smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)[nH+]c(C)n2)cc1 ZINC000000829578 219328061 /nfs/dbraw/zinc/32/80/61/219328061.db2.gz CUIXBGJRZXMYML-UHFFFAOYSA-N 1 2 364.449 5.070 40 0 FKABLO Brc1ccc2[nH+]c(-c3cccs3)c(NC3CCCC3)n2c1 ZINC000000904311 206140426 /nfs/dbraw/zinc/14/04/26/206140426.db2.gz ALQCUAWMRCXYLT-UHFFFAOYSA-N 1 2 362.296 5.180 40 0 FKABLO COc1ccc(CNc2cc(C)[nH+]c(SCc3ccc(C)cc3)n2)cc1 ZINC000001376080 206149828 /nfs/dbraw/zinc/14/98/28/206149828.db2.gz PFAFPHUCECEUTJ-UHFFFAOYSA-N 1 2 365.502 5.006 40 0 FKABLO CC(C)(C)P(c1ccccc1[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C ZINC000002572422 570525298 /nfs/dbraw/zinc/52/52/98/570525298.db2.gz WWUOMCDYYCYMIK-UHFFFAOYSA-N 1 2 366.510 7.095 40 0 FKABLO Cn1cc[nH+]c1/C=C(\OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004725930 570669080 /nfs/dbraw/zinc/66/90/80/570669080.db2.gz GGPBUJROQYICRS-ATVHPVEESA-N 1 2 373.239 5.082 40 0 FKABLO COc1ccc(CNc2c(-c3cccs3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004848481 206180482 /nfs/dbraw/zinc/18/04/82/206180482.db2.gz MUYDANAFRMZDSL-UHFFFAOYSA-N 1 2 369.877 5.337 40 0 FKABLO Oc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1NCc1ccc(F)cc1 ZINC000004848485 206180474 /nfs/dbraw/zinc/18/04/74/206180474.db2.gz UQLYVLMUXNXTTO-UHFFFAOYSA-N 1 2 367.811 5.112 40 0 FKABLO Cc1cc(N2CC=C(c3ccc(Cl)cc3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000004967292 132255902 /nfs/dbraw/zinc/25/59/02/132255902.db2.gz QAKULUCRJMXGCQ-UHFFFAOYSA-N 1 2 361.876 5.399 40 0 FKABLO Clc1ccccc1[C@H](Cc1c(Cl)cccc1Cl)Cn1cc[nH+]c1 ZINC000005386095 204206754 /nfs/dbraw/zinc/20/67/54/204206754.db2.gz YHTYTKSCZPOEET-CYBMUJFWSA-N 1 2 365.691 5.870 40 0 FKABLO Clc1ccc(N=C(C(c2ccccc2)c2ccccc2)n2cc[nH+]c2)cc1 ZINC000006995485 570789301 /nfs/dbraw/zinc/78/93/01/570789301.db2.gz AMDUMGNNBPPWNC-UHFFFAOYSA-N 1 2 371.871 6.023 40 0 FKABLO COc1ccc(C(=O)CN(c2ccc(Cl)cc2)C2=[NH+]CCCCC2)cc1 ZINC000007275405 568230973 /nfs/dbraw/zinc/23/09/73/568230973.db2.gz YMYXAGUXPDSDEN-UHFFFAOYSA-N 1 2 370.880 5.010 40 0 FKABLO COc1ccc(C(=O)CN(c2cccc(Cl)c2)C2=[NH+]CCCCC2)cc1 ZINC000007275434 568230948 /nfs/dbraw/zinc/23/09/48/568230948.db2.gz XUXYJLOLASDGFC-UHFFFAOYSA-N 1 2 370.880 5.010 40 0 FKABLO C[C@@H]1CCC[C@H]([N@H+]2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)[C@@H]1C ZINC000007499257 263351564 /nfs/dbraw/zinc/35/15/64/263351564.db2.gz FVTHMBPMOXVALS-KNKQGSTJSA-N 1 2 374.532 5.098 40 0 FKABLO C[C@@H]1CCC[C@H]([N@@H+]2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)[C@@H]1C ZINC000007499257 263351562 /nfs/dbraw/zinc/35/15/62/263351562.db2.gz FVTHMBPMOXVALS-KNKQGSTJSA-N 1 2 374.532 5.098 40 0 FKABLO C[C@@H]1CCC[C@@H]([N@H+]2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)[C@@H]1C ZINC000007499264 263351268 /nfs/dbraw/zinc/35/12/68/263351268.db2.gz FVTHMBPMOXVALS-WOIUINJBSA-N 1 2 374.532 5.098 40 0 FKABLO C[C@@H]1CCC[C@@H]([N@@H+]2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)[C@@H]1C ZINC000007499264 263351263 /nfs/dbraw/zinc/35/12/63/263351263.db2.gz FVTHMBPMOXVALS-WOIUINJBSA-N 1 2 374.532 5.098 40 0 FKABLO Cc1ccc(C(=O)CN(c2ccc(Cl)cc2)C2=[NH+]CCCCC2)cc1 ZINC000008411392 568313017 /nfs/dbraw/zinc/31/30/17/568313017.db2.gz MHRMMRCPLCGOBK-UHFFFAOYSA-N 1 2 354.881 5.310 40 0 FKABLO O=C(CN(c1cccc(Cl)c1)C1=[NH+]CCCCC1)c1ccc(F)cc1 ZINC000008418249 210098392 /nfs/dbraw/zinc/09/83/92/210098392.db2.gz FMLJBRCPSHPYNT-UHFFFAOYSA-N 1 2 358.844 5.141 40 0 FKABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc(F)cc1 ZINC000008418618 568314158 /nfs/dbraw/zinc/31/41/58/568314158.db2.gz DYKWVQDYKVATDO-UHFFFAOYSA-N 1 2 358.844 5.141 40 0 FKABLO O=C1C(c2ccccc2)Sc2nc(-c3ccccc3)c3ccccc3[n+]21 ZINC000012138905 571322334 /nfs/dbraw/zinc/32/23/34/571322334.db2.gz NHMRPLCMDQBNSJ-UHFFFAOYSA-O 1 2 355.442 5.075 40 0 FKABLO C/C(=C\c1ccccc1)[C@H]1[NH2+][C@@H](c2nc(C)cs2)Cc2ccsc21 ZINC000012337988 570737776 /nfs/dbraw/zinc/73/77/76/570737776.db2.gz CNTUHEXIGULSNV-NQNZFTEYSA-N 1 2 352.528 5.545 40 0 FKABLO Clc1ccccc1[C@@H](Cc1c(Cl)cccc1Cl)Cn1cc[nH+]c1 ZINC000012948783 211012691 /nfs/dbraw/zinc/01/26/91/211012691.db2.gz YHTYTKSCZPOEET-ZDUSSCGKSA-N 1 2 365.691 5.870 40 0 FKABLO Nc1nc(-c2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)cs1 ZINC000013213495 570775059 /nfs/dbraw/zinc/77/50/59/570775059.db2.gz WRFYXZDYESEFNY-UHFFFAOYSA-N 1 2 352.850 5.338 40 0 FKABLO Nc1ccc(-c2csc(Nc3cc[nH+]c4cc(Cl)ccc34)n2)cc1 ZINC000013213497 570775182 /nfs/dbraw/zinc/77/51/82/570775182.db2.gz FPOWWMKYLILCFX-UHFFFAOYSA-N 1 2 352.850 5.338 40 0 FKABLO Clc1ccc(COc2ccc(Cl)cc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000013283491 570776027 /nfs/dbraw/zinc/77/60/27/570776027.db2.gz ZOYZIHRWAASBIM-UHFFFAOYSA-N 1 2 367.663 5.471 40 0 FKABLO COc1cc(C)nc2ccc(Cc3ccc4[nH+]c(C)cc(OC)c4c3)cc21 ZINC000013284890 570775932 /nfs/dbraw/zinc/77/59/32/570775932.db2.gz IDOYKAABHCKXBZ-UHFFFAOYSA-N 1 2 358.441 5.008 40 0 FKABLO c1ccc(C[N@@H+]2Cc3cc4ccccc4nc3O[C@H](c3ccccc3)C2)cc1 ZINC000013563902 220074590 /nfs/dbraw/zinc/07/45/90/220074590.db2.gz XZSTYAGJDQGISH-DEOSSOPVSA-N 1 2 366.464 5.371 40 0 FKABLO c1ccc(C[N@H+]2Cc3cc4ccccc4nc3O[C@H](c3ccccc3)C2)cc1 ZINC000013563902 220074588 /nfs/dbraw/zinc/07/45/88/220074588.db2.gz XZSTYAGJDQGISH-DEOSSOPVSA-N 1 2 366.464 5.371 40 0 FKABLO c1ccc(C[N@@H+]2Cc3cc4ccccc4nc3O[C@@H](c3ccccc3)C2)cc1 ZINC000013563904 220074319 /nfs/dbraw/zinc/07/43/19/220074319.db2.gz XZSTYAGJDQGISH-XMMPIXPASA-N 1 2 366.464 5.371 40 0 FKABLO c1ccc(C[N@H+]2Cc3cc4ccccc4nc3O[C@@H](c3ccccc3)C2)cc1 ZINC000013563904 220074317 /nfs/dbraw/zinc/07/43/17/220074317.db2.gz XZSTYAGJDQGISH-XMMPIXPASA-N 1 2 366.464 5.371 40 0 FKABLO CCCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2cc3ccc(C)c(C)c3nc2O1 ZINC000013564178 570833885 /nfs/dbraw/zinc/83/38/85/570833885.db2.gz NLZAJSMJSPJNTI-HSZRJFAPSA-N 1 2 374.528 5.805 40 0 FKABLO CCCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2cc3ccc(C)c(C)c3nc2O1 ZINC000013564178 570833881 /nfs/dbraw/zinc/83/38/81/570833881.db2.gz NLZAJSMJSPJNTI-HSZRJFAPSA-N 1 2 374.528 5.805 40 0 FKABLO CCCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2cc3ccc(C)c(C)c3nc2O1 ZINC000013564179 220074855 /nfs/dbraw/zinc/07/48/55/220074855.db2.gz NLZAJSMJSPJNTI-QHCPKHFHSA-N 1 2 374.528 5.805 40 0 FKABLO CCCC[C@H]1C[N@H+](Cc2ccccc2)Cc2cc3ccc(C)c(C)c3nc2O1 ZINC000013564179 220074852 /nfs/dbraw/zinc/07/48/52/220074852.db2.gz NLZAJSMJSPJNTI-QHCPKHFHSA-N 1 2 374.528 5.805 40 0 FKABLO CC(C)Oc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)cc1 ZINC000013569007 220075367 /nfs/dbraw/zinc/07/53/67/220075367.db2.gz