smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(C#C[Si](C)(C)C)c1 ZINC001164715651 720191531 /nfs/dbraw/zinc/19/15/31/720191531.db2.gz LXXFOJORIRQTRX-JOCHJYFZSA-N 1 0 452.679 2.964 20 30 JFEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843278 720627691 /nfs/dbraw/zinc/62/76/91/720627691.db2.gz XKOQPTJSRREFSX-IVAOSVALSA-N 1 0 465.602 3.000 20 30 JFEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843283 720628756 /nfs/dbraw/zinc/62/87/56/720628756.db2.gz XKOQPTJSRREFSX-PLACYPQZSA-N 1 0 465.602 3.000 20 30 JFEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751013 720840648 /nfs/dbraw/zinc/84/06/48/720840648.db2.gz XRYLRMKYPUSOTL-SYYKKAFVSA-N 1 0 462.602 2.909 20 30 JFEDRO COC(=O)c1cc(C#N)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750556 720930527 /nfs/dbraw/zinc/93/05/27/720930527.db2.gz JUKXVUYJKSIJRH-GJZUVCINSA-N 1 0 461.566 2.890 20 30 JFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2 ZINC001164754319 720968880 /nfs/dbraw/zinc/96/88/80/720968880.db2.gz PQRRLRWEJCNBDK-UHFFFAOYSA-N 1 0 467.917 2.636 20 30 JFEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC2)C1 ZINC001164875736 721292852 /nfs/dbraw/zinc/29/28/52/721292852.db2.gz GHMWMPWPIWFODK-UHFFFAOYSA-N 1 0 484.988 2.801 20 30 JFEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC2)C1 ZINC001164879614 721292913 /nfs/dbraw/zinc/29/29/13/721292913.db2.gz XFLHCBBKDDDIKX-UHFFFAOYSA-N 1 0 484.988 2.801 20 30 JFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1 ZINC001164892786 721448262 /nfs/dbraw/zinc/44/82/62/721448262.db2.gz YFRPRKLUTLIUCM-HYBUGGRVSA-N 1 0 450.543 2.780 20 30 JFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1 ZINC001164892785 721448426 /nfs/dbraw/zinc/44/84/26/721448426.db2.gz YFRPRKLUTLIUCM-GBXCKJPGSA-N 1 0 450.543 2.780 20 30 JFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1 ZINC001164892787 721448516 /nfs/dbraw/zinc/44/85/16/721448516.db2.gz YFRPRKLUTLIUCM-RDPSFJRHSA-N 1 0 450.543 2.780 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903494 721553981 /nfs/dbraw/zinc/55/39/81/721553981.db2.gz BNNLVEGJINETCE-YZGWKJHDSA-N 1 0 461.497 2.891 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963277 722059864 /nfs/dbraw/zinc/05/98/64/722059864.db2.gz VGLRYAJNHULIPZ-OAQYLSRUSA-N 1 0 486.576 2.924 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983107 722108765 /nfs/dbraw/zinc/10/87/65/722108765.db2.gz YHLQBJBPKUKGBR-FXAWDEMLSA-N 1 0 455.946 2.906 20 30 JFEDRO CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001265828612 1059930794 /nfs/dbraw/zinc/93/07/94/1059930794.db2.gz QYDADOAWODZOKX-DHIUTWEWSA-N 1 0 459.550 2.886 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286269706 1060028420 /nfs/dbraw/zinc/02/84/20/1060028420.db2.gz HMYIBPYYEZMNFQ-NHCUHLMSSA-N 1 0 465.646 2.865 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286278268 1060036253 /nfs/dbraw/zinc/03/62/53/1060036253.db2.gz BSKBRRXTNUWCIC-HXUWFJFHSA-N 1 0 459.598 2.997 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001286302147 1060053928 /nfs/dbraw/zinc/05/39/28/1060053928.db2.gz KLNNUUZWACFTMC-JOCHJYFZSA-N 1 0 472.641 2.610 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@@H]1OC ZINC001286304552 1060057150 /nfs/dbraw/zinc/05/71/50/1060057150.db2.gz WWRUTKAOWQYQBH-ZDXQCDESSA-N 1 0 450.631 2.916 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCCC[C@H]2CC)c1 ZINC001286308527 1060061309 /nfs/dbraw/zinc/06/13/09/1060061309.db2.gz APZAGJZPOJDKDM-HSZRJFAPSA-N 1 0 474.613 2.999 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001286308381 1060061436 /nfs/dbraw/zinc/06/14/36/1060061436.db2.gz ISMVYEJVYINYPM-UXHICEINSA-N 1 0 479.629 2.593 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCCC[C@@H]2CC)c1 ZINC001286308528 1060062001 /nfs/dbraw/zinc/06/20/01/1060062001.db2.gz APZAGJZPOJDKDM-QHCPKHFHSA-N 1 0 474.613 2.999 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001286308995 1060062447 /nfs/dbraw/zinc/06/24/47/1060062447.db2.gz NEACXZLUJHCPGQ-QFIPXVFZSA-N 1 0 466.630 2.989 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001286309314 1060063050 /nfs/dbraw/zinc/06/30/50/1060063050.db2.gz JREKDTNHNKVYAX-SWGGMNADSA-N 1 0 491.640 2.796 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001286309362 1060063446 /nfs/dbraw/zinc/06/34/46/1060063446.db2.gz KRTJRBWPCXUIDP-QFIPXVFZSA-N 1 0 450.587 2.569 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001286310036 1060065339 /nfs/dbraw/zinc/06/53/39/1060065339.db2.gz AORNQRMODVFPLM-GGAORHGYSA-N 1 0 494.640 2.729 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001286311794 1060071257 /nfs/dbraw/zinc/07/12/57/1060071257.db2.gz QBBQOADSILAXAM-UYAOXDASSA-N 1 0 450.587 2.711 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001286311787 1060071323 /nfs/dbraw/zinc/07/13/23/1060071323.db2.gz QBBQOADSILAXAM-ICSRJNTNSA-N 1 0 450.587 2.711 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC001286311790 1060071426 /nfs/dbraw/zinc/07/14/26/1060071426.db2.gz QBBQOADSILAXAM-QUCCMNQESA-N 1 0 450.587 2.711 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001286312351 1060073613 /nfs/dbraw/zinc/07/36/13/1060073613.db2.gz WWQLVIJHEBEGMW-DNQXCXABSA-N 1 0 494.640 2.933 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001286312659 1060073691 /nfs/dbraw/zinc/07/36/91/1060073691.db2.gz ZJNMBEBUKGJIAY-FQEVSTJZSA-N 1 0 450.587 2.713 20 30 JFEDRO C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286318341 1060078949 /nfs/dbraw/zinc/07/89/49/1060078949.db2.gz NFEPENCVLCHEHE-DEOSSOPVSA-N 1 0 450.631 2.980 20 30 JFEDRO C#CCCCCn1c(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286334191 1060087371 /nfs/dbraw/zinc/08/73/71/1060087371.db2.gz FWOSNRAVOAKXLD-ZEQKJWHPSA-N 1 0 472.678 2.727 20 30 JFEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001286334838 1060088379 /nfs/dbraw/zinc/08/83/79/1060088379.db2.gz ZPECCRZQVXBPOD-DEOSSOPVSA-N 1 0 477.657 2.551 20 30 JFEDRO C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001286336863 1060090687 /nfs/dbraw/zinc/09/06/87/1060090687.db2.gz PJGRNAKTLLXRFL-XMMPIXPASA-N 1 0 461.614 2.799 20 30 JFEDRO C#CCCCn1c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286360984 1060121941 /nfs/dbraw/zinc/12/19/41/1060121941.db2.gz XKVPMHFSWRSTIJ-AREMUKBSSA-N 1 0 472.678 2.727 20 30 JFEDRO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001286377577 1060141365 /nfs/dbraw/zinc/14/13/65/1060141365.db2.gz YPORXBOJKUIENY-WOJBJXKFSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCN(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286379088 1060143351 /nfs/dbraw/zinc/14/33/51/1060143351.db2.gz GBKBIJBALQPDGP-UHFFFAOYSA-N 1 0 459.598 2.554 20 30 JFEDRO C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286384895 1060171400 /nfs/dbraw/zinc/17/14/00/1060171400.db2.gz KQCWNZQGXQNWPW-AQNXPRMDSA-N 1 0 463.692 2.959 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387213 1060198762 /nfs/dbraw/zinc/19/87/62/1060198762.db2.gz BLWSVGPVCJAOKT-FYYLOGMGSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCC[N@H+]1CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387564 1060201986 /nfs/dbraw/zinc/20/19/86/1060201986.db2.gz SISHHYLJIHDESZ-FGZHOGPDSA-N 1 0 470.643 2.621 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387638 1060202593 /nfs/dbraw/zinc/20/25/93/1060202593.db2.gz HKUIICRJUXSLDW-IFMALSPDSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286387975 1060205673 /nfs/dbraw/zinc/20/56/73/1060205673.db2.gz JHQWJGGQWRGHST-UNMCSNQZSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC[N@@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388213 1060208440 /nfs/dbraw/zinc/20/84/40/1060208440.db2.gz MEKKEDHDXUSDAA-FYYLOGMGSA-N 1 0 469.655 2.866 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388600 1060213193 /nfs/dbraw/zinc/21/31/93/1060213193.db2.gz SGXJOAXLVBSZCX-MOPGFXCFSA-N 1 0 479.050 2.597 20 30 JFEDRO C#CCN(c1nnc(C2CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286389001 1060217490 /nfs/dbraw/zinc/21/74/90/1060217490.db2.gz DPIZWEMVYOTPEU-NQIIRXRSSA-N 1 0 455.628 2.912 20 30 JFEDRO C#CCN(c1nnc(C2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286389022 1060217516 /nfs/dbraw/zinc/21/75/16/1060217516.db2.gz DPIZWEMVYOTPEU-RXVVDRJESA-N 1 0 455.628 2.912 20 30 JFEDRO C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC001286393142 1060242270 /nfs/dbraw/zinc/24/22/70/1060242270.db2.gz KFCURCAFJQOGNH-QFIPXVFZSA-N 1 0 485.654 2.551 20 30 JFEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393639 1060244929 /nfs/dbraw/zinc/24/49/29/1060244929.db2.gz RGFSVZZSUPEIOE-GHTZIAJQSA-N 1 0 490.699 2.525 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286395235 1060255961 /nfs/dbraw/zinc/25/59/61/1060255961.db2.gz RSIZBYUNBRQHKZ-GOTSBHOMSA-N 1 0 469.655 2.678 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397625 1060269203 /nfs/dbraw/zinc/26/92/03/1060269203.db2.gz BNLLNHJYFGRADK-CIAFKFPVSA-N 1 0 491.702 2.555 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001286401048 1060282265 /nfs/dbraw/zinc/28/22/65/1060282265.db2.gz NDFBJKILZOKKAU-HXUWFJFHSA-N 1 0 481.670 2.740 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286403749 1060287045 /nfs/dbraw/zinc/28/70/45/1060287045.db2.gz LPISINZKUJUCQH-UHFFFAOYSA-N 1 0 469.593 2.612 20 30 JFEDRO C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286408531 1060291529 /nfs/dbraw/zinc/29/15/29/1060291529.db2.gz GSLZUZICRRDMOM-JOCHJYFZSA-N 1 0 467.017 2.538 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286408635 1060291714 /nfs/dbraw/zinc/29/17/14/1060291714.db2.gz IILDFDDMKNNZAU-HSZRJFAPSA-N 1 0 485.592 2.616 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCC[NH+]1CCCC1 ZINC001286409100 1060293912 /nfs/dbraw/zinc/29/39/12/1060293912.db2.gz IDNAAWMVFSOKPW-QFIPXVFZSA-N 1 0 484.645 2.925 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001286410024 1060296201 /nfs/dbraw/zinc/29/62/01/1060296201.db2.gz VRDZKKWMZBIGAL-IBGZPJMESA-N 1 0 481.651 2.675 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C1CC1 ZINC001286413843 1060298920 /nfs/dbraw/zinc/29/89/20/1060298920.db2.gz OGGDHTVTJZRPNK-FQEVSTJZSA-N 1 0 454.619 2.950 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001286415024 1060301658 /nfs/dbraw/zinc/30/16/58/1060301658.db2.gz IESBPPITFPQDBO-DEOSSOPVSA-N 1 0 474.609 2.823 20 30 JFEDRO C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1oc(CC)nc1C ZINC001286414909 1060301699 /nfs/dbraw/zinc/30/16/99/1060301699.db2.gz DZWXELWVNPDBML-UHFFFAOYSA-N 1 0 471.609 2.623 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001286415208 1060302484 /nfs/dbraw/zinc/30/24/84/1060302484.db2.gz LPJAIARSNKPMTC-BGYRXZFFSA-N 1 0 454.619 2.996 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286420350 1060308405 /nfs/dbraw/zinc/30/84/05/1060308405.db2.gz DFIRZXSRPDYIOH-OAQYLSRUSA-N 1 0 467.639 2.934 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCC(C)CC1 ZINC001286421338 1060308758 /nfs/dbraw/zinc/30/87/58/1060308758.db2.gz OWVMOZVHVPDNFX-UHFFFAOYSA-N 1 0 453.612 2.543 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001286422298 1060309953 /nfs/dbraw/zinc/30/99/53/1060309953.db2.gz XWNJZZOISCXKBP-HXUWFJFHSA-N 1 0 453.612 2.543 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286426232 1060315778 /nfs/dbraw/zinc/31/57/78/1060315778.db2.gz OMQDLPGBZLKMNY-RTWAWAEBSA-N 1 0 471.609 2.775 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286429631 1060320067 /nfs/dbraw/zinc/32/00/67/1060320067.db2.gz DJEQNPKAWGNCDL-XMMPIXPASA-N 1 0 460.626 2.847 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286430229 1060320413 /nfs/dbraw/zinc/32/04/13/1060320413.db2.gz GCECXNFFEVQOSD-QPPBQGQZSA-N 1 0 451.596 2.691 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001286432270 1060323590 /nfs/dbraw/zinc/32/35/90/1060323590.db2.gz CWNOJHJUEROABO-AZGAKELHSA-N 1 0 474.653 2.657 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001286432269 1060323634 /nfs/dbraw/zinc/32/36/34/1060323634.db2.gz CWNOJHJUEROABO-AOYPEHQESA-N 1 0 474.653 2.657 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286433601 1060325586 /nfs/dbraw/zinc/32/55/86/1060325586.db2.gz XVNQUEMRQSZEMR-RJGXRXQPSA-N 1 0 497.688 2.538 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001286433590 1060325648 /nfs/dbraw/zinc/32/56/48/1060325648.db2.gz XOJTWQCUFFNOML-ZRBLBEILSA-N 1 0 498.672 2.869 20 30 JFEDRO C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001286437173 1060328250 /nfs/dbraw/zinc/32/82/50/1060328250.db2.gz BICWAFAIQCBBJQ-HXUWFJFHSA-N 1 0 472.659 2.919 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[NH+]1CCCCC1 ZINC001286439661 1060331058 /nfs/dbraw/zinc/33/10/58/1060331058.db2.gz VIIKZNYUUDYCCQ-UHFFFAOYSA-N 1 0 467.643 2.577 20 30 JFEDRO C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001286449635 1060334723 /nfs/dbraw/zinc/33/47/23/1060334723.db2.gz BGSJIWRYJUWSTG-NRFANRHFSA-N 1 0 450.587 2.706 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286452640 1060336679 /nfs/dbraw/zinc/33/66/79/1060336679.db2.gz QFWSHQYXKAMYSO-HXUWFJFHSA-N 1 0 470.593 2.696 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001286459552 1060342967 /nfs/dbraw/zinc/34/29/67/1060342967.db2.gz OCVTYHMIVULDNA-UHFFFAOYSA-N 1 0 491.434 2.767 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286465231 1060352690 /nfs/dbraw/zinc/35/26/90/1060352690.db2.gz KGKUAMXZANWCMJ-NHCUHLMSSA-N 1 0 486.661 2.963 20 30 JFEDRO C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001286467598 1060356028 /nfs/dbraw/zinc/35/60/28/1060356028.db2.gz YNNYKYOUQUNKCN-ROUUACIJSA-N 1 0 460.648 2.608 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286473944 1060379292 /nfs/dbraw/zinc/37/92/92/1060379292.db2.gz WONHNOSBCVGJGO-HXUWFJFHSA-N 1 0 457.420 2.803 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001286474693 1060386368 /nfs/dbraw/zinc/38/63/68/1060386368.db2.gz OSHPNZVYTJJHPU-OAQYLSRUSA-N 1 0 452.603 2.592 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286475097 1060388555 /nfs/dbraw/zinc/38/85/55/1060388555.db2.gz QMPRGMTVAXFHPH-RUZDIDTESA-N 1 0 475.641 2.709 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001286478712 1060394297 /nfs/dbraw/zinc/39/42/97/1060394297.db2.gz JVLTXKDYSFVUHL-HSZRJFAPSA-N 1 0 459.063 2.715 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286479929 1060397482 /nfs/dbraw/zinc/39/74/82/1060397482.db2.gz JCIHQXZEDYETRO-XZOQPEGZSA-N 1 0 452.603 2.586 20 30 JFEDRO C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286483381 1060407621 /nfs/dbraw/zinc/40/76/21/1060407621.db2.gz INZGXVCRCJVFTJ-RUZDIDTESA-N 1 0 464.658 2.565 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286483890 1060411233 /nfs/dbraw/zinc/41/12/33/1060411233.db2.gz CIICBMYEDODFGU-QFIPXVFZSA-N 1 0 466.630 2.743 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286484361 1060415975 /nfs/dbraw/zinc/41/59/75/1060415975.db2.gz MMPUSOPSNHAPQY-QFIPXVFZSA-N 1 0 466.630 2.741 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001286484381 1060417340 /nfs/dbraw/zinc/41/73/40/1060417340.db2.gz JQUWQAIGBOGEDU-VWLOTQADSA-N 1 0 468.671 2.666 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286485554 1060426515 /nfs/dbraw/zinc/42/65/15/1060426515.db2.gz PSILAMCJHVWJSD-VSKRKVRLSA-N 1 0 485.677 2.536 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286485671 1060428340 /nfs/dbraw/zinc/42/83/40/1060428340.db2.gz UJUIOINGGIAHQM-YADHBBJMSA-N 1 0 485.677 2.837 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286488453 1060451338 /nfs/dbraw/zinc/45/13/38/1060451338.db2.gz NYVMVXGETVQWHX-GCJKJVERSA-N 1 0 482.604 2.863 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286489535 1060465996 /nfs/dbraw/zinc/46/59/96/1060465996.db2.gz WQNIFZTXVABYSF-QFIPXVFZSA-N 1 0 466.630 2.896 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001286491515 1060486589 /nfs/dbraw/zinc/48/65/89/1060486589.db2.gz VIDVDCGODMGTCE-UHFFFAOYSA-N 1 0 478.641 2.718 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001286492131 1060494136 /nfs/dbraw/zinc/49/41/36/1060494136.db2.gz CPRJLPHFSXVLQQ-QHCPKHFHSA-N 1 0 470.662 2.794 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001286492798 1060498705 /nfs/dbraw/zinc/49/87/05/1060498705.db2.gz PXTVTEFTXOWVFC-XMMPIXPASA-N 1 0 478.641 2.617 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286494510 1060508065 /nfs/dbraw/zinc/50/80/65/1060508065.db2.gz MWWPMGPHULYNSJ-BJKOFHAPSA-N 1 0 478.641 2.961 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001286494911 1060509563 /nfs/dbraw/zinc/50/95/63/1060509563.db2.gz QNXQLEVHVFWYMV-NHCUHLMSSA-N 1 0 458.651 2.503 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001286495136 1060510186 /nfs/dbraw/zinc/51/01/86/1060510186.db2.gz WYDLOJVGNZEVRD-UHFFFAOYSA-N 1 0 478.641 2.524 20 30 JFEDRO C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001286499159 1060521144 /nfs/dbraw/zinc/52/11/44/1060521144.db2.gz FGTLGEKZVLRJSH-IBGZPJMESA-N 1 0 465.627 2.859 20 30 JFEDRO C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286507677 1060536962 /nfs/dbraw/zinc/53/69/62/1060536962.db2.gz CLHSCXNFORVETN-OFNKIYASSA-N 1 0 472.703 2.756 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286514991 1060549874 /nfs/dbraw/zinc/54/98/74/1060549874.db2.gz CXBUVJARQCWSJX-LAUBAEHRSA-N 1 0 461.408 2.875 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001286516261 1060551915 /nfs/dbraw/zinc/55/19/15/1060551915.db2.gz FIPUQVAKXDIRQE-YADARESESA-N 1 0 472.659 2.769 20 30 JFEDRO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286537607 1060579339 /nfs/dbraw/zinc/57/93/39/1060579339.db2.gz GZIHBBKQFHKTJY-PREGVCBESA-N 1 0 451.413 2.839 20 30 JFEDRO C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286538015 1060580007 /nfs/dbraw/zinc/58/00/07/1060580007.db2.gz LBOSTZONEHSWHP-UXHICEINSA-N 1 0 497.482 2.660 20 30 JFEDRO C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286540412 1060583730 /nfs/dbraw/zinc/58/37/30/1060583730.db2.gz AQNZOXCBFABKOK-YQVWRLOYSA-N 1 0 478.439 2.943 20 30 JFEDRO C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286540682 1060584235 /nfs/dbraw/zinc/58/42/35/1060584235.db2.gz QLAPIROHKHSHAG-IBGZPJMESA-N 1 0 491.409 2.659 20 30 JFEDRO C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001286541954 1060586281 /nfs/dbraw/zinc/58/62/81/1060586281.db2.gz GNMPCLZEBPXMCO-SFHVURJKSA-N 1 0 466.428 2.595 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286546117 1060594341 /nfs/dbraw/zinc/59/43/41/1060594341.db2.gz GIXPBPUNGKMAMY-FPOVZHCZSA-N 1 0 453.591 2.827 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286546116 1060594517 /nfs/dbraw/zinc/59/45/17/1060594517.db2.gz GIXPBPUNGKMAMY-CTNGQTDRSA-N 1 0 453.591 2.827 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001286561746 1060636851 /nfs/dbraw/zinc/63/68/51/1060636851.db2.gz OHOZGLRVGSQGFB-ONTIZHBOSA-N 1 0 455.607 2.653 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001286566428 1060654797 /nfs/dbraw/zinc/65/47/97/1060654797.db2.gz MTFPPKJMZFOIMT-XTJBDQBJSA-N 1 0 480.613 2.867 20 30 JFEDRO C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286573121 1060663351 /nfs/dbraw/zinc/66/33/51/1060663351.db2.gz GINMCZGQLTWYIQ-HXUWFJFHSA-N 1 0 488.706 2.667 20 30 JFEDRO C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286573120 1060663419 /nfs/dbraw/zinc/66/34/19/1060663419.db2.gz GINMCZGQLTWYIQ-FQEVSTJZSA-N 1 0 488.706 2.667 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001286603175 1060705616 /nfs/dbraw/zinc/70/56/16/1060705616.db2.gz NUZYCEMJWBFVJS-LJQANCHMSA-N 1 0 456.547 2.605 20 30 JFEDRO C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286606973 1060715773 /nfs/dbraw/zinc/71/57/73/1060715773.db2.gz AADAWJVVLKZYAO-HXUWFJFHSA-N 1 0 478.638 2.710 20 30 JFEDRO C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001286606999 1060716307 /nfs/dbraw/zinc/71/63/07/1060716307.db2.gz ALXIFWRERLUWEY-LEWJYISDSA-N 1 0 490.649 2.854 20 30 JFEDRO C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001286611389 1060722057 /nfs/dbraw/zinc/72/20/57/1060722057.db2.gz JDTZVCUZUKCOQT-UHFFFAOYSA-N 1 0 455.632 2.969 20 30 JFEDRO C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1)c1ccccc1 ZINC001286617829 1060733341 /nfs/dbraw/zinc/73/33/41/1060733341.db2.gz UBRRSMHHZJBCFN-YADHBBJMSA-N 1 0 452.603 2.880 20 30 JFEDRO C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001286626854 1060745947 /nfs/dbraw/zinc/74/59/47/1060745947.db2.gz LPPPAGNKOOZNSR-SFHVURJKSA-N 1 0 496.081 2.928 20 30 JFEDRO C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286627383 1060746816 /nfs/dbraw/zinc/74/68/16/1060746816.db2.gz ZYADXQLWHUYEQO-KKSFZXQISA-N 1 0 458.010 2.780 20 30 JFEDRO C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC001286633939 1060754794 /nfs/dbraw/zinc/75/47/94/1060754794.db2.gz NKHPQHJGLIMQLZ-UHFFFAOYSA-N 1 0 452.603 2.578 20 30 JFEDRO C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001286646841 1060762895 /nfs/dbraw/zinc/76/28/95/1060762895.db2.gz WGNJBIYVVFTYBL-NRFANRHFSA-N 1 0 473.643 2.520 20 30 JFEDRO C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286647465 1060763974 /nfs/dbraw/zinc/76/39/74/1060763974.db2.gz GXWOIMOKWAUPCI-IBGZPJMESA-N 1 0 458.632 2.783 20 30 JFEDRO C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286647466 1060764077 /nfs/dbraw/zinc/76/40/77/1060764077.db2.gz GXWOIMOKWAUPCI-LJQANCHMSA-N 1 0 458.632 2.783 20 30 JFEDRO C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286670325 1060782037 /nfs/dbraw/zinc/78/20/37/1060782037.db2.gz GPDZSNQZDMEFSS-KNQAVFIVSA-N 1 0 468.650 2.660 20 30 JFEDRO C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286707827 1060822300 /nfs/dbraw/zinc/82/23/00/1060822300.db2.gz KKHLKLABSXKDDM-QFIPXVFZSA-N 1 0 450.587 2.958 20 30 JFEDRO C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001286717957 1060842869 /nfs/dbraw/zinc/84/28/69/1060842869.db2.gz REWDDIPNHZKOCX-UHFFFAOYSA-N 1 0 458.607 2.619 20 30 JFEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001286750827 1060878280 /nfs/dbraw/zinc/87/82/80/1060878280.db2.gz HTQCIWNKOZQQER-NRFANRHFSA-N 1 0 458.632 2.582 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)C(C)C ZINC001286750992 1060878393 /nfs/dbraw/zinc/87/83/93/1060878393.db2.gz KPDUWJIUVPODAS-ILWGZMRPSA-N 1 0 464.618 2.681 20 30 JFEDRO C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286759746 1060887803 /nfs/dbraw/zinc/88/78/03/1060887803.db2.gz GTVZHABAINLTMO-UHFFFAOYSA-N 1 0 460.630 2.996 20 30 JFEDRO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001286771747 1060905103 /nfs/dbraw/zinc/90/51/03/1060905103.db2.gz NDNVKLJISKCAGW-UHFFFAOYSA-N 1 0 458.010 2.998 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286779815 1060921126 /nfs/dbraw/zinc/92/11/26/1060921126.db2.gz NCUABSLQGLQREE-UHFFFAOYSA-N 1 0 468.602 2.719 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001286782647 1060929992 /nfs/dbraw/zinc/92/99/92/1060929992.db2.gz AXCJKCAHGLFNBZ-MRXNPFEDSA-N 1 0 479.412 2.713 20 30 JFEDRO C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001286788698 1060947283 /nfs/dbraw/zinc/94/72/83/1060947283.db2.gz CNVWUQGRZLLXKC-UHFFFAOYSA-N 1 0 451.619 2.659 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001286798343 1060978735 /nfs/dbraw/zinc/97/87/35/1060978735.db2.gz JSBIIURZTYDWGH-UXHICEINSA-N 1 0 453.591 2.971 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001286804790 1060992790 /nfs/dbraw/zinc/99/27/90/1060992790.db2.gz OHSIRBHNMLZKSC-SFHVURJKSA-N 1 0 492.466 2.843 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001286812388 1061005485 /nfs/dbraw/zinc/00/54/85/1061005485.db2.gz LCMPVUPAQFMHAH-FDFHNCONSA-N 1 0 471.650 2.809 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001286819263 1061040497 /nfs/dbraw/zinc/04/04/97/1061040497.db2.gz FTFPXSBXWAJOEC-QFIPXVFZSA-N 1 0 480.638 2.960 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001286824634 1061069157 /nfs/dbraw/zinc/06/91/57/1061069157.db2.gz GDLKKLFFAYIFDN-KDURUIRLSA-N 1 0 467.680 2.502 20 30 JFEDRO C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286828425 1061076009 /nfs/dbraw/zinc/07/60/09/1061076009.db2.gz MSGBKFFREZVCEI-KNQAVFIVSA-N 1 0 469.659 2.638 20 30 JFEDRO C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001286834729 1061086990 /nfs/dbraw/zinc/08/69/90/1061086990.db2.gz KVLWLRTVYCHOAQ-SFHVURJKSA-N 1 0 490.699 2.878 20 30 JFEDRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286844744 1061136866 /nfs/dbraw/zinc/13/68/66/1061136866.db2.gz TVMLZFHTAZGIIM-UHFFFAOYSA-N 1 0 465.602 2.660 20 30 JFEDRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@H]2C)CC1 ZINC001286871457 1061272729 /nfs/dbraw/zinc/27/27/29/1061272729.db2.gz OOUAKIYPFSLHOL-BWKNWUBXSA-N 1 0 493.656 2.748 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)[NH+](C)C)[C@@H](C)C1 ZINC001286882190 1061309838 /nfs/dbraw/zinc/30/98/38/1061309838.db2.gz FDQRRXZDTGXOIY-PGRDOPGGSA-N 1 0 477.569 2.682 20 30 JFEDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001286942355 1061593826 /nfs/dbraw/zinc/59/38/26/1061593826.db2.gz USIMEIUTAORTBZ-XMMPIXPASA-N 1 0 479.629 2.814 20 30 JFEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001294219063 1061729584 /nfs/dbraw/zinc/72/95/84/1061729584.db2.gz VTAJLUQKKPNBJA-UHFFFAOYSA-N 1 0 475.601 2.674 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286959802 1061730454 /nfs/dbraw/zinc/73/04/54/1061730454.db2.gz AXWARJAWLILYSQ-FXAWDEMLSA-N 1 0 485.614 2.687 20 30 JFEDRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001294226284 1061739111 /nfs/dbraw/zinc/73/91/11/1061739111.db2.gz RVOJWMBVYDMQMC-QFIPXVFZSA-N 1 0 499.685 2.500 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001294228104 1061743134 /nfs/dbraw/zinc/74/31/34/1061743134.db2.gz AOVVQCUBRNHOBG-NBGIEHNGSA-N 1 0 468.602 2.845 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001294230676 1061747876 /nfs/dbraw/zinc/74/78/76/1061747876.db2.gz ZRSOEBOUHLLDLA-UHFFFAOYSA-N 1 0 465.602 2.567 20 30 JFEDRO CC(C)(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001286978867 1061801842 /nfs/dbraw/zinc/80/18/42/1061801842.db2.gz YLGQPIOMHOERJG-UHFFFAOYSA-N 1 0 467.643 2.560 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001294317971 1061816753 /nfs/dbraw/zinc/81/67/53/1061816753.db2.gz ZPKDGGXGYBGESU-FQEVSTJZSA-N 1 0 453.639 2.735 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 ZINC001294318623 1061819468 /nfs/dbraw/zinc/81/94/68/1061819468.db2.gz UTZOTRQERHCJSQ-OALUTQOASA-N 1 0 471.631 2.653 20 30 JFEDRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 ZINC001287006259 1061925783 /nfs/dbraw/zinc/92/57/83/1061925783.db2.gz CHQHGTAIDFJLKK-JOCHJYFZSA-N 1 0 452.603 2.965 20 30 JFEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001294460529 1062008165 /nfs/dbraw/zinc/00/81/65/1062008165.db2.gz FRMCKPQRBFMRPP-DRGFOCDESA-N 1 0 463.586 2.640 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001294507310 1062045144 /nfs/dbraw/zinc/04/51/44/1062045144.db2.gz QTCUBUSKCHJETR-FQEVSTJZSA-N 1 0 484.612 2.925 20 30 JFEDRO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001294522246 1062058054 /nfs/dbraw/zinc/05/80/54/1062058054.db2.gz RLADUNFXJHNPJQ-JOCHJYFZSA-N 1 0 499.685 2.500 20 30 JFEDRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCC[NH+]1CCCC1 ZINC001287053592 1062060764 /nfs/dbraw/zinc/06/07/64/1062060764.db2.gz HLULHGSAYAPDFM-FQEVSTJZSA-N 1 0 473.622 2.812 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294524229 1062061415 /nfs/dbraw/zinc/06/14/15/1062061415.db2.gz PEXACQVGUCHOPW-NRFANRHFSA-N 1 0 458.632 2.952 20 30 JFEDRO CCC[NH+](CCC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001294569898 1062083219 /nfs/dbraw/zinc/08/32/19/1062083219.db2.gz GVRBXDDVZNWFPM-QHCPKHFHSA-N 1 0 451.619 2.850 20 30 JFEDRO CCC[NH+](CCC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001294569897 1062083466 /nfs/dbraw/zinc/08/34/66/1062083466.db2.gz GVRBXDDVZNWFPM-HSZRJFAPSA-N 1 0 451.619 2.850 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001294641933 1062163813 /nfs/dbraw/zinc/16/38/13/1062163813.db2.gz QRCPVOVQHNNAFY-RDJZCZTQSA-N 1 0 462.396 2.507 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001294647754 1062183881 /nfs/dbraw/zinc/18/38/81/1062183881.db2.gz FPRJYYNIXISMDS-NSHGMRRFSA-N 1 0 458.632 2.806 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001294648560 1062186962 /nfs/dbraw/zinc/18/69/62/1062186962.db2.gz JZNNDTZMWBHQKX-IBGZPJMESA-N 1 0 456.616 2.820 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001294648644 1062188004 /nfs/dbraw/zinc/18/80/04/1062188004.db2.gz LCWQQKXHMJEROV-OAQYLSRUSA-N 1 0 456.616 2.562 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001294655343 1062199078 /nfs/dbraw/zinc/19/90/78/1062199078.db2.gz ATIHLEQIIIBZFH-UXHICEINSA-N 1 0 451.623 2.922 20 30 JFEDRO CCC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001294656178 1062200778 /nfs/dbraw/zinc/20/07/78/1062200778.db2.gz FSBIPEWHDKMPKY-QFIPXVFZSA-N 1 0 470.643 2.810 20 30 JFEDRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287072107 1062205781 /nfs/dbraw/zinc/20/57/81/1062205781.db2.gz PDLZNFCYKIALOR-VXKWHMMOSA-N 1 0 495.628 2.767 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294666692 1062219674 /nfs/dbraw/zinc/21/96/74/1062219674.db2.gz JEIOTOPSLDFRQN-NRFANRHFSA-N 1 0 465.602 2.566 20 30 JFEDRO Cc1nc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)[NH+](C)C)CC2)cs1 ZINC001290468522 1062255691 /nfs/dbraw/zinc/25/56/91/1062255691.db2.gz HDGYUZNJGMAKBT-KRWDZBQOSA-N 1 0 450.616 2.854 20 30 JFEDRO Cc1nc(CN2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC[N@@H+](C)C(C)C)CC2)no1 ZINC001290469396 1062259011 /nfs/dbraw/zinc/25/90/11/1062259011.db2.gz YMZMCBCXWDFAOX-UHFFFAOYSA-N 