JIADHM CCc1ccc([C@H](NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c2cccc(F)c2)cc1 ZINC001317898701 1066768692 /nfs/dbraw/zinc/76/86/92/1066768692.db2.gz GMVOSJUKKAVZSN-VWLOTQADSA-N -1 3 461.537 4.351 20 0 JIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H](C)COc1ccccc1F ZINC001317957316 1066810643 /nfs/dbraw/zinc/81/06/43/1066810643.db2.gz HZZULHNXWZYRSG-MRXNPFEDSA-N -1 3 460.502 4.271 20 0 JIADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n3c2CCCCC3)cc1OC ZINC001317980930 1066829830 /nfs/dbraw/zinc/82/98/30/1066829830.db2.gz STMFBFICNRNNJP-UHFFFAOYSA-N -1 3 486.569 4.438 20 0 JIADHM O=C([N-]c1nc(-c2c[nH]c3ccccc32)cs1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC001318018868 1066854959 /nfs/dbraw/zinc/85/49/59/1066854959.db2.gz HLUXHEXCGNONMJ-UHFFFAOYSA-N -1 3 490.657 4.343 20 0 JIADHM Cc1cnn(CC2CC2)c1NC(=O)c1cc(S(=O)(=O)[N-]Cc2cccnc2)c(Cl)cc1Cl ZINC001318258886 1066987744 /nfs/dbraw/zinc/98/77/44/1066987744.db2.gz YYVGBYPYMLABAH-UHFFFAOYSA-N -1 3 494.404 4.034 20 0 JIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(N4CCOC4=O)ccc3F)c2)cc1 ZINC001319887637 1067080001 /nfs/dbraw/zinc/08/00/01/1067080001.db2.gz CCJCJOMSRKSHEM-UHFFFAOYSA-N -1 3 499.520 4.152 20 0 JIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C(C)(C)C)nn3C)c2)cc1 ZINC001322136881 1067255876 /nfs/dbraw/zinc/25/58/76/1067255876.db2.gz MQEVCWGKBPWJDC-UHFFFAOYSA-N -1 3 456.568 4.088 20 0 JIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1 ZINC001355082055 1067370599 /nfs/dbraw/zinc/37/05/99/1067370599.db2.gz NZPKILPAPFITMS-UHFFFAOYSA-N -1 3 452.458 4.109 20 0 JIADHM Cc1c(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)nnn1CCOc1ccc(F)cc1 ZINC001357162726 1067812613 /nfs/dbraw/zinc/81/26/13/1067812613.db2.gz DBIDBTVBWFSTQD-UHFFFAOYSA-N -1 3 458.906 4.229 20 0 JIADHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Br)c(OC(F)(F)F)c3)nc21 ZINC001357294014 1067831252 /nfs/dbraw/zinc/83/12/52/1067831252.db2.gz CPSHUPRHRWVAFB-UHFFFAOYSA-N -1 3 458.190 4.263 20 0 JIADHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1c(Cl)ccc(I)c1F ZINC001357372722 1067841080 /nfs/dbraw/zinc/84/10/80/1067841080.db2.gz UANRVEYGCNJVAS-UHFFFAOYSA-N -1 3 451.026 4.032 20 0 JIADHM CNC(=O)N[C@@H]1CC2(CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC2)c2ccc(C)cc21 ZINC001164899369 721492602 /nfs/dbraw/zinc/49/26/02/721492602.db2.gz KCYLNFRFJVCBCA-OAHLLOKOSA-N -1 3 467.973 4.184 20 0 JIADHM COC1CCC(Cn2c(-c3ccccc3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC001315681726 1064927146 /nfs/dbraw/zinc/92/71/46/1064927146.db2.gz XEEUCEFPCQFRDS-UHFFFAOYSA-N -1 3 479.547 4.045 20 0 JIADHM CS[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)(C)C ZINC001316396190 1066173112 /nfs/dbraw/zinc/17/31/12/1066173112.db2.gz SBEGEBQSUXFKHN-NRFANRHFSA-N -1 3 499.706 4.376 20 0 JIADHM CCc1ncc(S(=O)(=O)[N-][C@H](Cc2ccccn2)c2ccc(Br)cc2)s1 ZINC001475216868 1066258921 /nfs/dbraw/zinc/25/89/21/1066258921.db2.gz