ABVURCBWTCHWIU-UHFFFAOYSA-N 1 2 364.464 5.210 40 0 FKABLO CC(C)Oc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)cc1 ZINC000013569007 220075365 /nfs/dbraw/zinc/07/53/65/220075365.db2.gz ABVURCBWTCHWIU-UHFFFAOYSA-N 1 2 364.464 5.210 40 0 FKABLO Cc1oc2ccccc2c1C[N@@H+](Cc1cccnc1)Cc1ccccc1F ZINC000013569017 220074451 /nfs/dbraw/zinc/07/44/51/220074451.db2.gz KFZDOVJPYSYLFE-UHFFFAOYSA-N 1 2 360.432 5.478 40 0 FKABLO Cc1oc2ccccc2c1C[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000013569017 220074449 /nfs/dbraw/zinc/07/44/49/220074449.db2.gz KFZDOVJPYSYLFE-UHFFFAOYSA-N 1 2 360.432 5.478 40 0 FKABLO c1csc(C[N@@H+](Cc2cnn(C3CCCCC3)c2)Cc2cccnc2)c1 ZINC000013569772 220074898 /nfs/dbraw/zinc/07/48/98/220074898.db2.gz KEXMYTFGJYXLCR-UHFFFAOYSA-N 1 2 366.534 5.047 40 0 FKABLO c1csc(C[N@H+](Cc2cnn(C3CCCCC3)c2)Cc2cccnc2)c1 ZINC000013569772 220074894 /nfs/dbraw/zinc/07/48/94/220074894.db2.gz KEXMYTFGJYXLCR-UHFFFAOYSA-N 1 2 366.534 5.047 40 0 FKABLO Cc1cccc2[nH+]c(CSc3nc(-c4ccc(Cl)cc4)cs3)cn21 ZINC000016362510 570855129 /nfs/dbraw/zinc/85/51/29/570855129.db2.gz MMVYSIOACHJKDZ-UHFFFAOYSA-N 1 2 371.918 5.712 40 0 FKABLO Clc1ccc(-c2csc(SCc3cn4ccccc4[nH+]3)n2)cc1 ZINC000016545916 570858180 /nfs/dbraw/zinc/85/81/80/570858180.db2.gz RFIMVZWQPCYEPL-UHFFFAOYSA-N 1 2 357.891 5.404 40 0 FKABLO CC[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757579 570862038 /nfs/dbraw/zinc/86/20/38/570862038.db2.gz OOWVXDUPSFFWBP-MRXNPFEDSA-N 1 2 359.498 5.978 40 0 FKABLO CC[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757582 570861975 /nfs/dbraw/zinc/86/19/75/570861975.db2.gz OOWVXDUPSFFWBP-INIZCTEOSA-N 1 2 359.498 5.978 40 0 FKABLO CC(C)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757585 207597068 /nfs/dbraw/zinc/59/70/68/207597068.db2.gz JAFPOKRYQJSECY-UHFFFAOYSA-N 1 2 359.498 5.836 40 0 FKABLO CC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757597 570861815 /nfs/dbraw/zinc/86/18/15/570861815.db2.gz PMYFCASRXOTVJJ-MRXNPFEDSA-N 1 2 373.481 5.157 40 0 FKABLO CC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757600 570861923 /nfs/dbraw/zinc/86/19/23/570861923.db2.gz PMYFCASRXOTVJJ-INIZCTEOSA-N 1 2 373.481 5.157 40 0 FKABLO CCCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757603 220194158 /nfs/dbraw/zinc/19/41/58/220194158.db2.gz OBTNRIXCDREPER-UHFFFAOYSA-N 1 2 373.525 6.370 40 0 FKABLO CCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757616 211168963 /nfs/dbraw/zinc/16/89/63/211168963.db2.gz PKQBLXOWLRCKAC-UHFFFAOYSA-N 1 2 359.498 5.980 40 0 FKABLO CCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757640 570862020 /nfs/dbraw/zinc/86/20/20/570862020.db2.gz SGEMOURSQSLHFW-UHFFFAOYSA-N 1 2 359.498 5.898 40 0 FKABLO CC[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757679 211168737 /nfs/dbraw/zinc/16/87/37/211168737.db2.gz YVRMUGMZFAYOHD-QGZVFWFLSA-N 1 2 373.525 6.287 40 0 FKABLO CC[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757682 220194201 /nfs/dbraw/zinc/19/42/01/220194201.db2.gz YVRMUGMZFAYOHD-KRWDZBQOSA-N 1 2 373.525 6.287 40 0 FKABLO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCC(C)C)c1 ZINC000016757685 570861728 /nfs/dbraw/zinc/86/17/28/570861728.db2.gz BNDDTPHVFZGFMP-UHFFFAOYSA-N 1 2 373.525 6.144 40 0 FKABLO CCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757715 570861940 /nfs/dbraw/zinc/86/19/40/570861940.db2.gz DBSPBAXWBNYVCL-UHFFFAOYSA-N 1 2 373.525 6.288 40 0 FKABLO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SC(C)C)c1 ZINC000016757718 220193627 /nfs/dbraw/zinc/19/36/27/220193627.db2.gz KYSWVTGUSQMBTP-UHFFFAOYSA-N 1 2 359.498 5.896 40 0 FKABLO CCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757741 570861671 /nfs/dbraw/zinc/86/16/71/570861671.db2.gz BFQCWATUPUKVDH-UHFFFAOYSA-N 1 2 365.889 5.853 40 0 FKABLO CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757801 211168050 /nfs/dbraw/zinc/16/80/50/211168050.db2.gz CHKBPNFQDITVAP-UHFFFAOYSA-N 1 2 351.862 5.463 40 0 FKABLO CCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757841 211168769 /nfs/dbraw/zinc/16/87/69/211168769.db2.gz RFIWHGQKZQYQLA-UHFFFAOYSA-N 1 2 365.889 5.853 40 0 FKABLO CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757894 570861696 /nfs/dbraw/zinc/86/16/96/570861696.db2.gz HRRYRIWQXXESOF-UHFFFAOYSA-N 1 2 351.862 5.463 40 0 FKABLO CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758075 220193526 /nfs/dbraw/zinc/19/35/26/220193526.db2.gz GOUNWNDLJVFNIL-UHFFFAOYSA-N 1 2 365.889 5.771 40 0 FKABLO CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3C[C@@H](c4ccccc4)[NH2+]N32)cc1 ZINC000019171706 220238729 /nfs/dbraw/zinc/23/87/29/220238729.db2.gz NNUWRAGPZLVXPM-WPFOTENUSA-N 1 2 372.468 5.169 40 0 FKABLO CCOc1ccc([C@H]2Oc3ccccc3[C@H]3C[C@@H](c4ccccc4)[NH2+]N32)cc1 ZINC000019171712 211204940 /nfs/dbraw/zinc/20/49/40/211204940.db2.gz NNUWRAGPZLVXPM-WMTXJRDZSA-N 1 2 372.468 5.169 40 0 FKABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3cccc(Cl)c3)o2)s1 ZINC000019217737 570882568 /nfs/dbraw/zinc/88/25/68/570882568.db2.gz XQBHURWWXYDFLY-HNNXBMFYSA-N 1 2 359.882 5.097 40 0 FKABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3cccc(Cl)c3)o2)s1 ZINC000019217737 570882565 /nfs/dbraw/zinc/88/25/65/570882565.db2.gz XQBHURWWXYDFLY-HNNXBMFYSA-N 1 2 359.882 5.097 40 0 FKABLO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3Cc3cccc(Cl)c3)o2)s1 ZINC000019217739 211206044 /nfs/dbraw/zinc/20/60/44/211206044.db2.gz XQBHURWWXYDFLY-OAHLLOKOSA-N 1 2 359.882 5.097 40 0 FKABLO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3Cc3cccc(Cl)c3)o2)s1 ZINC000019217739 211206041 /nfs/dbraw/zinc/20/60/41/211206041.db2.gz XQBHURWWXYDFLY-OAHLLOKOSA-N 1 2 359.882 5.097 40 0 FKABLO Clc1cccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c1Cl ZINC000019292623 220246165 /nfs/dbraw/zinc/24/61/65/220246165.db2.gz WHSZVMORPBBUSD-AWEZNQCLSA-N 1 2 369.342 5.585 40 0 FKABLO Clc1cccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c1Cl ZINC000019292624 220246649 /nfs/dbraw/zinc/24/66/49/220246649.db2.gz WHSZVMORPBBUSD-CQSZACIVSA-N 1 2 369.342 5.585 40 0 FKABLO Clc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1Cl ZINC000019292625 570884740 /nfs/dbraw/zinc/88/47/40/570884740.db2.gz VHOPMNVOBLUBFU-AWEZNQCLSA-N 1 2 369.342 5.585 40 0 FKABLO Clc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1Cl ZINC000019292627 570884663 /nfs/dbraw/zinc/88/46/63/570884663.db2.gz VHOPMNVOBLUBFU-CQSZACIVSA-N 1 2 369.342 5.585 40 0 FKABLO Clc1ccc([C@@H]2[NH2+][C@H](c3nccs3)Cc3ccsc32)cc1Cl ZINC000019293160 220247180 /nfs/dbraw/zinc/24/71/80/220247180.db2.gz