1 0 477.617 2.951 20 30 JFEDRO CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001287102428 1062313511 /nfs/dbraw/zinc/31/35/11/1062313511.db2.gz MIQUJILGZAIXLN-UHFFFAOYSA-N 1 0 466.611 2.926 20 30 JFEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294761027 1062350903 /nfs/dbraw/zinc/35/09/03/1062350903.db2.gz USFQETOVKSUPNW-QFIPXVFZSA-N 1 0 479.629 2.908 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC001290577350 1062381921 /nfs/dbraw/zinc/38/19/21/1062381921.db2.gz NVNKMDKCYRRBQB-PMACEKPBSA-N 1 0 497.692 2.606 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(Cc4cccnc4)n3CC[NH+](C(C)C)C(C)C)CC2)c1C#N ZINC001290577385 1062382074 /nfs/dbraw/zinc/38/20/74/1062382074.db2.gz OKAXUZMUOQRIKP-UHFFFAOYSA-N 1 0 490.660 2.623 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1C#N ZINC001290577846 1062383610 /nfs/dbraw/zinc/38/36/10/1062383610.db2.gz SZYUWYSULVPNKC-HDICACEKSA-N 1 0 453.639 2.583 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287158765 1062553406 /nfs/dbraw/zinc/55/34/06/1062553406.db2.gz VVETUNPOYUVAIZ-FGZHOGPDSA-N 1 0 470.643 2.951 20 30 JFEDRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001287161716 1062564633 /nfs/dbraw/zinc/56/46/33/1062564633.db2.gz YTQUENWIUDZSQI-VXKWHMMOSA-N 1 0 470.643 2.809 20 30 JFEDRO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001290681148 1062594180 /nfs/dbraw/zinc/59/41/80/1062594180.db2.gz VRKSSDZYHSWGOT-LJQANCHMSA-N 1 0 454.596 2.773 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294928620 1062703972 /nfs/dbraw/zinc/70/39/72/1062703972.db2.gz MHMXJKFWCWIAQC-XMMPIXPASA-N 1 0 454.575 2.549 20 30 JFEDRO Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290858424 1062742174 /nfs/dbraw/zinc/74/21/74/1062742174.db2.gz IKPGSZFVVHKXBJ-UHFFFAOYSA-N 1 0 458.010 2.674 20 30 JFEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)[NH+](C)C ZINC001287323939 1062801162 /nfs/dbraw/zinc/80/11/62/1062801162.db2.gz XZTRXMYSLNMNEV-YADHBBJMSA-N 1 0 464.618 2.833 20 30 JFEDRO CC(C)C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001287329536 1062806340 /nfs/dbraw/zinc/80/63/40/1062806340.db2.gz FVOBORPCOKUCFI-YADHBBJMSA-N 1 0 466.634 2.742 20 30 JFEDRO CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287455759 1062892016 /nfs/dbraw/zinc/89/20/16/1062892016.db2.gz CWKSKVJZDRPONL-HSZRJFAPSA-N 1 0 465.646 2.912 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 ZINC001291013281 1062920141 /nfs/dbraw/zinc/92/01/41/1062920141.db2.gz LBBRNUAZLSXRHY-ZVDOUQERSA-N 1 0 462.664 2.678 20 30 JFEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 ZINC001291052160 1062983431 /nfs/dbraw/zinc/98/34/31/1062983431.db2.gz OYBINPVWZVZKDT-FGZHOGPDSA-N 1 0 465.646 2.974 20 30 JFEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 ZINC001291052968 1062985874 /nfs/dbraw/zinc/98/58/74/1062985874.db2.gz ZUSISMOCDMYDEX-BGYRXZFFSA-N 1 0 451.619 2.582 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295165693 1062989577 /nfs/dbraw/zinc/98/95/77/1062989577.db2.gz UXPJKNBTCFEECU-OAQYLSRUSA-N 1 0 456.616 2.562 20 30 JFEDRO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287605158 1063000653 /nfs/dbraw/zinc/00/06/53/1063000653.db2.gz FNJZWRSAAMWTQE-ZCNNSNEGSA-N 1 0 459.639 2.883 20 30 JFEDRO C[C@H]1CCC[C@@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)([NH+](C)C)C1 ZINC001291067909 1063015441 /nfs/dbraw/zinc/01/54/41/1063015441.db2.gz HBZFKOCAHIAKII-UQBPGWFLSA-N 1 0 465.602 2.518 20 30 JFEDRO C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)([NH+](C)C)C1 ZINC001291068536 1063016215 /nfs/dbraw/zinc/01/62/15/1063016215.db2.gz PIRUJZWVFPEOTI-RFWXGWTQSA-N 1 0 462.664 2.821 20 30 JFEDRO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291098237 1063061716 /nfs/dbraw/zinc/06/17/16/1063061716.db2.gz KFLIJCBYPWQUDM-UXHICEINSA-N 1 0 485.658 2.551 20 30 JFEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102347 1063076743 /nfs/dbraw/zinc/07/67/43/1063076743.db2.gz LXUFVCGPQZJGJG-QZTJIDSGSA-N 1 0 465.668 2.529 20 30 JFEDRO CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)[C@H](C)C1=O ZINC001287752588 1063081189 /nfs/dbraw/zinc/08/11/89/1063081189.db2.gz NOWQZXZLIMKLJQ-QPPBQGQZSA-N 1 0 493.656 2.867 20 30 JFEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001291137395 1063195656 /nfs/dbraw/zinc/19/56/56/1063195656.db2.gz PXPBVXRATLDNGN-HXUWFJFHSA-N 1 0 451.619 2.848 20 30 JFEDRO CC1CC[NH+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001291183768 1063280972 /nfs/dbraw/zinc/28/09/72/1063280972.db2.gz CWJBBVRSGNSMDA-UHFFFAOYSA-N 1 0 456.616 2.820 20 30 JFEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295349543 1063293131 /nfs/dbraw/zinc/29/31/31/1063293131.db2.gz TZUFIPSPODNJJO-UHFFFAOYSA-N 1 0 466.634 2.988 20 30 JFEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C[C@H](C)O1 ZINC001291188982 1063306684 /nfs/dbraw/zinc/30/66/84/1063306684.db2.gz UDYLTBCTYGMLKW-SVFBPWRDSA-N 1 0 468.602 2.842 20 30 JFEDRO C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CC(C)(C)C[NH+](C)C ZINC001291195078 1063332033 /nfs/dbraw/zinc/33/20/33/1063332033.db2.gz JXKBPCAXXURHHY-IBGZPJMESA-N 1 0 459.602 2.910 20 30 JFEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001291195101 1063332609 /nfs/dbraw/zinc/33/26/09/1063332609.db2.gz KIALPWIJTBEBRO-MJGOQNOKSA-N 1 0 463.590 2.848 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001295384547 1063359743 /nfs/dbraw/zinc/35/97/43/1063359743.db2.gz HUMOLNLKDHLASM-OALUTQOASA-N 1 0 453.591 2.516 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001295387204 1063364101 /nfs/dbraw/zinc/36/41/01/1063364101.db2.gz YTPSJLCSMTWZLC-CTNGQTDRSA-N 1 0 463.590 2.892 20 30 JFEDRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccsc1 ZINC001295390973 1063372329 /nfs/dbraw/zinc/37/23/29/1063372329.db2.gz CKNQRLMOODPNJO-NHCUHLMSSA-N 1 0 484.674 2.737 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001295391193 1063374386 /nfs/dbraw/zinc/37/43/86/1063374386.db2.gz DSSIRRZRBRPNSD-SFLYRZDNSA-N 1 0 481.645 2.931 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001295391200 1063374411 /nfs/dbraw/zinc/37/44/11/1063374411.db2.gz UXQIPQYWPAWGMO-GOSISDBHSA-N 1 0 481.674 2.901 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 ZINC001295466247 1063471029 /nfs/dbraw/zinc/47/10/29/1063471029.db2.gz UNDDDWDFPPIPQL-HXUWFJFHSA-N 1 0 451.619 2.848 20 30 JFEDRO CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 ZINC001295503628 1063538949 /nfs/dbraw/zinc/53/89/49/1063538949.db2.gz NXHPDJNVWCDWHN-XMMPIXPASA-N 1 0 453.566 2.733 20 30 JFEDRO CC[NH+](CC)CCCn1c(CC2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001295539849 1063575172 /nfs/dbraw/zinc/57/51/72/1063575172.db2.gz SYAPEOGUXVAQKN-UHFFFAOYSA-N 1 0 467.666 2.983 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001295553455 1063586544 /nfs/dbraw/zinc/58/65/44/1063586544.db2.gz ILPFYSBDXOTNOO-HXUWFJFHSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295555177 1063589807 /nfs/dbraw/zinc/58/98/07/1063589807.db2.gz UKSBNULVSWODEN-NQIIRXRSSA-N 1 0 467.618 2.869 20 30 JFEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288393 1063648352 /nfs/dbraw/zinc/64/83/52/1063648352.db2.gz RMAZONHNMWNXEE-KNKQGSTJSA-N 1 0 472.565 2.787 20 30 JFEDRO C[C@@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC001291288521 1063649530 /nfs/dbraw/zinc/64/95/30/1063649530.db2.gz UFJQKEZYYCXSFH-WOJBJXKFSA-N 1 0 465.602 2.521 20 30 JFEDRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 ZINC001291289577 1063657504 /nfs/dbraw/zinc/65/75/04/1063657504.db2.gz MKONSGQAQPSNRG-BZUAXINKSA-N 1 0 495.447 2.997 20 30 JFEDRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Br)s3)nnc2N2CCO[C@H](C#N)C2)C[C@H](C)O1 ZINC001291289579 1063658075 /nfs/dbraw/zinc/65/80/75/1063658075.db2.gz MKONSGQAQPSNRG-OWCLPIDISA-N 1 0 495.447 2.997 20 30 JFEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O ZINC001291294792 1063692520 /nfs/dbraw/zinc/69/25/20/1063692520.db2.gz PJOLRVOENQMBDG-RXVVDRJESA-N 1 0 456.616 2.705 20 30 JFEDRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295722023 1063737201 /nfs/dbraw/zinc/73/72/01/1063737201.db2.gz HTFJNSGCCNPEHV-XZOQPEGZSA-N 1 0 479.629 2.765 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296010858 1064069669 /nfs/dbraw/zinc/06/96/69/1064069669.db2.gz MRLHMBUYOZTTSJ-SXWKCWPCSA-N 1 0 479.629 2.906 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296021904 1064082676 /nfs/dbraw/zinc/08/26/76/1064082676.db2.gz MUUIWCWYTZVDNP-QHCPKHFHSA-N 1 0 474.606 2.913 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296021926 1064082837 /nfs/dbraw/zinc/08/28/37/1064082837.db2.gz NIFRIJTUCLUPHR-QGZVFWFLSA-N 1 0 462.396 2.886 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC001296033683 1064091876 /nfs/dbraw/zinc/09/18/76/1064091876.db2.gz NJPPEXJVSKYTST-PMACEKPBSA-N 1 0 485.608 2.681 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001296035145 1064093961 /nfs/dbraw/zinc/09/39/61/1064093961.db2.gz APLVCQSOTYTPLK-IFXJQAMLSA-N 1 0 450.360 2.830 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001296051707 1064112093 /nfs/dbraw/zinc/11/20/93/1064112093.db2.gz JLNIPGCZTJUFPN-NRFANRHFSA-N 1 0 494.644 2.701 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(CCC#N)CCOC ZINC001296083949 1064151276 /nfs/dbraw/zinc/15/12/76/1064151276.db2.gz JTCXCNXRSPGYOF-SFHVURJKSA-N 1 0 464.574 2.835 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296087955 1064157228 /nfs/dbraw/zinc/15/72/28/1064157228.db2.gz PIQBDKQVOHLOAG-VXKWHMMOSA-N 1 0 465.602 2.628 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296087956 1064157320 /nfs/dbraw/zinc/15/73/20/1064157320.db2.gz PIQBDKQVOHLOAG-YADHBBJMSA-N 1 0 465.602 2.628 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001296089792 1064161248 /nfs/dbraw/zinc/16/12/48/1064161248.db2.gz RTGNPTSEKDHXKS-SFTDATJTSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001296132288 1064229269 /nfs/dbraw/zinc/22/92/69/1064229269.db2.gz AJSKMLJJKWHETC-LJQANCHMSA-N 1 0 455.582 2.762 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001291768797 1064251181 /nfs/dbraw/zinc/25/11/81/1064251181.db2.gz ZWZHOEVTNNFROH-OXJNMPFZSA-N 1 0 450.547 2.816 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001291768801 1064251559 /nfs/dbraw/zinc/25/15/59/1064251559.db2.gz ZWZHOEVTNNFROH-UZLBHIALSA-N 1 0 450.547 2.816 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001291772326 1064255461 /nfs/dbraw/zinc/25/54/61/1064255461.db2.gz OEAXTCHKEKELPM-WOJBJXKFSA-N 1 0 474.617 2.756 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291785406 1064281092 /nfs/dbraw/zinc/28/10/92/1064281092.db2.gz VNXZRXIIVSXHAI-DENIHFKCSA-N 1 0 488.658 2.863 20 30 JFEDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(F)(F)F)C2)CC1 ZINC001296183169 1064326788 /nfs/dbraw/zinc/32/67/88/1064326788.db2.gz ZCNFXXICEYZKBP-SFHVURJKSA-N 1 0 463.508 2.507 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191761 1064342740 /nfs/dbraw/zinc/34/27/40/1064342740.db2.gz ANGHJIARBQQRDJ-NZQKXSOJSA-N 1 0 451.619 2.911 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296196612 1064368694 /nfs/dbraw/zinc/36/86/94/1064368694.db2.gz YKISYYVESJTDMT-DVECYGJZSA-N 1 0 457.573 2.724 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296196616 1064368835 /nfs/dbraw/zinc/36/88/35/1064368835.db2.gz YKISYYVESJTDMT-YADARESESA-N 1 0 457.573 2.724 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296196856 1064369784 /nfs/dbraw/zinc/36/97/84/1064369784.db2.gz VIXWEBKDTGYAHT-FKBYEOEOSA-N 1 0 481.645 2.616 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296206457 1064396239 /nfs/dbraw/zinc/39/62/39/1064396239.db2.gz RLOQQZBXRPAZLU-VWLOTQADSA-N 1 0 451.619 2.850 20 30 JFEDRO CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CC[NH+](C(C)C)CC2)c2ccccc2c1=O ZINC001296214712 1064414447 /nfs/dbraw/zinc/41/44/47/1064414447.db2.gz PSRUFPXQPFKVGX-IBGZPJMESA-N 1 0 492.628 2.506 20 30 JFEDRO CC[C@@H](c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291898871 1064529628 /nfs/dbraw/zinc/52/96/28/1064529628.db2.gz IJRCLVTTWNBWLU-XPWALMASSA-N 1 0 452.603 2.786 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)[NH+](C)C ZINC001292139260 1064907530 /nfs/dbraw/zinc/90/75/30/1064907530.db2.gz UZGCDDYDNIWUEM-UWJYYQICSA-N 1 0 453.591 2.596 20 30 JFEDRO CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001292252146 1065034250 /nfs/dbraw/zinc/03/42/50/1065034250.db2.gz NIFRTHYUYCNUIL-XZOQPEGZSA-N 1 0 481.645 2.758 20 30 JFEDRO N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CC[NH+](CC4CCCCC4)CC3)C2=O)cc1 ZINC001292480997 1065204609 /nfs/dbraw/zinc/20/46/09/1065204609.db2.gz IRXYTJPJLDJBAJ-JOCHJYFZSA-N 1 0 451.571 2.924 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)[NH+](C)C ZINC001292616898 1065352712 /nfs/dbraw/zinc/35/27/12/1065352712.db2.gz ZXIGVYXPWCCBQQ-FQEVSTJZSA-N 1 0 474.613 2.963 20 30 JFEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 ZINC001293024352 1065697430 /nfs/dbraw/zinc/69/74/30/1065697430.db2.gz YQPXERPEAIEUJA-UHFFFAOYSA-N 1 0 450.786 2.520 20 30 JFEDRO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001293112959 1065758785 /nfs/dbraw/zinc/75/87/85/1065758785.db2.gz AVYWVUCIHDKZPU-ACRUOGEOSA-N 1 0 465.650 2.975 20 30 JFEDRO CCc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001293186469 1065811452 /nfs/dbraw/zinc/81/14/52/1065811452.db2.gz VUEDRZMAGBOJPE-IBGZPJMESA-N 1 0 477.617 2.986 20 30 JFEDRO CCc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293192587 1065820631 /nfs/dbraw/zinc/82/06/31/1065820631.db2.gz TZIBVWJRTBSKQN-UHFFFAOYSA-N 1 0 490.612 2.714 20 30 JFEDRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001293218478 1065862301 /nfs/dbraw/zinc/86/23/01/1065862301.db2.gz QZPQYFCCJDGBSD-SFHVURJKSA-N 1 0 463.508 2.806 20 30 JFEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001293362070 1065966083 /nfs/dbraw/zinc/96/60/83/1065966083.db2.gz CRNOMTYTYMSQIM-HXUWFJFHSA-N 1 0 453.639 2.906 20 30 JFEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001293376355 1065981553 /nfs/dbraw/zinc/98/15/53/1065981553.db2.gz BSPHRDWJDGTIRS-VXKWHMMOSA-N 1 0 479.629 2.956 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC[N@@H+]1CCOC ZINC001293541601 1066061511 /nfs/dbraw/zinc/06/15/11/1066061511.db2.gz KBEBHUSISWPTMM-WWNPGLIZSA-N 1 0 452.603 2.915 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC[N@@H+]1CCOC ZINC001293542776 1066062680 /nfs/dbraw/zinc/06/26/80/1066062680.db2.gz OWRBKQPGBHQWMF-LJQANCHMSA-N 1 0 452.588 2.572 20 30 JFEDRO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001293642030 1066158144 /nfs/dbraw/zinc/15/81/44/1066158144.db2.gz ZXXINVIKJRVKSC-FQEVSTJZSA-N 1 0 465.558 2.621 20 30 JFEDRO C[C@@H]1C[C@H](N(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001293664541 1066169335 /nfs/dbraw/zinc/16/93/35/1066169335.db2.gz XGYMFJWXXZADOP-UYAOXDASSA-N 1 0 454.596 2.627 20 30 JFEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001293742095 1066206530 /nfs/dbraw/zinc/20/65/30/1066206530.db2.gz ITFZABRUVQZGGW-DHIUTWEWSA-N 1 0 479.629 2.549 20 30 JFEDRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001293765143 1066253307 /nfs/dbraw/zinc/25/33/07/1066253307.db2.gz ISEQNKGGCKFPEE-UHFFFAOYSA-N 1 0 479.629 2.814 20 30 JFEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 ZINC001293933027 1066412751 /nfs/dbraw/zinc/41/27/51/1066412751.db2.gz NRHJADGVJHCOQM-NRFANRHFSA-N 1 0 454.571 2.682 20 30 JFEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001294065545 1066535809 /nfs/dbraw/zinc/53/58/09/1066535809.db2.gz DBDDGNDMKIUTFJ-DEOSSOPVSA-N 1 0 489.624 2.984 20 30 JFEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001164843276 720626950 /nfs/dbraw/zinc/62/69/50/720626950.db2.gz XKOQPTJSRREFSX-ANULTFPQSA-N 1 0 465.602 3.000 20 30 JFEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164750331 720857636 /nfs/dbraw/zinc/85/76/36/720857636.db2.gz PMFLBXVTDTUGJJ-JXHRLWIKSA-N 1 0 458.526 2.986 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164851503 720863632 /nfs/dbraw/zinc/86/36/32/720863632.db2.gz AAJDFPYIRIWWRO-RHSMWYFYSA-N 1 0 472.920 2.502 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001164851504 720863706 /nfs/dbraw/zinc/86/37/06/720863706.db2.gz AAJDFPYIRIWWRO-WMLDXEAASA-N 1 0 472.920 2.502 20 30 JFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)CC2 ZINC001164754917 720968772 /nfs/dbraw/zinc/96/87/72/720968772.db2.gz ZICQUTFZZAPSCK-UHFFFAOYSA-N 1 0 467.917 2.636 20 30 JFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC3)CC1 ZINC001164795885 721522117 /nfs/dbraw/zinc/52/21/17/721522117.db2.gz UJDNKNYVBCZNGZ-UHFFFAOYSA-N 1 0 464.961 2.758 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909906 721560546 /nfs/dbraw/zinc/56/05/46/721560546.db2.gz VEDDSMFRHCMXLB-MISYRCLQSA-N 1 0 453.518 2.906 20 30 JFEDRO C[NH+]1CCN(C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2ccccc2)CC1 ZINC001264934298 1059732263 /nfs/dbraw/zinc/73/22/63/1059732263.db2.gz GDIHKHSNEYBGPY-NRFANRHFSA-N 1 0 457.372 2.804 20 30 JFEDRO CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001265828613 1059930983 /nfs/dbraw/zinc/93/09/83/1059930983.db2.gz QYDADOAWODZOKX-GOTSBHOMSA-N 1 0 459.550 2.886 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286269151 1060028314 /nfs/dbraw/zinc/02/83/14/1060028314.db2.gz CPWPJMZMAIUQBA-SFTDATJTSA-N 1 0 472.597 2.594 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286276918 1060034415 /nfs/dbraw/zinc/03/44/15/1060034415.db2.gz UXSDFAMQTYUARS-GBESFXJTSA-N 1 0 487.674 2.504 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCCCC2)c1 ZINC001286308010 1060060672 /nfs/dbraw/zinc/06/06/72/1060060672.db2.gz CXECARDBSOQYSR-UHFFFAOYSA-N 1 0 491.640 2.835 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001286309546 1060064182 /nfs/dbraw/zinc/06/41/82/1060064182.db2.gz MRZASVSXODSRGJ-NHCUHLMSSA-N 1 0 491.621 2.650 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC001286310936 1060068549 /nfs/dbraw/zinc/06/85/49/1060068549.db2.gz AMJYUHNHSXMNGW-OAQYLSRUSA-N 1 0 491.640 2.721 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001286310960 1060069114 /nfs/dbraw/zinc/06/91/14/1060069114.db2.gz ILJQQGYHQSIKIV-HXUWFJFHSA-N 1 0 457.582 2.804 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001286311971 1060071816 /nfs/dbraw/zinc/07/18/16/1060071816.db2.gz SNIVNEOFNHLMHP-IFMALSPDSA-N 1 0 450.587 2.569 20 30 JFEDRO C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286334899 1060088483 /nfs/dbraw/zinc/08/84/83/1060088483.db2.gz CKTWJDBLPLRIAF-FYYLOGMGSA-N 1 0 470.662 2.745 20 30 JFEDRO C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001286339784 1060095267 /nfs/dbraw/zinc/09/52/67/1060095267.db2.gz ZEDGSLBBUCDQHG-JAXLGGSGSA-N 1 0 472.659 2.791 20 30 JFEDRO C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001286362725 1060123073 /nfs/dbraw/zinc/12/30/73/1060123073.db2.gz FAJNRJOZSWOOMT-DHLKQENFSA-N 1 0 453.587 2.845 20 30 JFEDRO C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([NH+](C)C)CCCCC1 ZINC001286363366 1060126292 /nfs/dbraw/zinc/12/62/92/1060126292.db2.gz RUCWGKNINJUAGN-UHFFFAOYSA-N 1 0 457.648 2.881 20 30 JFEDRO C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286368610 1060132046 /nfs/dbraw/zinc/13/20/46/1060132046.db2.gz WNQBRNQVTABZAS-MRXNPFEDSA-N 1 0 450.356 2.763 20 30 JFEDRO C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCCC[C@H]1CC ZINC001286377512 1060141316 /nfs/dbraw/zinc/14/13/16/1060141316.db2.gz YPORXBOJKUIENY-UXHICEINSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCc1ncc(CC)s1 ZINC001286378977 1060143375 /nfs/dbraw/zinc/14/33/75/1060143375.db2.gz APQVKSAXQLQLRX-UHFFFAOYSA-N 1 0 463.655 2.974 20 30 JFEDRO C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286380685 1060148392 /nfs/dbraw/zinc/14/83/92/1060148392.db2.gz COGNZYBURJEFNY-LJQANCHMSA-N 1 0 469.611 2.906 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382041 1060153046 /nfs/dbraw/zinc/15/30/46/1060153046.db2.gz IRPDZHLJTZXOMM-URVUXULASA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286383415 1060161790 /nfs/dbraw/zinc/16/17/90/1060161790.db2.gz MMDNRFNQVOMLLK-GOSISDBHSA-N 1 0 481.569 2.513 20 30 JFEDRO C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385724 1060179061 /nfs/dbraw/zinc/17/90/61/1060179061.db2.gz OOAWBNMGGNRXHF-DENIHFKCSA-N 1 0 457.644 2.918 20 30 JFEDRO C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286385816 1060180512 /nfs/dbraw/zinc/18/05/12/1060180512.db2.gz ZQXBHIFWRZCYRS-SCTDSRPQSA-N 1 0 475.684 2.708 20 30 JFEDRO C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001286386081 1060183948 /nfs/dbraw/zinc/18/39/48/1060183948.db2.gz UEGOLKOBPJGCTL-QFIPXVFZSA-N 1 0 499.681 2.725 20 30 JFEDRO C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286386080 1060183988 /nfs/dbraw/zinc/18/39/88/1060183988.db2.gz UEGOLKOBPJGCTL-JOCHJYFZSA-N 1 0 499.681 2.725 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2Cl)n1CC1([NH+](C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286386805 1060192451 /nfs/dbraw/zinc/19/24/51/1060192451.db2.gz HULFNCAUKRVQKM-QGZVFWFLSA-N 1 0 462.019 2.710 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387641 1060202748 /nfs/dbraw/zinc/20/27/48/1060202748.db2.gz HKUIICRJUXSLDW-UNMCSNQZSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(CC)CC)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388721 1060214095 /nfs/dbraw/zinc/21/40/95/1060214095.db2.gz BBQDPFZKXXULGQ-IFMALSPDSA-N 1 0 472.659 2.642 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286390369 1060224708 /nfs/dbraw/zinc/22/47/08/1060224708.db2.gz AMMGLIDUWLXZIA-FIXSFTCYSA-N 1 0 483.682 2.810 20 30 JFEDRO C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+](C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286390676 1060226936 /nfs/dbraw/zinc/22/69/36/1060226936.db2.gz DRQDKEAWVAVXSE-CTNGQTDRSA-N 1 0 482.654 2.707 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286391218 1060230363 /nfs/dbraw/zinc/23/03/63/1060230363.db2.gz GZBUJVUXDZOMEZ-VWNXMTODSA-N 1 0 483.682 2.955 20 30 JFEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCC[N@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001286391445 1060232078 /nfs/dbraw/zinc/23/20/78/1060232078.db2.gz IMTXQFVKYPLXMU-RTWAWAEBSA-N 1 0 490.699 2.525 20 30 JFEDRO C#CCN(c1nnc(CCCc2ccccc2)n1CC1([NH+](C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286391455 1060232215 /nfs/dbraw/zinc/23/22/15/1060232215.db2.gz IQURITZIPNDCNJ-QFIPXVFZSA-N 1 0 469.655 2.564 20 30 JFEDRO C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286395294 1060256648 /nfs/dbraw/zinc/25/66/48/1060256648.db2.gz ZJSZELAUQOJMTF-GOTSBHOMSA-N 1 0 496.681 2.884 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](CC)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286396637 1060261696 /nfs/dbraw/zinc/26/16/96/1060261696.db2.gz WJUOIEUXCMGCNX-PKTZIBPZSA-N 1 0 469.655 2.678 20 30 JFEDRO C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397193 1060268075 /nfs/dbraw/zinc/26/80/75/1060268075.db2.gz YCPYMHFLYUBAJH-LEWJYISDSA-N 1 0 463.692 2.861 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286398749 1060276571 /nfs/dbraw/zinc/27/65/71/1060276571.db2.gz OIMMUKNOJBSNSG-XRXFAXGQSA-N 1 0 479.691 2.554 20 30 JFEDRO C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286399593 1060279391 /nfs/dbraw/zinc/27/93/91/1060279391.db2.gz JWBRBXMDZWAHGQ-XMMPIXPASA-N 1 0 472.637 2.764 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001286401009 1060282342 /nfs/dbraw/zinc/28/23/42/1060282342.db2.gz MOEMNYBMZGSCDJ-UHFFFAOYSA-N 1 0 481.670 2.741 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286408671 1060292218 /nfs/dbraw/zinc/29/22/18/1060292218.db2.gz FLRWRLOVVDCNOB-FCHUYYIVSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286408683 1060292243 /nfs/dbraw/zinc/29/22/43/1060292243.db2.gz JHKFUNSHLRITPT-HXUWFJFHSA-N 1 0 481.670 2.822 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCC[N@H+]1CCCC ZINC001286409658 1060295574 /nfs/dbraw/zinc/29/55/74/1060295574.db2.gz SLOPSKDIVUJOBK-OAQYLSRUSA-N 1 0 481.670 2.966 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286409995 1060296233 /nfs/dbraw/zinc/29/62/33/1060296233.db2.gz VEZQFHFXFSDIRF-HXUWFJFHSA-N 1 0 457.582 2.529 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001286414291 1060300167 /nfs/dbraw/zinc/30/01/67/1060300167.db2.gz VEZCNJRVEYBXTA-GOTSBHOMSA-N 1 0 498.672 2.822 20 30 JFEDRO C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CSCCS1 ZINC001286415113 1060302000 /nfs/dbraw/zinc/30/20/00/1060302000.db2.gz IIBDHRGTDPTNKD-HSZRJFAPSA-N 1 0 480.707 2.564 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001286415025 1060302065 /nfs/dbraw/zinc/30/20/65/1060302065.db2.gz IESBPPITFPQDBO-XMMPIXPASA-N 1 0 474.609 2.823 20 30 JFEDRO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001286416384 1060303978 /nfs/dbraw/zinc/30/39/78/1060303978.db2.gz QSWXRLGDSSRAJD-DVECYGJZSA-N 1 0 452.628 2.853 20 30 JFEDRO C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccnc(SC)c1 ZINC001286416655 1060304322 /nfs/dbraw/zinc/30/43/22/1060304322.db2.gz UJNJOYGIHMJCNP-UHFFFAOYSA-N 1 0 485.661 2.881 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@H]1C ZINC001286418499 1060306139 /nfs/dbraw/zinc/30/61/39/1060306139.db2.gz CIWCBDOTPLGUPM-LJQANCHMSA-N 1 0 452.990 2.809 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@H+](C)C1CCCC1 ZINC001286422535 1060310476 /nfs/dbraw/zinc/31/04/76/1060310476.db2.gz ZVFDRXSZJSKLDM-UHFFFAOYSA-N 1 0 453.612 2.686 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001286424135 1060311923 /nfs/dbraw/zinc/31/19/23/1060311923.db2.gz ZPVVCBTXLAULHI-RCZVLFRGSA-N 1 0 453.562 2.835 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001286425944 1060314943 /nfs/dbraw/zinc/31/49/43/1060314943.db2.gz DKNNRKDQUBASSV-GOTSBHOMSA-N 1 0 460.582 2.538 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286432558 1060324020 /nfs/dbraw/zinc/32/40/20/1060324020.db2.gz ONBGVWJBAXHRNS-QHCPKHFHSA-N 1 0 457.626 2.770 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001286432714 1060324777 /nfs/dbraw/zinc/32/47/77/1060324777.db2.gz VDUVRZYSZBIBGN-DEOSSOPVSA-N 1 0 458.610 2.700 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001286432715 1060324883 /nfs/dbraw/zinc/32/48/83/1060324883.db2.gz VDUVRZYSZBIBGN-XMMPIXPASA-N 1 0 458.610 2.700 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286433603 1060325715 /nfs/dbraw/zinc/32/57/15/1060325715.db2.gz XVNQUEMRQSZEMR-ZLNRFVROSA-N 1 0 497.688 2.538 20 30 JFEDRO C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001286437940 1060328996 /nfs/dbraw/zinc/32/89/96/1060328996.db2.gz PIDOXMAJAGHSOJ-FQEVSTJZSA-N 1 0 472.659 2.775 20 30 JFEDRO C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001286457396 1060338932 /nfs/dbraw/zinc/33/89/32/1060338932.db2.gz NNHLXZOXPXMEBY-UHFFFAOYSA-N 1 0 451.615 2.945 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286457698 1060339416 /nfs/dbraw/zinc/33/94/16/1060339416.db2.gz CMOWHJSOMVOILC-GGAORHGYSA-N 1 0 482.604 2.504 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286458114 1060339713 /nfs/dbraw/zinc/33/97/13/1060339713.db2.gz KKBHVGVNRVOSOP-OAQYLSRUSA-N 1 0 455.578 2.796 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286459363 1060342402 /nfs/dbraw/zinc/34/24/02/1060342402.db2.gz NMXYKTMFCOZJFQ-QFIPXVFZSA-N 1 0 459.598 2.637 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001286466184 1060353265 /nfs/dbraw/zinc/35/32/65/1060353265.db2.gz XGEQOFIQCKHDJM-DNQXCXABSA-N 1 0 467.614 2.897 20 30 JFEDRO C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286467595 1060356094 /nfs/dbraw/zinc/35/60/94/1060356094.db2.gz YNNYKYOUQUNKCN-HDICACEKSA-N 1 0 460.648 2.608 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286472265 1060368829 /nfs/dbraw/zinc/36/88/29/1060368829.db2.gz RMHZKEUBUSIODY-OAQYLSRUSA-N 1 0 487.048 2.939 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286472725 1060370389 /nfs/dbraw/zinc/37/03/89/1060370389.db2.gz DHOWUZVIWAWXMQ-NRFANRHFSA-N 1 0 466.630 2.838 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001286475114 1060389279 /nfs/dbraw/zinc/38/92/79/1060389279.db2.gz QXXDMDSSNYBYNL-HXUWFJFHSA-N 1 0 457.420 2.947 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286482463 1060405645 /nfs/dbraw/zinc/40/56/45/1060405645.db2.gz RNZVFLJJEWLTRY-HSZRJFAPSA-N 1 0 450.631 2.753 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001286482288 1060405865 /nfs/dbraw/zinc/40/58/65/1060405865.db2.gz PCFRQMPQYPVAEF-UHFFFAOYSA-N 1 0 450.631 2.897 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286484275 1060415296 /nfs/dbraw/zinc/41/52/96/1060415296.db2.gz HJIHBGZAZBQUQF-HSZRJFAPSA-N 1 0 450.631 2.961 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286484654 1060418227 /nfs/dbraw/zinc/41/82/27/1060418227.db2.gz UGDITGOWCLMGFV-UHFFFAOYSA-N 1 0 484.620 2.641 20 30 JFEDRO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286484643 1060419519 /nfs/dbraw/zinc/41/95/19/1060419519.db2.gz MTUGUNYRJAFPJZ-OAQYLSRUSA-N 1 0 483.686 2.535 20 30 JFEDRO C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286485563 1060426394 /nfs/dbraw/zinc/42/63/94/1060426394.db2.gz PYSXNGHRNLZKRT-FQEVSTJZSA-N 1 0 454.644 2.676 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286488802 1060455144 /nfs/dbraw/zinc/45/51/44/1060455144.db2.gz UKYMPLMATUUYPB-OAQYLSRUSA-N 1 0 455.006 2.905 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCCC2)CC1 ZINC001286489001 1060456218 /nfs/dbraw/zinc/45/62/18/1060456218.db2.gz BDVIYLSGLOOPKC-UHFFFAOYSA-N 1 0 494.640 2.804 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286489460 1060464035 /nfs/dbraw/zinc/46/40/35/1060464035.db2.gz