OZOCCGCSFCHDHM-MRXNPFEDSA-N -1 3 452.399 4.125 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3nc(C)cs3)ccc2C)cc1 ZINC001325686559 1066263235 /nfs/dbraw/zinc/26/32/35/1066263235.db2.gz OERPDFSBPICCCN-UHFFFAOYSA-N -1 3 473.620 4.322 20 0 JIADHM C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001475265914 1066308075 /nfs/dbraw/zinc/30/80/75/1066308075.db2.gz KADKJBFYUTZYDS-XIKOKIGWSA-N -1 3 452.404 4.140 20 0 JIADHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)N1CCCC[C@H]1CO ZINC001337298357 1066472917 /nfs/dbraw/zinc/47/29/17/1066472917.db2.gz OAXOPVWIIUDDNP-AWEZNQCLSA-N -1 3 477.797 4.435 20 0 JIADHM COc1cc(-c2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c3ccccc3n2)cc(OC)c1OC ZINC001340948442 1066583619 /nfs/dbraw/zinc/58/36/19/1066583619.db2.gz SULZVTAGBMIIJW-UHFFFAOYSA-N -1 3 473.411 4.317 20 0 JIADHM COc1cc(-c2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c3ccccc3n2)cc(OC)c1OC ZINC001340948442 1066583631 /nfs/dbraw/zinc/58/36/31/1066583631.db2.gz SULZVTAGBMIIJW-UHFFFAOYSA-N -1 3 473.411 4.317 20 0 JIADHM CCOc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2C)cc1OC ZINC001317690379 1066631231 /nfs/dbraw/zinc/63/12/31/1066631231.db2.gz MYAFZYCJZPLOEU-UHFFFAOYSA-N -1 3 498.601 4.484 20 0 JIADHM Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)CCc4c(C)nc[n-]c4=O)cc3)sc2c1 ZINC001317836525 1066721796 /nfs/dbraw/zinc/72/17/96/1066721796.db2.gz WXVBBCIKEFUFKW-UHFFFAOYSA-N -1 3 462.531 4.190 20 0 JIADHM O=C(NC[C@H]1CCOC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC001317961574 1066814431 /nfs/dbraw/zinc/81/44/31/1066814431.db2.gz WULCFGOGSOBLLP-LLVKDONJSA-N -1 3 463.770 4.214 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)n3ccnc3)cc2)cc1Br ZINC001317998139 1066841370 /nfs/dbraw/zinc/84/13/70/1066841370.db2.gz KIRAPDBIVUMXBR-AWEZNQCLSA-N -1 3 493.383 4.045 20 0 JIADHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc(Cl)cc(F)c2Br)s1 ZINC001349941046 1066899348 /nfs/dbraw/zinc/89/93/48/1066899348.db2.gz QTLIGYXJQGMLFU-UHFFFAOYSA-N -1 3 454.730 4.001 20 0 JIADHM CCCCOC(=O)c1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC001350012099 1066905072 /nfs/dbraw/zinc/90/50/72/1066905072.db2.gz XPRUKCQRSXSBAP-UHFFFAOYSA-N -1 3 451.516 4.079 20 0 JIADHM COc1cccc(N2CCC([N-]S(=O)(=O)c3ccc(Br)cc3C(F)(F)F)CC2)c1 ZINC001318135361 1066917370 /nfs/dbraw/zinc/91/73/70/1066917370.db2.gz JCWFKOPUIOEQFC-UHFFFAOYSA-N -1 3 493.345 4.424 20 0 JIADHM COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1OC ZINC001318270669 1066994872 /nfs/dbraw/zinc/99/48/72/1066994872.db2.gz DMQBFUSRXDPGIM-UHFFFAOYSA-N -1 3 456.462 4.187 20 0 JIADHM Cc1cn2cc(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)nc2s1 ZINC001351148079 1067053110 /nfs/dbraw/zinc/05/31/10/1067053110.db2.gz WNIASMORKGUPAW-UHFFFAOYSA-N -1 3 454.577 4.303 20 0 JIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(N4CCOC4=O)ccc3F)ccc2C)cc1 ZINC001319889202 1067080522 /nfs/dbraw/zinc/08/05/22/1067080522.db2.gz