PRNYJYDRQQICCT-KBPBESRZSA-N 1 2 367.326 5.488 40 0 FKABLO Cc1cc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)cc(C)c1O ZINC000019328270 204677726 /nfs/dbraw/zinc/67/77/26/204677726.db2.gz FBDKNXWFEWWSBA-UHFFFAOYSA-N 1 2 372.512 5.026 40 0 FKABLO Cc1cc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)cc(C)c1O ZINC000019328270 204677724 /nfs/dbraw/zinc/67/77/24/204677724.db2.gz FBDKNXWFEWWSBA-UHFFFAOYSA-N 1 2 372.512 5.026 40 0 FKABLO Clc1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019349100 570886935 /nfs/dbraw/zinc/88/69/35/570886935.db2.gz QOSXHZPWCWDSAN-MRXNPFEDSA-N 1 2 359.882 5.179 40 0 FKABLO Clc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc(-c2ccsc2)o1 ZINC000019349100 570886933 /nfs/dbraw/zinc/88/69/33/570886933.db2.gz QOSXHZPWCWDSAN-MRXNPFEDSA-N 1 2 359.882 5.179 40 0 FKABLO Clc1ccccc1C[N@H+]1CCCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019349102 211218645 /nfs/dbraw/zinc/21/86/45/211218645.db2.gz QOSXHZPWCWDSAN-INIZCTEOSA-N 1 2 359.882 5.179 40 0 FKABLO Clc1ccccc1C[N@@H+]1CCCC[C@H]1c1nnc(-c2ccsc2)o1 ZINC000019349102 211218638 /nfs/dbraw/zinc/21/86/38/211218638.db2.gz QOSXHZPWCWDSAN-INIZCTEOSA-N 1 2 359.882 5.179 40 0 FKABLO CC(C)n1c(C[N@@H+](Cc2ccccc2)Cc2ccncc2)nc2ccccc21 ZINC000019454726 570889744 /nfs/dbraw/zinc/88/97/44/570889744.db2.gz NRFYQNFXLVWKHD-UHFFFAOYSA-N 1 2 370.500 5.215 40 0 FKABLO CC(C)n1c(C[N@H+](Cc2ccccc2)Cc2ccncc2)nc2ccccc21 ZINC000019454726 570889741 /nfs/dbraw/zinc/88/97/41/570889741.db2.gz NRFYQNFXLVWKHD-UHFFFAOYSA-N 1 2 370.500 5.215 40 0 FKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1C ZINC000019557964 220270422 /nfs/dbraw/zinc/27/04/22/220270422.db2.gz QDYCPTDHDSMEQE-SFHVURJKSA-N 1 2 370.884 5.062 40 0 FKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1C ZINC000019557964 220270416 /nfs/dbraw/zinc/27/04/16/220270416.db2.gz QDYCPTDHDSMEQE-SFHVURJKSA-N 1 2 370.884 5.062 40 0 FKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1C ZINC000019557967 220270244 /nfs/dbraw/zinc/27/02/44/220270244.db2.gz QDYCPTDHDSMEQE-GOSISDBHSA-N 1 2 370.884 5.062 40 0 FKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1C ZINC000019557967 220270239 /nfs/dbraw/zinc/27/02/39/220270239.db2.gz QDYCPTDHDSMEQE-GOSISDBHSA-N 1 2 370.884 5.062 40 0 FKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccccc2Cl)c1C ZINC000019558000 211233138 /nfs/dbraw/zinc/23/31/38/211233138.db2.gz TYGCLWLFHILDJO-SFHVURJKSA-N 1 2 370.884 5.062 40 0 FKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccccc2Cl)c1C ZINC000019558000 211233134 /nfs/dbraw/zinc/23/31/34/211233134.db2.gz TYGCLWLFHILDJO-SFHVURJKSA-N 1 2 370.884 5.062 40 0 FKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccccc2Cl)c1C ZINC000019558002 220270293 /nfs/dbraw/zinc/27/02/93/220270293.db2.gz TYGCLWLFHILDJO-GOSISDBHSA-N 1 2 370.884 5.062 40 0 FKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccccc2Cl)c1C ZINC000019558002 220270288 /nfs/dbraw/zinc/27/02/88/220270288.db2.gz TYGCLWLFHILDJO-GOSISDBHSA-N 1 2 370.884 5.062 40 0 FKABLO Cc1nc([C@@H](Cc2ccsc2)[NH2+]Cc2cccc(F)c2F)sc1C ZINC000019559913 570893234 /nfs/dbraw/zinc/89/32/34/570893234.db2.gz KGGOXOULTCPMQU-MRXNPFEDSA-N 1 2 364.486 5.173 40 0 FKABLO Cc1nc([C@H](Cc2ccsc2)[NH2+]Cc2cccc(F)c2F)sc1C ZINC000019559915 570893093 /nfs/dbraw/zinc/89/30/93/570893093.db2.gz KGGOXOULTCPMQU-INIZCTEOSA-N 1 2 364.486 5.173 40 0 FKABLO Cc1sc2c(c1C)C[N@@H+](C1CCCCC1)CN2C(=O)c1ccccc1 ZINC000020193355 211269455 /nfs/dbraw/zinc/26/94/55/211269455.db2.gz OIAYRGVQVIEBFT-UHFFFAOYSA-N 1 2 354.519 5.118 40 0 FKABLO Cc1sc2c(c1C)C[N@H+](C1CCCCC1)CN2C(=O)c1ccccc1 ZINC000020193355 211269452 /nfs/dbraw/zinc/26/94/52/211269452.db2.gz OIAYRGVQVIEBFT-UHFFFAOYSA-N 1 2 354.519 5.118 40 0 FKABLO COc1ccc([C@@H](Nc2cccc[nH+]2)c2c(C)[nH]c3ccccc32)c(OC)c1 ZINC000026466153 571165882 /nfs/dbraw/zinc/16/58/82/571165882.db2.gz BVOZLOANEVAVJN-HSZRJFAPSA-N 1 2 373.456 5.090 40 0 FKABLO COc1ccc([C@H](Nc2cccc[nH+]2)c2c(C)[nH]c3ccccc32)c(OC)c1 ZINC000026466159 571166009 /nfs/dbraw/zinc/16/60/09/571166009.db2.gz BVOZLOANEVAVJN-QHCPKHFHSA-N 1 2 373.456 5.090 40 0 FKABLO Fc1ccc(-c2nn(-c3ccccc3)cc2Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000027987136 571114477 /nfs/dbraw/zinc/11/44/77/571114477.db2.gz SVIBKKSFDRECJW-UHFFFAOYSA-N 1 2 368.415 5.146 40 0 FKABLO Clc1c(C[NH+]2CCOCC2)c(-c2ccccc2)oc1-c1ccccc1 ZINC000031628122 571054879 /nfs/dbraw/zinc/05/48/79/571054879.db2.gz RMMUVYUNHPHWEI-UHFFFAOYSA-N 1 2 353.849 5.099 40 0 FKABLO Clc1ccc([C@@H]2[NH2+][C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716554 570798561 /nfs/dbraw/zinc/79/85/61/570798561.db2.gz PTSGIYDZVYWRDZ-BJKOFHAPSA-N 1 2 371.867 6.263 40 0 FKABLO Clc1ccc([C@H]2[NH2+][C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716557 570798477 /nfs/dbraw/zinc/79/84/77/570798477.db2.gz PTSGIYDZVYWRDZ-ZEQRLZLVSA-N 1 2 371.867 6.263 40 0 FKABLO Clc1ccc([C@@H]2[NH2+][C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716560 570798342 /nfs/dbraw/zinc/79/83/42/570798342.db2.gz PTSGIYDZVYWRDZ-DNQXCXABSA-N 1 2 371.867 6.263 40 0 FKABLO Clc1ccc([C@H]2[NH2+][C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716562 570798546 /nfs/dbraw/zinc/79/85/46/570798546.db2.gz PTSGIYDZVYWRDZ-RPWUZVMVSA-N 1 2 371.867 6.263 40 0 FKABLO CCOc1ccc([NH2+]CCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000032119691 568351492 /nfs/dbraw/zinc/35/14/92/568351492.db2.gz KFIUFEFHZJTTIE-UHFFFAOYSA-N 1 2 357.453 5.341 40 0 FKABLO CCOC(=O)c1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000034925921 204986620 /nfs/dbraw/zinc/98/66/20/204986620.db2.gz WXUOAROMNPWKKC-UHFFFAOYSA-N 1 2 360.335 5.174 40 0 FKABLO CCOC(=O)c1cccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c1 ZINC000034925930 570563741 /nfs/dbraw/zinc/56/37/41/570563741.db2.gz NRPWUZPETHJFHY-UHFFFAOYSA-N 1 2 360.335 5.174 40 0 FKABLO CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3C[C@H](c4ccccc4)[NH2+]N32)cc1 ZINC000036286711 571177977 /nfs/dbraw/zinc/17/79/77/571177977.db2.gz NNUWRAGPZLVXPM-AOHZBQACSA-N 1 2 372.468 5.169 40 0 FKABLO Cc1cc(Br)cn2cc(-c3ccc(Cl)c(Cl)c3)[nH+]c12 ZINC000036318662 207259167 /nfs/dbraw/zinc/25/91/67/207259167.db2.gz CATVVNVXOIDWST-UHFFFAOYSA-N 1 2 356.050 5.379 40 0 FKABLO CCOP(=O)(OCC)[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000038698551 208203410 /nfs/dbraw/zinc/20/34/10/208203410.db2.gz AOKOJVXMVZNASX-SFHVURJKSA-N 1 2 367.813 5.395 40 0 FKABLO CCOP(=O)(OCC)[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000038698553 208203911 /nfs/dbraw/zinc/20/39/11/208203911.db2.gz AOKOJVXMVZNASX-GOSISDBHSA-N 1 2 367.813 5.395 