UCDYOMLTZCFBBF-NRFANRHFSA-N 1 0 499.059 2.921 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286490862 1060479337 /nfs/dbraw/zinc/47/93/37/1060479337.db2.gz VHHPRQLOXZFICT-FQEVSTJZSA-N 1 0 463.630 2.736 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286491614 1060488528 /nfs/dbraw/zinc/48/85/28/1060488528.db2.gz ZDUCGZKRGMXDBK-FGZHOGPDSA-N 1 0 491.684 2.986 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286491615 1060488582 /nfs/dbraw/zinc/48/85/82/1060488582.db2.gz ZDUCGZKRGMXDBK-SZPZYZBQSA-N 1 0 491.684 2.986 20 30 JFEDRO C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001286494505 1060507640 /nfs/dbraw/zinc/50/76/40/1060507640.db2.gz MUUOVKACIXUABZ-QFIPXVFZSA-N 1 0 466.655 2.981 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286494836 1060509160 /nfs/dbraw/zinc/50/91/60/1060509160.db2.gz TXZOHMRWJXRPQV-QFIPXVFZSA-N 1 0 478.641 2.597 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286495009 1060509795 /nfs/dbraw/zinc/50/97/95/1060509795.db2.gz WUTHLQOEZAOSJF-NRFANRHFSA-N 1 0 497.713 2.968 20 30 JFEDRO C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286498786 1060519559 /nfs/dbraw/zinc/51/95/59/1060519559.db2.gz ANNHYLWXVVESGD-GBXCKJPGSA-N 1 0 496.681 2.699 20 30 JFEDRO C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286503229 1060527523 /nfs/dbraw/zinc/52/75/23/1060527523.db2.gz CDRQECAOFRXOLT-UHFFFAOYSA-N 1 0 489.715 2.915 20 30 JFEDRO C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286504612 1060529678 /nfs/dbraw/zinc/52/96/78/1060529678.db2.gz OOCIVPKTQWHJEZ-MOPGFXCFSA-N 1 0 479.654 2.960 20 30 JFEDRO C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286504821 1060530947 /nfs/dbraw/zinc/53/09/47/1060530947.db2.gz QJPYKNWBQGCRGW-UHFFFAOYSA-N 1 0 479.654 2.962 20 30 JFEDRO C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001286505133 1060531911 /nfs/dbraw/zinc/53/19/11/1060531911.db2.gz VOKJTESNCHDDOR-RTWAWAEBSA-N 1 0 452.628 2.696 20 30 JFEDRO C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001286505524 1060532348 /nfs/dbraw/zinc/53/23/48/1060532348.db2.gz CGYQYODEQYUZFA-UHFFFAOYSA-N 1 0 467.618 2.820 20 30 JFEDRO C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286506134 1060533921 /nfs/dbraw/zinc/53/39/21/1060533921.db2.gz QIWSQGCBMVZEKR-RDPSFJRHSA-N 1 0 498.672 2.753 20 30 JFEDRO C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286506136 1060534167 /nfs/dbraw/zinc/53/41/67/1060534167.db2.gz QIWSQGCBMVZEKR-YKSBVNFPSA-N 1 0 498.672 2.753 20 30 JFEDRO C#CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](OC)C1 ZINC001286509286 1060541058 /nfs/dbraw/zinc/54/10/58/1060541058.db2.gz YEQOOADSRRTESW-QHCPKHFHSA-N 1 0 468.671 2.624 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001286516111 1060551521 /nfs/dbraw/zinc/55/15/21/1060551521.db2.gz WFJZVGCVYIEGRX-FTBPSBKWSA-N 1 0 459.635 2.548 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001286527180 1060559485 /nfs/dbraw/zinc/55/94/85/1060559485.db2.gz DDPHHYSMVHZLSU-AJTFRIOCSA-N 1 0 475.641 2.994 20 30 JFEDRO C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286530277 1060563279 /nfs/dbraw/zinc/56/32/79/1060563279.db2.gz KXVSYARLYCPUMO-IBGZPJMESA-N 1 0 496.498 2.710 20 30 JFEDRO C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286538014 1060579782 /nfs/dbraw/zinc/57/97/82/1060579782.db2.gz LBOSTZONEHSWHP-PMACEKPBSA-N 1 0 497.482 2.660 20 30 JFEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286546118 1060594296 /nfs/dbraw/zinc/59/42/96/1060594296.db2.gz GIXPBPUNGKMAMY-PZJWPPBQSA-N 1 0 453.591 2.827 20 30 JFEDRO C=C(C)CN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001286583395 1060673138 /nfs/dbraw/zinc/67/31/38/1060673138.db2.gz KSEVHRVFKPZXGC-NVQXNPDNSA-N 1 0 468.646 2.585 20 30 JFEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286601529 1060702887 /nfs/dbraw/zinc/70/28/87/1060702887.db2.gz LWHQMZRNXHJWFU-MPJJRAAHSA-N 1 0 457.623 2.831 20 30 JFEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286601661 1060703301 /nfs/dbraw/zinc/70/33/01/1060703301.db2.gz SBRNSBKKFFXDJS-HYBUGGRVSA-N 1 0 477.613 2.684 20 30 JFEDRO C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001286602239 1060704512 /nfs/dbraw/zinc/70/45/12/1060704512.db2.gz WERWZVDHRDATLY-UHFFFAOYSA-N 1 0 452.603 2.737 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286604252 1060708325 /nfs/dbraw/zinc/70/83/25/1060708325.db2.gz HKFSJVQOGAWAOF-OFVILXPXSA-N 1 0 496.656 2.925 20 30 JFEDRO C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001286608666 1060718845 /nfs/dbraw/zinc/71/88/45/1060718845.db2.gz UCRNQDMLGHKVNV-UGKGYDQZSA-N 1 0 457.575 2.540 20 30 JFEDRO C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001286608664 1060719018 /nfs/dbraw/zinc/71/90/18/1060719018.db2.gz UCRNQDMLGHKVNV-KNQAVFIVSA-N 1 0 457.575 2.540 20 30 JFEDRO C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC001286615655 1060730709 /nfs/dbraw/zinc/73/07/09/1060730709.db2.gz SNZIEBJBECOZSG-UYAOXDASSA-N 1 0 472.659 2.912 20 30 JFEDRO C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1)c1ccccc1 ZINC001286617824 1060732731 /nfs/dbraw/zinc/73/27/31/1060732731.db2.gz UBRRSMHHZJBCFN-FCHUYYIVSA-N 1 0 452.603 2.880 20 30 JFEDRO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001286621094 1060737827 /nfs/dbraw/zinc/73/78/27/1060737827.db2.gz ZRKIKWUNQDGUDU-PKOBYXMFSA-N 1 0 467.039 2.599 20 30 JFEDRO C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001286623183 1060740495 /nfs/dbraw/zinc/74/04/95/1060740495.db2.gz POXGPEHCDZPLHX-GOSISDBHSA-N 1 0 480.034 2.650 20 30 JFEDRO C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286636164 1060756779 /nfs/dbraw/zinc/75/67/79/1060756779.db2.gz NDJFHYVKSDIHPT-LJQANCHMSA-N 1 0 489.020 2.751 20 30 JFEDRO C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001286646843 1060762998 /nfs/dbraw/zinc/76/29/98/1060762998.db2.gz WGNJBIYVVFTYBL-OAQYLSRUSA-N 1 0 473.643 2.520 20 30 JFEDRO C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001286663517 1060776513 /nfs/dbraw/zinc/77/65/13/1060776513.db2.gz NDSXRYOSYMLCQK-QFIPXVFZSA-N 1 0 487.670 2.961 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286673044 1060787547 /nfs/dbraw/zinc/78/75/47/1060787547.db2.gz SZGYZGHELPLLHJ-NNWRFLSQSA-N 1 0 458.651 2.763 20 30 JFEDRO C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001286692176 1060803866 /nfs/dbraw/zinc/80/38/66/1060803866.db2.gz COYNUCXJTAFULL-AABGKKOBSA-N 1 0 452.669 2.945 20 30 JFEDRO C=CCCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286711638 1060832635 /nfs/dbraw/zinc/83/26/35/1060832635.db2.gz NUUNESZRZWZYRW-HXUWFJFHSA-N 1 0 478.638 2.710 20 30 JFEDRO C=CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ncccc1N(C)C ZINC001286729897 1060850212 /nfs/dbraw/zinc/85/02/12/1060850212.db2.gz GHJNAHXHQLVRPO-UHFFFAOYSA-N 1 0 460.630 2.774 20 30 JFEDRO C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001286732621 1060850921 /nfs/dbraw/zinc/85/09/21/1060850921.db2.gz BPWDEBUFJRFNPJ-OAQYLSRUSA-N 1 0 462.392 2.938 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC001286751071 1060878421 /nfs/dbraw/zinc/87/84/21/1060878421.db2.gz MGONBSWZGAVFGV-NMOFPLQQSA-N 1 0 459.635 2.865 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC001286751865 1060879893 /nfs/dbraw/zinc/87/98/93/1060879893.db2.gz UWUPLYJGVKSWIC-HSZRJFAPSA-N 1 0 474.613 2.695 20 30 JFEDRO C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001286757767 1060885467 /nfs/dbraw/zinc/88/54/67/1060885467.db2.gz VONBDNUACGXFFQ-XMMPIXPASA-N 1 0 460.623 2.638 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001286765257 1060891790 /nfs/dbraw/zinc/89/17/90/1060891790.db2.gz AWRQIDMSLBASJP-WOJBJXKFSA-N 1 0 461.632 2.740 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001286765255 1060891894 /nfs/dbraw/zinc/89/18/94/1060891894.db2.gz AWRQIDMSLBASJP-VQTJNVASSA-N 1 0 461.632 2.740 20 30 JFEDRO C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286770412 1060903022 /nfs/dbraw/zinc/90/30/22/1060903022.db2.gz KFZJANBJBNFZLB-UHFFFAOYSA-N 1 0 489.418 2.647 20 30 JFEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001286776593 1060912716 /nfs/dbraw/zinc/91/27/16/1060912716.db2.gz LLAFNOBSBDNSIH-OAQYLSRUSA-N 1 0 481.645 2.932 20 30 JFEDRO C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286779720 1060921030 /nfs/dbraw/zinc/92/10/30/1060921030.db2.gz KIVJVYJUWIHDFT-NFBKMPQASA-N 1 0 466.630 2.812 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001286784017 1060936433 /nfs/dbraw/zinc/93/64/33/1060936433.db2.gz UCLFVRBYXMOGQH-UHFFFAOYSA-N 1 0 452.603 2.958 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001286784316 1060938019 /nfs/dbraw/zinc/93/80/19/1060938019.db2.gz DMEBLPIVKBDNNA-UHFFFAOYSA-N 1 0 466.611 2.682 20 30 JFEDRO C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001286789591 1060949650 /nfs/dbraw/zinc/94/96/50/1060949650.db2.gz FVIWFNIBKWEEKO-OAQYLSRUSA-N 1 0 452.603 2.841 20 30 JFEDRO C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001286790037 1060950862 /nfs/dbraw/zinc/95/08/62/1060950862.db2.gz BIVMEHFYTTUUOQ-JOCHJYFZSA-N 1 0 468.602 2.649 20 30 JFEDRO C=CCNC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@H](C)C1 ZINC001286790564 1060952660 /nfs/dbraw/zinc/95/26/60/1060952660.db2.gz NLIGVEHVKURLMI-QFIPXVFZSA-N 1 0 465.646 2.571 20 30 JFEDRO C=CCOc1ccc(Cn2c(C)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286794641 1060969015 /nfs/dbraw/zinc/96/90/15/1060969015.db2.gz MYBZPKQXHJKOTC-YADARESESA-N 1 0 452.603 2.579 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001286802899 1060988719 /nfs/dbraw/zinc/98/87/19/1060988719.db2.gz XATZARCYDXDHCN-AZUAARDMSA-N 1 0 459.616 2.614 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001286802905 1060988845 /nfs/dbraw/zinc/98/88/45/1060988845.db2.gz XATZARCYDXDHCN-QUCCMNQESA-N 1 0 459.616 2.614 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001286810631 1061001940 /nfs/dbraw/zinc/00/19/40/1061001940.db2.gz UDVDPOGEKSNBHZ-TZIWHRDSSA-N 1 0 465.664 2.616 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286823286 1061062503 /nfs/dbraw/zinc/06/25/03/1061062503.db2.gz TYDLXENTZBYXGS-UNMCSNQZSA-N 1 0 457.644 2.727 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001286823821 1061065056 /nfs/dbraw/zinc/06/50/56/1061065056.db2.gz YTBSPRIIBFMCRE-UHFFFAOYSA-N 1 0 486.686 2.957 20 30 JFEDRO C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286827145 1061074359 /nfs/dbraw/zinc/07/43/59/1061074359.db2.gz FFHOUFSXNYTOLC-OAQYLSRUSA-N 1 0 470.643 2.616 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)[NH+](C)C)[C@H](C)C1 ZINC001286882192 1061309808 /nfs/dbraw/zinc/30/98/08/1061309808.db2.gz FDQRRXZDTGXOIY-XMSQKQJNSA-N 1 0 477.569 2.682 20 30 JFEDRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2CCOCC[NH+](C)C)cc1C ZINC001289732489 1061342491 /nfs/dbraw/zinc/34/24/91/1061342491.db2.gz GGOLWVIQXIYMKL-UHFFFAOYSA-N 1 0 453.591 2.856 20 30 JFEDRO CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286933086 1061564384 /nfs/dbraw/zinc/56/43/84/1061564384.db2.gz TTWFKMQLBUXAHD-XMMPIXPASA-N 1 0 479.629 2.526 20 30 JFEDRO Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(C)(C)C[NH+](C)C)n1 ZINC001289983704 1061706565 /nfs/dbraw/zinc/70/65/65/1061706565.db2.gz RVDNQSSKSKRHGW-IBGZPJMESA-N 1 0 474.617 2.613 20 30 JFEDRO Cc1cccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)n1 ZINC001289983705 1061706630 /nfs/dbraw/zinc/70/66/30/1061706630.db2.gz RVDNQSSKSKRHGW-LJQANCHMSA-N 1 0 474.617 2.613 20 30 JFEDRO CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC001286960751 1061733320 /nfs/dbraw/zinc/73/33/20/1061733320.db2.gz IVHIXPMVUYXZKP-JIPXPUAJSA-N 1 0 496.656 2.920 20 30 JFEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001286964584 1061739158 /nfs/dbraw/zinc/73/91/58/1061739158.db2.gz CFCWLTSSBLSRMQ-RTBURBONSA-N 1 0 472.663 2.954 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)Cc1ccccc1 ZINC001286966576 1061741265 /nfs/dbraw/zinc/74/12/65/1061741265.db2.gz UPRQGUJUQPSLGM-IBGZPJMESA-N 1 0 480.642 2.966 20 30 JFEDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001286974823 1061770854 /nfs/dbraw/zinc/77/08/54/1061770854.db2.gz ATXLZHNECHGUSF-MOPGFXCFSA-N 1 0 488.658 2.861 20 30 JFEDRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C1CCCC1 ZINC001286977210 1061789895 /nfs/dbraw/zinc/78/98/95/1061789895.db2.gz HDAPUAJGCURNDZ-ROUUACIJSA-N 1 0 458.632 2.949 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 ZINC001294308535 1061796448 /nfs/dbraw/zinc/79/64/48/1061796448.db2.gz LVRXYKJFHKZQHZ-AZUAARDMSA-N 1 0 465.668 2.673 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294309946 1061800735 /nfs/dbraw/zinc/80/07/35/1061800735.db2.gz DEJWPQGYGKSZQR-JOCHJYFZSA-N 1 0 485.658 2.553 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 ZINC001294318624 1061819281 /nfs/dbraw/zinc/81/92/81/1061819281.db2.gz UTZOTRQERHCJSQ-RBUKOAKNSA-N 1 0 471.631 2.653 20 30 JFEDRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001286981861 1061822483 /nfs/dbraw/zinc/82/24/83/1061822483.db2.gz LMLVHSJTBQYNEC-PKTZIBPZSA-N 1 0 493.656 2.795 20 30 JFEDRO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001287014622 1061949105 /nfs/dbraw/zinc/94/91/05/1061949105.db2.gz JTHIFCVAMVSFEF-YADHBBJMSA-N 1 0 452.603 2.915 20 30 JFEDRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCOCCCO ZINC001287031074 1061982702 /nfs/dbraw/zinc/98/27/02/1061982702.db2.gz VXIQEVAVYMBROF-UHFFFAOYSA-N 1 0 454.619 2.850 20 30 JFEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 ZINC001294460830 1062008963 /nfs/dbraw/zinc/00/89/63/1062008963.db2.gz MDEKSTGCTZMNJH-IFMALSPDSA-N 1 0 451.619 2.706 20 30 JFEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287046592 1062029345 /nfs/dbraw/zinc/02/93/45/1062029345.db2.gz VEVZQPXHQWWHAC-IZHYLOQSSA-N 1 0 491.640 2.900 20 30 JFEDRO CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001287048379 1062037416 /nfs/dbraw/zinc/03/74/16/1062037416.db2.gz WVYXXACDHJPLLI-UHFFFAOYSA-N 1 0 464.618 2.933 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NCC)CC2)CC1 ZINC001294647168 1062181618 /nfs/dbraw/zinc/18/16/18/1062181618.db2.gz CRMWLKGFITZKSE-UHFFFAOYSA-N 1 0 464.618 2.790 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(CC)CC)CC2)C1 ZINC001294649801 1062193210 /nfs/dbraw/zinc/19/32/10/1062193210.db2.gz RQZWJGOZYJVEKU-HSZRJFAPSA-N 1 0 492.672 2.539 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294650297 1062195685 /nfs/dbraw/zinc/19/56/85/1062195685.db2.gz TUVSRYUUQTZJOB-FPOVZHCZSA-N 1 0 456.616 2.562 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294666693 1062219726 /nfs/dbraw/zinc/21/97/26/1062219726.db2.gz JEIOTOPSLDFRQN-OAQYLSRUSA-N 1 0 465.602 2.566 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC3([NH+](C)C)CCCC3)CC2)c1C#N ZINC001290578216 1062384677 /nfs/dbraw/zinc/38/46/77/1062384677.db2.gz WQKQQNBATYMERF-UHFFFAOYSA-N 1 0 453.639 2.690 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC001290591856 1062411380 /nfs/dbraw/zinc/41/13/80/1062411380.db2.gz UROUYPMAPTZCOO-YKSBVNFPSA-N 1 0 476.629 2.883 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294933740 1062709327 /nfs/dbraw/zinc/70/93/27/1062709327.db2.gz CIPQEIXNXFDOBH-DQEYMECFSA-N 1 0 468.602 2.939 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1OC ZINC001294939905 1062723584 /nfs/dbraw/zinc/72/35/84/1062723584.db2.gz HEDXGPHHYILEIV-WOJBJXKFSA-N 1 0 454.575 2.811 20 30 JFEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)[NH+](C)C ZINC001287323938 1062801187 /nfs/dbraw/zinc/80/11/87/1062801187.db2.gz XZTRXMYSLNMNEV-VXKWHMMOSA-N 1 0 464.618 2.833 20 30 JFEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001290967158 1062841420 /nfs/dbraw/zinc/84/14/20/1062841420.db2.gz PNYTWXOKBRLCQL-SFHVURJKSA-N 1 0 451.999 2.876 20 30 JFEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001290999153 1062892862 /nfs/dbraw/zinc/89/28/62/1062892862.db2.gz JIXHMRFIPIJBLH-PMACEKPBSA-N 1 0 479.629 2.764 20 30 JFEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001287456685 1062894209 /nfs/dbraw/zinc/89/42/09/1062894209.db2.gz IIKMPCFWRUMTGK-CJFMBICVSA-N 1 0 452.603 2.600 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295162033 1062985978 /nfs/dbraw/zinc/98/59/78/1062985978.db2.gz MWXKYNXNHIBDGP-IPJJNNNSSA-N 1 0 470.643 2.951 20 30 JFEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295173604 1062997107 /nfs/dbraw/zinc/99/71/07/1062997107.db2.gz FKSOSRYFIACAEZ-HXUWFJFHSA-N 1 0 456.616 2.705 20 30 JFEDRO CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001287599074 1062999065 /nfs/dbraw/zinc/99/90/65/1062999065.db2.gz SIFXMAHDCSFABJ-NRFANRHFSA-N 1 0 478.439 2.879 20 30 JFEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001287631483 1063012116 /nfs/dbraw/zinc/01/21/16/1063012116.db2.gz ZRXXDAHASVGEKX-UHFFFAOYSA-N 1 0 470.643 2.810 20 30 JFEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 ZINC001291094981 1063053733 /nfs/dbraw/zinc/05/37/33/1063053733.db2.gz CKXAHPZKCJHJOL-IRLDBZIGSA-N 1 0 499.685 2.847 20 30 JFEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001291102235 1063076293 /nfs/dbraw/zinc/07/62/93/1063076293.db2.gz JOEQTOUJPOSULE-OAQYLSRUSA-N 1 0 492.672 2.537 20 30 JFEDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001291123170 1063137081 /nfs/dbraw/zinc/13/70/81/1063137081.db2.gz FWNPAFWZHFYRLT-FQEVSTJZSA-N 1 0 479.629 2.800 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001291124207 1063141366 /nfs/dbraw/zinc/14/13/66/1063141366.db2.gz ZKWBMSNZHIUQQS-TZIWHRDSSA-N 1 0 486.642 2.589 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001291124204 1063141441 /nfs/dbraw/zinc/14/14/41/1063141441.db2.gz ZKWBMSNZHIUQQS-CTNGQTDRSA-N 1 0 486.642 2.589 20 30 JFEDRO C[C@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1 ZINC001291128748 1063165281 /nfs/dbraw/zinc/16/52/81/1063165281.db2.gz BUAPDTGSHWPBSX-FQEVSTJZSA-N 1 0 460.586 2.930 20 30 JFEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001291136649 1063193277 /nfs/dbraw/zinc/19/32/77/1063193277.db2.gz BBMNPJLERNCMJQ-DVECYGJZSA-N 1 0 485.658 2.810 20 30 JFEDRO CC1CC[NH+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001291179957 1063270378 /nfs/dbraw/zinc/27/03/78/1063270378.db2.gz QQTMEBWFZHUBSH-NRFANRHFSA-N 1 0 486.642 2.589 20 30 JFEDRO CC1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291181492 1063275175 /nfs/dbraw/zinc/27/51/75/1063275175.db2.gz JIPUBLJVDJAEPI-NRFANRHFSA-N 1 0 456.616 2.562 20 30 JFEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C[C@H](C)O1 ZINC001291188344 1063303288 /nfs/dbraw/zinc/30/32/88/1063303288.db2.gz IMZZSPWLGYVBEB-VWPQPMDRSA-N 1 0 468.602 2.516 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295360772 1063321808 /nfs/dbraw/zinc/32/18/08/1063321808.db2.gz GTCRWGDDUMAKOU-VQIMIIECSA-N 1 0 489.466 2.953 20 30 JFEDRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C ZINC001291194776 1063329117 /nfs/dbraw/zinc/32/91/17/1063329117.db2.gz DPTIQMWXPABOMU-NRFANRHFSA-N 1 0 488.644 2.759 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001295367080 1063331676 /nfs/dbraw/zinc/33/16/76/1063331676.db2.gz SMLUPICXADTXAN-LJQANCHMSA-N 1 0 487.674 2.797 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001295384546 1063359787 /nfs/dbraw/zinc/35/97/87/1063359787.db2.gz HUMOLNLKDHLASM-MOPGFXCFSA-N 1 0 453.591 2.516 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001295386635 1063362886 /nfs/dbraw/zinc/36/28/86/1063362886.db2.gz VGMFIYCZJXKCAK-WMZHIEFXSA-N 1 0 478.601 2.770 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001295387597 1063364861 /nfs/dbraw/zinc/36/48/61/1063364861.db2.gz GKBVUMLDGOUZED-HXUWFJFHSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccsc1 ZINC001295397251 1063383620 /nfs/dbraw/zinc/38/36/20/1063383620.db2.gz LQWGDNDNACQYGG-OAQYLSRUSA-N 1 0 467.647 2.971 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001295465695 1063471042 /nfs/dbraw/zinc/47/10/42/1063471042.db2.gz OKUATKIIMVYYKZ-NRFANRHFSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001295481851 1063494985 /nfs/dbraw/zinc/49/49/85/1063494985.db2.gz BHMGCIHVBZPYOC-IRLDBZIGSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001295511623 1063546532 /nfs/dbraw/zinc/54/65/32/1063546532.db2.gz LZTGUHCSEFJASM-RTWAWAEBSA-N 1 0 470.643 2.810 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001295532374 1063569212 /nfs/dbraw/zinc/56/92/12/1063569212.db2.gz FKNWFUZLZWJBJN-UHFFFAOYSA-N 1 0 461.618 2.604 20 30 JFEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC(=O)N1C ZINC001291279595 1063599411 /nfs/dbraw/zinc/59/94/11/1063599411.db2.gz RECWUEKSZLEBPG-DYESRHJHSA-N 1 0 479.610 2.760 20 30 JFEDRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 ZINC001291289578 1063657455 /nfs/dbraw/zinc/65/74/55/1063657455.db2.gz MKONSGQAQPSNRG-OAGGEKHMSA-N 1 0 495.447 2.997 20 30 JFEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 ZINC001291295204 1063694433 /nfs/dbraw/zinc/69/44/33/1063694433.db2.gz VZLJZJHLBCYXGB-WZONZLPQSA-N 1 0 460.529 2.939 20 30 JFEDRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C(C)C ZINC001295820900 1063826487 /nfs/dbraw/zinc/82/64/87/1063826487.db2.gz JKSZBSLSXHKRHS-NRFANRHFSA-N 1 0 453.591 2.596 20 30 JFEDRO CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291364247 1063882495 /nfs/dbraw/zinc/88/24/95/1063882495.db2.gz LWXDDRWHGDXPLN-UZINWLIJSA-N 1 0 465.646 2.973 20 30 JFEDRO CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291365427 1063886374 /nfs/dbraw/zinc/88/63/74/1063886374.db2.gz IHKCSSSBSJNYNL-RDGATRHJSA-N 1 0 451.619 2.582 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1)C(C)C ZINC001295865193 1063896593 /nfs/dbraw/zinc/89/65/93/1063896593.db2.gz FEDXGVHUCQEBSY-UHFFFAOYSA-N 1 0 475.601 2.576 20 30 JFEDRO CC[N@H+](CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868680 1063905183 /nfs/dbraw/zinc/90/51/83/1063905183.db2.gz UOKNSYVFXVBEEL-SANMLTNESA-N 1 0 496.660 2.642 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001295878287 1063920077 /nfs/dbraw/zinc/92/00/77/1063920077.db2.gz QSJKYRAMKPTWEQ-UHFFFAOYSA-N 1 0 456.616 2.562 20 30 JFEDRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001291388731 1063937876 /nfs/dbraw/zinc/93/78/76/1063937876.db2.gz BRRCOKAIMMYOKH-PIBDYAPNSA-N 1 0 452.603 2.772 20 30 JFEDRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291390465 1063940887 /nfs/dbraw/zinc/94/08/87/1063940887.db2.gz XWYNHBDVGSGKLD-FNZWTVRRSA-N 1 0 481.645 2.604 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C ZINC001296014033 1064075642 /nfs/dbraw/zinc/07/56/42/1064075642.db2.gz XPFKSYLXRIISBD-IUKKYPGJSA-N 1 0 456.616 2.516 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001296022695 1064083555 /nfs/dbraw/zinc/08/35/55/1064083555.db2.gz CUOQXOFODQLKCD-JOCHJYFZSA-N 1 0 470.643 2.952 20 30 JFEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296056489 1064117589 /nfs/dbraw/zinc/11/75/89/1064117589.db2.gz LPFCKQVTHLMQQD-QFIPXVFZSA-N 1 0 465.602 2.523 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296061187 1064126694 /nfs/dbraw/zinc/12/66/94/1064126694.db2.gz VSGMTCSNLSVNPW-RTWAWAEBSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001296079183 1064146041 /nfs/dbraw/zinc/14/60/41/1064146041.db2.gz CTGHUHOBQIMERI-FCHUYYIVSA-N 1 0 465.602 2.740 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291622046 1064162293 /nfs/dbraw/zinc/16/22/93/1064162293.db2.gz XONRPGFRKYAZFF-JPYJTQIMSA-N 1 0 454.648 2.822 20 30 JFEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c2ncc(C=O)n2c1 ZINC001291641961 1064191783 /nfs/dbraw/zinc/19/17/83/1064191783.db2.gz WJZRSWRBHKSDIW-UHFFFAOYSA-N 1 0 454.328 2.985 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001291644465 1064198336 /nfs/dbraw/zinc/19/83/36/1064198336.db2.gz XUFLNSQWGLULNC-HYHOCUEZSA-N 1 0 457.623 2.876 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001296132395 1064229613 /nfs/dbraw/zinc/22/96/13/1064229613.db2.gz BHYJTQMOJSUNFV-HXUWFJFHSA-N 1 0 463.586 2.984 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001291766249 1064247707 /nfs/dbraw/zinc/24/77/07/1064247707.db2.gz UCDOJWVVYVQXIU-OFNKIYASSA-N 1 0 462.602 2.957 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001291766939 1064249035 /nfs/dbraw/zinc/24/90/35/1064249035.db2.gz HATJFZLAGFYSBW-LJQANCHMSA-N 1 0 487.674 2.797 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001291771982 1064255124 /nfs/dbraw/zinc/25/51/24/1064255124.db2.gz MUYXNMYUTKPISU-HXUWFJFHSA-N 1 0 459.602 2.659 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001291783661 1064277655 /nfs/dbraw/zinc/27/76/55/1064277655.db2.gz ORHLFNLVJHXOSM-RXVVDRJESA-N 1 0 453.591 2.564 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001291785872 1064281748 /nfs/dbraw/zinc/28/17/48/1064281748.db2.gz XNGRZCIHMSVEBY-HXUWFJFHSA-N 1 0 494.644 2.843 20 30 JFEDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(F)(F)F)C2)CC1 ZINC001296183168 1064326744 /nfs/dbraw/zinc/32/67/44/1064326744.db2.gz ZCNFXXICEYZKBP-GOSISDBHSA-N 1 0 463.508 2.507 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296185260 1064333050 /nfs/dbraw/zinc/33/30/50/1064333050.db2.gz OEBVQBNISPWFNH-VGOFRKELSA-N 1 0 460.989 2.709 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296191457 1064341867 /nfs/dbraw/zinc/34/18/67/1064341867.db2.gz ALSBXJTUFARKNC-NZQKXSOJSA-N 1 0 451.619 2.706 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296191456 1064341971 /nfs/dbraw/zinc/34/19/71/1064341971.db2.gz ALSBXJTUFARKNC-NFBKMPQASA-N 1 0 451.619 2.706 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001296193115 1064347921 /nfs/dbraw/zinc/34/79/21/1064347921.db2.gz HNHNYSXQMRXEIQ-OALUTQOASA-N 1 0 453.591 2.686 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296204250 1064385699 /nfs/dbraw/zinc/38/56/99/1064385699.db2.gz QSKVIPAGXHANKH-XMMPIXPASA-N 1 0 457.573 2.868 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296205890 1064392633 /nfs/dbraw/zinc/39/26/33/1064392633.db2.gz FCIGXEKKUBSNOZ-UHFFFAOYSA-N 1 0 452.563 2.621 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296206371 1064395436 /nfs/dbraw/zinc/39/54/36/1064395436.db2.gz OUDMTYKNWKHOPA-UHFFFAOYSA-N 1 0 492.672 2.728 20 30 JFEDRO CC[NH+]1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296213030 1064406629 /nfs/dbraw/zinc/40/66/29/1064406629.db2.gz FHUWVYDEAIRKNG-NRFANRHFSA-N 1 0 469.659 2.635 20 30 JFEDRO CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CC[NH+](C(C)C)CC2)c2ccccc2c1=O ZINC001296214713 1064414411 /nfs/dbraw/zinc/41/44/11/1064414411.db2.gz PSRUFPXQPFKVGX-LJQANCHMSA-N 1 0 492.628 2.506 20 30 JFEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001291950925 1064562526 /nfs/dbraw/zinc/56/25/26/1064562526.db2.gz AYZDYZOFXPIMQE-PKTZIBPZSA-N 1 0 463.586 2.683 20 30 JFEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC001291967935 1064583161 /nfs/dbraw/zinc/58/31/61/1064583161.db2.gz SARSHOSBJHVWFQ-GOTSBHOMSA-N 1 0 479.629 2.874 20 30 JFEDRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC001291967937 1064583242 /nfs/dbraw/zinc/58/32/42/1064583242.db2.gz SARSHOSBJHVWFQ-PKTZIBPZSA-N 1 0 479.629 2.874 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001296306211 1064584720 /nfs/dbraw/zinc/58/47/20/1064584720.db2.gz HQYWTFQPBDMJFY-NRFANRHFSA-N 1 0 464.618 2.789 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001296306212 1064584950 /nfs/dbraw/zinc/58/49/50/1064584950.db2.gz HQYWTFQPBDMJFY-OAQYLSRUSA-N 1 0 464.618 2.789 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001296307434 1064588206 /nfs/dbraw/zinc/58/82/06/1064588206.db2.gz HXKMOBHQXQYEJW-NRFANRHFSA-N 1 0 452.607 2.645 20 30 JFEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)[NH+](C)C ZINC001291975234 1064589569 /nfs/dbraw/zinc/58/95/69/1064589569.db2.gz QVEVCVYIGDZBEP-HSZRJFAPSA-N 1 0 467.618 2.764 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292117261 1064843743 /nfs/dbraw/zinc/84/37/43/1064843743.db2.gz JZXSUSOUJGMLFI-QGZVFWFLSA-N 1 0 487.052 2.998 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292122143 1064855953 /nfs/dbraw/zinc/85/59/53/1064855953.db2.gz OBGARTRDWDQVHK-PKTZIBPZSA-N 1 0 496.635 2.815 20 30 JFEDRO CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001292267124 1065046359 /nfs/dbraw/zinc/04/63/59/1065046359.db2.gz JBVRDIVWBGSEFF-UHFFFAOYSA-N 1 0 467.618 2.551 20 30 JFEDRO CCc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)[NH+](C)C)cc1 ZINC001292457316 1065179516 /nfs/dbraw/zinc/17/95/16/1065179516.db2.gz JWUPZXHNNDXUES-RDPSFJRHSA-N 1 0 453.566 2.821 20 30 JFEDRO CCc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)[NH+](C)C)cc1 ZINC001292457314 1065179558 /nfs/dbraw/zinc/17/95/58/1065179558.db2.gz JWUPZXHNNDXUES-HYBUGGRVSA-N 1 0 453.566 2.821 20 30 JFEDRO CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC001292460597 1065189088 /nfs/dbraw/zinc/18/90/88/1065189088.db2.gz JEQGASMYHXUUGO-BJESRGMDSA-N 1 0 468.602 2.596 20 30 JFEDRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CCNC(=O)C2N=CC=CC2=O)cc1 ZINC001292483197 1065204620 /nfs/dbraw/zinc/20/46/20/1065204620.db2.gz BYBJKJUGUJZZEW-KKLKEOMVSA-N 1 0 477.613 2.953 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292614158 1065341929 /nfs/dbraw/zinc/34/19/29/1065341929.db2.gz CTAYFOQZMZUQJP-JAXLGGSGSA-N 1 0 468.602 2.648 20 30 JFEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001292663551 1065398955 /nfs/dbraw/zinc/39/89/55/1065398955.db2.gz YZULUPNFDFEZGE-GGPKGHCWSA-N 1 0 458.006 2.582 20 30 JFEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 ZINC001293023336 1065696268 /nfs/dbraw/zinc/69/62/68/1065696268.db2.gz LYMKPSBFAYTLGS-UHFFFAOYSA-N 1 0 451.497 2.516 20 30 JFEDRO CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001293111309 