WCJXGPDUUNGZJY-UHFFFAOYSA-N -1 3 499.520 4.152 20 0 JIADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3cccnc3)c2)c(Cl)cc1Cl ZINC001321140067 1067099304 /nfs/dbraw/zinc/09/93/04/1067099304.db2.gz PZAAZEFXTDQIOR-CQSZACIVSA-N -1 3 496.420 4.352 20 0 JIADHM COc1cccc([C@@H](OC)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC001355504890 1067493261 /nfs/dbraw/zinc/49/32/61/1067493261.db2.gz HBANZTZIPPIKJZ-HSZRJFAPSA-N -1 3 454.548 4.439 20 0 JIADHM CC(C)COc1ccc(C(C)(C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)cc1 ZINC001353012103 1067833340 /nfs/dbraw/zinc/83/33/40/1067833340.db2.gz VVYZIOZACZYPFD-UHFFFAOYSA-N -1 3 450.576 4.212 20 0 JIADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C3CC3)nn2)c(Cl)cc1Cl ZINC001353244706 1067946713 /nfs/dbraw/zinc/94/67/13/1067946713.db2.gz ACYYONXVTNZVGK-NSHDSACASA-N -1 3 457.383 4.380 20 0 JIADHM CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCN(C)CC1 ZINC001200309657 1068039722 /nfs/dbraw/zinc/03/97/22/1068039722.db2.gz CHLNTTDGLQAIJB-UHFFFAOYSA-N -1 3 463.619 4.465 20 0 JIADHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3OC)n2)nn1-c1c(Cl)cccc1Cl ZINC000499653215 1068234721 /nfs/dbraw/zinc/23/47/21/1068234721.db2.gz AHZGKVUYNQBMSG-UHFFFAOYSA-N -1 3 458.309 4.183 20 0 JIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(-c4ccccc4)[nH]n3)c2)cc1 ZINC000519067614 1068313382 /nfs/dbraw/zinc/31/33/82/1068313382.db2.gz HHKFXJGLJKKSQV-UHFFFAOYSA-N -1 3 462.531 4.447 20 0 JIADHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccn(Cc4ccccc4)n3)ccc2C)cc1 ZINC000520709217 1068326699 /nfs/dbraw/zinc/32/66/99/1068326699.db2.gz RNYUWFRLGYDAPN-UHFFFAOYSA-N -1 3 476.558 4.302 20 0 JIADHM CCOc1ccccc1Nc1nnc(SCc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)s1 ZINC000619787343 1068352412 /nfs/dbraw/zinc/35/24/12/1068352412.db2.gz CVTDXDBIPLHNAT-UHFFFAOYSA-N -1 3 489.604 4.366 20 0 JIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3cnc4ccsc4c3)c2)cc1 ZINC001353591113 1068355730 /nfs/dbraw/zinc/35/57/30/1068355730.db2.gz PECUJVONYLSFLY-UHFFFAOYSA-N -1 3 453.545 4.036 20 0 JIADHM C[C@H](OC(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br)c1ccccc1 ZINC000849129517 1068898569 /nfs/dbraw/zinc/89/85/69/1068898569.db2.gz VNCLSGYDLSVNJX-LBPRGKRZSA-N -1 3 491.201 4.184 20 0 JIADHM CC(C)Cn1cc([C@H]2N(C(=O)c3c[n-]c4ccc(Br)cc4c3=O)CC23CCOCC3)cn1 ZINC000849536682 1069157748 /nfs/dbraw/zinc/15/77/48/1069157748.db2.gz NNRHXNRYLVRVFI-JOCHJYFZSA-N -1 3 499.409 4.137 20 0 JIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)ccc1F ZINC001354518440 1069287882 /nfs/dbraw/zinc/28/78/82/1069287882.db2.gz FPHFFMMQTMNDRW-UHFFFAOYSA-N -1 3 459.470 4.102 20 0 JIADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000070036748 569695044 /nfs/dbraw/zinc/69/50/44/569695044.db2.gz RJOZXFSBQKGRNZ-UHFFFAOYSA-N -1 3 468.492 4.394 20 0 JIADHM Fc1cnc(N2CCC3(CC2)CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)Cc2ccccc23)nc1 