40 0 FKABLO CCOC(=O)c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000040164045 205061699 /nfs/dbraw/zinc/06/16/99/205061699.db2.gz VVNSORIEQFTJIC-UHFFFAOYSA-N 1 2 360.335 5.174 40 0 FKABLO CCOC(=O)c1cccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000040164047 208242181 /nfs/dbraw/zinc/24/21/81/208242181.db2.gz CVVKEHMVAFCPKJ-UHFFFAOYSA-N 1 2 360.335 5.174 40 0 FKABLO Cc1c2ccccc2[nH]c1C[N@@H+](Cc1cccnc1)Cc1ccccc1F ZINC000057796889 221094017 /nfs/dbraw/zinc/09/40/17/221094017.db2.gz UFGBBDDJBWICFT-UHFFFAOYSA-N 1 2 359.448 5.213 40 0 FKABLO Cc1c2ccccc2[nH]c1C[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000057796889 221094014 /nfs/dbraw/zinc/09/40/14/221094014.db2.gz UFGBBDDJBWICFT-UHFFFAOYSA-N 1 2 359.448 5.213 40 0 FKABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)o2)s1 ZINC000060016722 571135967 /nfs/dbraw/zinc/13/59/67/571135967.db2.gz MIBSYUDGLPSXMQ-HNNXBMFYSA-N 1 2 359.882 5.097 40 0 FKABLO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)o2)s1 ZINC000060016722 571135965 /nfs/dbraw/zinc/13/59/65/571135965.db2.gz MIBSYUDGLPSXMQ-HNNXBMFYSA-N 1 2 359.882 5.097 40 0 FKABLO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)o2)s1 ZINC000060016725 205283215 /nfs/dbraw/zinc/28/32/15/205283215.db2.gz MIBSYUDGLPSXMQ-OAHLLOKOSA-N 1 2 359.882 5.097 40 0 FKABLO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)o2)s1 ZINC000060016725 205283209 /nfs/dbraw/zinc/28/32/09/205283209.db2.gz MIBSYUDGLPSXMQ-OAHLLOKOSA-N 1 2 359.882 5.097 40 0 FKABLO O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060642482 221131808 /nfs/dbraw/zinc/13/18/08/221131808.db2.gz DVGCWNPZFNBZKS-UHFFFAOYSA-N 1 2 367.408 5.083 40 0 FKABLO CCOc1ccc(Nc2cc[nH+]c3c(C)cc(Cl)cc23)cc1OCC ZINC000065090609 221168530 /nfs/dbraw/zinc/16/85/30/221168530.db2.gz FMWDNKJPFRNPKE-UHFFFAOYSA-N 1 2 356.853 5.738 40 0 FKABLO Cc1cc2[nH+]c(-c3cccc4c(Br)cccc34)[nH]c2c(C)c1 ZINC000070462757 210063428 /nfs/dbraw/zinc/06/34/28/210063428.db2.gz YXIHQRPYSZRALU-UHFFFAOYSA-N 1 2 351.247 5.762 40 0 FKABLO Cc1cc2[nH+]c(-c3cc(Cl)c(Br)c(Cl)c3)[nH]c2c(C)c1 ZINC000070462779 571051919 /nfs/dbraw/zinc/05/19/19/571051919.db2.gz LRBOKYWGQUEWCP-UHFFFAOYSA-N 1 2 370.077 5.916 40 0 FKABLO CC(C)N(c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1)C(C)C ZINC000072212984 570528647 /nfs/dbraw/zinc/52/86/47/570528647.db2.gz AQESWKWTXXYMCW-SFHVURJKSA-N 1 2 361.530 5.167 40 0 FKABLO CC(C)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1)C(C)C ZINC000072212985 570528726 /nfs/dbraw/zinc/52/87/26/570528726.db2.gz AQESWKWTXXYMCW-GOSISDBHSA-N 1 2 361.530 5.167 40 0 FKABLO CC(C)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1)C(C)C ZINC000072212992 570528775 /nfs/dbraw/zinc/52/87/75/570528775.db2.gz IBJCFQWNAPVCKY-NRFANRHFSA-N 1 2 365.521 5.072 40 0 FKABLO CC(C)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1)C(C)C ZINC000072212993 570528433 /nfs/dbraw/zinc/52/84/33/570528433.db2.gz IBJCFQWNAPVCKY-OAQYLSRUSA-N 1 2 365.521 5.072 40 0 FKABLO CC(C)N(c1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C ZINC000072213044 570528750 /nfs/dbraw/zinc/52/87/50/570528750.db2.gz YAKAAFFUJZISGS-SFHVURJKSA-N 1 2 361.530 5.167 40 0 FKABLO CC(C)N(c1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C ZINC000072213045 570528521 /nfs/dbraw/zinc/52/85/21/570528521.db2.gz YAKAAFFUJZISGS-GOSISDBHSA-N 1 2 361.530 5.167 40 0 FKABLO CC(C)N(c1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1)C(C)C ZINC000072213052 570528458 /nfs/dbraw/zinc/52/84/58/570528458.db2.gz URHLFWXANUCVEU-NRFANRHFSA-N 1 2 365.521 5.072 40 0 FKABLO CC(C)N(c1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1)C(C)C ZINC000072213053 570528559 /nfs/dbraw/zinc/52/85/59/570528559.db2.gz URHLFWXANUCVEU-OAQYLSRUSA-N 1 2 365.521 5.072 40 0 FKABLO CC(C)CNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213284 570528662 /nfs/dbraw/zinc/52/86/62/570528662.db2.gz DRMLKRMPKXSMME-FQEVSTJZSA-N 1 2 367.493 5.013 40 0 FKABLO CC(C)CNc1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213285 570528508 /nfs/dbraw/zinc/52/85/08/570528508.db2.gz DRMLKRMPKXSMME-HXUWFJFHSA-N 1 2 367.493 5.013 40 0 FKABLO CC(C)CNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213344 570529003 /nfs/dbraw/zinc/52/90/03/570529003.db2.gz XKFLCPULKJZBBB-FQEVSTJZSA-N 1 2 367.493 5.013 40 0 FKABLO CC(C)CNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213345 570529277 /nfs/dbraw/zinc/52/92/77/570529277.db2.gz XKFLCPULKJZBBB-HXUWFJFHSA-N 1 2 367.493 5.013 40 0 FKABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213445 570528965 /nfs/dbraw/zinc/52/89/65/570528965.db2.gz HFZPQSYLGOYNSS-XLIONFOSSA-N 1 2 367.493 5.156 40 0 FKABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213446 570528926 /nfs/dbraw/zinc/52/89/26/570528926.db2.gz HFZPQSYLGOYNSS-PXNSSMCTSA-N 1 2 367.493 5.156 40 0 FKABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213447 570528898 /nfs/dbraw/zinc/52/88/98/570528898.db2.gz HFZPQSYLGOYNSS-YLJYHZDGSA-N 1 2 367.493 5.156 40 0 FKABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213448 570529243 /nfs/dbraw/zinc/52/92/43/570529243.db2.gz HFZPQSYLGOYNSS-FXAWDEMLSA-N 1 2 367.493 5.156 40 0 FKABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213557 570529157 /nfs/dbraw/zinc/52/91/57/570529157.db2.gz VVKJABXTCUZHES-XLIONFOSSA-N 1 2 367.493 5.156 40 0 FKABLO CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213558 570529107 /nfs/dbraw/zinc/52/91/07/570529107.db2.gz VVKJABXTCUZHES-PXNSSMCTSA-N 1 2 367.493 5.156 40 0 FKABLO CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213559 570529257 /nfs/dbraw/zinc/52/92/57/570529257.db2.gz VVKJABXTCUZHES-YLJYHZDGSA-N 1 2 367.493 5.156 40 0 FKABLO CC[C@H](C)Nc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213560 570529148 /nfs/dbraw/zinc/52/91/48/570529148.db2.gz VVKJABXTCUZHES-FXAWDEMLSA-N 1 2 367.493 5.156 40 0 FKABLO CCCCNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213628 570528944 /nfs/dbraw/zinc/52/89/44/570528944.db2.gz IJOSSKAETDQBCF-FQEVSTJZSA-N 1 2 367.493 5.157 40 0 FKABLO CCCCNc1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072213629 570528882 /nfs/dbraw/zinc/52/88/82/570528882.db2.gz IJOSSKAETDQBCF-HXUWFJFHSA-N 1 2 367.493 5.157 40 0 FKABLO CCCCNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213688 570529136 /nfs/dbraw/zinc/52/91/36/570529136.db2.gz ZACRTILONHFJAP-FQEVSTJZSA-N 1 2 367.493 5.157 40 0 FKABLO CCCCNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213689 570529273 /nfs/dbraw/zinc/52/92/73/570529273.db2.gz ZACRTILONHFJAP-HXUWFJFHSA-N 1 2 367.493 5.157 40 0 FKABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214046 570529670 /nfs/dbraw/zinc/52/96/70/570529670.db2.gz GLOWWJPETAKXFP-GOSISDBHSA-N 1 2 359.514 5.288 40 0 FKABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214047 570529527 /nfs/dbraw/zinc/52/95/27/570529527.db2.gz GLOWWJPETAKXFP-SFHVURJKSA-N 1 2 359.514 5.288 40 0 FKABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214054 570529405 /nfs/dbraw/zinc/52/94/05/570529405.db2.gz NFZFCEVOQOUUJI-OAQYLSRUSA-N 1 2 363.505 5.194 40 0 FKABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214055 570529644 /nfs/dbraw/zinc/52/96/44/570529644.db2.gz NFZFCEVOQOUUJI-NRFANRHFSA-N 1 2 363.505 5.194 40 0 FKABLO CC(C)(C)OC(=O)N(c1ccc(C2=[NH+]CCCC2)cn1)C1CCCCC1 ZINC000072215693 570532945 /nfs/dbraw/zinc/53/29/45/570532945.db2.gz CJJMMOCTWOKVBT-UHFFFAOYSA-N 1 2 357.498 5.129 40 0 FKABLO CC(C)(C)OC(=O)N(c1ncccc1C1=[NH+]CCCC1)C1CCCCC1 ZINC000072215753 570533018 /nfs/dbraw/zinc/53/30/18/570533018.db2.gz VMARLEXYIWDYFX-UHFFFAOYSA-N 1 2 357.498 5.129 40 0 FKABLO Cc1ccc2c(c1)c(-c1ccccc1)nc1[n+]2C(=O)C(c2ccccc2)S1 ZINC000072414060 570558245 /nfs/dbraw/zinc/55/82/45/570558245.db2.gz FKBVHUCUANASOL-UHFFFAOYSA-O 1 2 369.469 5.383 40 0 FKABLO COc1ccc(C)cc1[C@H]1CC(=O)[C@]2(C=C1C)C(C)=[NH+][C@@]1(C)CCCC[C@H]12 ZINC000085408692 571233612 /nfs/dbraw/zinc/23/36/12/571233612.db2.gz ZGEKFEQZCLSBIE-IZSMGAQTSA-N 1 2 365.517 5.416 40 0 FKABLO COc1ccc(C)cc1[C@@H]1CC(=O)[C@@]2(C=C1C)C(C)=[NH+][C@@]1(C)CCCC[C@@H]21 ZINC000085408697 571233701 /nfs/dbraw/zinc/23/37/01/571233701.db2.gz ZGEKFEQZCLSBIE-JIYUALFRSA-N 1 2 365.517 5.416 40 0 FKABLO COc1ccc(C)cc1[C@H]1CC(=O)[C@@]2(C=C1C)C(C)=[NH+][C@@]1(C)CCCC[C@@H]21 ZINC000085408700 571233604 /nfs/dbraw/zinc/23/36/04/571233604.db2.gz ZGEKFEQZCLSBIE-ZKZIVCHGSA-N 1 2 365.517 5.416 40 0 FKABLO CCCCCn1cc(C(=O)Oc2cccc3cc[nH+]cc32)c2ccccc21 ZINC000095803981 571331975 /nfs/dbraw/zinc/33/19/75/571331975.db2.gz FCEZWMICUGXUDA-UHFFFAOYSA-N 1 2 358.441 5.599 40 0 in-vitro FKABLO CCCCN(CC)c1[nH+]cnc2c1c(C)cn2-c1c(C)cc(C)cc1C ZINC000098175545 209206577 /nfs/dbraw/zinc/20/65/77/209206577.db2.gz WUZMKYMGGUQSBC-UHFFFAOYSA-N 1 2 350.510 5.281 40 0 FKABLO Cc1ccc([C@@H]2[C@H]3C(c4ccccc4)=[NH+]C=C[C@@H](c4ccccc4)N23)cc1 ZINC000104145803 209258651 /nfs/dbraw/zinc/25/86/51/209258651.db2.gz QGYCSPJHNUOMPZ-WDGKENEZSA-N 1 2 350.465 5.478 40 0 FKABLO Cc1ccc([C@H]2[C@H]3C(c4ccccc4)=[NH+]C=C[C@@H](c4ccccc4)N23)cc1 ZINC000104145807 222351412 /nfs/dbraw/zinc/35/14/12/222351412.db2.gz QGYCSPJHNUOMPZ-UWLCSTEFSA-N 1 2 350.465 5.478 40 0 FKABLO Cc1ccc([C@@H]2[C@@H]3C(c4ccccc4)=[NH+]C=C[C@@H](c4ccccc4)N23)cc1 ZINC000104145810 209258314 /nfs/dbraw/zinc/25/83/14/209258314.db2.gz QGYCSPJHNUOMPZ-FOHCBJOKSA-N 1 2 350.465 5.478 40 0 FKABLO Cc1ccc([C@H]2[C@@H]3C(c4ccccc4)=[NH+]C=C[C@@H](c4ccccc4)N32)cc1 ZINC000104145814 209258738 /nfs/dbraw/zinc/25/87/38/209258738.db2.gz QGYCSPJHNUOMPZ-NDTJKBBYSA-N 1 2 350.465 5.478 40 0 FKABLO CC(C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000144188868 571307311 /nfs/dbraw/zinc/30/73/11/571307311.db2.gz QLLINPRYZWQYDE-UHFFFAOYSA-N 1 2 373.287 6.014 40 0 FKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000219850309 132274714 /nfs/dbraw/zinc/27/47/14/132274714.db2.gz RBMZSTBUJOCICQ-UHFFFAOYSA-N 1 2 363.288 5.157 40 0 FKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000219850668 132274670 /nfs/dbraw/zinc/27/46/70/132274670.db2.gz CJLHWQHMNHAHOY-UHFFFAOYSA-N 1 2 363.288 5.157 40 0 FKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 ZINC000219856639 132274982 /nfs/dbraw/zinc/27/49/82/132274982.db2.gz YTTJCDOULSFYFZ-UHFFFAOYSA-N 1 2 350.506 5.282 40 0 FKABLO CCCCc1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219856992 535090119 /nfs/dbraw/zinc/09/01/19/535090119.db2.gz XDULZUAXMLEWAE-UHFFFAOYSA-N 1 2 350.506 5.193 40 0 FKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000219857869 132275165 /nfs/dbraw/zinc/27/51/65/132275165.db2.gz UPEICYDBZLGRLW-UHFFFAOYSA-N 1 2 363.288 5.157 40 0 FKABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)cc1 ZINC000219863805 132275155 /nfs/dbraw/zinc/27/51/55/132275155.db2.gz LUABVMKYVRIEIC-QHCPKHFHSA-N 1 2 364.533 5.115 40 0 FKABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)cc1 ZINC000219863847 132275060 /nfs/dbraw/zinc/27/50/60/132275060.db2.gz LUABVMKYVRIEIC-HSZRJFAPSA-N 1 2 364.533 5.115 40 0 FKABLO CC[C@@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 ZINC000219865402 132275144 /nfs/dbraw/zinc/27/51/44/132275144.db2.gz TUXXAWDDSMJPHQ-HSZRJFAPSA-N 1 2 364.533 5.096 40 0 FKABLO CC[C@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(C)c(C)c1 ZINC000219865452 132275183 /nfs/dbraw/zinc/27/51/83/132275183.db2.gz TUXXAWDDSMJPHQ-QHCPKHFHSA-N 1 2 364.533 5.096 40 0 FKABLO CC[C@@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(C)cc1C ZINC000219865518 132275197 /nfs/dbraw/zinc/27/51/97/132275197.db2.gz RAHOARYKPBCMFW-HSZRJFAPSA-N 1 2 364.533 5.096 40 0 FKABLO CC[C@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(C)cc1C ZINC000219865569 132275083 /nfs/dbraw/zinc/27/50/83/132275083.db2.gz RAHOARYKPBCMFW-QHCPKHFHSA-N 1 2 364.533 5.096 40 0 FKABLO CC(C)(C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000242550411 571316639 /nfs/dbraw/zinc/31/66/39/571316639.db2.gz CATWKXDGTAIDHZ-UHFFFAOYSA-N 1 2 366.896 5.620 40 0 FKABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000242729690 571316592 /nfs/dbraw/zinc/31/65/92/571316592.db2.gz DCJQPAHGIRXCDU-UHFFFAOYSA-N 1 2 374.488 5.119 40 0 FKABLO CC(C)(C)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000242761232 571316637 /nfs/dbraw/zinc/31/66/37/571316637.db2.gz DMMYDKMYTADMNI-UHFFFAOYSA-N 1 2 366.896 5.620 40 0 FKABLO CC[C@@H](C)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000242809282 571316633 /nfs/dbraw/zinc/31/66/33/571316633.db2.gz FINLCJSZWLLYLT-CYBMUJFWSA-N 1 2 354.404 5.376 40 0 FKABLO CC[C@H](C)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000242809283 571316614 /nfs/dbraw/zinc/31/66/14/571316614.db2.gz FINLCJSZWLLYLT-ZDUSSCGKSA-N 1 2 354.404 5.376 40 0 FKABLO FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000242830716 571316628 /nfs/dbraw/zinc/31/66/28/571316628.db2.gz FQFIOTPWLAAGHW-UHFFFAOYSA-N 1 2 370.378 5.480 40 0 FKABLO CC[C@H](C)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000242955408 571316603 /nfs/dbraw/zinc/31/66/03/571316603.db2.gz HHJUSYLMKJBNBF-HNNXBMFYSA-N 1 2 350.441 5.105 40 0 FKABLO CC[C@@H](C)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000242955409 571316612 /nfs/dbraw/zinc/31/66/12/571316612.db2.gz HHJUSYLMKJBNBF-OAHLLOKOSA-N 1 2 350.441 