1065757029 /nfs/dbraw/zinc/75/70/29/1065757029.db2.gz ORXFKEJHFKOHLW-UHFFFAOYSA-N 1 0 474.613 2.813 20 30 JFEDRO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293113551 1065759598 /nfs/dbraw/zinc/75/95/98/1065759598.db2.gz JIHUQFJVYQZKGF-HXUWFJFHSA-N 1 0 465.650 2.975 20 30 JFEDRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CC[NH+](CC)CC1 ZINC001293244976 1065909174 /nfs/dbraw/zinc/90/91/74/1065909174.db2.gz YHHDZXAUSILPQX-QFIPXVFZSA-N 1 0 465.602 2.566 20 30 JFEDRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001293765455 1066253914 /nfs/dbraw/zinc/25/39/14/1066253914.db2.gz MOBVNVBDFLFWGS-UHFFFAOYSA-N 1 0 479.629 2.813 20 30 JFEDRO CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001293834487 1066339026 /nfs/dbraw/zinc/33/90/26/1066339026.db2.gz JIVFOLKHVVJSPC-FNZWTVRRSA-N 1 0 482.629 2.969 20 30 JFEDRO CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294069902 1066540407 /nfs/dbraw/zinc/54/04/07/1066540407.db2.gz ZQTDIJWHQILJRB-DHLKQENFSA-N 1 0 468.602 2.559 20 30 JFEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)CC2)CC1 ZINC001164618895 719033869 /nfs/dbraw/zinc/03/38/69/719033869.db2.gz ZVUXIWDQBRODLO-LJQANCHMSA-N 1 0 457.575 2.669 20 30 JFEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)CC2)CC1 ZINC001164618891 719033882 /nfs/dbraw/zinc/03/38/82/719033882.db2.gz ZVUXIWDQBRODLO-IBGZPJMESA-N 1 0 457.575 2.669 20 30 JFEDRO CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683538 719681476 /nfs/dbraw/zinc/68/14/76/719681476.db2.gz GBGQDEIVINERRY-IBGZPJMESA-N 1 0 471.609 2.876 20 30 JFEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164714445 720169659 /nfs/dbraw/zinc/16/96/59/720169659.db2.gz PFTZQHDASYLOHU-XUZZJYLKSA-N 1 0 472.597 2.785 20 30 JFEDRO Cn1nnc2c1CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719945 720188270 /nfs/dbraw/zinc/18/82/70/720188270.db2.gz ZAMDYISNDHCKIC-CVDCTZTESA-N 1 0 476.560 2.616 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837737 720606486 /nfs/dbraw/zinc/60/64/86/720606486.db2.gz IVQRTNYAZAZNOS-VLVHOKLOSA-N 1 0 473.581 2.984 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837735 720608219 /nfs/dbraw/zinc/60/82/19/720608219.db2.gz IVQRTNYAZAZNOS-DZCCDHAISA-N 1 0 473.581 2.984 20 30 JFEDRO COC(=O)c1cc(C#N)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750539 720931210 /nfs/dbraw/zinc/93/12/10/720931210.db2.gz JUKXVUYJKSIJRH-ATIYNZHBSA-N 1 0 461.566 2.890 20 30 JFEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC2)C1 ZINC001164874100 721264335 /nfs/dbraw/zinc/26/43/35/721264335.db2.gz JBPRQXVGAGBSMI-UHFFFAOYSA-N 1 0 451.546 2.766 20 30 JFEDRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)C1 ZINC001164778088 721331910 /nfs/dbraw/zinc/33/19/10/721331910.db2.gz UIQQYIXEGPJYBR-RUZDIDTESA-N 1 0 450.587 2.713 20 30 JFEDRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)C1 ZINC001164778091 721331944 /nfs/dbraw/zinc/33/19/44/721331944.db2.gz UIQQYIXEGPJYBR-VWLOTQADSA-N 1 0 450.587 2.713 20 30 JFEDRO COc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c(Cl)n1 ZINC001164886485 721421373 /nfs/dbraw/zinc/42/13/73/721421373.db2.gz JEEWKRODHJRVIH-IIBYNOLFSA-N 1 0 469.964 2.926 20 30 JFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC3)CC1 ZINC001164799190 721514562 /nfs/dbraw/zinc/51/45/62/721514562.db2.gz YDNKFMOZBGBNHW-UHFFFAOYSA-N 1 0 466.952 2.772 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903490 721554268 /nfs/dbraw/zinc/55/42/68/721554268.db2.gz BNNLVEGJINETCE-DFQSSKMNSA-N 1 0 461.497 2.891 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981747 722150060 /nfs/dbraw/zinc/15/00/60/722150060.db2.gz QHDPYSYBXNVGEW-HBMCJLEFSA-N 1 0 464.570 2.548 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286269142 1060027758 /nfs/dbraw/zinc/02/77/58/1060027758.db2.gz CPWPJMZMAIUQBA-LEWJYISDSA-N 1 0 472.597 2.594 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286273727 1060031482 /nfs/dbraw/zinc/03/14/82/1060031482.db2.gz GICPLNWNNMWBLX-RXFWQSSRSA-N 1 0 451.615 2.876 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+](C(C)C)C(C)C ZINC001286279432 1060037673 /nfs/dbraw/zinc/03/76/73/1060037673.db2.gz MGRWYKLTNVZTTQ-LJQANCHMSA-N 1 0 460.648 2.772 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC[N@H+]1CC ZINC001286294831 1060048860 /nfs/dbraw/zinc/04/88/60/1060048860.db2.gz FRDYJIWGADUGMZ-XUVXKRRUSA-N 1 0 460.623 2.919 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)CCOC ZINC001286298621 1060051682 /nfs/dbraw/zinc/05/16/82/1060051682.db2.gz MMMAGEPXJIXYFB-UXHICEINSA-N 1 0 462.639 2.819 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCNC(=O)c1cccs1 ZINC001286302338 1060054085 /nfs/dbraw/zinc/05/40/85/1060054085.db2.gz LMBJJOMQISDKGO-NRFANRHFSA-N 1 0 491.665 2.592 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001286302150 1060054153 /nfs/dbraw/zinc/05/41/53/1060054153.db2.gz KLNNUUZWACFTMC-QFIPXVFZSA-N 1 0 472.641 2.610 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC1CCOCC1 ZINC001286304812 1060057833 /nfs/dbraw/zinc/05/78/33/1060057833.db2.gz XUCARIVLQOSROL-QFIPXVFZSA-N 1 0 450.631 2.917 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001286310301 1060066827 /nfs/dbraw/zinc/06/68/27/1060066827.db2.gz SIWYEDKQUWHMTH-HXUWFJFHSA-N 1 0 472.597 2.913 20 30 JFEDRO C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286314889 1060075724 /nfs/dbraw/zinc/07/57/24/1060075724.db2.gz IEVPIMQKZPTNQV-VQTJNVASSA-N 1 0 472.659 2.918 20 30 JFEDRO C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286314943 1060076226 /nfs/dbraw/zinc/07/62/26/1060076226.db2.gz JMUPFJLLALXMFM-JOCHJYFZSA-N 1 0 466.630 2.982 20 30 JFEDRO C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286316337 1060077376 /nfs/dbraw/zinc/07/73/76/1060077376.db2.gz HYQIPMVXQAMLES-NRFANRHFSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001286356547 1060113989 /nfs/dbraw/zinc/11/39/89/1060113989.db2.gz RQXUEBIHAKCOBW-UHFFFAOYSA-N 1 0 483.686 2.678 20 30 JFEDRO C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001286362728 1060123101 /nfs/dbraw/zinc/12/31/01/1060123101.db2.gz FAJNRJOZSWOOMT-WIOPSUGQSA-N 1 0 453.587 2.845 20 30 JFEDRO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C ZINC001286376247 1060139274 /nfs/dbraw/zinc/13/92/74/1060139274.db2.gz IGBBIVXPUABEEC-OAQYLSRUSA-N 1 0 498.628 2.645 20 30 JFEDRO C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001286379282 1060143428 /nfs/dbraw/zinc/14/34/28/1060143428.db2.gz MKZQSTIMMXCWQS-RUZDIDTESA-N 1 0 464.639 2.681 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286383265 1060160925 /nfs/dbraw/zinc/16/09/25/1060160925.db2.gz LXQMEEJZOFOGEL-RBBKRZOGSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286386667 1060189376 /nfs/dbraw/zinc/18/93/76/1060189376.db2.gz FRNZQOZVLVMACG-VWPQPMDRSA-N 1 0 484.670 2.723 20 30 JFEDRO C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286386665 1060189446 /nfs/dbraw/zinc/18/94/46/1060189446.db2.gz FRNZQOZVLVMACG-RZUBCFFCSA-N 1 0 484.670 2.723 20 30 JFEDRO C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C[NH+](CC)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001286386799 1060192415 /nfs/dbraw/zinc/19/24/15/1060192415.db2.gz HQZQDMJSHAYFFG-QHCPKHFHSA-N 1 0 492.649 2.857 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387550 1060201353 /nfs/dbraw/zinc/20/13/53/1060201353.db2.gz GIGGOISUVDZRFS-LJQANCHMSA-N 1 0 450.008 2.565 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387683 1060203414 /nfs/dbraw/zinc/20/34/14/1060203414.db2.gz UBVGNGAGAIQQHF-WOJBJXKFSA-N 1 0 473.643 2.557 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388849 1060215972 /nfs/dbraw/zinc/21/59/72/1060215972.db2.gz VZNADOVSYBYLBC-LJQANCHMSA-N 1 0 459.616 2.738 20 30 JFEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCC[N@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001286391447 1060232139 /nfs/dbraw/zinc/23/21/39/1060232139.db2.gz IMTXQFVKYPLXMU-SFTDATJTSA-N 1 0 490.699 2.525 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1CC1([NH+](C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286392754 1060240225 /nfs/dbraw/zinc/24/02/25/1060240225.db2.gz NLKHLSPPFAVYJV-JOCHJYFZSA-N 1 0 469.655 2.564 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286393892 1060246186 /nfs/dbraw/zinc/24/61/86/1060246186.db2.gz LIYQWUDWOUYBGV-RXVVDRJESA-N 1 0 478.062 2.879 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286393907 1060246918 /nfs/dbraw/zinc/24/69/18/1060246918.db2.gz LQWAJJUYZMPIHR-XZOQPEGZSA-N 1 0 487.645 2.755 20 30 JFEDRO C#CCN(c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286394194 1060249548 /nfs/dbraw/zinc/24/95/48/1060249548.db2.gz VECYESAMVNVAGP-TZIWHRDSSA-N 1 0 475.684 2.822 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[N@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286394367 1060250239 /nfs/dbraw/zinc/25/02/39/1060250239.db2.gz IXEGQTWVDWHCEC-FCHUYYIVSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395178 1060254188 /nfs/dbraw/zinc/25/41/88/1060254188.db2.gz RGJFRFGYCWRWRL-NFBKMPQASA-N 1 0 487.645 2.899 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286398709 1060276125 /nfs/dbraw/zinc/27/61/25/1060276125.db2.gz MZZBDVWIAJUCMH-YPAWHYETSA-N 1 0 491.702 2.698 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286408820 1060292346 /nfs/dbraw/zinc/29/23/46/1060292346.db2.gz FLRWRLOVVDCNOB-YADHBBJMSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001286410537 1060297403 /nfs/dbraw/zinc/29/74/03/1060297403.db2.gz BVMXWMPHPQWNJK-UHFFFAOYSA-N 1 0 461.610 2.985 20 30 JFEDRO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001286416729 1060304498 /nfs/dbraw/zinc/30/44/98/1060304498.db2.gz WWZZWDSTIGGHRE-UHFFFAOYSA-N 1 0 472.618 2.987 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286419452 1060307236 /nfs/dbraw/zinc/30/72/36/1060307236.db2.gz XSKKQTHJPRVRFA-HSZRJFAPSA-N 1 0 475.641 2.636 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001286419492 1060307414 /nfs/dbraw/zinc/30/74/14/1060307414.db2.gz YYZMWTWYTMLMGQ-UHFFFAOYSA-N 1 0 459.529 2.659 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001286426229 1060316038 /nfs/dbraw/zinc/31/60/38/1060316038.db2.gz OLOWMXVNNUCFBK-HXUWFJFHSA-N 1 0 459.598 2.631 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCSCC1 ZINC001286426351 1060316342 /nfs/dbraw/zinc/31/63/42/1060316342.db2.gz SNLQPSPTXULDON-UHFFFAOYSA-N 1 0 489.649 2.748 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286426435 1060316410 /nfs/dbraw/zinc/31/64/10/1060316410.db2.gz VORIDWGYZKERKK-NRFANRHFSA-N 1 0 471.609 2.870 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001286432268 1060323439 /nfs/dbraw/zinc/32/34/39/1060323439.db2.gz CWNOJHJUEROABO-AHWVRZQESA-N 1 0 474.653 2.657 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001286433013 1060325128 /nfs/dbraw/zinc/32/51/28/1060325128.db2.gz HAUOOBCPQJNOJQ-BGYRXZFFSA-N 1 0 454.619 2.996 20 30 JFEDRO C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286437631 1060328809 /nfs/dbraw/zinc/32/88/09/1060328809.db2.gz PLOULTXSQMEAOW-HOFKKMOUSA-N 1 0 480.657 2.989 20 30 JFEDRO C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001286449636 1060334777 /nfs/dbraw/zinc/33/47/77/1060334777.db2.gz BGSJIWRYJUWSTG-OAQYLSRUSA-N 1 0 450.587 2.706 20 30 JFEDRO C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286450033 1060334932 /nfs/dbraw/zinc/33/49/32/1060334932.db2.gz LWRDIXYFDOTHDN-QHCPKHFHSA-N 1 0 461.614 2.683 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCOCC1 ZINC001286464228 1060352208 /nfs/dbraw/zinc/35/22/08/1060352208.db2.gz XFPPOSJAETZLJN-UHFFFAOYSA-N 1 0 476.419 2.904 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001286472687 1060370182 /nfs/dbraw/zinc/37/01/82/1060370182.db2.gz BDXALIOZBUSUDP-UHFFFAOYSA-N 1 0 452.603 2.592 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001286473014 1060372380 /nfs/dbraw/zinc/37/23/80/1060372380.db2.gz NNQCSYYVHWSSJE-GOSISDBHSA-N 1 0 457.420 2.947 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001286473170 1060373399 /nfs/dbraw/zinc/37/33/99/1060373399.db2.gz YEJREQXWJDMAST-OAQYLSRUSA-N 1 0 450.631 2.552 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001286475001 1060388485 /nfs/dbraw/zinc/38/84/85/1060388485.db2.gz UNAFKMQWZBCSON-NRFANRHFSA-N 1 0 464.570 2.613 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001286478716 1060394460 /nfs/dbraw/zinc/39/44/60/1060394460.db2.gz JVLTXKDYSFVUHL-QHCPKHFHSA-N 1 0 459.063 2.715 20 30 JFEDRO C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001286481941 1060404721 /nfs/dbraw/zinc/40/47/21/1060404721.db2.gz YVAGNHBQLDADFV-UHFFFAOYSA-N 1 0 487.693 2.878 20 30 JFEDRO C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCCC[N@H+]2CCC)CC1 ZINC001286483826 1060411267 /nfs/dbraw/zinc/41/12/67/1060411267.db2.gz ZTMBZHKGVYAXEO-HSZRJFAPSA-N 1 0 450.631 2.919 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001286484611 1060418403 /nfs/dbraw/zinc/41/84/03/1060418403.db2.gz SVVSLOOTFQFVEW-FQEVSTJZSA-N 1 0 452.534 2.647 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286485387 1060425464 /nfs/dbraw/zinc/42/54/64/1060425464.db2.gz JZZOKVMYCYCBOD-NJYVYQBISA-N 1 0 473.666 2.534 20 30 JFEDRO C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286485564 1060427490 /nfs/dbraw/zinc/42/74/90/1060427490.db2.gz PYSXNGHRNLZKRT-HXUWFJFHSA-N 1 0 454.644 2.676 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001286486520 1060436392 /nfs/dbraw/zinc/43/63/92/1060436392.db2.gz GHGRVMXXNSIZCV-UHFFFAOYSA-N 1 0 466.655 2.522 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286487286 1060442528 /nfs/dbraw/zinc/44/25/28/1060442528.db2.gz MICALCWFALOQEB-UHFFFAOYSA-N 1 0 473.625 2.905 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001286488006 1060448431 /nfs/dbraw/zinc/44/84/31/1060448431.db2.gz JUQBYJAZMGBKIR-VWLOTQADSA-N 1 0 492.668 2.633 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001286489439 1060464063 /nfs/dbraw/zinc/46/40/63/1060464063.db2.gz SINUXKSBUXGUFD-OAQYLSRUSA-N 1 0 494.640 2.803 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001286489632 1060466833 /nfs/dbraw/zinc/46/68/33/1060466833.db2.gz AGESGGVWGJGWHW-HSZRJFAPSA-N 1 0 459.598 2.552 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C[NH+](CC)CC)c2)CC1 ZINC001286490576 1060476924 /nfs/dbraw/zinc/47/69/24/1060476924.db2.gz YMRNCLKBFPMTAK-UHFFFAOYSA-N 1 0 486.624 2.591 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001286491048 1060480162 /nfs/dbraw/zinc/48/01/62/1060480162.db2.gz CHSFZMAKDFFBGD-IBGZPJMESA-N 1 0 484.595 2.845 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001286491144 1060481985 /nfs/dbraw/zinc/48/19/85/1060481985.db2.gz HAYSANCKGLYUEK-UHFFFAOYSA-N 1 0 454.644 2.780 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001286491464 1060485828 /nfs/dbraw/zinc/48/58/28/1060485828.db2.gz SOALXNYNPRUWOV-QFIPXVFZSA-N 1 0 466.605 2.848 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286493093 1060501001 /nfs/dbraw/zinc/50/10/01/1060501001.db2.gz DRLCYSRCAKTTSZ-DHIUTWEWSA-N 1 0 492.668 2.528 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286493837 1060504278 /nfs/dbraw/zinc/50/42/78/1060504278.db2.gz QIDUNGOSFQTQJM-IFMALSPDSA-N 1 0 470.662 2.648 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286493916 1060504735 /nfs/dbraw/zinc/50/47/35/1060504735.db2.gz JBSQKGIBNPAXPQ-OYRHEFFESA-N 1 0 454.663 2.955 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286494691 1060508713 /nfs/dbraw/zinc/50/87/13/1060508713.db2.gz QDQONTKPWXYRFA-LJQANCHMSA-N 1 0 483.686 2.720 20 30 JFEDRO C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286497976 1060517787 /nfs/dbraw/zinc/51/77/87/1060517787.db2.gz ZYCWKIICOUCDPI-HSZRJFAPSA-N 1 0 480.682 2.931 20 30 JFEDRO C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001286498633 1060518885 /nfs/dbraw/zinc/51/88/85/1060518885.db2.gz CAKQHEPOGRZUFY-LJQANCHMSA-N 1 0 457.600 2.587 20 30 JFEDRO C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001286498715 1060519345 /nfs/dbraw/zinc/51/93/45/1060519345.db2.gz KXBZKPAENGXMGH-UHFFFAOYSA-N 1 0 460.611 2.629 20 30 JFEDRO C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001286508092 1060537868 /nfs/dbraw/zinc/53/78/68/1060537868.db2.gz IJCJOGKEDVFAQA-NRFANRHFSA-N 1 0 469.655 2.956 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001286514428 1060549128 /nfs/dbraw/zinc/54/91/28/1060549128.db2.gz GNJAMQJPUCYRBJ-AREMUKBSSA-N 1 0 464.614 2.689 20 30 JFEDRO C=C(Br)Cn1c(C(C)C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286529952 1060561717 /nfs/dbraw/zinc/56/17/17/1060561717.db2.gz BCTOOAXMTMYWEJ-YJBOKZPZSA-N 1 0 453.429 2.689 20 30 JFEDRO C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001286545544 1060592672 /nfs/dbraw/zinc/59/26/72/1060592672.db2.gz YVHVBCRGQPFVKH-UHFFFAOYSA-N 1 0 496.479 2.533 20 30 JFEDRO C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286548116 1060600079 /nfs/dbraw/zinc/60/00/79/1060600079.db2.gz LWFKPBJQDRNKOE-ZCNNSNEGSA-N 1 0 497.482 2.515 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001286560700 1060634682 /nfs/dbraw/zinc/63/46/82/1060634682.db2.gz HWVMMBWBYXJORX-HJNYFJLDSA-N 1 0 457.623 2.597 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001286560698 1060634730 /nfs/dbraw/zinc/63/47/30/1060634730.db2.gz HWVMMBWBYXJORX-BVSLBCMMSA-N 1 0 457.623 2.597 20 30 JFEDRO C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001286578748 1060665422 /nfs/dbraw/zinc/66/54/22/1060665422.db2.gz JJBVFYCPLRBQIG-FCHUYYIVSA-N 1 0 452.603 2.637 20 30 JFEDRO C=C(C)CN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001286583393 1060673172 /nfs/dbraw/zinc/67/31/72/1060673172.db2.gz KSEVHRVFKPZXGC-GJZUVCINSA-N 1 0 468.646 2.585 20 30 JFEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286591331 1060687422 /nfs/dbraw/zinc/68/74/22/1060687422.db2.gz PYMZBJUYEJPGRB-JOCHJYFZSA-N 1 0 484.645 2.770 20 30 JFEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001286595897 1060695962 /nfs/dbraw/zinc/69/59/62/1060695962.db2.gz MGWOODHHXZRADT-XMMPIXPASA-N 1 0 468.646 2.849 20 30 JFEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286601657 1060703436 /nfs/dbraw/zinc/70/34/36/1060703436.db2.gz SBRNSBKKFFXDJS-GBXCKJPGSA-N 1 0 477.613 2.684 20 30 JFEDRO C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001286607012 1060716175 /nfs/dbraw/zinc/71/61/75/1060716175.db2.gz ALXIFWRERLUWEY-SFTDATJTSA-N 1 0 490.649 2.854 20 30 JFEDRO C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286607506 1060717225 /nfs/dbraw/zinc/71/72/25/1060717225.db2.gz QNKNZCOGJDLPJJ-RBUKOAKNSA-N 1 0 475.663 2.750 20 30 JFEDRO C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001286609317 1060720117 /nfs/dbraw/zinc/72/01/17/1060720117.db2.gz ZUDODKQABVCWGD-YADHBBJMSA-N 1 0 479.691 2.865 20 30 JFEDRO C=C(C)COCCn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286613788 1060727563 /nfs/dbraw/zinc/72/75/63/1060727563.db2.gz FTNGLCYJVBVVKF-SQJMNOBHSA-N 1 0 477.650 2.601 20 30 JFEDRO C=C(Cn1c(C(=O)NC(C)C)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC001286615549 1060729947 /nfs/dbraw/zinc/72/99/47/1060729947.db2.gz PJVGDBWCULIQAW-UHFFFAOYSA-N 1 0 476.629 2.927 20 30 JFEDRO C=C(Cn1c(COCC)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC001286618994 1060734743 /nfs/dbraw/zinc/73/47/43/1060734743.db2.gz LAUYKKPFKRUBNQ-XUZZJYLKSA-N 1 0 466.630 2.907 20 30 JFEDRO C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286620720 1060737574 /nfs/dbraw/zinc/73/75/74/1060737574.db2.gz RPMYMKANTBKPFN-UHFFFAOYSA-N 1 0 479.412 2.915 20 30 JFEDRO C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286627382 1060746879 /nfs/dbraw/zinc/74/68/79/1060746879.db2.gz ZYADXQLWHUYEQO-IIBYNOLFSA-N 1 0 458.010 2.780 20 30 JFEDRO C=C(Cl)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001286631489 1060752249 /nfs/dbraw/zinc/75/22/49/1060752249.db2.gz NGKLMBQCBIAHAN-UHFFFAOYSA-N 1 0 486.064 2.877 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286666670 1060779584 /nfs/dbraw/zinc/77/95/84/1060779584.db2.gz CVWDOUUJNXWENW-ROUUACIJSA-N 1 0 452.669 2.801 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286673041 1060787669 /nfs/dbraw/zinc/78/76/69/1060787669.db2.gz SZGYZGHELPLLHJ-CEMLEFRQSA-N 1 0 458.651 2.763 20 30 JFEDRO C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286689465 1060802524 /nfs/dbraw/zinc/80/25/24/1060802524.db2.gz QYLKWYCCJXUWPR-FQEVSTJZSA-N 1 0 457.648 2.733 20 30 JFEDRO C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286689466 1060802620 /nfs/dbraw/zinc/80/26/20/1060802620.db2.gz QYLKWYCCJXUWPR-HXUWFJFHSA-N 1 0 457.648 2.733 20 30 JFEDRO C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286692178 1060803914 /nfs/dbraw/zinc/80/39/14/1060803914.db2.gz COYNUCXJTAFULL-SLFFLAALSA-N 1 0 452.669 2.945 20 30 JFEDRO C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001286701383 1060813895 /nfs/dbraw/zinc/81/38/95/1060813895.db2.gz YQTQRQNHEURAGB-JOCHJYFZSA-N 1 0 468.602 2.747 20 30 JFEDRO C=CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001286703791 1060816942 /nfs/dbraw/zinc/81/69/42/1060816942.db2.gz ROWAQRYLROWKQR-UHFFFAOYSA-N 1 0 479.673 2.914 20 30 JFEDRO C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001286709745 1060828106 /nfs/dbraw/zinc/82/81/06/1060828106.db2.gz CUIGDNZRKBZSBW-NRFANRHFSA-N 1 0 456.566 2.673 20 30 JFEDRO C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286709947 1060828259 /nfs/dbraw/zinc/82/82/59/1060828259.db2.gz IYZIKMNLYJIQEM-UHFFFAOYSA-N 1 0 465.602 2.705 20 30 JFEDRO C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001286712273 1060834063 /nfs/dbraw/zinc/83/40/63/1060834063.db2.gz VFNMXQRVIDQGPM-YADHBBJMSA-N 1 0 479.691 2.865 20 30 JFEDRO C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCC(O)CC1 ZINC001286722006 1060845167 /nfs/dbraw/zinc/84/51/67/1060845167.db2.gz AQEPTOSJYXXMAH-UHFFFAOYSA-N 1 0 465.602 2.705 20 30 JFEDRO C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCC(O)CC1)C1CC1 ZINC001286736885 1060855064 /nfs/dbraw/zinc/85/50/64/1060855064.db2.gz JAGDWNCEKVYPMD-OAQYLSRUSA-N 1 0 490.649 2.588 20 30 JFEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286741083 1060862058 /nfs/dbraw/zinc/86/20/58/1060862058.db2.gz CFXAHVWNKUGLAF-GBXCKJPGSA-N 1 0 465.627 2.731 20 30 JFEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286741085 1060862105 /nfs/dbraw/zinc/86/21/05/1060862105.db2.gz CFXAHVWNKUGLAF-RDPSFJRHSA-N 1 0 465.627 2.731 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C ZINC001286751488 1060879115 /nfs/dbraw/zinc/87/91/15/1060879115.db2.gz QOAFEUQSRHQVQD-NJDAHSKKSA-N 1 0 458.607 2.512 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C ZINC001286752028 1060880765 /nfs/dbraw/zinc/88/07/65/1060880765.db2.gz VYQHRDCVPIYXEG-HXUWFJFHSA-N 1 0 469.634 2.765 20 30 JFEDRO C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001286765948 1060893562 /nfs/dbraw/zinc/89/35/62/1060893562.db2.gz LGHYMGYOYAUZHQ-NRFANRHFSA-N 1 0 464.408 2.721 20 30 JFEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001286776615 1060912679 /nfs/dbraw/zinc/91/26/79/1060912679.db2.gz MRDGQUHJAKOBAO-IBGZPJMESA-N 1 0 450.509 2.596 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001286781993 1060927939 /nfs/dbraw/zinc/92/79/39/1060927939.db2.gz GXTCACKKHMBJMG-QUCCMNQESA-N 1 0 486.686 2.981 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286782087 1060928028 /nfs/dbraw/zinc/92/80/28/1060928028.db2.gz JZTNTNPDZKTPJE-UONOGXRCSA-N 1 0 467.437 2.990 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001286782259 1060928437 /nfs/dbraw/zinc/92/84/37/1060928437.db2.gz PIXPVAXLJAXGIZ-UHFFFAOYSA-N 1 0 452.603 2.958 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286783091 1060932009 /nfs/dbraw/zinc/93/20/09/1060932009.db2.gz GOZCAALILLZCDN-UHFFFAOYSA-N 1 0 491.434 2.939 20 30 JFEDRO C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001286797294 1060975632 /nfs/dbraw/zinc/97/56/32/1060975632.db2.gz VAXIGESRLWSSET-WOJBJXKFSA-N 1 0 452.603 2.933 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001286802855 1060988260 /nfs/dbraw/zinc/98/82/60/1060988260.db2.gz DTQMHBIKRVOPNI-IBGZPJMESA-N 1 0 489.690 2.916 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001286802859 1060989018 /nfs/dbraw/zinc/98/90/18/1060989018.db2.gz DTQMHBIKRVOPNI-LJQANCHMSA-N 1 0 489.690 2.916 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001286810630 1061001878 /nfs/dbraw/zinc/00/18/78/1061001878.db2.gz UDVDPOGEKSNBHZ-PZJWPPBQSA-N 1 0 465.664 2.616 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001286813263 1061007136 /nfs/dbraw/zinc/00/71/36/1061007136.db2.gz YUCYLRDHWWEYAH-KCZVDYSFSA-N 1 0 454.619 2.933 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001286815911 1061021615 /nfs/dbraw/zinc/02/16/15/1061021615.db2.gz CFZHXQZLSVQGPA-UHFFFAOYSA-N 1 0 456.616 2.728 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286818948 1061039237 /nfs/dbraw/zinc/03/92/37/1061039237.db2.gz UNIMITYFGDVVNL-HXUWFJFHSA-N 1 0 487.674 2.817 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001286823691 1061064373 /nfs/dbraw/zinc/06/43/73/1061064373.db2.gz XVOQHKVPGZKHJK-FQEVSTJZSA-N 1 0 457.644 2.932 20 30 JFEDRO C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286828424 1061076142 /nfs/dbraw/zinc/07/61/42/1061076142.db2.gz MSGBKFFREZVCEI-DENIHFKCSA-N 1 0 469.659 2.638 20 30 JFEDRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001286871460 1061272666 /nfs/dbraw/zinc/27/26/66/1061272666.db2.gz OOUAKIYPFSLHOL-SQJMNOBHSA-N 1 0 493.656 2.748 20 30 JFEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001286902260 1061396566 /nfs/dbraw/zinc/39/65/66/1061396566.db2.gz MDRWIUHHCGBWEC-KXTRFFEISA-N 1 0 479.629 2.547 20 30 JFEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001286903969 1061406791 /nfs/dbraw/zinc/40/67/91/1061406791.db2.gz NQWVMSKKFZAXNU-UHFFFAOYSA-N 1 0 493.656 2.936 20 30 JFEDRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001286913296 1061474213 /nfs/dbraw/zinc/47/42/13/1061474213.db2.gz UWJIOEYQVPBMGB-JOCHJYFZSA-N 1 0 465.602 2.710 20 30 JFEDRO CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286919680 1061510886 /nfs/dbraw/zinc/51/08/86/1061510886.db2.gz KRAIQCVXOSPXFD-JOCHJYFZSA-N 1 0 467.618 2.810 20 30 JFEDRO Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001289879539 1061564981 /nfs/dbraw/zinc/56/49/81/1061564981.db2.gz SJUZVTFEWOEFQO-NHCUHLMSSA-N 1 0 470.643 2.845 20 30 JFEDRO C#CC[C@@]1(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001289899202 1061585076 /nfs/dbraw/zinc/58/50/76/1061585076.db2.gz WOCCUBANYOTJIW-SANMLTNESA-N 1 0 454.615 2.890 20 30 JFEDRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001286943271 1061601193 /nfs/dbraw/zinc/60/11/93/1061601193.db2.gz ZRRAGLOQFJQLQP-UPVQGACJSA-N 1 0 479.629 2.526 20 30 JFEDRO CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286954176 1061703840 /nfs/dbraw/zinc/70/38/40/1061703840.db2.gz HKRLUSMPSSZYAU-IBGZPJMESA-N 1 0 465.602 2.566 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001286960827 1061734070 /nfs/dbraw/zinc/73/40/70/1061734070.db2.gz JHWNVDKEVUNKIE-CABCVRRESA-N 1 0 450.385 2.600 20 30 JFEDRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001294226114 1061738233 /nfs/dbraw/zinc/73/82/33/1061738233.db2.gz OGCVUYJDZSYGDJ-FQEVSTJZSA-N 1 0 455.582 2.851 20 30 JFEDRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001294226115 1061738313 /nfs/dbraw/zinc/73/83/13/1061738313.db2.gz OGCVUYJDZSYGDJ-HXUWFJFHSA-N 1 0 455.582 2.851 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCC[NH+](C)C ZINC001286966965 1061742066 /nfs/dbraw/zinc/74/20/66/1061742066.db2.gz BYPRDEWZONSRIC-GOSISDBHSA-N 1 0 463.627 2.567 20 30 JFEDRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 ZINC001286967730 1061742565 /nfs/dbraw/zinc/74/25/65/1061742565.db2.gz FZUHUDZYCRPAIQ-QWFCFKBJSA-N 1 0 458.632 2.905 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001286967729 1061742602 /nfs/dbraw/zinc/74/26/02/1061742602.db2.gz FZUHUDZYCRPAIQ-HBFSDRIKSA-N 1 0 458.632 2.905 20 30 JFEDRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)c1ccccc1 ZINC001286967728 1061742680 /nfs/dbraw/zinc/74/26/80/1061742680.db2.gz FZUHUDZYCRPAIQ-GGPKGHCWSA-N 1 0 458.632 2.905 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286968396 1061744110 /nfs/dbraw/zinc/74/41/10/1061744110.db2.gz LFNWOKWCTYLCOC-UXHICEINSA-N 1 0 451.623 2.780 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1nccs1 ZINC001286969180 1061745480 /nfs/dbraw/zinc/74/54/80/1061745480.db2.gz FEAGLUOYIMSCEJ-IBGZPJMESA-N 1 0 450.616 2.743 20 30 JFEDRO CC(C)(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286986954 1061867213 /nfs/dbraw/zinc/86/72/13/1061867213.db2.gz YOQCUCQJTBMQSP-QFIPXVFZSA-N 1 0 479.629 2.528 20 30 JFEDRO Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290158440 1061900180 /nfs/dbraw/zinc/90/01/80/1061900180.db2.gz KHHYYOSWGWZAMZ-HSZRJFAPSA-N 1 0 463.630 2.860 20 30 JFEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 ZINC001294461217 1062010602 /nfs/dbraw/zinc/01/06/02/1062010602.db2.gz UOEWWUUEDQATRR-HXUWFJFHSA-N 1 0 451.575 2.827 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 ZINC001294505535 1062041565 /nfs/dbraw/zinc/04/15/65/1062041565.db2.gz ANCNEEHXBABVIV-MRXNPFEDSA-N 1 0 450.385 2.507 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294522495 1062057708 /nfs/dbraw/zinc/05/77/08/1062057708.db2.gz DBEVVLREGLRXMZ-UHFFFAOYSA-N 1 0 458.632 2.952 20 30 JFEDRO CCC[N@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001294522873 1062058640 /nfs/dbraw/zinc/05/86/40/1062058640.db2.gz OXTUQPVLWJZJEC-UHFFFAOYSA-N 1 0 459.602 2.589 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294523961 