ZINC001164838613 720735243 /nfs/dbraw/zinc/73/52/43/720735243.db2.gz SVJAQIHUYUESTC-UHFFFAOYSA-N -1 3 492.958 4.451 20 0 JIADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164926477 721898935 /nfs/dbraw/zinc/89/89/35/721898935.db2.gz BEJNPIJJOPLSHW-HXUWFJFHSA-N -1 3 461.925 4.099 20 0 JIADHM CCc1ccc([C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c2cccc(F)c2)cc1 ZINC001337445948 1066483839 /nfs/dbraw/zinc/48/38/39/1066483839.db2.gz FRSOAFKRAIFXIU-RUZDIDTESA-N -1 3 461.537 4.351 20 0 JIADHM O=C([N-]CC1CCN(c2nnc(-c3ccccc3Cl)n2CC[C@@H]2CCCCO2)CC1)C(F)(F)F ZINC001316566545 1066587678 /nfs/dbraw/zinc/58/76/78/1066587678.db2.gz YTXBKJFBRKXGGO-KRWDZBQOSA-N -1 3 499.965 4.453 20 0 JIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)O[C@H](C)C(=O)NCc3ccco3)ccc2C)c(C)c1 ZINC001345062380 1066639271 /nfs/dbraw/zinc/63/92/71/1066639271.db2.gz BGCYTUFPZFTCSP-LJQANCHMSA-N -1 3 484.574 4.176 20 0 JIADHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc2nccc(C(F)(F)F)n2n1 ZINC001349645525 1066865686 /nfs/dbraw/zinc/86/56/86/1066865686.db2.gz WBZYNPQFOURUKY-UHFFFAOYSA-N -1 3 454.434 4.283 20 0 JIADHM CCOc1cc([C@H]2NC(=S)N(c3ccccc3F)C(C)=C2C(=O)N(C)C)cc(Cl)c1[O-] ZINC001318231107 1066974671 /nfs/dbraw/zinc/97/46/71/1066974671.db2.gz OFPDIXXRJLZNCN-LJQANCHMSA-N -1 3 463.962 4.381 20 0 JIADHM CC(=O)NCc1ccc(-c2csc([N-]C(=O)c3sc(Cl)nc3C(F)(F)F)n2)o1 ZINC001351062429 1067039485 /nfs/dbraw/zinc/03/94/85/1067039485.db2.gz UEUZQZJDDGTASU-UHFFFAOYSA-N -1 3 450.851 4.420 20 0 JIADHM Cc1cc(C(=O)COC(=O)CCc2c(C)nc[n-]c2=O)c(C)n1CCc1ccc(Cl)cc1 ZINC001318558106 1067052123 /nfs/dbraw/zinc/05/21/23/1067052123.db2.gz YNKLKKZIJZDGCS-UHFFFAOYSA-N -1 3 455.942 4.164 20 0 JIADHM COc1cccc(N2CCC(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4F)ccc3C)CC2)c1 ZINC001320385714 1067090334 /nfs/dbraw/zinc/09/03/34/1067090334.db2.gz KJMHREVPNDVGJY-UHFFFAOYSA-N -1 3 497.592 4.342 20 0 JIADHM COc1cccc2cc(CNC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)oc21 ZINC001321498179 1067148848 /nfs/dbraw/zinc/14/88/48/1067148848.db2.gz PWOVGXBFWNWDPP-UHFFFAOYSA-N -1 3 454.479 4.311 20 0 JIADHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cc3cccc(OC)c3o2)c(Br)cc1Cl ZINC001321525352 1067156720 /nfs/dbraw/zinc/15/67/20/1067156720.db2.gz JPUKFCAKLOFVPP-UHFFFAOYSA-N -1 3 488.743 4.122 20 0 JIADHM COc1cccc(N2CCC([N-]S(=O)(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c1 ZINC001321620803 1067177650 /nfs/dbraw/zinc/17/76/50/1067177650.db2.gz BJDNWBNQDFLVLE-UHFFFAOYSA-N -1 3 464.012 4.419 20 0 JIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)ccc1F ZINC001322638848 1067306955 /nfs/dbraw/zinc/30/69/55/1067306955.db2.gz LILGPSGJLBBULE-UHFFFAOYSA-N -1 3 472.586 4.307 20 0 JIADHM Cc1c(Br)cccc1CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001300027123 1067400139 /nfs/dbraw/zinc/40/01/39/1067400139.db2.gz VARHFRSZUBRDFC-UHFFFAOYSA-N -1 3 450.130 4.292 20 0 JIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N[C@H](C3CC3)C(C)(C)CO)ccc2C)c(C)c1 