5.105 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000242989735 206118250 /nfs/dbraw/zinc/11/82/50/206118250.db2.gz HTGGAAYEPYOLOQ-UHFFFAOYSA-N 1 2 352.869 5.751 40 0 FKABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1Cl ZINC000243036311 206118901 /nfs/dbraw/zinc/11/89/01/206118901.db2.gz IDAPCADMZNKFCO-UHFFFAOYSA-N 1 2 354.816 5.254 40 0 FKABLO Fc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000243190338 571316556 /nfs/dbraw/zinc/31/65/56/571316556.db2.gz JZIQDHYTHYCXFI-UHFFFAOYSA-N 1 2 362.452 5.249 40 0 FKABLO CC(C)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000243250479 222921498 /nfs/dbraw/zinc/92/14/98/222921498.db2.gz KPILJWWZJAFDHA-UHFFFAOYSA-N 1 2 352.869 5.229 40 0 FKABLO COc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000243267032 571316570 /nfs/dbraw/zinc/31/65/70/571316570.db2.gz KWKHAKSHYSKBKA-UHFFFAOYSA-N 1 2 360.461 5.250 40 0 FKABLO FC(F)(F)c1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000243316976 206120371 /nfs/dbraw/zinc/12/03/71/206120371.db2.gz LLANZFZTOAQONC-UHFFFAOYSA-N 1 2 370.378 5.480 40 0 FKABLO COc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000243380809 209366147 /nfs/dbraw/zinc/36/61/47/209366147.db2.gz MGPZTTQFKORROF-UHFFFAOYSA-N 1 2 368.868 5.370 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000243418289 571316563 /nfs/dbraw/zinc/31/65/63/571316563.db2.gz MSDPFSUYASCNNX-UHFFFAOYSA-N 1 2 352.869 5.751 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000243504001 206120349 /nfs/dbraw/zinc/12/03/49/206120349.db2.gz NXBKFHFTGBALAO-UHFFFAOYSA-N 1 2 354.404 5.376 40 0 FKABLO CC[C@H](C)Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000243526520 571316610 /nfs/dbraw/zinc/31/66/10/571316610.db2.gz OAVSGEITXUDFDG-HNNXBMFYSA-N 1 2 350.441 5.105 40 0 FKABLO CC[C@@H](C)Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000243526521 206120625 /nfs/dbraw/zinc/12/06/25/206120625.db2.gz OAVSGEITXUDFDG-OAHLLOKOSA-N 1 2 350.441 5.105 40 0 FKABLO CC(C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000243782914 209365993 /nfs/dbraw/zinc/36/59/93/209365993.db2.gz QGHQJWDIUJTCGN-UHFFFAOYSA-N 1 2 352.869 5.229 40 0 FKABLO CC(C)(C)Nc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000243783226 571316641 /nfs/dbraw/zinc/31/66/41/571316641.db2.gz QGMJKECAQKIVDS-UHFFFAOYSA-N 1 2 352.869 5.751 40 0 FKABLO Fc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000243817334 209366196 /nfs/dbraw/zinc/36/61/96/209366196.db2.gz QTEXNURIPSSSID-UHFFFAOYSA-N 1 2 362.452 5.249 40 0 FKABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1 ZINC000243821788 209365611 /nfs/dbraw/zinc/36/56/11/209365611.db2.gz QVQBOVPVTMXAAM-UHFFFAOYSA-N 1 2 362.477 5.496 40 0 FKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1Cl ZINC000243868570 571316605 /nfs/dbraw/zinc/31/66/05/571316605.db2.gz RLMCWOAZKNFNJD-UHFFFAOYSA-N 1 2 350.853 5.423 40 0 FKABLO CC(C)(C)Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000244097231 570770239 /nfs/dbraw/zinc/77/02/39/570770239.db2.gz UHCOQKWWMDDOQD-UHFFFAOYSA-N 1 2 350.441 5.105 40 0 FKABLO CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000244139010 209365798 /nfs/dbraw/zinc/36/57/98/209365798.db2.gz UODXYCYIDJTDOP-UHFFFAOYSA-N 1 2 372.394 5.726 40 0 FKABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000244144862 206119313 /nfs/dbraw/zinc/11/93/13/206119313.db2.gz URLAFOKZBWHRRV-UHFFFAOYSA-N 1 2 360.461 5.250 40 0 FKABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CC)n2)cc1 ZINC000244148861 571316625 /nfs/dbraw/zinc/31/66/25/571316625.db2.gz UTRSPQVSILFACD-INIZCTEOSA-N 1 2 362.477 5.496 40 0 FKABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CC)n2)cc1 ZINC000244148862 209366354 /nfs/dbraw/zinc/36/63/54/209366354.db2.gz UTRSPQVSILFACD-MRXNPFEDSA-N 1 2 362.477 5.496 40 0 FKABLO FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000244165443 209366460 /nfs/dbraw/zinc/36/64/60/209366460.db2.gz VAKXIJOBDXNDFH-UHFFFAOYSA-N 1 2 370.378 5.480 40 0 FKABLO CC(C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000244238627 209366404 /nfs/dbraw/zinc/36/64/04/209366404.db2.gz WFQQEPDTUQIQOA-UHFFFAOYSA-N 1 2 356.832 5.500 40 0 FKABLO CC(C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000244330321 222924954 /nfs/dbraw/zinc/92/49/54/222924954.db2.gz XNPDQLUFKUAADN-UHFFFAOYSA-N 1 2 372.394 5.726 40 0 FKABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000244445766 571316630 /nfs/dbraw/zinc/31/66/30/571316630.db2.gz YYUQHZCSQGYDBV-UHFFFAOYSA-N 1 2 350.853 5.423 40 0 FKABLO CC(C)(C)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000244474926 571316687 /nfs/dbraw/zinc/31/66/87/571316687.db2.gz ZIQGYWLNHIIGGB-UHFFFAOYSA-N 1 2 350.441 5.105 40 0 FKABLO C[C@@H]1CCC[C@H]([N@H+]2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)[C@H]1C ZINC000251656705 571317311 /nfs/dbraw/zinc/31/73/11/571317311.db2.gz FVTHMBPMOXVALS-DXIQSLLYSA-N 1 2 374.532 5.098 40 0 FKABLO C[C@@H]1CCC[C@H]([N@@H+]2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)[C@H]1C ZINC000251656705 571317309 /nfs/dbraw/zinc/31/73/09/571317309.db2.gz FVTHMBPMOXVALS-DXIQSLLYSA-N 1 2 374.532 5.098 40 0 FKABLO C[C@@H]1CCC[C@@H]([N@H+]2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)[C@H]1C ZINC000251656712 571317263 /nfs/dbraw/zinc/31/72/63/571317263.db2.gz FVTHMBPMOXVALS-XQBPLPMBSA-N 1 2 374.532 5.098 40 0 FKABLO C[C@@H]1CCC[C@@H]([N@@H+]2Cn3c4ccccc4nc3N(Cc3ccccc3)C2)[C@H]1C ZINC000251656712 571317261 /nfs/dbraw/zinc/31/72/61/571317261.db2.gz FVTHMBPMOXVALS-XQBPLPMBSA-N 1 2 374.532 5.098 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328957960 526335492 /nfs/dbraw/zinc/33/54/92/526335492.db2.gz AMZXAPHVOSBCOO-UHFFFAOYSA-N 1 2 370.859 5.312 40 0 FKABLO CC(C)(C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000328961602 526338005 /nfs/dbraw/zinc/33/80/05/526338005.db2.gz BELLZWBLWUDZGU-UHFFFAOYSA-N 1 2 351.281 5.037 40 0 FKABLO Cc1c(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cccc1C(F)(F)F ZINC000328963481 571319149 /nfs/dbraw/zinc/31/91/49/571319149.db2.gz BOTCVVLCHZGXGI-UHFFFAOYSA-N 1 2 364.415 5.057 40 0 FKABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328964591 210128006 /nfs/dbraw/zinc/12/80/06/210128006.db2.gz BWOFPNNUUPYWDY-UHFFFAOYSA-N 1 2 362.452 5.193 40 0 FKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)ccc1F ZINC000328964899 223126817 /nfs/dbraw/zinc/12/68/17/223126817.db2.gz BXVONHGFJNTWJC-UHFFFAOYSA-N 1 2 350.441 5.545 40 0 FKABLO CC(C)(C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000328964947 571319193 /nfs/dbraw/zinc/31/91/93/571319193.db2.gz