1062060995 /nfs/dbraw/zinc/06/09/95/1062060995.db2.gz JDICCGYBLRFEEL-QFIPXVFZSA-N 1 0 492.672 2.682 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001294641929 1062163754 /nfs/dbraw/zinc/16/37/54/1062163754.db2.gz QRCPVOVQHNNAFY-DOTOQJQBSA-N 1 0 462.396 2.507 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001294641936 1062163864 /nfs/dbraw/zinc/16/38/64/1062163864.db2.gz QRCPVOVQHNNAFY-WBVHZDCISA-N 1 0 462.396 2.507 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294649181 1062191133 /nfs/dbraw/zinc/19/11/33/1062191133.db2.gz YXLMNHFURDNZQE-IFMALSPDSA-N 1 0 470.643 2.952 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001287158727 1062552919 /nfs/dbraw/zinc/55/29/19/1062552919.db2.gz UXMHTEZQOUKZSD-SFTDATJTSA-N 1 0 456.616 2.560 20 30 JFEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001287321553 1062798672 /nfs/dbraw/zinc/79/86/72/1062798672.db2.gz JCOQPDKXEICQKC-LADGPHEKSA-N 1 0 465.646 2.952 20 30 JFEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1)[NH+](C)C ZINC001287328299 1062802284 /nfs/dbraw/zinc/80/22/84/1062802284.db2.gz GBVQDAAFKGQGCD-QFIPXVFZSA-N 1 0 459.602 2.910 20 30 JFEDRO CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)[NH+](C)C ZINC001287338930 1062816188 /nfs/dbraw/zinc/81/61/88/1062816188.db2.gz POAYZSASAVXGII-NRFANRHFSA-N 1 0 465.602 2.516 20 30 JFEDRO Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001290952465 1062827944 /nfs/dbraw/zinc/82/79/44/1062827944.db2.gz KIEWVRFDOCYOMM-UHFFFAOYSA-N 1 0 464.574 2.688 20 30 JFEDRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001290985535 1062871343 /nfs/dbraw/zinc/87/13/43/1062871343.db2.gz ITUPBIBQBFUNCH-CVDCTZTESA-N 1 0 479.629 2.906 20 30 JFEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 ZINC001287456666 1062894078 /nfs/dbraw/zinc/89/40/78/1062894078.db2.gz HSLQCXODEUCYHJ-HSZRJFAPSA-N 1 0 452.603 2.866 20 30 JFEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](CC4CCCC4)CC3)CC2)cc1 ZINC001295107913 1062933019 /nfs/dbraw/zinc/93/30/19/1062933019.db2.gz JELMJMIYIYJCQP-UHFFFAOYSA-N 1 0 458.628 2.730 20 30 JFEDRO CC(C)Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287482677 1062939709 /nfs/dbraw/zinc/93/97/09/1062939709.db2.gz XNYAQPYXOVHOOS-QURGRASLSA-N 1 0 457.623 2.561 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295165136 1062988168 /nfs/dbraw/zinc/98/81/68/1062988168.db2.gz MYAMCHLRKDFHAS-NRFANRHFSA-N 1 0 456.616 2.706 20 30 JFEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175129 1062998723 /nfs/dbraw/zinc/99/87/23/1062998723.db2.gz UPXPAENXYBQMDM-SFTDATJTSA-N 1 0 470.643 2.951 20 30 JFEDRO CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001287599075 1062999342 /nfs/dbraw/zinc/99/93/42/1062999342.db2.gz SIFXMAHDCSFABJ-OAQYLSRUSA-N 1 0 478.439 2.879 20 30 JFEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCN1S(C)(=O)=O ZINC001291098236 1063061639 /nfs/dbraw/zinc/06/16/39/1063061639.db2.gz KFLIJCBYPWQUDM-PMACEKPBSA-N 1 0 485.658 2.551 20 30 JFEDRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001291099921 1063066760 /nfs/dbraw/zinc/06/67/60/1063066760.db2.gz PGMNOPPUHVQPSF-WOJBJXKFSA-N 1 0 465.602 2.660 20 30 JFEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001291103621 1063081328 /nfs/dbraw/zinc/08/13/28/1063081328.db2.gz IBCGFXUBJDLEBT-BCHFMIIMSA-N 1 0 479.629 2.941 20 30 JFEDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001287761155 1063086658 /nfs/dbraw/zinc/08/66/58/1063086658.db2.gz QRWQQIBTGREAPZ-UHFFFAOYSA-N 1 0 451.619 2.706 20 30 JFEDRO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295305849 1063168054 /nfs/dbraw/zinc/16/80/54/1063168054.db2.gz MZYKGDFXQOMLCG-HHHXNRCGSA-N 1 0 493.656 2.748 20 30 JFEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001291137394 1063195553 /nfs/dbraw/zinc/19/55/53/1063195553.db2.gz PXPBVXRATLDNGN-FQEVSTJZSA-N 1 0 451.619 2.848 20 30 JFEDRO CC1CC[NH+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001291181522 1063275291 /nfs/dbraw/zinc/27/52/91/1063275291.db2.gz KBEUOKIATYYPPF-UHFFFAOYSA-N 1 0 465.602 2.519 20 30 JFEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 ZINC001291188343 1063303404 /nfs/dbraw/zinc/30/34/04/1063303404.db2.gz IMZZSPWLGYVBEB-SJBKTWHCSA-N 1 0 468.602 2.516 20 30 JFEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C[C@H](C)O1 ZINC001291188556 1063304638 /nfs/dbraw/zinc/30/46/38/1063304638.db2.gz MGZVCWSJROTWOM-SAHWJRBASA-N 1 0 489.621 2.599 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295358991 1063317223 /nfs/dbraw/zinc/31/72/23/1063317223.db2.gz SUJXGHKGANBAMT-PGRDOPGGSA-N 1 0 499.063 2.768 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295360761 1063321836 /nfs/dbraw/zinc/32/18/36/1063321836.db2.gz GTCRWGDDUMAKOU-APWZRJJASA-N 1 0 489.466 2.953 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001295373807 1063341924 /nfs/dbraw/zinc/34/19/24/1063341924.db2.gz SFKOOSIANFKYOQ-LJQANCHMSA-N 1 0 476.633 2.619 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001295373805 1063342027 /nfs/dbraw/zinc/34/20/27/1063342027.db2.gz SFKOOSIANFKYOQ-IBGZPJMESA-N 1 0 476.633 2.619 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001295386634 1063362736 /nfs/dbraw/zinc/36/27/36/1063362736.db2.gz VGMFIYCZJXKCAK-CVDCTZTESA-N 1 0 478.601 2.770 20 30 JFEDRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccsc1 ZINC001295390974 1063372204 /nfs/dbraw/zinc/37/22/04/1063372204.db2.gz CKNQRLMOODPNJO-RTWAWAEBSA-N 1 0 484.674 2.737 20 30 JFEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC[NH+](C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291218524 1063443189 /nfs/dbraw/zinc/44/31/89/1063443189.db2.gz VCDONWJPYDDUCS-GHTZIAJQSA-N 1 0 483.617 2.744 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001295481850 1063494966 /nfs/dbraw/zinc/49/49/66/1063494966.db2.gz BHMGCIHVBZPYOC-IFMALSPDSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 ZINC001295503626 1063539046 /nfs/dbraw/zinc/53/90/46/1063539046.db2.gz NXHPDJNVWCDWHN-DEOSSOPVSA-N 1 0 453.566 2.733 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001295530871 1063567778 /nfs/dbraw/zinc/56/77/78/1063567778.db2.gz PTALBUDHSPPPRK-UHFFFAOYSA-N 1 0 489.628 2.982 20 30 JFEDRO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001291279133 1063598338 /nfs/dbraw/zinc/59/83/38/1063598338.db2.gz IXTKJEFZQRKCCQ-QFBILLFUSA-N 1 0 464.492 2.981 20 30 JFEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001291279134 1063598462 /nfs/dbraw/zinc/59/84/62/1063598462.db2.gz IXTKJEFZQRKCCQ-VQIMIIECSA-N 1 0 464.492 2.981 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001295569081 1063603309 /nfs/dbraw/zinc/60/33/09/1063603309.db2.gz PQAXXVNIWLGIOV-HXUWFJFHSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001295569614 1063604206 /nfs/dbraw/zinc/60/42/06/1063604206.db2.gz HBFOZWPXLJBOKS-LJQANCHMSA-N 1 0 499.063 2.982 20 30 JFEDRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CCCO1 ZINC001291290391 1063663762 /nfs/dbraw/zinc/66/37/62/1063663762.db2.gz ZKGYFBFRGDBRQP-LJQANCHMSA-N 1 0 486.642 2.589 20 30 JFEDRO CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295646486 1063688351 /nfs/dbraw/zinc/68/83/51/1063688351.db2.gz LNTLIRDRVGVRAQ-QHCPKHFHSA-N 1 0 452.584 2.883 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1)C1CC1 ZINC001295828408 1063838571 /nfs/dbraw/zinc/83/85/71/1063838571.db2.gz YGKKQPVQUUWUQR-CQSZACIVSA-N 1 0 451.394 2.982 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 ZINC001295828392 1063838643 /nfs/dbraw/zinc/83/86/43/1063838643.db2.gz YGKKQPVQUUWUQR-AWEZNQCLSA-N 1 0 451.394 2.982 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C ZINC001295833984 1063849401 /nfs/dbraw/zinc/84/94/01/1063849401.db2.gz LWWDMRQSCMXYMW-HXUWFJFHSA-N 1 0 484.612 2.924 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001295835000 1063851140 /nfs/dbraw/zinc/85/11/40/1063851140.db2.gz ZQAQFACGPWQVIH-JOCHJYFZSA-N 1 0 492.672 2.680 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001295877751 1063919259 /nfs/dbraw/zinc/91/92/59/1063919259.db2.gz KLYNUEIMSMJJTH-OAQYLSRUSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001291388730 1063937844 /nfs/dbraw/zinc/93/78/44/1063937844.db2.gz BRRCOKAIMMYOKH-OWHZGTRUSA-N 1 0 452.603 2.772 20 30 JFEDRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291390468 1063941295 /nfs/dbraw/zinc/94/12/95/1063941295.db2.gz XWYNHBDVGSGKLD-RXFWQSSRSA-N 1 0 481.645 2.604 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001296012110 1064072497 /nfs/dbraw/zinc/07/24/97/1064072497.db2.gz RKAGMDZJEWFZJU-WFHKKQPCSA-N 1 0 493.612 2.611 20 30 JFEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296012439 1064073214 /nfs/dbraw/zinc/07/32/14/1064073214.db2.gz STACESSPSHKDIY-RTBURBONSA-N 1 0 467.618 2.810 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291568422 1064095916 /nfs/dbraw/zinc/09/59/16/1064095916.db2.gz BMVHJIOTSUDJKP-NRFANRHFSA-N 1 0 479.629 2.624 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291610883 1064148714 /nfs/dbraw/zinc/14/87/14/1064148714.db2.gz RHGBTWPHNOLMJS-QPPBQGQZSA-N 1 0 492.672 2.933 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296087953 1064157308 /nfs/dbraw/zinc/15/73/08/1064157308.db2.gz PIQBDKQVOHLOAG-FCHUYYIVSA-N 1 0 465.602 2.628 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296127646 1064221930 /nfs/dbraw/zinc/22/19/30/1064221930.db2.gz WICJTGYHJCIBGG-VQTJNVASSA-N 1 0 451.619 2.846 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296130318 1064223759 /nfs/dbraw/zinc/22/37/59/1064223759.db2.gz CQUBBZQFSGVPSA-OAQYLSRUSA-N 1 0 458.614 2.798 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296133584 1064234077 /nfs/dbraw/zinc/23/40/77/1064234077.db2.gz JBSLSKCXCLEYCJ-LJQANCHMSA-N 1 0 455.582 2.762 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296133917 1064234963 /nfs/dbraw/zinc/23/49/63/1064234963.db2.gz LGIQPNRSAOVAHO-OAQYLSRUSA-N 1 0 476.629 2.885 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001291768794 1064251198 /nfs/dbraw/zinc/25/11/98/1064251198.db2.gz ZWZHOEVTNNFROH-JXFKEZNVSA-N 1 0 450.547 2.816 20 30 JFEDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(C)C)C2)CC1 ZINC001296179337 1064308690 /nfs/dbraw/zinc/30/86/90/1064308690.db2.gz FKOZNSPFLGCJLQ-HSZRJFAPSA-N 1 0 451.619 2.848 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296190360 1064337776 /nfs/dbraw/zinc/33/77/76/1064337776.db2.gz CKGJMPCCHVMDBF-UUOWRZLLSA-N 1 0 475.563 2.863 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190357 1064337939 /nfs/dbraw/zinc/33/79/39/1064337939.db2.gz CKGJMPCCHVMDBF-HOYKHHGWSA-N 1 0 475.563 2.863 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296196394 1064366469 /nfs/dbraw/zinc/36/64/69/1064366469.db2.gz SVCQEFYQZBREHP-FCHUYYIVSA-N 1 0 483.686 2.881 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296196395 1064366611 /nfs/dbraw/zinc/36/66/11/1064366611.db2.gz SVCQEFYQZBREHP-FGZHOGPDSA-N 1 0 483.686 2.881 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296196627 1064368735 /nfs/dbraw/zinc/36/87/35/1064368735.db2.gz VMDJKDIKMBZKRF-YZUZCNPQSA-N 1 0 465.646 2.952 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296196623 1064368767 /nfs/dbraw/zinc/36/87/67/1064368767.db2.gz VMDJKDIKMBZKRF-HFMPRLQTSA-N 1 0 465.646 2.952 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296196621 1064368892 /nfs/dbraw/zinc/36/88/92/1064368892.db2.gz VMDJKDIKMBZKRF-AWRGLXIESA-N 1 0 465.646 2.952 20 30 JFEDRO CCN1CC[NH+](CCCCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001296203018 1064380649 /nfs/dbraw/zinc/38/06/49/1064380649.db2.gz KIEOZQZFZGZSLM-OFNKIYASSA-N 1 0 467.618 2.804 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296206456 1064396422 /nfs/dbraw/zinc/39/64/22/1064396422.db2.gz RLOQQZBXRPAZLU-RUZDIDTESA-N 1 0 451.619 2.850 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001296206908 1064397139 /nfs/dbraw/zinc/39/71/39/1064397139.db2.gz VGKGEHXPDHYHKO-JOCHJYFZSA-N 1 0 451.619 2.706 20 30 JFEDRO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCN(CC)CC1 ZINC001296207359 1064397868 /nfs/dbraw/zinc/39/78/68/1064397868.db2.gz YCCIBFGIYYUXLI-HSZRJFAPSA-N 1 0 451.619 2.850 20 30 JFEDRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCN(CC)CC1 ZINC001296207360 1064397990 /nfs/dbraw/zinc/39/79/90/1064397990.db2.gz YCCIBFGIYYUXLI-QHCPKHFHSA-N 1 0 451.619 2.850 20 30 JFEDRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001291973041 1064587640 /nfs/dbraw/zinc/58/76/40/1064587640.db2.gz DYEZVNIANJMPNF-URXFXBBRSA-N 1 0 472.613 2.719 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001296307321 1064587890 /nfs/dbraw/zinc/58/78/90/1064587890.db2.gz FLVHIPZUKSGOAN-UHFFFAOYSA-N 1 0 464.618 2.933 20 30 JFEDRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001291973043 1064588021 /nfs/dbraw/zinc/58/80/21/1064588021.db2.gz DYEZVNIANJMPNF-ZJSXRUAMSA-N 1 0 472.613 2.719 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001296307435 1064588162 /nfs/dbraw/zinc/58/81/62/1064588162.db2.gz HXKMOBHQXQYEJW-OAQYLSRUSA-N 1 0 452.607 2.645 20 30 JFEDRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001296330025 1064629144 /nfs/dbraw/zinc/62/91/44/1064629144.db2.gz OROYPIYMXCVLCL-UXHICEINSA-N 1 0 499.666 2.699 20 30 JFEDRO CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001292077876 1064760423 /nfs/dbraw/zinc/76/04/23/1064760423.db2.gz VMQNOVCLWJXAHS-DENIHFKCSA-N 1 0 454.571 2.573 20 30 JFEDRO CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001292276788 1065053347 /nfs/dbraw/zinc/05/33/47/1065053347.db2.gz UPEOMFASFWMBQB-RDPSFJRHSA-N 1 0 493.656 2.747 20 30 JFEDRO CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001292761102 1065517434 /nfs/dbraw/zinc/51/74/34/1065517434.db2.gz TYOYBBYDTYGYCR-IBGZPJMESA-N 1 0 476.629 2.880 20 30 JFEDRO C#CCNS(=O)(=O)c1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC001293045244 1065709852 /nfs/dbraw/zinc/70/98/52/1065709852.db2.gz FJYLDBCTXCMHND-UHFFFAOYSA-N 1 0 459.999 2.990 20 30 JFEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001293362068 1065965995 /nfs/dbraw/zinc/96/59/95/1065965995.db2.gz CRNOMTYTYMSQIM-FQEVSTJZSA-N 1 0 453.639 2.906 20 30 JFEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001293366246 1065971613 /nfs/dbraw/zinc/97/16/13/1065971613.db2.gz SFFDXBSVRVHCJA-HSZRJFAPSA-N 1 0 499.685 2.989 20 30 JFEDRO CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001293834488 1066339078 /nfs/dbraw/zinc/33/90/78/1066339078.db2.gz JIVFOLKHVVJSPC-RXFWQSSRSA-N 1 0 482.629 2.969 20 30 JFEDRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001293853058 1066359278 /nfs/dbraw/zinc/35/92/78/1066359278.db2.gz SKPOHEOVQMJCHB-OFNKIYASSA-N 1 0 479.629 2.670 20 30 JFEDRO CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001293866929 1066379166 /nfs/dbraw/zinc/37/91/66/1066379166.db2.gz IYYUQTQEZBEAIY-IFMALSPDSA-N 1 0 479.629 2.956 20 30 JFEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)OC)CC2)CC1 ZINC001164618054 719032103 /nfs/dbraw/zinc/03/21/03/719032103.db2.gz RMQBKSNXYDDTAB-LJQANCHMSA-N 1 0 465.554 2.654 20 30 JFEDRO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)n1 ZINC001164663029 719358797 /nfs/dbraw/zinc/35/87/97/719358797.db2.gz BYADSIYVZHIEQR-AREMUKBSSA-N 1 0 462.598 2.946 20 30 JFEDRO Cc1c(Cl)c(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1C#N ZINC001164714690 720172338 /nfs/dbraw/zinc/17/23/38/720172338.db2.gz RNLGOOXXKTXQOF-MRXNPFEDSA-N 1 0 450.374 2.913 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825282 720307537 /nfs/dbraw/zinc/30/75/37/720307537.db2.gz SZHWQXCYMORFHY-RBUKOAKNSA-N 1 0 459.978 2.695 20 30 JFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC1 ZINC001164830342 720330969 /nfs/dbraw/zinc/33/09/69/720330969.db2.gz PTAJTFSTRCUILP-LEWJYISDSA-N 1 0 452.603 2.849 20 30 JFEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1F ZINC001164738960 720705287 /nfs/dbraw/zinc/70/52/87/720705287.db2.gz LPXUJVUPUYLEKX-HOTGVXAUSA-N 1 0 451.893 2.940 20 30 JFEDRO COC(=O)c1cc(C#N)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750561 720931759 /nfs/dbraw/zinc/93/17/59/720931759.db2.gz JUKXVUYJKSIJRH-NVQXNPDNSA-N 1 0 461.566 2.890 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772778 721164295 /nfs/dbraw/zinc/16/42/95/721164295.db2.gz WSZUSLIGHMSNGY-LEWJYISDSA-N 1 0 451.647 2.789 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164772780 721165197 /nfs/dbraw/zinc/16/51/97/721165197.db2.gz WSZUSLIGHMSNGY-RTWAWAEBSA-N 1 0 451.647 2.789 20 30 JFEDRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(C#N)o2)c1 ZINC001264226740 1059542304 /nfs/dbraw/zinc/54/23/04/1059542304.db2.gz RCWAEWNLXXBXMK-UHFFFAOYSA-N 1 0 459.572 2.576 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCN1CC[NH+](CC)CC1 ZINC001286288504 1060045442 /nfs/dbraw/zinc/04/54/42/1060045442.db2.gz HHHKPXMDDKEAIO-NRFANRHFSA-N 1 0 490.656 2.721 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001286300811 1060052929 /nfs/dbraw/zinc/05/29/29/1060052929.db2.gz XUGIEBWHOAWBEM-VGSWGCGISA-N 1 0 450.612 2.707 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001286308992 1060062638 /nfs/dbraw/zinc/06/26/38/1060062638.db2.gz NEACXZLUJHCPGQ-JOCHJYFZSA-N 1 0 466.630 2.989 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001286309544 1060064074 /nfs/dbraw/zinc/06/40/74/1060064074.db2.gz MRZASVSXODSRGJ-LEWJYISDSA-N 1 0 491.621 2.650 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001286309547 1060064147 /nfs/dbraw/zinc/06/41/47/1060064147.db2.gz MRZASVSXODSRGJ-RTWAWAEBSA-N 1 0 491.621 2.650 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001286310740 1060068415 /nfs/dbraw/zinc/06/84/15/1060068415.db2.gz GPTJHGKMFIDMMC-CTNGQTDRSA-N 1 0 450.587 2.570 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001286310956 1060069080 /nfs/dbraw/zinc/06/90/80/1060069080.db2.gz ILJQQGYHQSIKIV-FQEVSTJZSA-N 1 0 457.582 2.804 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCC[N@H+]2CC)c1 ZINC001286311658 1060071227 /nfs/dbraw/zinc/07/12/27/1060071227.db2.gz LUAQJYMCKSZDKN-RSEQLOHWSA-N 1 0 494.640 2.933 20 30 JFEDRO C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001286314838 1060075809 /nfs/dbraw/zinc/07/58/09/1060075809.db2.gz HQMIPEMYHZTHPW-QGZVFWFLSA-N 1 0 461.408 2.998 20 30 JFEDRO C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286314944 1060076513 /nfs/dbraw/zinc/07/65/13/1060076513.db2.gz JMUPFJLLALXMFM-QFIPXVFZSA-N 1 0 466.630 2.982 20 30 JFEDRO C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001286323136 1060081824 /nfs/dbraw/zinc/08/18/24/1060081824.db2.gz ISPUYFNFOMVCBW-UXHICEINSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCCCCn1c(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286334188 1060087511 /nfs/dbraw/zinc/08/75/11/1060087511.db2.gz FWOSNRAVOAKXLD-JYFHCDHNSA-N 1 0 472.678 2.727 20 30 JFEDRO C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001286362727 1060123150 /nfs/dbraw/zinc/12/31/50/1060123150.db2.gz FAJNRJOZSWOOMT-RDGATRHJSA-N 1 0 453.587 2.845 20 30 JFEDRO C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCC[NH+]1CCC(O)CC1 ZINC001286364595 1060127946 /nfs/dbraw/zinc/12/79/46/1060127946.db2.gz FUVDXRQMKJWIDM-UHFFFAOYSA-N 1 0 450.356 2.763 20 30 JFEDRO C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCC[N@H+]1CCC ZINC001286365520 1060129086 /nfs/dbraw/zinc/12/90/86/1060129086.db2.gz CITYZFMRZYODQU-HXUWFJFHSA-N 1 0 458.632 2.529 20 30 JFEDRO C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001286376535 1060139321 /nfs/dbraw/zinc/13/93/21/1060139321.db2.gz LQFJQOJFCMDFGL-QFIPXVFZSA-N 1 0 498.628 2.645 20 30 JFEDRO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001286378699 1060142058 /nfs/dbraw/zinc/14/20/58/1060142058.db2.gz WZFCHZFKLWEOMA-LJQANCHMSA-N 1 0 489.462 2.963 20 30 JFEDRO C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001286379283 1060143293 /nfs/dbraw/zinc/14/32/93/1060143293.db2.gz MKZQSTIMMXCWQS-VWLOTQADSA-N 1 0 464.639 2.681 20 30 JFEDRO C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286380402 1060148303 /nfs/dbraw/zinc/14/83/03/1060148303.db2.gz BZUMDJYRPZZVEC-OAQYLSRUSA-N 1 0 488.614 2.599 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286384209 1060168506 /nfs/dbraw/zinc/16/85/06/1060168506.db2.gz QCWRATAZRNSOFF-SFHVURJKSA-N 1 0 495.596 2.761 20 30 JFEDRO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[N@@H+]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286384950 1060172350 /nfs/dbraw/zinc/17/23/50/1060172350.db2.gz KVNCJBFHWMRKID-AKIFATBCSA-N 1 0 469.655 2.931 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387639 1060202707 /nfs/dbraw/zinc/20/27/07/1060202707.db2.gz HKUIICRJUXSLDW-IRLDBZIGSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cccn2C)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286387731 1060203942 /nfs/dbraw/zinc/20/39/42/1060203942.db2.gz USVLHLXNNRTAIR-VSKRKVRLSA-N 1 0 486.686 2.668 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC[N@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387967 1060204982 /nfs/dbraw/zinc/20/49/82/1060204982.db2.gz JGTPUDYNKWFTIY-QFIPXVFZSA-N 1 0 457.644 2.865 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC[N@@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388220 1060208486 /nfs/dbraw/zinc/20/84/86/1060208486.db2.gz MEKKEDHDXUSDAA-JTHBVZDNSA-N 1 0 469.655 2.866 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388526 1060211882 /nfs/dbraw/zinc/21/18/82/1060211882.db2.gz QQNOFYHIBHNDKB-DENIHFKCSA-N 1 0 481.622 2.994 20 30 JFEDRO C#CCN(c1nnc(C2CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286389277 1060219761 /nfs/dbraw/zinc/21/97/61/1060219761.db2.gz HEBIKZRXVJEILG-KNQAVFIVSA-N 1 0 455.628 2.693 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286390364 1060224807 /nfs/dbraw/zinc/22/48/07/1060224807.db2.gz AMMGLIDUWLXZIA-AOHZBQACSA-N 1 0 483.682 2.810 20 30 JFEDRO C#CCN(c1nnc(CC2CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286390510 1060225936 /nfs/dbraw/zinc/22/59/36/1060225936.db2.gz BMDSSQXLDMJSHR-DENIHFKCSA-N 1 0 469.655 2.987 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286390704 1060226844 /nfs/dbraw/zinc/22/68/44/1060226844.db2.gz BDWBDCUGGQNFTI-BDTNDASRSA-N 1 0 477.675 2.657 20 30 JFEDRO C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+](C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286390678 1060227035 /nfs/dbraw/zinc/22/70/35/1060227035.db2.gz DRQDKEAWVAVXSE-FPOVZHCZSA-N 1 0 482.654 2.707 20 30 JFEDRO C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286393041 1060241791 /nfs/dbraw/zinc/24/17/91/1060241791.db2.gz DHNBYKVRSDFOKW-SFTDATJTSA-N 1 0 487.670 2.866 20 30 JFEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286393654 1060245453 /nfs/dbraw/zinc/24/54/53/1060245453.db2.gz RGFSVZZSUPEIOE-RXVVDRJESA-N 1 0 490.699 2.525 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286394250 1060249384 /nfs/dbraw/zinc/24/93/84/1060249384.db2.gz HYCULINDOBEWTG-DHIUTWEWSA-N 1 0 499.681 2.913 20 30 JFEDRO C#CCN(c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286394191 1060249486 /nfs/dbraw/zinc/24/94/86/1060249486.db2.gz VECYESAMVNVAGP-PZJWPPBQSA-N 1 0 475.684 2.822 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286394373 1060250140 /nfs/dbraw/zinc/25/01/40/1060250140.db2.gz OHAGBNCSFUTTDE-JOCHJYFZSA-N 1 0 473.618 2.511 20 30 JFEDRO C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395955 1060260763 /nfs/dbraw/zinc/26/07/63/1060260763.db2.gz SZFWXCUWJKYMKG-FGZHOGPDSA-N 1 0 477.675 2.803 20 30 JFEDRO C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286396474 1060263140 /nfs/dbraw/zinc/26/31/40/1060263140.db2.gz UYMJLPHASOUBQR-OFNKIYASSA-N 1 0 483.682 2.940 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1CCC[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001286397786 1060269967 /nfs/dbraw/zinc/26/99/67/1060269967.db2.gz UUDCOVTXUYDJBU-QHCPKHFHSA-N 1 0 499.681 2.914 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CC[N@@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397993 1060271061 /nfs/dbraw/zinc/27/10/61/1060271061.db2.gz VTUUCPXQFFOYHG-FCHUYYIVSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286403480 1060286049 /nfs/dbraw/zinc/28/60/49/1060286049.db2.gz JVAZJIYNCAAPDD-UHFFFAOYSA-N 1 0 457.525 2.855 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286408122 1060290182 /nfs/dbraw/zinc/29/01/82/1060290182.db2.gz CWLWZNATWPNYKY-AREMUKBSSA-N 1 0 489.649 2.575 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286408636 1060291460 /nfs/dbraw/zinc/29/14/60/1060291460.db2.gz IILDFDDMKNNZAU-QHCPKHFHSA-N 1 0 485.592 2.616 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286408682 1060292184 /nfs/dbraw/zinc/29/21/84/1060292184.db2.gz JHKFUNSHLRITPT-FQEVSTJZSA-N 1 0 481.670 2.822 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CC(C)(C)C[NH+](C)C ZINC001286408789 1060292843 /nfs/dbraw/zinc/29/28/43/1060292843.db2.gz LMYJPWJIDAIRLM-UHFFFAOYSA-N 1 0 459.598 2.726 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286409993 1060295535 /nfs/dbraw/zinc/29/55/35/1060295535.db2.gz VEZQFHFXFSDIRF-FQEVSTJZSA-N 1 0 457.582 2.529 20 30 JFEDRO C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286414002 1060299740 /nfs/dbraw/zinc/29/97/40/1060299740.db2.gz PZTGRFMHKDVUPI-QFIPXVFZSA-N 1 0 460.630 2.645 20 30 JFEDRO C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001286414087 1060300084 /nfs/dbraw/zinc/30/00/84/1060300084.db2.gz SAPCDGGROMTSMP-UHFFFAOYSA-N 1 0 452.603 2.727 20 30 JFEDRO C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001286416990 1060305219 /nfs/dbraw/zinc/30/52/19/1060305219.db2.gz UUVOQEYXHNWNOW-UHFFFAOYSA-N 1 0 463.582 2.584 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286430234 1060320304 /nfs/dbraw/zinc/32/03/04/1060320304.db2.gz GCECXNFFEVQOSD-ZJSXRUAMSA-N 1 0 451.596 2.691 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001286433588 1060325433 /nfs/dbraw/zinc/32/54/33/1060325433.db2.gz XOJTWQCUFFNOML-XPWALMASSA-N 1 0 498.672 2.869 20 30 JFEDRO C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286435887 1060327602 /nfs/dbraw/zinc/32/76/02/1060327602.db2.gz MKYHJPQZLMMCLV-UHFFFAOYSA-N 1 0 472.597 2.597 20 30 JFEDRO C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC[NH+](CCC)CC1 ZINC001286437212 1060328151 /nfs/dbraw/zinc/32/81/51/1060328151.db2.gz CKRJENQITNVKEU-UHFFFAOYSA-N 1 0 472.659 2.777 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001286439547 1060330586 /nfs/dbraw/zinc/33/05/86/1060330586.db2.gz QQLMMANPTZXYFO-UHFFFAOYSA-N 1 0 484.652 2.867 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@]2(OCC)CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001286453751 1060337009 /nfs/dbraw/zinc/33/70/09/1060337009.db2.gz BMVMBDCJODFNIZ-AREMUKBSSA-N 1 0 485.604 2.820 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001286459913 1060343535 /nfs/dbraw/zinc/34/35/35/1060343535.db2.gz WMGDMLUEYFPXFX-UHFFFAOYSA-N 1 0 450.587 2.634 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001286464460 1060352359 /nfs/dbraw/zinc/35/23/59/1060352359.db2.gz BBZMYSCDAIVHAM-HXUWFJFHSA-N 1 0 460.623 2.574 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286465232 1060352754 /nfs/dbraw/zinc/35/27/54/1060352754.db2.gz KGKUAMXZANWCMJ-RTWAWAEBSA-N 1 0 486.661 2.963 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001286466183 1060353424 /nfs/dbraw/zinc/35/34/24/1060353424.db2.gz XGEQOFIQCKHDJM-BJKOFHAPSA-N 1 0 467.614 2.897 20 30 JFEDRO C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001286466966 1060355011 /nfs/dbraw/zinc/35/50/11/1060355011.db2.gz OUQFARPSXGROQW-UHFFFAOYSA-N 1 0 454.644 2.712 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001286472949 1060371517 /nfs/dbraw/zinc/37/15/17/1060371517.db2.gz XTAGNRKXMVTFMS-GGAORHGYSA-N 1 0 458.651 2.554 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286473676 1060376565 /nfs/dbraw/zinc/37/65/65/1060376565.db2.gz QKNLFRDJZVGJLI-WOJBJXKFSA-N 1 0 488.583 2.801 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286473714 1060377610 /nfs/dbraw/zinc/37/76/10/1060377610.db2.gz ROKBGKBBCRFYLJ-UHFFFAOYSA-N 1 0 464.536 2.983 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286480008 1060398341 /nfs/dbraw/zinc/39/83/41/1060398341.db2.gz JOLSALIDJFNBBS-NHCUHLMSSA-N 1 0 485.677 2.631 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001286484377 1060417186 /nfs/dbraw/zinc/41/71/86/1060417186.db2.gz JQUWQAIGBOGEDU-RUZDIDTESA-N 1 0 468.671 2.666 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001286484757 1060419453 /nfs/dbraw/zinc/41/94/53/1060419453.db2.gz OAPBZAIPOBUKQP-UHFFFAOYSA-N 1 0 475.435 2.715 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001286485254 1060424382 /nfs/dbraw/zinc/42/43/82/1060424382.db2.gz GVEBNZJAQZJODS-ZLNRFVROSA-N 1 0 499.704 2.926 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001286488216 1060449361 /nfs/dbraw/zinc/44/93/61/1060449361.db2.gz WUTFFJRRLYQWFC-UHFFFAOYSA-N 1 0 494.640 2.803 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCC[NH+](C)C)CC1 ZINC001286488503 1060452410 /nfs/dbraw/zinc/45/24/10/1060452410.db2.gz ZTQQUBGAKGQTCS-UHFFFAOYSA-N 1 0 480.657 2.787 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286489534 1060465931 /nfs/dbraw/zinc/46/59/31/1060465931.db2.gz WQNIFZTXVABYSF-JOCHJYFZSA-N 1 0 466.630 2.896 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](CC)CC)c2)CC1 ZINC001286490044 1060471260 /nfs/dbraw/zinc/47/12/60/1060471260.db2.gz KAVVHIOSWYKQIU-UHFFFAOYSA-N 1 0 488.640 2.535 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001286491396 1060484764 /nfs/dbraw/zinc/48/47/64/1060484764.db2.gz QBKYMTUMIUAWPB-UHFFFAOYSA-N 1 0 499.059 2.599 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001286491463 