ZINC001300062456 1067569379 /nfs/dbraw/zinc/56/93/79/1067569379.db2.gz LZLOTCZOKOTFOA-HSZRJFAPSA-N -1 3 458.624 4.248 20 0 JIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 ZINC001355902916 1067604946 /nfs/dbraw/zinc/60/49/46/1067604946.db2.gz WZKLUZCXSMCVTK-CQSZACIVSA-N -1 3 451.980 4.478 20 0 JIADHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccn(CCOC)n3)c2)cc1 ZINC000507104601 1067694870 /nfs/dbraw/zinc/69/48/70/1067694870.db2.gz SDVQTOIMWOJMTA-UHFFFAOYSA-N -1 3 470.595 4.234 20 0 JIADHM COC(=O)c1cc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)ccc1Cl ZINC001300129172 1067763852 /nfs/dbraw/zinc/76/38/52/1067763852.db2.gz CNHPEEXHDZCWLC-OAQYLSRUSA-N -1 3 452.894 4.332 20 0 JIADHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@]3(CC3(F)F)C2)c(Cl)cc1Cl ZINC001300159445 1067815670 /nfs/dbraw/zinc/81/56/70/1067815670.db2.gz CNAPGRJFUPFPOE-GTNSWQLSSA-N -1 3 455.354 4.332 20 0 JIADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)ccc1F ZINC001358067088 1068007038 /nfs/dbraw/zinc/00/70/38/1068007038.db2.gz NHKCGKDYUFEBQS-UHFFFAOYSA-N -1 3 455.555 4.401 20 0 JIADHM CCc1nc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)nn1-c1ccccc1Cl ZINC000498370710 1068199232 /nfs/dbraw/zinc/19/92/32/1068199232.db2.gz CLZWWYYZXSIAER-UHFFFAOYSA-N -1 3 486.761 4.138 20 0 JIADHM 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4.083 20 0 JIADHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)cc2)c1C ZINC001317768602 1066678568 /nfs/dbraw/zinc/67/85/68/1066678568.db2.gz GJTDPRIFCDDYFH-UHFFFAOYSA-N -1 3 492.645 4.417 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(-n4cnnc4)c3)ccc2C)cc1 ZINC001348594435 1066760159 /nfs/dbraw/zinc/76/01/59/1066760159.db2.gz QEAYWSZKNZGPEJ-UHFFFAOYSA-N -1 3 477.546 4.028 20 0 JIADHM CSCC[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)c1nnc2ccccn21 ZINC001349075877 1066805358 /nfs/dbraw/zinc/80/53/58/1066805358.db2.gz KJEHDXROLNSGTP-AWEZNQCLSA-N -1 3 455.328 4.194 20 0 JIADHM CCOc1ccc2c(c1)CN(C(=O)c1cc(NC(=O)c3cc(OC)cc(OC)c3)ccc1[O-])CC2 ZINC001318044317 1066868548 /nfs/dbraw/zinc/86/85/48/1066868548.db2.gz WNTTWHMXFWJUJQ-UHFFFAOYSA-N -1 3 476.529 4.259 20 0 JIADHM CC(=O)N(c1nc(COC(=O)CCc2c(C)nc[n-]c2=O)cs1)c1ccc(C(F)(F)F)cc1 ZINC001318078101 1066888524 /nfs/dbraw/zinc/88/85/24/1066888524.db2.gz PHNANWZUCGIIJY-UHFFFAOYSA-N -1 3 480.468 4.327 20 0 JIADHM CCOC(=O)c1c(-c2ccc(F)cc2)csc1[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC001350102320 1066918035 /nfs/dbraw/zinc/91/80/35/1066918035.db2.gz HPBPMVWYBWWSQA-UHFFFAOYSA-N -1 3 451.497 4.288 20 0 JIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)cc2)cc1 ZINC001318144001 1066923079 /nfs/dbraw/zinc/92/30/79/1066923079.db2.gz QGKRWHQEWUYFSH-UHFFFAOYSA-N -1 3 478.618 4.108 20 0 JIADHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C(C)(C)C)nn3C)ccc2C)cc1 ZINC001318252090 1066984729 /nfs/dbraw/zinc/98/47/29/1066984729.db2.gz