BZCKXOZFSMQBQB-UHFFFAOYSA-N 1 2 351.281 5.037 40 0 FKABLO CC(C)(C)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000328965568 571319174 /nfs/dbraw/zinc/31/91/74/571319174.db2.gz CEFWUYVGXSOFHC-UHFFFAOYSA-N 1 2 358.489 5.181 40 0 FKABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)c(C)c1 ZINC000328968097 206725421 /nfs/dbraw/zinc/72/54/21/206725421.db2.gz CXWLXRGPKQVPSD-UHFFFAOYSA-N 1 2 360.505 5.445 40 0 FKABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000328972202 533043063 /nfs/dbraw/zinc/04/30/63/533043063.db2.gz DVKLBNXVCIUUGQ-UHFFFAOYSA-N 1 2 364.518 5.241 40 0 FKABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)ccc1C(C)C ZINC000328975696 210127312 /nfs/dbraw/zinc/12/73/12/210127312.db2.gz FLPOYPUHVDJVEH-UHFFFAOYSA-N 1 2 350.510 5.306 40 0 FKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)ccc1F ZINC000328976332 210127386 /nfs/dbraw/zinc/12/73/86/210127386.db2.gz FOEKJXCKRLTJDT-UHFFFAOYSA-N 1 2 362.452 5.111 40 0 FKABLO Cc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1C ZINC000328977829 571319232 /nfs/dbraw/zinc/31/92/32/571319232.db2.gz FWIBZIAYMUQRCZ-UHFFFAOYSA-N 1 2 372.516 5.092 40 0 FKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)ccc1C(C)C ZINC000328981154 571319239 /nfs/dbraw/zinc/31/92/39/571319239.db2.gz GRHDIUKHPLYWAJ-UHFFFAOYSA-N 1 2 360.505 5.561 40 0 FKABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000328981964 571319227 /nfs/dbraw/zinc/31/92/27/571319227.db2.gz GXHSZPGTGWLKKZ-UHFFFAOYSA-N 1 2 360.505 5.390 40 0 FKABLO Cc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328983581 203845894 /nfs/dbraw/zinc/84/58/94/203845894.db2.gz HHELMVFYEYWQLN-UHFFFAOYSA-N 1 2 372.516 5.092 40 0 FKABLO Cc1cc(N2Cc3ccccc3C[C@@H]2C)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000328992493 132372419 /nfs/dbraw/zinc/37/24/19/132372419.db2.gz IVUGPPXMDQWGBE-HNNXBMFYSA-N 1 2 364.880 5.133 40 0 FKABLO Cc1cc(N2Cc3ccccc3C[C@H]2C)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000328992494 132372297 /nfs/dbraw/zinc/37/22/97/132372297.db2.gz IVUGPPXMDQWGBE-OAHLLOKOSA-N 1 2 364.880 5.133 40 0 FKABLO CC(C)c1nc(Nc2ccccc2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000328992599 132372430 /nfs/dbraw/zinc/37/24/30/132372430.db2.gz IXPHHSUMEDQSGZ-UHFFFAOYSA-N 1 2 372.516 5.641 40 0 FKABLO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(Nc2ccccc2)[nH+]1 ZINC000328992599 132372429 /nfs/dbraw/zinc/37/24/29/132372429.db2.gz IXPHHSUMEDQSGZ-UHFFFAOYSA-N 1 2 372.516 5.641 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328993768 571319241 /nfs/dbraw/zinc/31/92/41/571319241.db2.gz JBIVMKHBKFJFNK-UHFFFAOYSA-N 1 2 351.281 5.037 40 0 FKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328993797 223128405 /nfs/dbraw/zinc/12/84/05/223128405.db2.gz JCCQTMKGRUCMPS-UHFFFAOYSA-N 1 2 358.489 5.362 40 0 FKABLO Cc1nc(N2Cc3ccccc3C[C@@H]2C)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000328996582 132372222 /nfs/dbraw/zinc/37/22/22/132372222.db2.gz JKJIRUMMOZARNH-AWEZNQCLSA-N 1 2 364.880 5.133 40 0 FKABLO Cc1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000328996582 132372221 /nfs/dbraw/zinc/37/22/21/132372221.db2.gz JKJIRUMMOZARNH-AWEZNQCLSA-N 1 2 364.880 5.133 40 0 FKABLO Cc1nc(N2Cc3ccccc3C[C@H]2C)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000328996584 132372425 /nfs/dbraw/zinc/37/24/25/132372425.db2.gz JKJIRUMMOZARNH-CQSZACIVSA-N 1 2 364.880 5.133 40 0 FKABLO Cc1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000328996584 132372424 /nfs/dbraw/zinc/37/24/24/132372424.db2.gz JKJIRUMMOZARNH-CQSZACIVSA-N 1 2 364.880 5.133 40 0 FKABLO CC(C)c1nc(Nc2ccccc2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329001607 132372264 /nfs/dbraw/zinc/37/22/64/132372264.db2.gz KFHSLHDXXRLLIM-UHFFFAOYSA-N 1 2 372.516 5.685 40 0 FKABLO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(Nc2ccccc2)[nH+]1 ZINC000329001607 132372263 /nfs/dbraw/zinc/37/22/63/132372263.db2.gz KFHSLHDXXRLLIM-UHFFFAOYSA-N 1 2 372.516 5.685 40 0 FKABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000329001649 571319195 /nfs/dbraw/zinc/31/91/95/571319195.db2.gz KFOKOWHBQDTVJB-UHFFFAOYSA-N 1 2 366.896 5.481 40 0 FKABLO CC(C)(C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329003952 526336124 /nfs/dbraw/zinc/33/61/24/526336124.db2.gz KPQAMDIFKPYWEL-UHFFFAOYSA-N 1 2 351.281 5.037 40 0 FKABLO CC(C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329005163 529115281 /nfs/dbraw/zinc/11/52/81/529115281.db2.gz KVPDDIQYFXPBFT-UHFFFAOYSA-N 1 2 360.505 5.427 40 0 FKABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000329005329 571319200 /nfs/dbraw/zinc/31/92/00/571319200.db2.gz KXYJAILMKJAGSA-UHFFFAOYSA-N 1 2 364.415 5.057 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329011534 210131743 /nfs/dbraw/zinc/13/17/43/210131743.db2.gz MGPFZCGEDKTKEC-UHFFFAOYSA-N 1 2 350.388 5.327 40 0 FKABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000329013483 210131638 /nfs/dbraw/zinc/13/16/38/210131638.db2.gz MPTCSTSLKSCDOD-UHFFFAOYSA-N 1 2 350.441 5.545 40 0 FKABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329016843 571319219 /nfs/dbraw/zinc/31/92/19/571319219.db2.gz NISGJTGKHJONJS-AWEZNQCLSA-N 1 2 352.869 5.173 40 0 FKABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329016844 210131394 /nfs/dbraw/zinc/13/13/94/210131394.db2.gz NISGJTGKHJONJS-CQSZACIVSA-N 1 2 352.869 5.173 40 0 FKABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329022588 571319212 /nfs/dbraw/zinc/31/92/12/571319212.db2.gz ONHZGLUBDBOQQW-UHFFFAOYSA-N 1 2 364.415 5.057 40 0 FKABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329026264 210131509 /nfs/dbraw/zinc/13/15/09/210131509.db2.gz PLMFPXFHNLGIMO-HNNXBMFYSA-N 1 2 366.896 5.481 40 0 FKABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329026265 529357512 /nfs/dbraw/zinc/35/75/12/529357512.db2.gz PLMFPXFHNLGIMO-OAHLLOKOSA-N 1 2 366.896 5.481 40 0 FKABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c(C)c1 ZINC000329026523 223129432 /nfs/dbraw/zinc/12/94/32/223129432.db2.gz PMOBNMVGYBGNRB-UHFFFAOYSA-N 1 2 372.516 5.011 40 0 FKABLO Cc1cc(C)cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329026907 571319198 /nfs/dbraw/zinc/31/91/98/571319198.db2.gz PPFNAIMRKFWDGE-UHFFFAOYSA-N 1 2 372.516 5.092 40 0 FKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1Cl ZINC000329027345 571319224 /nfs/dbraw/zinc/31/92/24/571319224.db2.gz PSBJYTIKCDLAMQ-UHFFFAOYSA-N 1 2 366.896 5.481 40 0 FKABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)ccc1C(C)C ZINC000329030357 223129576 /nfs/dbraw/zinc/12/95/76/223129576.db2.gz