1060485691 /nfs/dbraw/zinc/48/56/91/1060485691.db2.gz SOALXNYNPRUWOV-JOCHJYFZSA-N 1 0 466.605 2.848 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286491903 1060491787 /nfs/dbraw/zinc/49/17/87/1060491787.db2.gz BLXSAGLFPUWJLT-VWPQPMDRSA-N 1 0 456.635 2.606 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3CC)n2CC[N@H+]2CC=CCC2)CC1 ZINC001286492119 1060494164 /nfs/dbraw/zinc/49/41/64/1060494164.db2.gz HUBICUNODOSMDL-UHFFFAOYSA-N 1 0 476.625 2.647 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCCC2)CC1 ZINC001286493978 1060505299 /nfs/dbraw/zinc/50/52/99/1060505299.db2.gz YHNBJDZETYHZJQ-UHFFFAOYSA-N 1 0 464.614 2.536 20 30 JFEDRO C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286498791 1060520149 /nfs/dbraw/zinc/52/01/49/1060520149.db2.gz ANNHYLWXVVESGD-YKSBVNFPSA-N 1 0 496.681 2.699 20 30 JFEDRO C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001286504150 1060528882 /nfs/dbraw/zinc/52/88/82/1060528882.db2.gz IUBYTIFPERVTSM-QHCPKHFHSA-N 1 0 462.623 2.871 20 30 JFEDRO C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286504794 1060530256 /nfs/dbraw/zinc/53/02/56/1060530256.db2.gz UGHCDMBXWNAEOI-OFNKIYASSA-N 1 0 496.681 2.699 20 30 JFEDRO C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001286505131 1060532070 /nfs/dbraw/zinc/53/20/70/1060532070.db2.gz VOKJTESNCHDDOR-NHCUHLMSSA-N 1 0 452.628 2.696 20 30 JFEDRO C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001286512147 1060546354 /nfs/dbraw/zinc/54/63/54/1060546354.db2.gz SFGJASWKBKIXMO-UHFFFAOYSA-N 1 0 484.718 2.501 20 30 JFEDRO C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001286512947 1060547694 /nfs/dbraw/zinc/54/76/94/1060547694.db2.gz ZKCPTXFDBYFHSF-VXKWHMMOSA-N 1 0 484.718 2.501 20 30 JFEDRO C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001286532428 1060568631 /nfs/dbraw/zinc/56/86/31/1060568631.db2.gz DTFLHEKCEBENBW-GOSISDBHSA-N 1 0 457.376 2.884 20 30 JFEDRO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001286538129 1060580449 /nfs/dbraw/zinc/58/04/49/1060580449.db2.gz JJUBVOCNLJIRED-MSOLQXFVSA-N 1 0 459.392 2.849 20 30 JFEDRO C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001286544586 1060591469 /nfs/dbraw/zinc/59/14/69/1060591469.db2.gz KGEKZPCDGLIDKM-IBGZPJMESA-N 1 0 488.434 2.972 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286547627 1060597586 /nfs/dbraw/zinc/59/75/86/1060597586.db2.gz PGXBGIAEBMTSFE-LGKPFJOYSA-N 1 0 458.651 2.762 20 30 JFEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286547998 1060600017 /nfs/dbraw/zinc/60/00/17/1060600017.db2.gz QYRZOYJZMRGCKU-KKSHJYNMSA-N 1 0 498.676 2.650 20 30 JFEDRO C=C(Br)Cn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 ZINC001286548739 1060603897 /nfs/dbraw/zinc/60/38/97/1060603897.db2.gz QCJIXNIYRJJYKY-LAUBAEHRSA-N 1 0 484.439 2.528 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001286566425 1060654960 /nfs/dbraw/zinc/65/49/60/1060654960.db2.gz MTFPPKJMZFOIMT-KJWPAHLWSA-N 1 0 480.613 2.867 20 30 JFEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001286595978 1060695897 /nfs/dbraw/zinc/69/58/97/1060695897.db2.gz PHOPKNBSLNWZQU-PSWAGMNNSA-N 1 0 481.689 2.764 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286603924 1060707057 /nfs/dbraw/zinc/70/70/57/1060707057.db2.gz BRWVLFUJZZQMDT-UHFFFAOYSA-N 1 0 473.021 2.936 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286605533 1060712648 /nfs/dbraw/zinc/71/26/48/1060712648.db2.gz ZPRRXKRXBULWGG-ICSRJNTNSA-N 1 0 459.616 2.614 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286606725 1060715739 /nfs/dbraw/zinc/71/57/39/1060715739.db2.gz YYVCMFVVDDHIJU-QFIPXVFZSA-N 1 0 453.635 2.846 20 30 JFEDRO C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001286608665 1060719057 /nfs/dbraw/zinc/71/90/57/1060719057.db2.gz UCRNQDMLGHKVNV-SIKLNZKXSA-N 1 0 457.575 2.540 20 30 JFEDRO C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286609579 1060720522 /nfs/dbraw/zinc/72/05/22/1060720522.db2.gz MUXMZTFMTRAFSF-QFIPXVFZSA-N 1 0 487.048 2.858 20 30 JFEDRO C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286612590 1060724090 /nfs/dbraw/zinc/72/40/90/1060724090.db2.gz HBIPBNKKTJKZNV-LJQANCHMSA-N 1 0 458.632 2.927 20 30 JFEDRO C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286622342 1060738885 /nfs/dbraw/zinc/73/88/85/1060738885.db2.gz FRFFXWVUDSFZDN-UHFFFAOYSA-N 1 0 467.039 2.868 20 30 JFEDRO C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286624020 1060742127 /nfs/dbraw/zinc/74/21/27/1060742127.db2.gz QAQIYDAOHDUFPS-LJQANCHMSA-N 1 0 491.036 2.940 20 30 JFEDRO C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286631733 1060752731 /nfs/dbraw/zinc/75/27/31/1060752731.db2.gz VNOPSUCOIMCNRA-UHFFFAOYSA-N 1 0 473.021 2.569 20 30 JFEDRO C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286637960 1060758358 /nfs/dbraw/zinc/75/83/58/1060758358.db2.gz QFEWMHCGPDZFGP-ZCNNSNEGSA-N 1 0 452.669 2.803 20 30 JFEDRO C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001286640661 1060760495 /nfs/dbraw/zinc/76/04/95/1060760495.db2.gz MWIPNNSNCYPGCB-UHFFFAOYSA-N 1 0 458.632 2.838 20 30 JFEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001286651349 1060766807 /nfs/dbraw/zinc/76/68/07/1060766807.db2.gz BFPYRIMKRBFZCU-FGSXEWAUSA-N 1 0 452.669 2.801 20 30 JFEDRO C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001286652743 1060769312 /nfs/dbraw/zinc/76/93/12/1060769312.db2.gz KANBDVVEQNGNDJ-UHFFFAOYSA-N 1 0 452.603 2.905 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286666672 1060779535 /nfs/dbraw/zinc/77/95/35/1060779535.db2.gz CVWDOUUJNXWENW-ZWKOTPCHSA-N 1 0 452.669 2.801 20 30 JFEDRO C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286685757 1060798292 /nfs/dbraw/zinc/79/82/92/1060798292.db2.gz YJFXPNAJXJUKMR-QFIPXVFZSA-N 1 0 453.635 2.928 20 30 JFEDRO C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286699626 1060809695 /nfs/dbraw/zinc/80/96/95/1060809695.db2.gz FXHCMDTYVLVYRV-NRFANRHFSA-N 1 0 490.649 2.854 20 30 JFEDRO C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286702004 1060815073 /nfs/dbraw/zinc/81/50/73/1060815073.db2.gz DGVSQJRQFSAMQM-OAQYLSRUSA-N 1 0 458.557 2.856 20 30 JFEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286741708 1060863674 /nfs/dbraw/zinc/86/36/74/1060863674.db2.gz CIMNQEMVCPGFRW-UHFFFAOYSA-N 1 0 479.629 2.716 20 30 JFEDRO C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286767780 1060897599 /nfs/dbraw/zinc/89/75/99/1060897599.db2.gz FWMXGVZRGINLAH-FQEVSTJZSA-N 1 0 489.690 2.997 20 30 JFEDRO C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286768338 1060898456 /nfs/dbraw/zinc/89/84/56/1060898456.db2.gz ZGXKNMXEYFQZII-LJQANCHMSA-N 1 0 465.602 2.563 20 30 JFEDRO C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286770229 1060902503 /nfs/dbraw/zinc/90/25/03/1060902503.db2.gz BRNIUIVKHPAEAF-UHFFFAOYSA-N 1 0 460.648 2.940 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286778911 1060917204 /nfs/dbraw/zinc/91/72/04/1060917204.db2.gz FPLLFBMDGAVZLK-QHCPKHFHSA-N 1 0 466.630 2.671 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001286781994 1060927779 /nfs/dbraw/zinc/92/77/79/1060927779.db2.gz GXTCACKKHMBJMG-UYAOXDASSA-N 1 0 486.686 2.981 20 30 JFEDRO C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001286789167 1060948668 /nfs/dbraw/zinc/94/86/68/1060948668.db2.gz PXOZNGJXXFAETB-GOSISDBHSA-N 1 0 451.600 2.511 20 30 JFEDRO C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001286797292 1060975685 /nfs/dbraw/zinc/97/56/85/1060975685.db2.gz VAXIGESRLWSSET-UXHICEINSA-N 1 0 452.603 2.933 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001286803827 1060990992 /nfs/dbraw/zinc/99/09/92/1060990992.db2.gz KDXUKNFTAISOSH-NZQKXSOJSA-N 1 0 454.619 2.761 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286812386 1061005553 /nfs/dbraw/zinc/00/55/53/1061005553.db2.gz LCMPVUPAQFMHAH-BHIFYINESA-N 1 0 471.650 2.809 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001286817307 1061030065 /nfs/dbraw/zinc/03/00/65/1061030065.db2.gz SPBREOVAHGXKFI-UYAOXDASSA-N 1 0 489.642 2.626 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286821399 1061052432 /nfs/dbraw/zinc/05/24/32/1061052432.db2.gz JXEXBLQLXMFXCY-FQEVSTJZSA-N 1 0 461.607 2.673 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286823281 1061061960 /nfs/dbraw/zinc/06/19/60/1061061960.db2.gz TYDLXENTZBYXGS-IFMALSPDSA-N 1 0 457.644 2.727 20 30 JFEDRO C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286826240 1061073288 /nfs/dbraw/zinc/07/32/88/1061073288.db2.gz BPWPYGLPSLGYHJ-UHFFFAOYSA-N 1 0 485.614 2.517 20 30 JFEDRO C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286833071 1061083368 /nfs/dbraw/zinc/08/33/68/1061083368.db2.gz UQCNIOLBVYRERR-FGZHOGPDSA-N 1 0 478.707 2.670 20 30 JFEDRO CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC[NH+](C)C)CC12CCCCC2 ZINC001286877621 1061295902 /nfs/dbraw/zinc/29/59/02/1061295902.db2.gz YDUQENHMKAUJIJ-UHFFFAOYSA-N 1 0 479.629 2.766 20 30 JFEDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001286906938 1061433676 /nfs/dbraw/zinc/43/36/76/1061433676.db2.gz OXSHLFRMHBKNTA-SFYKDHMMSA-N 1 0 479.629 2.809 20 30 JFEDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286906939 1061433783 /nfs/dbraw/zinc/43/37/83/1061433783.db2.gz OXSHLFRMHBKNTA-YYDVJCTNSA-N 1 0 479.629 2.809 20 30 JFEDRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001286913169 1061472221 /nfs/dbraw/zinc/47/22/21/1061472221.db2.gz SMOMTVNNXKYCBC-IFMALSPDSA-N 1 0 477.569 2.730 20 30 JFEDRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)C1 ZINC001286913301 1061474294 /nfs/dbraw/zinc/47/42/94/1061474294.db2.gz UWJIOEYQVPBMGB-QFIPXVFZSA-N 1 0 465.602 2.710 20 30 JFEDRO C[NH+]1CCN(c2ccc(CCNC(=O)COc3cccc(Br)c3C#N)cc2)CC1 ZINC001289897237 1061584176 /nfs/dbraw/zinc/58/41/76/1061584176.db2.gz CQVGOKGFMAQMLM-UHFFFAOYSA-N 1 0 457.372 2.810 20 30 JFEDRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001286943273 1061601204 /nfs/dbraw/zinc/60/12/04/1061601204.db2.gz ZRRAGLOQFJQLQP-VWNXMTODSA-N 1 0 479.629 2.526 20 30 JFEDRO CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286954177 1061703609 /nfs/dbraw/zinc/70/36/09/1061703609.db2.gz HKRLUSMPSSZYAU-LJQANCHMSA-N 1 0 465.602 2.566 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1([NH+](C)C)CCOCC1 ZINC001286960472 1061732424 /nfs/dbraw/zinc/73/24/24/1061732424.db2.gz GADIHTLSIGDUAG-HNNXBMFYSA-N 1 0 464.412 2.753 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294229546 1061745529 /nfs/dbraw/zinc/74/55/29/1061745529.db2.gz OFPJJLBUSDIUCM-IBGZPJMESA-N 1 0 453.591 2.518 20 30 JFEDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001286974826 1061771092 /nfs/dbraw/zinc/77/10/92/1061771092.db2.gz ATXLZHNECHGUSF-RTBURBONSA-N 1 0 488.658 2.861 20 30 JFEDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286976743 1061786705 /nfs/dbraw/zinc/78/67/05/1061786705.db2.gz GJXCSSQEEDNDLB-YVHKJVDXSA-N 1 0 476.672 2.512 20 30 JFEDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286976742 1061786855 /nfs/dbraw/zinc/78/68/55/1061786855.db2.gz GJXCSSQEEDNDLB-JLHGSKIFSA-N 1 0 476.672 2.512 20 30 JFEDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C1CCCC1 ZINC001286977202 1061790039 /nfs/dbraw/zinc/79/00/39/1061790039.db2.gz HDAPUAJGCURNDZ-MSOLQXFVSA-N 1 0 458.632 2.949 20 30 JFEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)C1 ZINC001294460791 1062008708 /nfs/dbraw/zinc/00/87/08/1062008708.db2.gz LGVYCXOCIYGDCK-QCVKPBSVSA-N 1 0 452.603 2.915 20 30 JFEDRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287041600 1062009886 /nfs/dbraw/zinc/00/98/86/1062009886.db2.gz NMNOTKLLSBPFNM-ZQKSFYQXSA-N 1 0 485.633 2.604 20 30 JFEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 ZINC001294461216 1062010655 /nfs/dbraw/zinc/01/06/55/1062010655.db2.gz UOEWWUUEDQATRR-FQEVSTJZSA-N 1 0 451.575 2.827 20 30 JFEDRO Cc1cnn(C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)CCO2)c1 ZINC001290280996 1062011973 /nfs/dbraw/zinc/01/19/73/1062011973.db2.gz WORWYHFUIZHHEE-HSZRJFAPSA-N 1 0 492.628 2.727 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294523951 1062060763 /nfs/dbraw/zinc/06/07/63/1062060763.db2.gz JDICCGYBLRFEEL-JOCHJYFZSA-N 1 0 492.672 2.682 20 30 JFEDRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287058411 1062085233 /nfs/dbraw/zinc/08/52/33/1062085233.db2.gz GOGMKWNYHAAZDU-VXKWHMMOSA-N 1 0 495.628 2.767 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001294655349 1062200329 /nfs/dbraw/zinc/20/03/29/1062200329.db2.gz ATIHLEQIIIBZFH-WOJBJXKFSA-N 1 0 451.623 2.922 20 30 JFEDRO Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001290435000 1062202004 /nfs/dbraw/zinc/20/20/04/1062202004.db2.gz CZBROUYKBHNMPH-HXUWFJFHSA-N 1 0 455.563 2.634 20 30 JFEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001294698824 1062261409 /nfs/dbraw/zinc/26/14/09/1062261409.db2.gz ZNOWHSKBCITJOF-GHTZIAJQSA-N 1 0 473.647 2.661 20 30 JFEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O ZINC001294699644 1062264288 /nfs/dbraw/zinc/26/42/88/1062264288.db2.gz PEFNQNSBOKZSRW-NRFANRHFSA-N 1 0 458.632 2.952 20 30 JFEDRO CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001287097068 1062302144 /nfs/dbraw/zinc/30/21/44/1062302144.db2.gz XXAIBTDGKAQFJS-UHFFFAOYSA-N 1 0 493.656 2.796 20 30 JFEDRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001287122416 1062372446 /nfs/dbraw/zinc/37/24/46/1062372446.db2.gz GGERKWGEXOEOKF-JOCHJYFZSA-N 1 0 493.656 2.652 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC001290576874 1062380581 /nfs/dbraw/zinc/38/05/81/1062380581.db2.gz KCLSDWVNSKDRRY-OALUTQOASA-N 1 0 497.692 2.704 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1C#N ZINC001290577851 1062383439 /nfs/dbraw/zinc/38/34/39/1062383439.db2.gz SZYUWYSULVPNKC-QZTJIDSGSA-N 1 0 453.639 2.583 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(-c4cccc(C#N)c4)n3CCC[N@@H+](C)C(C)C)CC2)c1C#N ZINC001290578222 1062384542 /nfs/dbraw/zinc/38/45/42/1062384542.db2.gz WVYMRTDMPFXLCO-UHFFFAOYSA-N 1 0 486.628 2.787 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC001290578277 1062384589 /nfs/dbraw/zinc/38/45/89/1062384589.db2.gz XOFAFPDITJNSJS-IBGZPJMESA-N 1 0 453.639 2.906 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)c1C#N ZINC001290578312 1062384618 /nfs/dbraw/zinc/38/46/18/1062384618.db2.gz YRPFVJJFZWSCER-IBGZPJMESA-N 1 0 467.666 2.938 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCCCC[NH+]3CCCC3)CC2)c1C#N ZINC001290578339 1062385080 /nfs/dbraw/zinc/38/50/80/1062385080.db2.gz ZXMRXWZAZXJCHQ-UHFFFAOYSA-N 1 0 453.639 2.873 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC001290591853 1062411356 /nfs/dbraw/zinc/41/13/56/1062411356.db2.gz UROUYPMAPTZCOO-GBXCKJPGSA-N 1 0 476.629 2.883 20 30 JFEDRO CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001294813572 1062490306 /nfs/dbraw/zinc/49/03/06/1062490306.db2.gz TWHRGFQZTIADPT-YADHBBJMSA-N 1 0 479.629 2.956 20 30 JFEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001294822710 1062508024 /nfs/dbraw/zinc/50/80/24/1062508024.db2.gz ORTWJOOHAGDFOO-UHFFFAOYSA-N 1 0 492.672 2.585 20 30 JFEDRO N#Cc1ccc(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1Br ZINC001294872298 1062580136 /nfs/dbraw/zinc/58/01/36/1062580136.db2.gz UWKGNCNTHNKYDV-GHTZIAJQSA-N 1 0 458.356 2.699 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC001294939903 1062723449 /nfs/dbraw/zinc/72/34/49/1062723449.db2.gz HEDXGPHHYILEIV-UXHICEINSA-N 1 0 454.575 2.811 20 30 JFEDRO CC(C)C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001287329535 1062806142 /nfs/dbraw/zinc/80/61/42/1062806142.db2.gz FVOBORPCOKUCFI-VXKWHMMOSA-N 1 0 466.634 2.742 20 30 JFEDRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295016849 1062812271 /nfs/dbraw/zinc/81/22/71/1062812271.db2.gz DCKWEVVTKWHQRB-HXUWFJFHSA-N 1 0 499.685 2.847 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001290999156 1062893077 /nfs/dbraw/zinc/89/30/77/1062893077.db2.gz JIXHMRFIPIJBLH-WOJBJXKFSA-N 1 0 479.629 2.764 20 30 JFEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)C(C)C ZINC001287457456 1062896082 /nfs/dbraw/zinc/89/60/82/1062896082.db2.gz WSOPTZOYYSBOLV-UHFFFAOYSA-N 1 0 451.619 2.833 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287469436 1062916490 /nfs/dbraw/zinc/91/64/90/1062916490.db2.gz RAPDCIULQAXQKD-HXUWFJFHSA-N 1 0 469.609 2.661 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001291015672 1062926578 /nfs/dbraw/zinc/92/65/78/1062926578.db2.gz UVLJZPOTWGXPSC-XPNTWCBSSA-N 1 0 452.603 2.996 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001291015671 1062926724 /nfs/dbraw/zinc/92/67/24/1062926724.db2.gz UVLJZPOTWGXPSC-XJUOHMSHSA-N 1 0 452.603 2.996 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295162031 1062985906 /nfs/dbraw/zinc/98/59/06/1062985906.db2.gz MWXKYNXNHIBDGP-CNNODRBYSA-N 1 0 470.643 2.951 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295165395 1062989015 /nfs/dbraw/zinc/98/90/15/1062989015.db2.gz QJRQTQYFJNUZJJ-NQIIRXRSSA-N 1 0 456.616 2.562 20 30 JFEDRO CC(C)CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC[N@H+](C)C(C)C)CCN2C1=O ZINC001287733896 1063058175 /nfs/dbraw/zinc/05/81/75/1063058175.db2.gz SVTRBEGVBCZCNP-QFIPXVFZSA-N 1 0 464.618 2.739 20 30 JFEDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291097403 1063060109 /nfs/dbraw/zinc/06/01/09/1063060109.db2.gz URMLAMPKLPWTMO-OAQYLSRUSA-N 1 0 479.629 2.766 20 30 JFEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105713 1063088820 /nfs/dbraw/zinc/08/88/20/1063088820.db2.gz MROFZOGSALPOGX-LQWHRVPQSA-N 1 0 456.616 2.560 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001291123171 1063137231 /nfs/dbraw/zinc/13/72/31/1063137231.db2.gz FWNPAFWZHFYRLT-HXUWFJFHSA-N 1 0 479.629 2.800 20 30 JFEDRO C[C@H]1CCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 ZINC001291139735 1063204901 /nfs/dbraw/zinc/20/49/01/1063204901.db2.gz JMKKKFIVHXJRPB-OVCNXMPXSA-N 1 0 461.586 2.975 20 30 JFEDRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC001291140892 1063211952 /nfs/dbraw/zinc/21/19/52/1063211952.db2.gz GCPNMYPLPMDAPY-RLBLXZPPSA-N 1 0 499.685 2.752 20 30 JFEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140890 1063211991 /nfs/dbraw/zinc/21/19/91/1063211991.db2.gz GCPNMYPLPMDAPY-JVSAHFFESA-N 1 0 499.685 2.752 20 30 JFEDRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001291179572 1063268328 /nfs/dbraw/zinc/26/83/28/1063268328.db2.gz HGQFYQWEHWDDCB-NRFANRHFSA-N 1 0 470.643 2.810 20 30 JFEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C[C@@H](C)O1 ZINC001291188981 1063306599 /nfs/dbraw/zinc/30/65/99/1063306599.db2.gz UDYLTBCTYGMLKW-SFHLNBCPSA-N 1 0 468.602 2.842 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295358990 1063317272 /nfs/dbraw/zinc/31/72/72/1063317272.db2.gz SUJXGHKGANBAMT-GCJKJVERSA-N 1 0 499.063 2.768 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295358992 1063317842 /nfs/dbraw/zinc/31/78/42/1063317842.db2.gz SUJXGHKGANBAMT-XMSQKQJNSA-N 1 0 499.063 2.768 20 30 JFEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001291195100 1063332471 /nfs/dbraw/zinc/33/24/71/1063332471.db2.gz KIALPWIJTBEBRO-IEBWSBKVSA-N 1 0 463.590 2.848 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295383256 1063356107 /nfs/dbraw/zinc/35/61/07/1063356107.db2.gz AFZGEVJGCMLTCT-HXUWFJFHSA-N 1 0 477.617 2.519 20 30 JFEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001295510384 1063545435 /nfs/dbraw/zinc/54/54/35/1063545435.db2.gz YEQHEHACWSSOIO-MLSMKVKPSA-N 1 0 467.574 2.541 20 30 JFEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 ZINC001295512599 1063547509 /nfs/dbraw/zinc/54/75/09/1063547509.db2.gz VYSDQNAWMMJKSO-FQEVSTJZSA-N 1 0 461.570 2.894 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001295528316 1063566304 /nfs/dbraw/zinc/56/63/04/1063566304.db2.gz PZZPXDSSJXJAMZ-GOSISDBHSA-N 1 0 463.590 2.955 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001295535481 1063572486 /nfs/dbraw/zinc/57/24/86/1063572486.db2.gz WBVANCNGNZXIJZ-UHFFFAOYSA-N 1 0 459.602 2.974 20 30 JFEDRO CC[NH+](CC)CCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001295540593 1063575155 /nfs/dbraw/zinc/57/51/55/1063575155.db2.gz ZYRFHUBRNUOYSR-UHFFFAOYSA-N 1 0 479.658 2.959 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001295553986 1063587479 /nfs/dbraw/zinc/58/74/79/1063587479.db2.gz OWVLPDFQXSMVDL-HXUWFJFHSA-N 1 0 489.628 2.981 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001295570847 1063606924 /nfs/dbraw/zinc/60/69/24/1063606924.db2.gz WILROMLRUVBKGO-WTIAFYNJSA-N 1 0 468.602 2.843 20 30 JFEDRO C[C@H]1C[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)C[C@H](C)O1 ZINC001291293104 1063682037 /nfs/dbraw/zinc/68/20/37/1063682037.db2.gz PAPXPUXNSSBDBK-PMACEKPBSA-N 1 0 463.586 2.968 20 30 JFEDRO C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291314797 1063747127 /nfs/dbraw/zinc/74/71/27/1063747127.db2.gz JSDXLZGPOHNHQT-QUCCMNQESA-N 1 0 456.616 2.517 20 30 JFEDRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C ZINC001295814526 1063814905 /nfs/dbraw/zinc/81/49/05/1063814905.db2.gz AQJOWQPMWAQPOZ-UHFFFAOYSA-N 1 0 482.608 2.582 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)CCC(F)(F)F ZINC001295827021 1063836018 /nfs/dbraw/zinc/83/60/18/1063836018.db2.gz JCKGSGKWFMRYIS-LJQANCHMSA-N 1 0 490.534 2.647 20 30 JFEDRO CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291365426 1063886473 /nfs/dbraw/zinc/88/64/73/1063886473.db2.gz IHKCSSSBSJNYNL-RCZVLFRGSA-N 1 0 451.619 2.582 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC001295865100 1063896174 /nfs/dbraw/zinc/89/61/74/1063896174.db2.gz BIZUUDDKOZATGY-CPJSRVTESA-N 1 0 468.602 2.843 20 30 JFEDRO CC[N@H+](CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868679 1063905098 /nfs/dbraw/zinc/90/50/98/1063905098.db2.gz UOKNSYVFXVBEEL-AREMUKBSSA-N 1 0 496.660 2.642 20 30 JFEDRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291390467 1063940833 /nfs/dbraw/zinc/94/08/33/1063940833.db2.gz XWYNHBDVGSGKLD-IBVKSMDESA-N 1 0 481.645 2.604 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001296014031 1064075517 /nfs/dbraw/zinc/07/55/17/1064075517.db2.gz XPFKSYLXRIISBD-BSRJHKFKSA-N 1 0 456.616 2.516 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@H]1C ZINC001296014032 1064075618 /nfs/dbraw/zinc/07/56/18/1064075618.db2.gz XPFKSYLXRIISBD-IEGUWTFLSA-N 1 0 456.616 2.516 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291568424 1064095774 /nfs/dbraw/zinc/09/57/74/1064095774.db2.gz BMVHJIOTSUDJKP-OAQYLSRUSA-N 1 0 479.629 2.624 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)C1 ZINC001296036852 1064096838 /nfs/dbraw/zinc/09/68/38/1064096838.db2.gz MYOFUYOBSUIEIF-NWSQWKLXSA-N 1 0 479.629 2.526 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N ZINC001296066642 1064132521 /nfs/dbraw/zinc/13/25/21/1064132521.db2.gz DVFGSORMQGXLNW-GUDVDZBRSA-N 1 0 461.611 2.667 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001296088370 1064158277 /nfs/dbraw/zinc/15/82/77/1064158277.db2.gz KTILJUWXINLHDE-LEWJYISDSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001296089230 1064160047 /nfs/dbraw/zinc/16/00/47/1064160047.db2.gz YZCSDZBFAPWHIA-SFTDATJTSA-N 1 0 456.616 2.563 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291621518 1064161255 /nfs/dbraw/zinc/16/12/55/1064161255.db2.gz VDBVNGMOUBVFQT-PWRODBHTSA-N 1 0 466.634 2.884 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001296089785 1064161189 /nfs/dbraw/zinc/16/11/89/1064161189.db2.gz RTGNPTSEKDHXKS-LEWJYISDSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001296135488 1064240156 /nfs/dbraw/zinc/24/01/56/1064240156.db2.gz ZGLGXLOAMNCRBN-RTWAWAEBSA-N 1 0 451.619 2.991 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001291765548 1064246055 /nfs/dbraw/zinc/24/60/55/1064246055.db2.gz MUTMNEJCRBOMOZ-RXVVDRJESA-N 1 0 467.618 2.869 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001291766247 1064247664 /nfs/dbraw/zinc/24/76/64/1064247664.db2.gz UCDOJWVVYVQXIU-NFBKMPQASA-N 1 0 462.602 2.957 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001291774655 1064263042 /nfs/dbraw/zinc/26/30/42/1064263042.db2.gz PYATZSOQIBPSQY-CTNGQTDRSA-N 1 0 452.607 2.843 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001291778097 1064265768 /nfs/dbraw/zinc/26/57/68/1064265768.db2.gz HLQCZPCSYQRZDD-IBGZPJMESA-N 1 0 493.635 2.979 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001291782434 1064271121 /nfs/dbraw/zinc/27/11/21/1064271121.db2.gz OYTSDOJVXZHPTM-FQEVSTJZSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001291782815 1064274047 /nfs/dbraw/zinc/27/40/47/1064274047.db2.gz UAOIXVPPFCBILC-SFHVURJKSA-N 1 0 479.658 2.957 20 30 JFEDRO CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291804499 1064322290 /nfs/dbraw/zinc/32/22/90/1064322290.db2.gz QHHSVUCPGDIVPD-IRLDBZIGSA-N 1 0 479.629 2.670 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296185258 1064332957 /nfs/dbraw/zinc/33/29/57/1064332957.db2.gz OEBVQBNISPWFNH-HTAPYJJXSA-N 1 0 460.989 2.709 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001296193124 1064348833 /nfs/dbraw/zinc/34/88/33/1064348833.db2.gz HNHNYSXQMRXEIQ-RTBURBONSA-N 1 0 453.591 2.686 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296195816 1064364300 /nfs/dbraw/zinc/36/43/00/1064364300.db2.gz LPCKIYSFLCTGLR-HSZRJFAPSA-N 1 0 451.619 2.850 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296196396 1064367139 /nfs/dbraw/zinc/36/71/39/1064367139.db2.gz SVCQEFYQZBREHP-VXKWHMMOSA-N 1 0 483.686 2.881 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296196871 1064370447 /nfs/dbraw/zinc/37/04/47/1064370447.db2.gz VNVIIKDRPDXYQN-XUZZJYLKSA-N 1 0 481.645 2.618 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001296197499 1064374664 /nfs/dbraw/zinc/37/46/64/1064374664.db2.gz XXXBEZWUODLVHH-DEOSSOPVSA-N 1 0 492.672 2.539 20 30 JFEDRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001296250170 1064512952 /nfs/dbraw/zinc/51/29/52/1064512952.db2.gz URZOLDGWVIGEFB-UHFFFAOYSA-N 1 0 467.618 2.669 20 30 JFEDRO CC[C@@H](c1nnc(N2CCO[C@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291898872 1064530019 /nfs/dbraw/zinc/53/00/19/1064530019.db2.gz IJRCLVTTWNBWLU-YTFSRNRJSA-N 1 0 452.603 2.786 20 30 JFEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001291961374 1064573878 /nfs/dbraw/zinc/57/38/78/1064573878.db2.gz HYOCXAOVRNCVCU-DHIUTWEWSA-N 1 0 463.586 2.683 20 30 JFEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC001291967939 1064583320 /nfs/dbraw/zinc/58/33/20/1064583320.db2.gz SARSHOSBJHVWFQ-XZOQPEGZSA-N 1 0 479.629 2.874 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)[NH+](C)C ZINC001292139250 1064907491 /nfs/dbraw/zinc/90/74/91/1064907491.db2.gz UZGCDDYDNIWUEM-DYESRHJHSA-N 1 0 453.591 2.596 20 30 JFEDRO CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292195348 1064987369 /nfs/dbraw/zinc/98/73/69/1064987369.db2.gz HLZDIQJKVROYFC-GMAHTHKFSA-N 1 0 499.685 2.799 20 30 JFEDRO CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001292252143 1065034226 /nfs/dbraw/zinc/03/42/26/1065034226.db2.gz NIFRTHYUYCNUIL-DHIUTWEWSA-N 1 0 481.645 2.758 20 30 JFEDRO CCc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)[NH+](C)C)cc1 ZINC001292457312 1065179589 /nfs/dbraw/zinc/17/95/89/1065179589.db2.gz JWUPZXHNNDXUES-GBXCKJPGSA-N 1 0 453.566 2.821 20 30 JFEDRO CCc1nn(C)c(CC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001292761103 1065517314 /nfs/dbraw/zinc/51/73/14/1065517314.db2.gz TYOYBBYDTYGYCR-LJQANCHMSA-N 1 0 476.629 2.880 20 30 JFEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001292766388 1065521168 /nfs/dbraw/zinc/52/11/68/1065521168.db2.gz LKPFCHFAENWHKT-GOSISDBHSA-N 1 0 452.983 2.630 20 30 JFEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1C ZINC001293014406 1065692539 /nfs/dbraw/zinc/69/25/39/1065692539.db2.gz VHPYBQYHGFICCF-NRFANRHFSA-N 1 0 456.597 2.760 20 30 JFEDRO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293113549 1065759647 /nfs/dbraw/zinc/75/96/47/1065759647.db2.gz JIHUQFJVYQZKGF-FQEVSTJZSA-N 1 0 465.650 2.975 20 30 JFEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001293376002 1065981529 /nfs/dbraw/zinc/98/15/29/1065981529.db2.gz BSPHRDWJDGTIRS-FGZHOGPDSA-N 1 0 479.629 2.956 20 30 JFEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC[N@@H+]1CCOC ZINC001293539850 1066058874 /nfs/dbraw/zinc/05/88/74/1066058874.db2.gz BGSMJZSOXVOTMP-QFIPXVFZSA-N 1 0 462.602 2.762 20 30 JFEDRO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001293559325 1066073438 /nfs/dbraw/zinc/07/34/38/1066073438.db2.gz AQYLFDIWHDFLTK-GMAHTHKFSA-N 1 0 465.646 2.952 20 30 JFEDRO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CC[NH+](CC)CC2)C[C@@H](C)O1 ZINC001293640914 1066157540 /nfs/dbraw/zinc/15/75/40/1066157540.db2.gz WHLOOKJEUADDRQ-FYYLOGMGSA-N 1 0 481.645 2.760 20 30 JFEDRO C[C@@H]1C[C@@H](N(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001293664539 1066169339 /nfs/dbraw/zinc/16/93/39/1066169339.db2.gz XGYMFJWXXZADOP-QUCCMNQESA-N 1 0 454.596 2.627 20 30 JFEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cc2)CC1 ZINC001294064062 1066534914 /nfs/dbraw/zinc/53/49/14/1066534914.db2.gz HNCOTOHTQSYGKU-FQEVSTJZSA-N 1 0 451.546 2.789 20 30 JFEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4[nH]cc(C#N)c43)CC2)c2ccccc21 ZINC001164681446 719656636 /nfs/dbraw/zinc/65/66/36/719656636.db2.gz PDECKSXEOBZSFT-SFHVURJKSA-N 1 0 457.582 2.923 20 30 JFEDRO CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164683557 719681734 /nfs/dbraw/zinc/68/17/34/719681734.db2.gz GBGQDEIVINERRY-LJQANCHMSA-N 1 0 471.609 2.876 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164729978 720518602 /nfs/dbraw/zinc/51/86/02/720518602.db2.gz