CPYHUQKJTVVVCC-UHFFFAOYSA-N -1 3 470.595 4.478 20 0 JIADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cn(-c4ccc(Br)cc4)nn3)c2)n1 ZINC001321725681 1067204660 /nfs/dbraw/zinc/20/46/60/1067204660.db2.gz VIZHRDKCKYWRBF-UHFFFAOYSA-N -1 3 465.311 4.007 20 0 JIADHM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)N1CCC(Oc2ccccc2)CC1 ZINC001321946941 1067231770 /nfs/dbraw/zinc/23/17/70/1067231770.db2.gz SGVAADWYGNDJLF-UHFFFAOYSA-N -1 3 454.523 4.310 20 0 JIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC001200813944 1067269742 /nfs/dbraw/zinc/26/97/42/1067269742.db2.gz SJTWTWHMMSNQGR-LJQANCHMSA-N -1 3 459.930 4.096 20 0 JIADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001355033705 1067351231 /nfs/dbraw/zinc/35/12/31/1067351231.db2.gz HRIVXKDFCUVXGP-UHFFFAOYSA-N -1 3 463.217 4.449 20 0 JIADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001355033705 1067351233 /nfs/dbraw/zinc/35/12/33/1067351233.db2.gz HRIVXKDFCUVXGP-UHFFFAOYSA-N -1 3 463.217 4.449 20 0 JIADHM Cc1ccccc1Cc1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCSCC(C)C ZINC001492582930 1067534743 /nfs/dbraw/zinc/53/47/43/1067534743.db2.gz YFANRNLOQXSJNZ-UHFFFAOYSA-N -1 3 497.631 4.461 20 0 JIADHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000501560953 1067712035 /nfs/dbraw/zinc/71/20/35/1067712035.db2.gz KLMZPYUSCGGUDE-UHFFFAOYSA-N -1 3 477.631 4.154 20 0 JIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2c(C(F)(F)F)cnn2C)cc1 ZINC001356462487 1067757987 /nfs/dbraw/zinc/75/79/87/1067757987.db2.gz XSTHJSCSUWCFLV-UHFFFAOYSA-N -1 3 452.458 4.109 20 0 JIADHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3Cc3ccccc3)nc21 ZINC001357295769 1067831567 /nfs/dbraw/zinc/83/15/67/1067831567.db2.gz NVLQPIDPWKWLLT-IEBWSBKVSA-N -1 3 478.549 4.014 20 0 JIADHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCNc3nc4ccccc4s3)c2)cc1 ZINC000515192744 1068260455 /nfs/dbraw/zinc/26/04/55/1068260455.db2.gz ODNCUNDSAUVZGH-UHFFFAOYSA-N -1 3 496.614 4.256 20 0 JIADHM O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000521389700 1068332615 /nfs/dbraw/zinc/33/26/15/1068332615.db2.gz YBQUHQYVVPYFSL-UHFFFAOYSA-N -1 3 450.495 4.124 20 0 JIADHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)c3ccc4scnc4c3)c2)cc1 ZINC001353591635 1068356708 /nfs/dbraw/zinc/35/67/08/1068356708.db2.gz VKNKHFLNFSIYME-UHFFFAOYSA-N -1 3 453.545 4.036 20 0 JIADHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc2cc(Br)cc(Br)c2o1 ZINC001354326251 1069109711 /nfs/dbraw/zinc/10/97/11/1069109711.db2.gz FRBKVRVMLOHCLK-UHFFFAOYSA-N -1 3 454.053 4.392 20 0 JIADHM O=C(Nc1ccc2ccc(Cl)nc2n1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001472605415 1069142886 /nfs/dbraw/zinc/14/28/86/1069142886.db2.gz ICHNOVIKXZICBZ-UHFFFAOYSA-N -1 3 456.886 4.475 20 0 JIADHM Cc1sc2ncn([N-]C(=O)[C@@H](C[C@H]3CCCO3)C(F)(F)F)c(=O)c2c1-c1ccccc1 ZINC001354457363 1069233407 /nfs/dbraw/zinc/23/34/07/1069233407.db2.gz IZYSJJOYPLXGRS-HUUCEWRRSA-N -1 3 451.470 4.251 20 0 JIADHM