QDMDHFBRHZVYDP-UHFFFAOYSA-N 1 2 364.537 5.696 40 0 FKABLO CC1(C)Cc2ccccc2CN1c1cc(Nc2ccccc2)nc(C2CC2)[nH+]1 ZINC000329031765 132372892 /nfs/dbraw/zinc/37/28/92/132372892.db2.gz QLENMBUJYYCZAE-UHFFFAOYSA-N 1 2 370.500 5.439 40 0 FKABLO CC1(C)Cc2ccccc2CN1c1cc(Nc2ccccc2)[nH+]c(C2CC2)n1 ZINC000329031765 132372891 /nfs/dbraw/zinc/37/28/91/132372891.db2.gz QLENMBUJYYCZAE-UHFFFAOYSA-N 1 2 370.500 5.439 40 0 FKABLO CC(C)(C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329033721 571319234 /nfs/dbraw/zinc/31/92/34/571319234.db2.gz QVFILJIMSQYPAW-UHFFFAOYSA-N 1 2 366.896 5.041 40 0 FKABLO CC1(C)CN(c2cc(Nc3ccccc3)nc(C3CC3)[nH+]2)Cc2ccccc21 ZINC000329035434 132372933 /nfs/dbraw/zinc/37/29/33/132372933.db2.gz RETBARZIRZTOFS-UHFFFAOYSA-N 1 2 370.500 5.395 40 0 FKABLO CC1(C)CN(c2cc(Nc3ccccc3)[nH+]c(C3CC3)n2)Cc2ccccc21 ZINC000329035434 132372932 /nfs/dbraw/zinc/37/29/32/132372932.db2.gz RETBARZIRZTOFS-UHFFFAOYSA-N 1 2 370.500 5.395 40 0 FKABLO Clc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329037055 203846523 /nfs/dbraw/zinc/84/65/23/203846523.db2.gz RLQUMIOONWRDRW-UHFFFAOYSA-N 1 2 364.880 5.317 40 0 FKABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)ccc1Cl ZINC000329040810 223130631 /nfs/dbraw/zinc/13/06/31/223130631.db2.gz SGAWTJJVYNAMPP-UHFFFAOYSA-N 1 2 356.901 5.226 40 0 FKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)ccc1Cl ZINC000329045542 223130795 /nfs/dbraw/zinc/13/07/95/223130795.db2.gz TWLBSEPFHSVEEQ-UHFFFAOYSA-N 1 2 366.896 6.059 40 0 FKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)c(Cl)c1 ZINC000329047654 223131399 /nfs/dbraw/zinc/13/13/99/223131399.db2.gz UFYFFWXPROYCAW-UHFFFAOYSA-N 1 2 366.896 5.481 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329049064 571319230 /nfs/dbraw/zinc/31/92/30/571319230.db2.gz UNJWRMFUIBFPSD-UHFFFAOYSA-N 1 2 351.281 5.037 40 0 FKABLO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(Nc2ccccc2)[nH+]1 ZINC000329050011 132373001 /nfs/dbraw/zinc/37/30/01/132373001.db2.gz URIUDDFFUJJQDD-UHFFFAOYSA-N 1 2 358.489 5.124 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329051475 571319215 /nfs/dbraw/zinc/31/92/15/571319215.db2.gz UYADGWYSLVAIRO-UHFFFAOYSA-N 1 2 370.859 5.312 40 0 FKABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329051890 571319204 /nfs/dbraw/zinc/31/92/04/571319204.db2.gz UYMDTYMUMVZHCG-UHFFFAOYSA-N 1 2 374.488 5.062 40 0 FKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)ccc1Cl ZINC000329052585 571319207 /nfs/dbraw/zinc/31/92/07/571319207.db2.gz VCOJSDJUUIACHC-UHFFFAOYSA-N 1 2 352.869 5.091 40 0 FKABLO CC(C)(C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329053973 526337471 /nfs/dbraw/zinc/33/74/71/526337471.db2.gz VIRZLUOLUSEJIO-UHFFFAOYSA-N 1 2 374.532 6.395 40 0 FKABLO Cc1ccc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329056105 533675994 /nfs/dbraw/zinc/67/59/94/533675994.db2.gz VQWKHCLSHJAXCT-UHFFFAOYSA-N 1 2 372.516 5.092 40 0 FKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)ccc1C(C)C ZINC000329059164 210133160 /nfs/dbraw/zinc/13/31/60/210133160.db2.gz WGJKLLBAHSOZNF-UHFFFAOYSA-N 1 2 374.532 6.529 40 0 FKABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000329060252 533019181 /nfs/dbraw/zinc/01/91/81/533019181.db2.gz WKNNXUINHICQDC-UHFFFAOYSA-N 1 2 364.518 5.241 40 0 FKABLO CC(C)(C)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329060304 571319246 /nfs/dbraw/zinc/31/92/46/571319246.db2.gz WLDWHMNKFIWCQV-UHFFFAOYSA-N 1 2 351.281 5.037 40 0 FKABLO C[C@H]1Cc2ccccc2CN1c1cc(Nc2ccccc2)nc(C2CC2)[nH+]1 ZINC000329060843 571319283 /nfs/dbraw/zinc/31/92/83/571319283.db2.gz WOTMGJYYSUOLAX-INIZCTEOSA-N 1 2 356.473 5.049 40 0 FKABLO C[C@H]1Cc2ccccc2CN1c1cc(Nc2ccccc2)[nH+]c(C2CC2)n1 ZINC000329060843 571319282 /nfs/dbraw/zinc/31/92/82/571319282.db2.gz WOTMGJYYSUOLAX-INIZCTEOSA-N 1 2 356.473 5.049 40 0 FKABLO C[C@@H]1Cc2ccccc2CN1c1cc(Nc2ccccc2)nc(C2CC2)[nH+]1 ZINC000329060845 571319264 /nfs/dbraw/zinc/31/92/64/571319264.db2.gz WOTMGJYYSUOLAX-MRXNPFEDSA-N 1 2 356.473 5.049 40 0 FKABLO C[C@@H]1Cc2ccccc2CN1c1cc(Nc2ccccc2)[nH+]c(C2CC2)n1 ZINC000329060845 571319263 /nfs/dbraw/zinc/31/92/63/571319263.db2.gz WOTMGJYYSUOLAX-MRXNPFEDSA-N 1 2 356.473 5.049 40 0 FKABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329061356 571319269 /nfs/dbraw/zinc/31/92/69/571319269.db2.gz WSGWTHKNXOYQRB-UHFFFAOYSA-N 1 2 362.452 5.111 40 0 FKABLO CC(C)(C)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329062822 571319274 /nfs/dbraw/zinc/31/92/74/571319274.db2.gz WZKRJMADONKEQX-UHFFFAOYSA-N 1 2 364.537 5.562 40 0 FKABLO CC(C)(C)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329064681 526784376 /nfs/dbraw/zinc/78/43/76/526784376.db2.gz XLPDJODZPYHBNM-UHFFFAOYSA-N 1 2 350.510 5.172 40 0 FKABLO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(Nc2ccccc2)[nH+]1 ZINC000329064710 132372989 /nfs/dbraw/zinc/37/29/89/132372989.db2.gz XMLHMTGYULUMIZ-UHFFFAOYSA-N 1 2 358.489 5.080 40 0 FKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329065369 529357494 /nfs/dbraw/zinc/35/74/94/529357494.db2.gz XQRTZGJTJKSIRN-GOSISDBHSA-N 1 2 374.532 5.951 40 0 FKABLO CC[C@H](C)Nc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329065381 529702418 /nfs/dbraw/zinc/70/24/18/529702418.db2.gz XQRTZGJTJKSIRN-SFHVURJKSA-N 1 2 374.532 5.951 40 0 FKABLO CC(C)c1nc(Nc2ccccc2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329068051 132373216 /nfs/dbraw/zinc/37/32/16/132373216.db2.gz YNMGPTPLIVXONK-KRWDZBQOSA-N 1 2 358.489 5.295 40 0 FKABLO CC(C)c1nc(N2Cc3ccccc3C[C@@H]2C)cc(Nc2ccccc2)[nH+]1 ZINC000329068051 132373215 /nfs/dbraw/zinc/37/32/15/132373215.db2.gz YNMGPTPLIVXONK-KRWDZBQOSA-N 1 2 358.489 5.295 40 0 FKABLO CC(C)c1nc(Nc2ccccc2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000329068052 132373194 /nfs/dbraw/zinc/37/31/94/132373194.db2.gz YNMGPTPLIVXONK-QGZVFWFLSA-N 1 2 358.489 5.295 40 0 FKABLO CC(C)c1nc(N2Cc3ccccc3C[C@H]2C)cc(Nc2ccccc2)[nH+]1 ZINC000329068052 132373193 /nfs/dbraw/zinc/37/31/93/132373193.db2.gz YNMGPTPLIVXONK-QGZVFWFLSA-N 1 2 358.489 5.295 40 0 FKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)ccc1C(C)C ZINC000329068630 571319289 /nfs/dbraw/zinc/31/92/89/571319289.db2.gz YRLFDPKGLBBPTC-UHFFFAOYSA-N 1 2 358.489 5.315 40 0 FKABLO CC[C@H](C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329071945 571319258 /nfs/dbraw/zinc/31/92/58/571319258.db2.gz ZTXXJJCNGSAKSS-KRWDZBQOSA-N 1 2 374.532 5.817 40 0 FKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329071948 571319286 /nfs/dbraw/zinc/31/92/86/571319286.db2.gz ZTXXJJCNGSAKSS-QGZVFWFLSA-N 1 2 374.532 5.817 40 0 FKABLO