PCFWNVGWOHSXQD-ZDUSSCGKSA-N 1 0 452.893 2.723 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164851505 720863408 /nfs/dbraw/zinc/86/34/08/720863408.db2.gz AAJDFPYIRIWWRO-YOEHRIQHSA-N 1 0 472.920 2.502 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888620 721399200 /nfs/dbraw/zinc/39/92/00/721399200.db2.gz KMXGDWAWPQYBHC-JPYJTQIMSA-N 1 0 461.994 2.549 20 30 JFEDRO COc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c(Cl)n1 ZINC001164886487 721421312 /nfs/dbraw/zinc/42/13/12/721421312.db2.gz JEEWKRODHJRVIH-KKSFZXQISA-N 1 0 469.964 2.926 20 30 JFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164896608 721426041 /nfs/dbraw/zinc/42/60/41/721426041.db2.gz ROWMQGUQNKXPCU-NLFFAJNJSA-N 1 0 454.619 2.703 20 30 JFEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1 ZINC001164892788 721448399 /nfs/dbraw/zinc/44/83/99/721448399.db2.gz YFRPRKLUTLIUCM-YKSBVNFPSA-N 1 0 450.543 2.780 20 30 JFEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 ZINC001164934594 721879682 /nfs/dbraw/zinc/87/96/82/721879682.db2.gz SGHZFUHYZDOSGM-SMIHKQSGSA-N 1 0 490.633 2.883 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983113 722108787 /nfs/dbraw/zinc/10/87/87/722108787.db2.gz YHLQBJBPKUKGBR-PXNSSMCTSA-N 1 0 455.946 2.906 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979660 722142389 /nfs/dbraw/zinc/14/23/89/722142389.db2.gz LROTUGYIDKFYOR-MZKRTTBSSA-N 1 0 472.549 2.532 20 30 JFEDRO N#Cc1cccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1Br ZINC001265063282 1059759558 /nfs/dbraw/zinc/75/95/58/1059759558.db2.gz IKKKPHNSNOZIJD-SFHVURJKSA-N 1 0 455.356 2.948 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286269714 1060028523 /nfs/dbraw/zinc/02/85/23/1060028523.db2.gz HMYIBPYYEZMNFQ-SFTDATJTSA-N 1 0 465.646 2.865 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286281759 1060041142 /nfs/dbraw/zinc/04/11/42/1060041142.db2.gz ISUIZEYJZYSFPK-HXUWFJFHSA-N 1 0 459.598 2.997 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001286286528 1060044846 /nfs/dbraw/zinc/04/48/46/1060044846.db2.gz YUFVIFQTVHLXEZ-IBGZPJMESA-N 1 0 495.653 2.685 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001286295784 1060049905 /nfs/dbraw/zinc/04/99/05/1060049905.db2.gz LGPXFOYHHJCFHV-VQTJNVASSA-N 1 0 460.623 2.776 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001286295783 1060049927 /nfs/dbraw/zinc/04/99/27/1060049927.db2.gz LGPXFOYHHJCFHV-UXHICEINSA-N 1 0 460.623 2.776 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001286295786 1060049963 /nfs/dbraw/zinc/04/99/63/1060049963.db2.gz LGPXFOYHHJCFHV-WOJBJXKFSA-N 1 0 460.623 2.776 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)CCOC ZINC001286298620 1060051638 /nfs/dbraw/zinc/05/16/38/1060051638.db2.gz MMMAGEPXJIXYFB-PMACEKPBSA-N 1 0 462.639 2.819 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001286300809 1060052703 /nfs/dbraw/zinc/05/27/03/1060052703.db2.gz XUGIEBWHOAWBEM-JTSKRJEESA-N 1 0 450.612 2.707 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286302203 1060054218 /nfs/dbraw/zinc/05/42/18/1060054218.db2.gz RMZXGQVLYJMMLN-WIYYLYMNSA-N 1 0 473.021 2.911 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC2CC[NH+](CC)CC2)c1 ZINC001286308968 1060062617 /nfs/dbraw/zinc/06/26/17/1060062617.db2.gz MXXGQQMZRFKJCH-UHFFFAOYSA-N 1 0 491.640 2.692 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001286310683 1060067885 /nfs/dbraw/zinc/06/78/85/1060067885.db2.gz FZZKDHQLNKWAJV-NRFANRHFSA-N 1 0 450.587 2.570 20 30 JFEDRO C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286314886 1060075986 /nfs/dbraw/zinc/07/59/86/1060075986.db2.gz IEVPIMQKZPTNQV-PMACEKPBSA-N 1 0 472.659 2.918 20 30 JFEDRO C#CCCCCn1c(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286334187 1060087553 /nfs/dbraw/zinc/08/75/53/1060087553.db2.gz FWOSNRAVOAKXLD-BVAGGSTKSA-N 1 0 472.678 2.727 20 30 JFEDRO C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286342473 1060097658 /nfs/dbraw/zinc/09/76/58/1060097658.db2.gz QUTWQKGBAXRLPE-QPPBQGQZSA-N 1 0 494.640 2.973 20 30 JFEDRO C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001286349626 1060106206 /nfs/dbraw/zinc/10/62/06/1060106206.db2.gz LAQOTWAJPWWOKX-HSZRJFAPSA-N 1 0 469.655 2.942 20 30 JFEDRO C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001286353656 1060110445 /nfs/dbraw/zinc/11/04/45/1060110445.db2.gz ZIZDJVPISXQVOF-HXUWFJFHSA-N 1 0 458.607 2.674 20 30 JFEDRO C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001286358632 1060117990 /nfs/dbraw/zinc/11/79/90/1060117990.db2.gz ZAOPMOPJUBHGDN-UHFFFAOYSA-N 1 0 463.586 2.725 20 30 JFEDRO C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001286362726 1060123186 /nfs/dbraw/zinc/12/31/86/1060123186.db2.gz FAJNRJOZSWOOMT-RCZVLFRGSA-N 1 0 453.587 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382408 1060155255 /nfs/dbraw/zinc/15/52/55/1060155255.db2.gz JCYFPWVBYISGDF-XLIONFOSSA-N 1 0 462.019 2.567 20 30 JFEDRO C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286386664 1060189316 /nfs/dbraw/zinc/18/93/16/1060189316.db2.gz FRNZQOZVLVMACG-KCZVDYSFSA-N 1 0 484.670 2.723 20 30 JFEDRO C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCC[N@H+]1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286387566 1060201952 /nfs/dbraw/zinc/20/19/52/1060201952.db2.gz SISHHYLJIHDESZ-YADHBBJMSA-N 1 0 470.643 2.621 20 30 JFEDRO C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCC[N@H+]1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286387565 1060202100 /nfs/dbraw/zinc/20/21/00/1060202100.db2.gz SISHHYLJIHDESZ-VXKWHMMOSA-N 1 0 470.643 2.621 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387682 1060203376 /nfs/dbraw/zinc/20/33/76/1060203376.db2.gz UBVGNGAGAIQQHF-VQTJNVASSA-N 1 0 473.643 2.557 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286387973 1060205497 /nfs/dbraw/zinc/20/54/97/1060205497.db2.gz JHQWJGGQWRGHST-IRLDBZIGSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cccc3cccnc32)n1CCC[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388257 1060209676 /nfs/dbraw/zinc/20/96/76/1060209676.db2.gz MJWIMWUUHMXIIM-OAQYLSRUSA-N 1 0 480.638 2.850 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(CC)CC)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388727 1060214703 /nfs/dbraw/zinc/21/47/03/1060214703.db2.gz BBQDPFZKXXULGQ-UNMCSNQZSA-N 1 0 472.659 2.642 20 30 JFEDRO C#CCN(c1nnc(C2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389000 1060217426 /nfs/dbraw/zinc/21/74/26/1060217426.db2.gz DPIZWEMVYOTPEU-GHTZIAJQSA-N 1 0 455.628 2.912 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286389226 1060219693 /nfs/dbraw/zinc/21/96/93/1060219693.db2.gz ZMMZJXQOSORLOH-VXKWHMMOSA-N 1 0 455.628 2.619 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286390373 1060224646 /nfs/dbraw/zinc/22/46/46/1060224646.db2.gz AMMGLIDUWLXZIA-WPFOTENUSA-N 1 0 483.682 2.810 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCC[N@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001286391780 1060234051 /nfs/dbraw/zinc/23/40/51/1060234051.db2.gz DRBRFQFCBJYUPZ-PKTZIBPZSA-N 1 0 487.645 2.899 20 30 JFEDRO C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286391978 1060235834 /nfs/dbraw/zinc/23/58/34/1060235834.db2.gz KLIAMZXHKAGKGJ-BJKOFHAPSA-N 1 0 483.682 2.955 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286393906 1060246765 /nfs/dbraw/zinc/24/67/65/1060246765.db2.gz LQWAJJUYZMPIHR-PKTZIBPZSA-N 1 0 487.645 2.755 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286394379 1060250213 /nfs/dbraw/zinc/25/02/13/1060250213.db2.gz OHAGBNCSFUTTDE-QFIPXVFZSA-N 1 0 473.618 2.511 20 30 JFEDRO C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[N@H+]1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286394999 1060252616 /nfs/dbraw/zinc/25/26/16/1060252616.db2.gz YNVAUJVGVGAFGH-GOTSBHOMSA-N 1 0 484.670 2.545 20 30 JFEDRO C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286395297 1060256676 /nfs/dbraw/zinc/25/66/76/1060256676.db2.gz ZJSZELAUQOJMTF-XZOQPEGZSA-N 1 0 496.681 2.884 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395960 1060260681 /nfs/dbraw/zinc/26/06/81/1060260681.db2.gz SZFWXCUWJKYMKG-YADHBBJMSA-N 1 0 477.675 2.803 20 30 JFEDRO C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397195 1060268142 /nfs/dbraw/zinc/26/81/42/1060268142.db2.gz YCPYMHFLYUBAJH-NHCUHLMSSA-N 1 0 463.692 2.861 20 30 JFEDRO C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCC[N@H+]1CC ZINC001286397749 1060270154 /nfs/dbraw/zinc/27/01/54/1060270154.db2.gz PPVCGVHHPNVMIC-OAQYLSRUSA-N 1 0 452.990 2.809 20 30 JFEDRO C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001286398814 1060277095 /nfs/dbraw/zinc/27/70/95/1060277095.db2.gz QAVUVDBWITUBER-UHFFFAOYSA-N 1 0 474.609 2.865 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286405941 1060288928 /nfs/dbraw/zinc/28/89/28/1060288928.db2.gz LVGQPCWHFHPCPW-NRFANRHFSA-N 1 0 452.990 2.614 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286408123 1060290265 /nfs/dbraw/zinc/29/02/65/1060290265.db2.gz CWLWZNATWPNYKY-SANMLTNESA-N 1 0 489.649 2.575 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001286408663 1060292384 /nfs/dbraw/zinc/29/23/84/1060292384.db2.gz IXIBACADNWEZKE-OAQYLSRUSA-N 1 0 471.609 2.868 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286409163 1060294449 /nfs/dbraw/zinc/29/44/49/1060294449.db2.gz INTPYFXZKUMGIA-WOJBJXKFSA-N 1 0 482.585 2.555 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001286410026 1060296172 /nfs/dbraw/zinc/29/61/72/1060296172.db2.gz VRDZKKWMZBIGAL-LJQANCHMSA-N 1 0 481.651 2.675 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001286414047 1060299656 /nfs/dbraw/zinc/29/96/56/1060299656.db2.gz QZVJQQALNGUPLI-NHCUHLMSSA-N 1 0 454.619 2.950 20 30 JFEDRO C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001286415507 1060302746 /nfs/dbraw/zinc/30/27/46/1060302746.db2.gz KXKZUXVVIFZFEO-ZEQRLZLVSA-N 1 0 460.626 2.531 20 30 JFEDRO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001286416386 1060303852 /nfs/dbraw/zinc/30/38/52/1060303852.db2.gz QSWXRLGDSSRAJD-NTKDMRAZSA-N 1 0 452.628 2.853 20 30 JFEDRO C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286416875 1060304718 /nfs/dbraw/zinc/30/47/18/1060304718.db2.gz SAMJXTYKVWERPJ-UHFFFAOYSA-N 1 0 467.639 2.887 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001286424137 1060311975 /nfs/dbraw/zinc/31/19/75/1060311975.db2.gz ZPVVCBTXLAULHI-WIOPSUGQSA-N 1 0 453.562 2.835 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286425930 1060314501 /nfs/dbraw/zinc/31/45/01/1060314501.db2.gz CTPSJQAKTJSMHJ-BGYRXZFFSA-N 1 0 473.581 2.556 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286428163 1060318242 /nfs/dbraw/zinc/31/82/42/1060318242.db2.gz PXMUOTWUZYZXGS-YADHBBJMSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001286429398 1060319936 /nfs/dbraw/zinc/31/99/36/1060319936.db2.gz GFPALYCRBYVBMM-UHFFFAOYSA-N 1 0 473.625 2.869 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286430232 1060320477 /nfs/dbraw/zinc/32/04/77/1060320477.db2.gz GCECXNFFEVQOSD-XUZZJYLKSA-N 1 0 451.596 2.691 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001286432676 1060324416 /nfs/dbraw/zinc/32/44/16/1060324416.db2.gz SUUXDXMUCIUORP-ILBGXUMGSA-N 1 0 460.626 2.531 20 30 JFEDRO C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001286435935 1060327354 /nfs/dbraw/zinc/32/73/54/1060327354.db2.gz NZPZJCKYKBKLIB-NRFANRHFSA-N 1 0 473.021 2.678 20 30 JFEDRO C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001286435936 1060327517 /nfs/dbraw/zinc/32/75/17/1060327517.db2.gz NZPZJCKYKBKLIB-OAQYLSRUSA-N 1 0 473.021 2.678 20 30 JFEDRO C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286442475 1060331727 /nfs/dbraw/zinc/33/17/27/1060331727.db2.gz AVFVCQGFOJHBDA-UHFFFAOYSA-N 1 0 491.640 2.760 20 30 JFEDRO C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001286442760 1060332121 /nfs/dbraw/zinc/33/21/21/1060332121.db2.gz LRXDQIMIIRCJNB-UHFFFAOYSA-N 1 0 483.617 2.969 20 30 JFEDRO C#CCN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001286449762 1060334616 /nfs/dbraw/zinc/33/46/16/1060334616.db2.gz GEHWZWZWJRYZQA-UHFFFAOYSA-N 1 0 472.641 2.612 20 30 JFEDRO C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001286452255 1060336428 /nfs/dbraw/zinc/33/64/28/1060336428.db2.gz MEVUCGIVFNXJEI-OYRHEFFESA-N 1 0 473.666 2.536 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286459362 1060342186 /nfs/dbraw/zinc/34/21/86/1060342186.db2.gz NMXYKTMFCOZJFQ-JOCHJYFZSA-N 1 0 459.598 2.637 20 30 JFEDRO C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286461754 1060347297 /nfs/dbraw/zinc/34/72/97/1060347297.db2.gz WTKQIHHGXMXASR-IBGZPJMESA-N 1 0 453.591 2.522 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286465233 1060352911 /nfs/dbraw/zinc/35/29/11/1060352911.db2.gz KGKUAMXZANWCMJ-SFTDATJTSA-N 1 0 486.661 2.963 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001286470494 1060362875 /nfs/dbraw/zinc/36/28/75/1060362875.db2.gz WXPRNCPLPYULBT-UBFVSLLYSA-N 1 0 495.668 2.898 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001286472227 1060368966 /nfs/dbraw/zinc/36/89/66/1060368966.db2.gz FQDTUTFVZDLZFS-UHFFFAOYSA-N 1 0 474.451 2.676 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286472377 1060369039 /nfs/dbraw/zinc/36/90/39/1060369039.db2.gz HHIQDAJOQZATBW-IBGZPJMESA-N 1 0 488.478 2.922 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286473495 1060375525 /nfs/dbraw/zinc/37/55/25/1060375525.db2.gz NIAKGQBPGNOVQJ-XMMPIXPASA-N 1 0 495.628 2.746 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001286473534 1060375749 /nfs/dbraw/zinc/37/57/49/1060375749.db2.gz OSXYCDPFMJPHBY-UHFFFAOYSA-N 1 0 457.022 2.589 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286473765 1060377218 /nfs/dbraw/zinc/37/72/18/1060377218.db2.gz SVIGLQIETBEOKO-VWLOTQADSA-N 1 0 480.657 2.846 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001286474331 1060382689 /nfs/dbraw/zinc/38/26/89/1060382689.db2.gz DAJXNGHJFPGGMS-JOCHJYFZSA-N 1 0 464.658 2.966 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001286478915 1060395668 /nfs/dbraw/zinc/39/56/68/1060395668.db2.gz IHPOVAHONHAIAR-OAQYLSRUSA-N 1 0 490.656 2.721 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286479928 1060397681 /nfs/dbraw/zinc/39/76/81/1060397681.db2.gz JCIHQXZEDYETRO-PKTZIBPZSA-N 1 0 452.603 2.586 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286479864 1060397816 /nfs/dbraw/zinc/39/78/16/1060397816.db2.gz JCIHQXZEDYETRO-DHIUTWEWSA-N 1 0 452.603 2.586 20 30 JFEDRO C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001286485725 1060429395 /nfs/dbraw/zinc/42/93/95/1060429395.db2.gz VVVCFVHEPIQLCK-DEOSSOPVSA-N 1 0 486.711 2.772 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286486176 1060433533 /nfs/dbraw/zinc/43/35/33/1060433533.db2.gz BZTSFUAUARKJDW-GOSISDBHSA-N 1 0 455.006 2.906 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001286487255 1060442444 /nfs/dbraw/zinc/44/24/44/1060442444.db2.gz FAOBBAWWMZOVTF-HSZRJFAPSA-N 1 0 499.059 2.801 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286489361 1060462005 /nfs/dbraw/zinc/46/20/05/1060462005.db2.gz PUCMJAGIEPAJFC-GOSISDBHSA-N 1 0 485.032 2.915 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001286489657 1060467705 /nfs/dbraw/zinc/46/77/05/1060467705.db2.gz BHNHFNQMTWRFNK-CLOONOSVSA-N 1 0 451.619 2.750 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286490222 1060473230 /nfs/dbraw/zinc/47/32/30/1060473230.db2.gz ITYKWFQTBRRJJA-NRFANRHFSA-N 1 0 463.630 2.735 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286490371 1060473906 /nfs/dbraw/zinc/47/39/06/1060473906.db2.gz RZAUEMWCOPCFSL-NRFANRHFSA-N 1 0 466.630 2.896 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001286491049 1060480030 /nfs/dbraw/zinc/48/00/30/1060480030.db2.gz CHSFZMAKDFFBGD-LJQANCHMSA-N 1 0 484.595 2.845 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001286491565 1060487426 /nfs/dbraw/zinc/48/74/26/1060487426.db2.gz XYJMEQLDFOGTRZ-FQEVSTJZSA-N 1 0 466.605 2.706 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286492239 1060494889 /nfs/dbraw/zinc/49/48/89/1060494889.db2.gz FLSODADAISTRID-OAQYLSRUSA-N 1 0 450.631 2.963 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286493600 1060502932 /nfs/dbraw/zinc/50/29/32/1060502932.db2.gz OCMJMQGLIGKMAF-RPWUZVMVSA-N 1 0 478.641 2.613 20 30 JFEDRO C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286498788 1060519504 /nfs/dbraw/zinc/51/95/04/1060519504.db2.gz ANNHYLWXVVESGD-HYBUGGRVSA-N 1 0 496.681 2.699 20 30 JFEDRO C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001286512946 1060547522 /nfs/dbraw/zinc/54/75/22/1060547522.db2.gz ZKCPTXFDBYFHSF-SZPZYZBQSA-N 1 0 484.718 2.501 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286515124 1060550070 /nfs/dbraw/zinc/55/00/70/1060550070.db2.gz DGXJIXHTQXFUQU-XMSQKQJNSA-N 1 0 475.435 2.885 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001286516113 1060551340 /nfs/dbraw/zinc/55/13/40/1060551340.db2.gz WFJZVGCVYIEGRX-NQHRYMMQSA-N 1 0 459.635 2.548 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001286516114 1060551393 /nfs/dbraw/zinc/55/13/93/1060551393.db2.gz WFJZVGCVYIEGRX-SDUSCBPUSA-N 1 0 459.635 2.548 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286519818 1060555400 /nfs/dbraw/zinc/55/54/00/1060555400.db2.gz LZFLFAIZPLJOKR-QFQXNSOFSA-N 1 0 464.614 2.889 20 30 JFEDRO C=C(Br)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001286538300 1060581276 /nfs/dbraw/zinc/58/12/76/1060581276.db2.gz LWAGPVLXMMRLFL-HNNXBMFYSA-N 1 0 488.390 2.659 20 30 JFEDRO C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286539272 1060582626 /nfs/dbraw/zinc/58/26/26/1060582626.db2.gz XXFPCUQOLMHZQE-IBGZPJMESA-N 1 0 467.456 2.685 20 30 JFEDRO C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001286539342 1060582827 /nfs/dbraw/zinc/58/28/27/1060582827.db2.gz YDOSIEULUZANJK-UHFFFAOYSA-N 1 0 475.439 2.639 20 30 JFEDRO C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286542624 1060587964 /nfs/dbraw/zinc/58/79/64/1060587964.db2.gz CUHKTIVEHGACBA-BEFAXECRSA-N 1 0 465.440 2.518 20 30 JFEDRO C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286544179 1060590371 /nfs/dbraw/zinc/59/03/71/1060590371.db2.gz FNDUBZXIFLUSJG-UHFFFAOYSA-N 1 0 461.408 2.721 20 30 JFEDRO C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286547251 1060596863 /nfs/dbraw/zinc/59/68/63/1060596863.db2.gz FXSPITLQLJIYDE-AOIWGVFYSA-N 1 0 484.439 2.600 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286547629 1060597946 /nfs/dbraw/zinc/59/79/46/1060597946.db2.gz PGXBGIAEBMTSFE-MALNDZBISA-N 1 0 458.651 2.762 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286555748 1060623614 /nfs/dbraw/zinc/62/36/14/1060623614.db2.gz YTOIUPIFLHMWRI-JFYQVNSESA-N 1 0 477.650 2.673 20 30 JFEDRO C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001286566847 1060655756 /nfs/dbraw/zinc/65/57/56/1060655756.db2.gz JTQNETHHYKZDFT-RBUKOAKNSA-N 1 0 460.648 2.738 20 30 JFEDRO C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001286592763 1060691938 /nfs/dbraw/zinc/69/19/38/1060691938.db2.gz UPLUNXLDVJJWTP-OAQYLSRUSA-N 1 0 490.649 2.711 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604254 1060708364 /nfs/dbraw/zinc/70/83/64/1060708364.db2.gz HKFSJVQOGAWAOF-PXDATVDWSA-N 1 0 496.656 2.925 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286606724 1060715223 /nfs/dbraw/zinc/71/52/23/1060715223.db2.gz YYVCMFVVDDHIJU-JOCHJYFZSA-N 1 0 453.635 2.846 20 30 JFEDRO C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001286608663 1060718961 /nfs/dbraw/zinc/71/89/61/1060718961.db2.gz UCRNQDMLGHKVNV-DENIHFKCSA-N 1 0 457.575 2.540 20 30 JFEDRO C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001286615652 1060730537 /nfs/dbraw/zinc/73/05/37/1060730537.db2.gz SNZIEBJBECOZSG-AZUAARDMSA-N 1 0 472.659 2.912 20 30 JFEDRO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286619568 1060735309 /nfs/dbraw/zinc/73/53/09/1060735309.db2.gz BQQJZVWJIQAWRG-BZSNNMDCSA-N 1 0 459.060 2.732 20 30 JFEDRO C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001286621092 1060737904 /nfs/dbraw/zinc/73/79/04/1060737904.db2.gz ZRKIKWUNQDGUDU-IEBWSBKVSA-N 1 0 467.039 2.599 20 30 JFEDRO C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286624099 1060742244 /nfs/dbraw/zinc/74/22/44/1060742244.db2.gz SAYFBLZXASIGLJ-LJQANCHMSA-N 1 0 461.010 2.931 20 30 JFEDRO C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286626440 1060744847 /nfs/dbraw/zinc/74/48/47/1060744847.db2.gz WNTHKUFWJIPCQM-GOSISDBHSA-N 1 0 461.010 2.931 20 30 JFEDRO C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286626915 1060745875 /nfs/dbraw/zinc/74/58/75/1060745875.db2.gz NQSXYOORKPAKCB-UHFFFAOYSA-N 1 0 452.028 2.911 20 30 JFEDRO C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286627106 1060746398 /nfs/dbraw/zinc/74/63/98/1060746398.db2.gz UHUASARTTNIZII-UHFFFAOYSA-N 1 0 452.028 2.769 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001286671977 1060785050 /nfs/dbraw/zinc/78/50/50/1060785050.db2.gz DCBULKUPGVAEBD-OAQYLSRUSA-N 1 0 494.706 2.668 20 30 JFEDRO C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286674908 1060788894 /nfs/dbraw/zinc/78/88/94/1060788894.db2.gz KAZUTQFWJAIYCM-IBGZPJMESA-N 1 0 499.685 2.615 20 30 JFEDRO C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001286683412 1060796596 /nfs/dbraw/zinc/79/65/96/1060796596.db2.gz QJCUPFKILNNKLE-LJQANCHMSA-N 1 0 453.591 2.971 20 30 JFEDRO C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286683726 1060796657 /nfs/dbraw/zinc/79/66/57/1060796657.db2.gz YJJPZIZWHKCHNH-GPJFCIFZSA-N 1 0 452.669 2.945 20 30 JFEDRO C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286708649 1060824988 /nfs/dbraw/zinc/82/49/88/1060824988.db2.gz RMRCFKVHOBQSSN-OFVILXPXSA-N 1 0 491.640 2.788 20 30 JFEDRO C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286711282 1060831911 /nfs/dbraw/zinc/83/19/11/1060831911.db2.gz LUPXIYOVNPBUCR-UHFFFAOYSA-N 1 0 460.586 2.855 20 30 JFEDRO C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001286712271 1060834117 /nfs/dbraw/zinc/83/41/17/1060834117.db2.gz VFNMXQRVIDQGPM-FGZHOGPDSA-N 1 0 479.691 2.865 20 30 JFEDRO C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001286715908 1060840365 /nfs/dbraw/zinc/84/03/65/1060840365.db2.gz XTYRCGDTSLAQBK-FQEVSTJZSA-N 1 0 461.010 2.841 20 30 JFEDRO C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286717396 1060842918 /nfs/dbraw/zinc/84/29/18/1060842918.db2.gz WRQDSSBJYIAQEI-OFVILXPXSA-N 1 0 454.619 2.763 20 30 JFEDRO C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[NH+]1CCN(CC)CC1 ZINC001286727320 1060848363 /nfs/dbraw/zinc/84/83/63/1060848363.db2.gz PHHJBAYYHHKGLY-OAQYLSRUSA-N 1 0 491.681 2.626 20 30 JFEDRO C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001286745420 1060869285 /nfs/dbraw/zinc/86/92/85/1060869285.db2.gz VUDTYNLKDHQGGT-JWQCQUIFSA-N 1 0 473.593 2.717 20 30 JFEDRO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286746343 1060871918 /nfs/dbraw/zinc/87/19/18/1060871918.db2.gz VYWFPKIJTJPZMQ-JTHBVZDNSA-N 1 0 487.670 2.874 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)C(C)C ZINC001286750991 1060878370 /nfs/dbraw/zinc/87/83/70/1060878370.db2.gz KPDUWJIUVPODAS-CEMLEFRQSA-N 1 0 464.618 2.681 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1)C(C)C ZINC001286751490 1060879063 /nfs/dbraw/zinc/87/90/63/1060879063.db2.gz QOAFEUQSRHQVQD-PWRODBHTSA-N 1 0 458.607 2.512 20 30 JFEDRO C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286767781 1060897557 /nfs/dbraw/zinc/89/75/57/1060897557.db2.gz FWMXGVZRGINLAH-HXUWFJFHSA-N 1 0 489.690 2.997 20 30 JFEDRO C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286771213 1060904090 /nfs/dbraw/zinc/90/40/90/1060904090.db2.gz BWXLQLYIPFLHJA-UHFFFAOYSA-N 1 0 489.418 2.647 20 30 JFEDRO C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001286780287 1060922191 /nfs/dbraw/zinc/92/21/91/1060922191.db2.gz DKCZXLGPRINHCX-UHFFFAOYSA-N 1 0 467.618 2.760 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286780454 1060923270 /nfs/dbraw/zinc/92/32/70/1060923270.db2.gz UMUIYQDMBOTVHF-UHFFFAOYSA-N 1 0 498.628 2.728 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286783838 1060935373 /nfs/dbraw/zinc/93/53/73/1060935373.db2.gz NGRGLGPVUZZECI-RBUKOAKNSA-N 1 0 470.618 2.962 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286784063 1060936448 /nfs/dbraw/zinc/93/64/48/1060936448.db2.gz VQDXJVOAVWHCJA-UHFFFAOYSA-N 1 0 468.602 2.719 20 30 JFEDRO C=CCNC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001286790316 1060951834 /nfs/dbraw/zinc/95/18/34/1060951834.db2.gz MRNRXSLOPKXIEX-JOCHJYFZSA-N 1 0 479.673 2.817 20 30 JFEDRO C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001286791280 1060955992 /nfs/dbraw/zinc/95/59/92/1060955992.db2.gz XJZVGXAYCRRHBL-UHFFFAOYSA-N 1 0 466.630 2.829 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001286793697 1060966232 /nfs/dbraw/zinc/96/62/32/1060966232.db2.gz JVKQVTLUAUSHRY-IFMALSPDSA-N 1 0 486.686 2.925 20 30 JFEDRO C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286830838 1061078834 /nfs/dbraw/zinc/07/88/34/1061078834.db2.gz VKHJSZNOSXAMAO-UGKGYDQZSA-N 1 0 469.659 2.638 20 30 JFEDRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001286844191 1061129518 /nfs/dbraw/zinc/12/95/18/1061129518.db2.gz NBTIPMCHQIHLNO-UHFFFAOYSA-N 1 0 453.591 2.516 20 30 JFEDRO CC(=O)N1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001286856754 1061214625 /nfs/dbraw/zinc/21/46/25/1061214625.db2.gz NDYPRHNRQNLNAH-UHFFFAOYSA-N 1 0 465.602 2.518 20 30 JFEDRO CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](CC(C)C)CC2)cn1 ZINC001286897553 1061383064 /nfs/dbraw/zinc/38/30/64/1061383064.db2.gz MJSKWJUSAFUZQT-UHFFFAOYSA-N 1 0 458.570 2.996 20 30 JFEDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286906937 1061433732 /nfs/dbraw/zinc/43/37/32/1061433732.db2.gz OXSHLFRMHBKNTA-SELNLUPBSA-N 1 0 479.629 2.809 20 30 JFEDRO Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001289828967 1061505198 /nfs/dbraw/zinc/50/51/98/1061505198.db2.gz RIWHAFDPGOSYQJ-FUPPJEDESA-N 1 0 468.602 2.702 20 30 JFEDRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C#N)C[NH+]1CCOCC1 ZINC001286960829 1061733949 /nfs/dbraw/zinc/73/39/49/1061733949.db2.gz JHWNVDKEVUNKIE-HUUCEWRRSA-N 1 0 450.385 2.600 20 30 JFEDRO C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N)C[NH+]1CCCCC1 ZINC001286964887 1061739608 /nfs/dbraw/zinc/73/96/08/1061739608.db2.gz FIHSDTFFAAULNT-RTBURBONSA-N 1 0 472.663 2.956 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001294228098 1061742451 /nfs/dbraw/zinc/74/24/51/1061742451.db2.gz AOVVQCUBRNHOBG-CJFMBICVSA-N 1 0 468.602 2.845 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294309949 1061800785 /nfs/dbraw/zinc/80/07/85/1061800785.db2.gz DEJWPQGYGKSZQR-QFIPXVFZSA-N 1 0 485.658 2.553 20 30 JFEDRO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001286981862 1061822360 /nfs/dbraw/zinc/82/23/60/1061822360.db2.gz LMLVHSJTBQYNEC-XZOQPEGZSA-N 1 0 493.656 2.795 20 30 JFEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 ZINC001287041325 1062008753 /nfs/dbraw/zinc/00/87/53/1062008753.db2.gz INFXZHIIWUEJDV-UHFFFAOYSA-N 1 0 479.629 2.813 20 30 JFEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001294460832 1062010040 /nfs/dbraw/zinc/01/00/40/1062010040.db2.gz MDEKSTGCTZMNJH-RBBKRZOGSA-N 1 0 451.619 2.706 20 30 JFEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001287042176 1062011881 /nfs/dbraw/zinc/01/18/81/1062011881.db2.gz BZZGOCIOYLOYIU-HXUWFJFHSA-N 1 0 470.643 2.952 20 30 JFEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001287046486 1062028882 /nfs/dbraw/zinc/02/88/82/1062028882.db2.gz RQFSESKLRZCPFI-QFIPXVFZSA-N 1 0 468.602 2.845 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001294527938 1062064248 /nfs/dbraw/zinc/06/42/48/1062064248.db2.gz XDEYCTAFDQLSLG-UHFFFAOYSA-N 1 0 497.051 2.966 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001294649176 1062190303 /nfs/dbraw/zinc/19/03/03/1062190303.db2.gz YRNSJVVUUIDIQH-UHFFFAOYSA-N 1 0 470.643 2.952 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294649183 1062191070 /nfs/dbraw/zinc/19/10/70/1062191070.db2.gz YXLMNHFURDNZQE-RBBKRZOGSA-N 1 0 470.643 2.952 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001294659869 1062209060 /nfs/dbraw/zinc/20/90/60/1062209060.db2.gz XMHDRJDPVNANBK-GOSISDBHSA-N 1 0 462.602 2.910 20 30 JFEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001294693195 1062253279 /nfs/dbraw/zinc/25/32/79/1062253279.db2.gz NQOKSJGLBGXIBZ-JOCHJYFZSA-N 1 0 479.629 2.954 20 30 JFEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O ZINC001294699648 1062264348 /nfs/dbraw/zinc/26/43/48/1062264348.db2.gz PEFNQNSBOKZSRW-OAQYLSRUSA-N 1 0 458.632 2.952 20 30 JFEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001287094041 1062294048 /nfs/dbraw/zinc/29/40/48/1062294048.db2.gz GTMDYUZQUJQVCA-HSALFYBXSA-N 1 0 487.649 2.900 20 30 JFEDRO CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001294741112 1062326625 /nfs/dbraw/zinc/32/66/25/1062326625.db2.gz VIFZVVSZYWVZRQ-NRFANRHFSA-N 1 0 479.629 2.909 20 30 JFEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001290543228 1062344766 /nfs/dbraw/zinc/34/47/66/1062344766.db2.gz RPWMASJZQQJCOA-UHFFFAOYSA-N 1 0 462.602 2.914 20 30 JFEDRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001287120976 1062365789 /nfs/dbraw/zinc/36/57/89/1062365789.db2.gz SZXJNDAVEUXTQV-QFIPXVFZSA-N 1 0 477.613 2.732 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3CC[N@@H+](C)C(C)C)CC2)c1C#N ZINC001290576290 1062379312 /nfs/dbraw/zinc/37/93/12/1062379312.db2.gz CUPRONGCJNZTHW-UHFFFAOYSA-N 1 0 453.639 2.591 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)c1C#N ZINC001290576904 1062380987 /nfs/dbraw/zinc/38/09/87/1062380987.db2.gz KMLDLGZVINQWIJ-OAQYLSRUSA-N 1 0 467.666 2.936 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)CC2)c1C#N ZINC001290576903 1062381237 /nfs/dbraw/zinc/38/12/37/1062381237.db2.gz KMLDLGZVINQWIJ-NRFANRHFSA-N 1 0 467.666 2.936 20 30 JFEDRO CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001287128448 1062399894 /nfs/dbraw/zinc/39/98/94/1062399894.db2.gz FUKPMRCWTDZJSM-UHFFFAOYSA-N 1 0 479.629 2.528 20 30 JFEDRO CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001294813570 1062488938 /nfs/dbraw/zinc/48/89/38/1062488938.db2.gz TWHRGFQZTIADPT-FGZHOGPDSA-N 1 0 479.629 2.956 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001290626373 1062498234 /nfs/dbraw/zinc/49/82/34/1062498234.db2.gz WLNCIAKCINOGEP-NHCUHLMSSA-N 1 0 454.623 2.769 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001287155031 1062537384 /nfs/dbraw/zinc/53/73/84/1062537384.db2.gz DMBNPQSILUFXID-OAQYLSRUSA-N 1 0 473.572 2.561 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001287158724 1062553076 /nfs/dbraw/zinc/55/30/76/1062553076.db2.gz UXMHTEZQOUKZSD-LEWJYISDSA-N 1 0 456.616 2.560 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287158766 1062553443 /nfs/dbraw/zinc/55/34/43/1062553443.db2.gz VVETUNPOYUVAIZ-VXKWHMMOSA-N 1 0 470.643 2.951 20 30 JFEDRO CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001287161714 1062564082 /nfs/dbraw/zinc/56/40/82/1062564082.db2.gz YTQUENWIUDZSQI-FCHUYYIVSA-N 1 0 470.643 2.809 20 30 JFEDRO CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001287161715 1062564766 /nfs/dbraw/zinc/56/47/66/1062564766.db2.gz YTQUENWIUDZSQI-FGZHOGPDSA-N 1 0 470.643 2.809 20 30 JFEDRO Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001290698559 1062629543 /nfs/dbraw/zinc/62/95/43/1062629543.db2.gz GJZUPRCULHEVES-UHFFFAOYSA-N 1 0 452.588 2.858 20 30 JFEDRO CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287208785 1062656065 /nfs/dbraw/zinc/65/60/65/1062656065.db2.gz ZGVSCZWGJAFVNG-DEOSSOPVSA-N 1 0 492.672 2.933 20 30 JFEDRO CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287208786 1062656106 /nfs/dbraw/zinc/65/61/06/1062656106.db2.gz ZGVSCZWGJAFVNG-XMMPIXPASA-N 1 0 492.672 2.933 20 30 JFEDRO CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287218376 1062699135 /nfs/dbraw/zinc/69/91/35/1062699135.db2.gz WMLNSFFKFJTZLB-FQEVSTJZSA-N 1 0 489.628 2.767 20 30 JFEDRO CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001287280404 1062756070 /nfs/dbraw/zinc/75/60/70/1062756070.db2.gz PIFJHAORECLCGQ-DHIUTWEWSA-N 1 0 479.629 2.621 20 30 JFEDRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001287280406 1062756112 /nfs/dbraw/zinc/75/61/12/1062756112.db2.gz PIFJHAORECLCGQ-PKTZIBPZSA-N 1 0 479.629 2.621 20 30 JFEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)[NH+](C)C ZINC001287323937 1062801383 /nfs/dbraw/zinc/80/13/83/1062801383.db2.gz XZTRXMYSLNMNEV-FGZHOGPDSA-N 1 0 464.618 2.833 20 30 JFEDRO CC(C)C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001287334610 1062812167 /nfs/dbraw/zinc/81/21/67/1062812167.db2.gz YLCVUWKGABURJM-IBGZPJMESA-N 1 0 472.663 2.954 20 30 JFEDRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001290985536 1062871072 /nfs/dbraw/zinc/87/10/72/1062871072.db2.gz ITUPBIBQBFUNCH-WMZHIEFXSA-N 1 0 479.629 2.906 20 30 JFEDRO CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001290997244 1062889491 /nfs/dbraw/zinc/88/94/91/1062889491.db2.gz BYRGIGPYSHRUGN-QDMVCWPOSA-N 1 0 474.650 2.804 20 30 JFEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001287456686 1062894420 /nfs/dbraw/zinc/89/44/20/1062894420.db2.gz IIKMPCFWRUMTGK-CPJSRVTESA-N 1 0 452.603 2.600 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 ZINC001291011628 1062912954 /nfs/dbraw/zinc/91/29/54/1062912954.db2.gz MXHCAKXEYNHKJF-ZVDOUQERSA-N 1 0 462.664 2.678 20 30 JFEDRO CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001295083807 1062916291 /nfs/dbraw/zinc/91/62/91/1062916291.db2.gz LOMSKRWXTCUVOU-LJQANCHMSA-N 1 0 465.602 2.518 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 ZINC001291013280 1062920312 /nfs/dbraw/zinc/92/03/12/1062920312.db2.gz LBBRNUAZLSXRHY-SVFBPWRDSA-N 1 0 462.664 2.678 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001291015556 1062925845 /nfs/dbraw/zinc/92/58/45/1062925845.db2.gz SMVVLZRKYPGSSX-QHAWAJNXSA-N 1 0 479.629 2.764 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001291015555 1062926037 /nfs/dbraw/zinc/92/60/37/1062926037.db2.gz SMVVLZRKYPGSSX-NJYVYQBISA-N 1 0 479.629 2.764 20 30 JFEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001287741036 1063067503 /nfs/dbraw/zinc/06/75/03/1063067503.db2.gz YFXJBXISCPPAEU-HXUWFJFHSA-N 1 0 458.632 2.666 20 30 JFEDRO CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295250621 1063069589 /nfs/dbraw/zinc/06/95/89/1063069589.db2.gz RIPFLDZQBAFTRU-NRFANRHFSA-N 1 0 486.642 2.617 20 30 JFEDRO CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)[C@H](C)C1=O ZINC001287752592 1063081140 /nfs/dbraw/zinc/08/11/40/1063081140.db2.gz NOWQZXZLIMKLJQ-ZJSXRUAMSA-N 1 0 493.656 2.867 20 30 JFEDRO CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1)S(C)(=O)=O ZINC001295267050 1063085449 /nfs/dbraw/zinc/08/54/49/1063085449.db2.gz PIVDUXAPIBZCOJ-HXUWFJFHSA-N 1 0 499.685 2.799 20 30 JFEDRO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295305850 1063167934 /nfs/dbraw/zinc/16/79/34/1063167934.db2.gz MZYKGDFXQOMLCG-MHZLTWQESA-N 1 0 493.656 2.748 20 30 JFEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C[C@@H](C)O1 ZINC001291188980 1063306752 /nfs/dbraw/zinc/30/67/52/1063306752.db2.gz UDYLTBCTYGMLKW-SBHAEUEKSA-N 1 0 468.602 2.842 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001295464719 1063467462 /nfs/dbraw/zinc/46/74/62/1063467462.db2.gz FLGRYOPPRRJTMK-WJTDDFOZSA-N 1 0 493.612 2.791 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001295475320 1063484664 /nfs/dbraw/zinc/48/46/64/1063484664.db2.gz SETPEZRGEMBGHD-UHFFFAOYSA-N 1 0 482.629 2.971 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 ZINC001295475563 1063485752 /nfs/dbraw/zinc/48/57/52/1063485752.db2.gz ZIGKLILWRFMQJU-VWLOTQADSA-N 1 0 468.602 2.845 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001295481853 1063494885 /nfs/dbraw/zinc/49/48/85/1063494885.db2.gz BHMGCIHVBZPYOC-UNMCSNQZSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001295482307 1063499822 /nfs/dbraw/zinc/49/98/22/1063499822.db2.gz JJKIIQJHDXSQJB-DHIUTWEWSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001295511621 1063546458 /nfs/dbraw/zinc/54/64/58/1063546458.db2.gz LZTGUHCSEFJASM-LEWJYISDSA-N 1 0 470.643 2.810 20 30 JFEDRO CC[NH+](CC)CCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(C)(C#N)CC1 ZINC001295543363 1063577582 /nfs/dbraw/zinc/57/75/82/1063577582.db2.gz GPASHXIRFGIOIW-UHFFFAOYSA-N 1 0 492.628 2.680 20 30 JFEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC(=O)N1C ZINC001291279597 1063599990 /nfs/dbraw/zinc/59/99/90/1063599990.db2.gz RECWUEKSZLEBPG-UTKZUKDTSA-N 1 0 479.610 2.760 20 30 JFEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287550 1063639660 /nfs/dbraw/zinc/63/96/60/1063639660.db2.gz DNLNMYNIJPIKOU-HSALFYBXSA-N 1 0 472.565 2.787 20 30 JFEDRO C[C@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC001291288520 1063649580 /nfs/dbraw/zinc/64/95/80/1063649580.db2.gz UFJQKEZYYCXSFH-PMACEKPBSA-N 1 0 465.602 2.521 20 30 JFEDRO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291288977 1063653928 /nfs/dbraw/zinc/65/39/28/1063653928.db2.gz BOGNYPHXDWSOKS-NHCUHLMSSA-N 1 0 479.629 2.621 20 30 JFEDRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Br)s3)nnc2N2CCO[C@@H](C#N)C2)C[C@H](C)O1 ZINC001291289580 1063658013 /nfs/dbraw/zinc/65/80/13/1063658013.db2.gz MKONSGQAQPSNRG-XHSDSOJGSA-N 1 0 495.447 2.997 20 30 JFEDRO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291289735 1063658841 /nfs/dbraw/zinc/65/88/41/1063658841.db2.gz PEQGFCQBFCSOSB-KDURUIRLSA-N 1 0 467.618 2.667 20 30 JFEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 ZINC001291295202 1063694427 /nfs/dbraw/zinc/69/44/27/1063694427.db2.gz VZLJZJHLBCYXGB-JPYJTQIMSA-N 1 0 460.529 2.939 20 30 JFEDRO CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001295693328 1063721962 /nfs/dbraw/zinc/72/19/62/1063721962.db2.gz SNFDKLBSDYZMML-UHFFFAOYSA-N 1 0 451.619 2.991 20 30 JFEDRO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295722022 1063737087 /nfs/dbraw/zinc/73/70/87/1063737087.db2.gz HTFJNSGCCNPEHV-PKTZIBPZSA-N 1 0 479.629 2.765 20 30 JFEDRO C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291315927 1063748892 /nfs/dbraw/zinc/74/88/92/1063748892.db2.gz ISTICDLNOXSPCN-DENIHFKCSA-N 1 0 479.629 2.763 20 30 JFEDRO C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291315928 1063749054 /nfs/dbraw/zinc/74/90/54/1063749054.db2.gz ISTICDLNOXSPCN-KNQAVFIVSA-N 1 0 479.629 2.763 20 30 JFEDRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295755286 1063761737 /nfs/dbraw/zinc/76/17/37/1063761737.db2.gz XAUGLVWORMURJK-XZOQPEGZSA-N 1 0 479.629 2.765 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1)C(C)C ZINC001295833739 1063848851 /nfs/dbraw/zinc/84/88/51/1063848851.db2.gz DCMFRRVKLXWPDQ-UHFFFAOYSA-N 1 0 458.632 2.951 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295834970 1063851353 /nfs/dbraw/zinc/85/13/53/1063851353.db2.gz YSWRIIFGMIKJKQ-NRFANRHFSA-N 1 0 463.508 2.793 20 30 JFEDRO CC[N@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC001295850600 1063874239 /nfs/dbraw/zinc/87/42/39/1063874239.db2.gz XHWLDJFZHPYVRC-NRFANRHFSA-N 1 0 452.607 2.843 20 30 JFEDRO CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291364250 1063883014 /nfs/dbraw/zinc/88/30/14/1063883014.db2.gz LWXDDRWHGDXPLN-YZIHRLCOSA-N 1 0 465.646 2.973 20 30 JFEDRO CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291365425 1063886447 /nfs/dbraw/zinc/88/64/47/1063886447.db2.gz IHKCSSSBSJNYNL-DHLKQENFSA-N 1 0 451.619 2.582 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001295877747 1063919338 /nfs/dbraw/zinc/91/93/38/1063919338.db2.gz KLYNUEIMSMJJTH-NRFANRHFSA-N 1 0 456.616 2.705 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001295879189 1063922220 /nfs/dbraw/zinc/92/22/20/1063922220.db2.gz XGUNZUDSPVVSNH-OALUTQOASA-N 1 0 458.632 2.808 20 30 JFEDRO CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001291413788 1063989971 /nfs/dbraw/zinc/98/99/71/1063989971.db2.gz PQHOLKWFCUMFBC-REWPJTCUSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001295983265 1064038923 /nfs/dbraw/zinc/03/89/23/1064038923.db2.gz HHYWXTUVAWWTIK-QZTJIDSGSA-N 1 0 456.616 2.560 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296011962 1064071964 /nfs/dbraw/zinc/07/19/64/1064071964.db2.gz RCQAFMGUUSVYKR-FSSWDIPSSA-N 1 0 481.645 2.616 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001296011970 1064072046 /nfs/dbraw/zinc/07/20/46/1064072046.db2.gz RCQAFMGUUSVYKR-VSKRKVRLSA-N 1 0 481.645 2.616 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001296012104 1064072543 /nfs/dbraw/zinc/07/25/43/1064072543.db2.gz RKAGMDZJEWFZJU-FFLIXWBRSA-N 1 0 493.612 2.611 20 30 JFEDRO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC001296022416 1064083198 /nfs/dbraw/zinc/08/31/98/1064083198.db2.gz ZENOQUIIRQQDAY-PMOQBDJRSA-N 1 0 499.685 2.754 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001296035144 1064093881 /nfs/dbraw/zinc/09/38/81/1064093881.db2.gz APLVCQSOTYTPLK-AUUYWEPGSA-N 1 0 450.360 2.830 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@H]2C)C1 ZINC001296036854 1064096940 /nfs/dbraw/zinc/09/69/40/1064096940.db2.gz MYOFUYOBSUIEIF-UNWVZKJWSA-N 1 0 479.629 2.526 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001296059623 1064122577 /nfs/dbraw/zinc/12/25/77/1064122577.db2.gz HJDOZMQPJFYBGR-WTIAFYNJSA-N 1 0 479.629 2.669 20 30 JFEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001296061185 1064126673 /nfs/dbraw/zinc/12/66/73/1064126673.db2.gz VSGMTCSNLSVNPW-LEWJYISDSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N ZINC001296066644 1064132573 /nfs/dbraw/zinc/13/25/73/1064132573.db2.gz DVFGSORMQGXLNW-OTWHNJEPSA-N 1 0 461.611 2.667 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N ZINC001296066643 1064132589 /nfs/dbraw/zinc/13/25/89/1064132589.db2.gz DVFGSORMQGXLNW-IPMKNSEASA-N 1 0 461.611 2.667 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001296079185 1064146584 /nfs/dbraw/zinc/14/65/84/1064146584.db2.gz CTGHUHOBQIMERI-VXKWHMMOSA-N 1 0 465.602 2.740 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291610885 1064148696 /nfs/dbraw/zinc/14/86/96/1064148696.db2.gz RHGBTWPHNOLMJS-XUZZJYLKSA-N 1 0 492.672 2.933 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001291619224 1064156777 /nfs/dbraw/zinc/15/67/77/1064156777.db2.gz LFVJRABKEQNYRA-JOCHJYFZSA-N 1 0 479.677 2.803 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001296098396 1064171774 /nfs/dbraw/zinc/17/17/74/1064171774.db2.gz XLYLJDYJKSCETC-QFIPXVFZSA-N 1 0 465.602 2.662 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001296123861 1064216105 /nfs/dbraw/zinc/21/61/05/1064216105.db2.gz CZEGNHVIMMBMOZ-YADHBBJMSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296125259 1064218660 /nfs/dbraw/zinc/21/86/60/1064218660.db2.gz LNRMPQCHGWIDCU-RBBKRZOGSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296127143 1064221168 /nfs/dbraw/zinc/22/11/68/1064221168.db2.gz UBBKOQIAUDBDRJ-IFMALSPDSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296133583 1064233933 /nfs/dbraw/zinc/23/39/33/1064233933.db2.gz JBSLSKCXCLEYCJ-IBGZPJMESA-N 1 0 455.582 2.762 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001296134868 1064237516 /nfs/dbraw/zinc/23/75/16/1064237516.db2.gz RSQKJMLBLXDIHM-NRFANRHFSA-N 1 0 451.619 2.991 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296135046 1064238476 /nfs/dbraw/zinc/23/84/76/1064238476.db2.gz VDXIAMNEEAQICQ-RTWAWAEBSA-N 1 0 469.659 2.634 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001291778098 1064265844 /nfs/dbraw/zinc/26/58/44/1064265844.db2.gz HLQCZPCSYQRZDD-LJQANCHMSA-N 1 0 493.635 2.979 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291782555 1064272420 /nfs/dbraw/zinc/27/24/20/1064272420.db2.gz FISDHDRBBFOFIY-OAQYLSRUSA-N 1 0 494.644 2.797 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 ZINC001291783467 1064277199 /nfs/dbraw/zinc/27/71/99/1064277199.db2.gz MHVZXVZZBXQHFN-LJQANCHMSA-N 1 0 453.591 2.518 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191760 1064342696 /nfs/dbraw/zinc/34/26/96/1064342696.db2.gz ANGHJIARBQQRDJ-NFBKMPQASA-N 1 0 451.619 2.911 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](COC)C2)CC1 ZINC001296194745 1064357464 /nfs/dbraw/zinc/35/74/64/1064357464.db2.gz FRJGNZLYSRJCFQ-QFIPXVFZSA-N 1 0 451.619 2.707 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296196397 1064367287 /nfs/dbraw/zinc/36/72/87/1064367287.db2.gz SVCQEFYQZBREHP-YADHBBJMSA-N 1 0 483.686 2.881 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296196854 1064367531 /nfs/dbraw/zinc/36/75/31/1064367531.db2.gz VIXWEBKDTGYAHT-BHDDXSALSA-N 1 0 481.645 2.616 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296196869 1064370243 /nfs/dbraw/zinc/37/02/43/1064370243.db2.gz VNVIIKDRPDXYQN-QPPBQGQZSA-N 1 0 481.645 2.618 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296196870 1064370345 /nfs/dbraw/zinc/37/03/45/1064370345.db2.gz VNVIIKDRPDXYQN-URXFXBBRSA-N 1 0 481.645 2.618 20 30 JFEDRO CCN1CC[NH+](CCCCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001296203020 1064380681 /nfs/dbraw/zinc/38/06/81/1064380681.db2.gz KIEOZQZFZGZSLM-REWPJTCUSA-N 1 0 467.618 2.804 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296203866 1064384074 /nfs/dbraw/zinc/38/40/74/1064384074.db2.gz QITMLZRSSBOKGV-DEOSSOPVSA-N 1 0 473.572 2.856 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296205647 1064391712 /nfs/dbraw/zinc/39/17/12/1064391712.db2.gz CPIJSSZHTCZDIT-UHFFFAOYSA-N 1 0 467.618 2.730 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292134208 1064892701 /nfs/dbraw/zinc/89/27/01/1064892701.db2.gz QTDDDFXEAGPOBH-PKTZIBPZSA-N 1 0 479.629 2.762 20 30 JFEDRO CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001292524105 1065248616 /nfs/dbraw/zinc/24/86/16/1065248616.db2.gz AXHYIKWINZPLFE-NFBKMPQASA-N 1 0 451.619 2.510 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001292599605 1065320215 /nfs/dbraw/zinc/32/02/15/1065320215.db2.gz XVVDWWYLOIIIOH-YKSBVNFPSA-N 1 0 456.566 2.708 20 30 JFEDRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293242440 1065904232 /nfs/dbraw/zinc/90/42/32/1065904232.db2.gz LEWUOBMTTOEHNL-RBBKRZOGSA-N 1 0 465.602 2.564 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC[N@@H+]1CCOC ZINC001293539849 1066058806 /nfs/dbraw/zinc/05/88/06/1066058806.db2.gz BGSMJZSOXVOTMP-JOCHJYFZSA-N 1 0 462.602 2.762 20 30 JFEDRO CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001293866932 1066379464 /nfs/dbraw/zinc/37/94/64/1066379464.db2.gz IYYUQTQEZBEAIY-UNMCSNQZSA-N 1 0 479.629 2.956 20 30 JFEDRO CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001294067364 1066538047 /nfs/dbraw/zinc/53/80/47/1066538047.db2.gz MICUBXBLZADVDH-XMMPIXPASA-N 1 0 495.672 2.865 20 30 JFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828318 720306134 /nfs/dbraw/zinc/30/61/34/720306134.db2.gz ZXVMYFDGALKQTG-HZPDHXFCSA-N 1 0 453.012 2.572 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825275 720307486 /nfs/dbraw/zinc/30/74/86/720307486.db2.gz SZHWQXCYMORFHY-MOPGFXCFSA-N 1 0 459.978 2.695 20 30 JFEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC1 ZINC001164830349 720331203 /nfs/dbraw/zinc/33/12/03/720331203.db2.gz PTAJTFSTRCUILP-SFTDATJTSA-N 1 0 452.603 2.849 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739178 720820664 /nfs/dbraw/zinc/82/06/64/720820664.db2.gz HNAVQNUWPRVYMV-CMKODMSKSA-N 1 0 469.977 2.754 20 30 JFEDRO CCc1nc(C#N)c(C#N)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752959 720932182 /nfs/dbraw/zinc/93/21/82/720932182.db2.gz POCNPKGEVWJURH-RLWLMLJZSA-N 1 0 457.582 2.932 20 30 JFEDRO CCc1nc(C#N)c(C#N)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752957 720932617 /nfs/dbraw/zinc/93/26/17/720932617.db2.gz POCNPKGEVWJURH-QFQXNSOFSA-N 1 0 457.582 2.932 20 30 JFEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC2)C1 ZINC001164872324 721273914 /nfs/dbraw/zinc/27/39/14/721273914.db2.gz BZWPZXOSEKZNDP-UHFFFAOYSA-N 1 0 486.979 2.815 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888623 721398992 /nfs/dbraw/zinc/39/89/92/721398992.db2.gz KMXGDWAWPQYBHC-WZONZLPQSA-N 1 0 461.994 2.549 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890582 721422582 /nfs/dbraw/zinc/42/25/82/721422582.db2.gz TYLLOLMGZYJIMY-NVQXNPDNSA-N 1 0 484.717 2.863 20 30 JFEDRO CSc1nc(-c2ccccc2)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1C#N ZINC001164796861 721515859 /nfs/dbraw/zinc/51/58/59/721515859.db2.gz FMYZJSYERJULGA-UHFFFAOYSA-N 1 0 460.611 2.701 20 30 JFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(COc4ccc(CC#N)cc4)cn2)CC3)CC1 ZINC001164794453 721519340 /nfs/dbraw/zinc/51/93/40/721519340.db2.gz DIOCTMPAHFQJDZ-UHFFFAOYSA-N 1 0 457.582 2.691 20 30 JFEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963325 722060808 /nfs/dbraw/zinc/06/08/08/722060808.db2.gz WRWYEGCIVHNMLM-NRFANRHFSA-N 1 0 478.597 2.939 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002644 722254826 /nfs/dbraw/zinc/25/48/26/722254826.db2.gz RTGKQKTZERLTRV-UHFFFAOYSA-N 1 0 469.662 2.782 20 30 JFEDRO CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001265828617 1059931125 /nfs/dbraw/zinc/93/11/25/1059931125.db2.gz QYDADOAWODZOKX-XZOQPEGZSA-N 1 0 459.550 2.886 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001286271286 1060029778 /nfs/dbraw/zinc/02/97/78/1060029778.db2.gz RLRXXDTZRVUBCI-SFHVURJKSA-N 1 0 453.616 2.745 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286281758 1060041061 /nfs/dbraw/zinc/04/10/61/1060041061.db2.gz ISUIZEYJZYSFPK-FQEVSTJZSA-N 1 0 459.598 2.997 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001286286529 1060044684 /nfs/dbraw/zinc/04/46/84/1060044684.db2.gz YUFVIFQTVHLXEZ-LJQANCHMSA-N 1 0 495.653 2.685 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCC(C)CC1 ZINC001286295781 1060049457 /nfs/dbraw/zinc/04/94/57/1060049457.db2.gz LGPXFOYHHJCFHV-PMACEKPBSA-N 1 0 460.623 2.776 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC001286309030 1060062408 /nfs/dbraw/zinc/06/24/08/1060062408.db2.gz NPBKRKILSPXHFS-UHFFFAOYSA-N 1 0 464.614 2.925 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001286309312 1060062967 /nfs/dbraw/zinc/06/29/67/1060062967.db2.gz JREKDTNHNKVYAX-JTPXSGRQSA-N 1 0 491.640 2.796 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC001286310034 1060065163 /nfs/dbraw/zinc/06/51/63/1060065163.db2.gz AORNQRMODVFPLM-FYYLOGMGSA-N 1 0 494.640 2.729 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCC(C)CC2)c1 ZINC001286310685 1060068055 /nfs/dbraw/zinc/06/80/55/1060068055.db2.gz FZZKDHQLNKWAJV-OAQYLSRUSA-N 1 0 450.587 2.570 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2([NH+]3CCCC3)CCOCC2)c1 ZINC001286310891 1060068476 /nfs/dbraw/zinc/06/84/76/1060068476.db2.gz HGIAJJLOMUWKJI-UHFFFAOYSA-N 1 0 450.587 2.542 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001286312017 1060072295 /nfs/dbraw/zinc/07/22/95/1060072295.db2.gz PVDBIVFQXAUWMX-TXTKFYIRSA-N 1 0 480.613 2.685 20 30 JFEDRO C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286314887 1060075924 /nfs/dbraw/zinc/07/59/24/1060075924.db2.gz IEVPIMQKZPTNQV-UXHICEINSA-N 1 0 472.659 2.918 20 30 JFEDRO C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286338735 1060093737 /nfs/dbraw/zinc/09/37/37/1060093737.db2.gz DQACWYWRLPHICJ-FQEVSTJZSA-N 1 0 472.540 2.703 20 30 JFEDRO C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001286339786 1060095363 /nfs/dbraw/zinc/09/53/63/1060095363.db2.gz ZEDGSLBBUCDQHG-RZUBCFFCSA-N 1 0 472.659 2.791 20 30 JFEDRO C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286380682 1060148359 /nfs/dbraw/zinc/14/83/59/1060148359.db2.gz COGNZYBURJEFNY-IBGZPJMESA-N 1 0 469.611 2.906 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286384199 1060168545 /nfs/dbraw/zinc/16/85/45/1060168545.db2.gz QCWRATAZRNSOFF-GOSISDBHSA-N 1 0 495.596 2.761 20 30 JFEDRO C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286384896 1060171418 /nfs/dbraw/zinc/17/14/18/1060171418.db2.gz KQCWNZQGXQNWPW-HSALFYBXSA-N 1 0 463.692 2.959 20 30 JFEDRO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286384953 1060172126 /nfs/dbraw/zinc/17/21/26/1060172126.db2.gz KVNCJBFHWMRKID-MDNUFGMLSA-N 1 0 469.655 2.931 20 30 JFEDRO C#CCN(c1nnc(C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385335 1060175377 /nfs/dbraw/zinc/17/53/77/1060175377.db2.gz WOTOYBSATBIDCL-XZOQPEGZSA-N 1 0 455.628 2.516 20 30 JFEDRO C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385726 1060178962 /nfs/dbraw/zinc/17/89/62/1060178962.db2.gz OOAWBNMGGNRXHF-SIKLNZKXSA-N 1 0 457.644 2.918 20 30 JFEDRO C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(C[N@H+](C)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001286385725 1060178988 /nfs/dbraw/zinc/17/89/88/1060178988.db2.gz OOAWBNMGGNRXHF-KNQAVFIVSA-N 1 0 457.644 2.918 20 30 JFEDRO C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1C[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286387068 1060195018 /nfs/dbraw/zinc/19/50/18/1060195018.db2.gz NNBFZICXFIFHKL-QHCPKHFHSA-N 1 0 494.665 2.800 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2C)n1CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387170 1060197751 /nfs/dbraw/zinc/19/77/51/1060197751.db2.gz OQZHPIDFYWDPHD-TZIWHRDSSA-N 1 0 455.628 2.612 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387215 1060198803 /nfs/dbraw/zinc/19/88/03/1060198803.db2.gz BLWSVGPVCJAOKT-GGAORHGYSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccc3cccnc32)n1C[C@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387788 1060203885 /nfs/dbraw/zinc/20/38/85/1060203885.db2.gz ICGQXPHNRJZKBP-PZJWPPBQSA-N 1 0 480.638 2.850 20 30 JFEDRO C#CCN(c1nnc(CC2CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286390512 1060225780 /nfs/dbraw/zinc/22/57/80/1060225780.db2.gz BMDSSQXLDMJSHR-KNQAVFIVSA-N 1 0 469.655 2.987 20 30 JFEDRO C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+](C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286390680 1060226880 /nfs/dbraw/zinc/22/68/80/1060226880.db2.gz DRQDKEAWVAVXSE-TZIWHRDSSA-N 1 0 482.654 2.707 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286390872 1060228908 /nfs/dbraw/zinc/22/89/08/1060228908.db2.gz AKFSOOZYUZRDHJ-OAQYLSRUSA-N 1 0 473.618 2.511 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286391217 1060230537 /nfs/dbraw/zinc/23/05/37/1060230537.db2.gz GZBUJVUXDZOMEZ-UPVQGACJSA-N 1 0 483.682 2.955 20 30 JFEDRO C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286391398 1060231649 /nfs/dbraw/zinc/23/16/49/1060231649.db2.gz IAESERFSUGOYQR-HSZRJFAPSA-N 1 0 469.655 2.746 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCC[N@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001286391778 1060233794 /nfs/dbraw/zinc/23/37/94/1060233794.db2.gz DRBRFQFCBJYUPZ-GOTSBHOMSA-N 1 0 487.645 2.899 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](CC)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286392917 1060240583 /nfs/dbraw/zinc/24/05/83/1060240583.db2.gz DBEKBYCEXNMCEG-FCHUYYIVSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[N@H+]1CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286395003 1060252330 /nfs/dbraw/zinc/25/23/30/1060252330.db2.gz YNVAUJVGVGAFGH-XZOQPEGZSA-N 1 0 484.670 2.545 20 30 JFEDRO C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@H+]1CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286394996 1060252422 /nfs/dbraw/zinc/25/24/22/1060252422.db2.gz YNVAUJVGVGAFGH-DHIUTWEWSA-N 1 0 484.670 2.545 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395181 1060254228 /nfs/dbraw/zinc/25/42/28/1060254228.db2.gz RGJFRFGYCWRWRL-NZQKXSOJSA-N 1 0 487.645 2.899 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1CC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395794 1060258867 /nfs/dbraw/zinc/25/88/67/1060258867.db2.gz OBEYJXUQWNFBML-FCHUYYIVSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1CC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286395796 1060259158 /nfs/dbraw/zinc/25/91/58/1060259158.db2.gz OBEYJXUQWNFBML-VXKWHMMOSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286396451 1060262426 /nfs/dbraw/zinc/26/24/26/1060262426.db2.gz PTRQCUGARROEKH-YADHBBJMSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397199 1060267996 /nfs/dbraw/zinc/26/79/96/1060267996.db2.gz YCPYMHFLYUBAJH-SFTDATJTSA-N 1 0 463.692 2.861 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1([NH+](C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286398235 1060272458 /nfs/dbraw/zinc/27/24/58/1060272458.db2.gz WQAOIKPVUSXSGY-JOCHJYFZSA-N 1 0 499.681 2.975 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286408080 1060290198 /nfs/dbraw/zinc/29/01/98/1060290198.db2.gz BCJCDMRRDKQEHB-AREMUKBSSA-N 1 0 489.649 2.746 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001286408093 1060290397 /nfs/dbraw/zinc/29/03/97/1060290397.db2.gz BQEYOFXOKKWLIK-NRFANRHFSA-N 1 0 471.590 2.629 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1([NH+](C)C)CCCCC1 ZINC001286409395 1060294963 /nfs/dbraw/zinc/29/49/63/1060294963.db2.gz QUJZAFXSVURQCP-UHFFFAOYSA-N 1 0 457.582 2.529 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286410527 1060297348 /nfs/dbraw/zinc/29/73/48/1060297348.db2.gz UOMVYYCVYAIPEM-OAQYLSRUSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001286412855 1060298358 /nfs/dbraw/zinc/29/83/58/1060298358.db2.gz FOLWAPNKHCELPJ-QFIPXVFZSA-N 1 0 484.645 2.578 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001286414048 1060299624 /nfs/dbraw/zinc/29/96/24/1060299624.db2.gz QZVJQQALNGUPLI-RTWAWAEBSA-N 1 0 454.619 2.950 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001286414293 1060300228 /nfs/dbraw/zinc/30/02/28/1060300228.db2.gz VEZCNJRVEYBXTA-XZOQPEGZSA-N 1 0 498.672 2.822 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001286414590 1060300723 /nfs/dbraw/zinc/30/07/23/1060300723.db2.gz ZSAIONJDVPZYGD-FQEVSTJZSA-N 1 0 454.619 2.950 20 30 JFEDRO C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001286415999 1060303594 /nfs/dbraw/zinc/30/35/94/1060303594.db2.gz KVPVUMFHMDWTCP-UHFFFAOYSA-N 1 0 486.414 2.803 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[NH+]1CCC(O)CC1 ZINC001286418419 1060306233 /nfs/dbraw/zinc/30/62/33/1060306233.db2.gz IRPQYJWJBRUOJN-UHFFFAOYSA-N 1 0 457.525 2.856 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@H+]1CCC ZINC001286423495 1060311578 /nfs/dbraw/zinc/31/15/78/1060311578.db2.gz VFGYJVFWTGWPBM-NRFANRHFSA-N 1 0 481.670 2.884 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001286424791 1060313055 /nfs/dbraw/zinc/31/30/55/1060313055.db2.gz KXSZHZAAMJJOIO-UHFFFAOYSA-N 1 0 451.571 2.536 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](CC(C)C)[NH+](C)C ZINC001286426228 1060315935 /nfs/dbraw/zinc/31/59/35/1060315935.db2.gz OLOWMXVNNUCFBK-FQEVSTJZSA-N 1 0 459.598 2.631 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001286426329 1060316474 /nfs/dbraw/zinc/31/64/74/1060316474.db2.gz RSVBLWQLXHSXKF-NRFANRHFSA-N 1 0 471.609 2.870 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286428127 1060317797 /nfs/dbraw/zinc/31/77/97/1060317797.db2.gz JHLNQSYCVKAJDO-UHFFFAOYSA-N 1 0 497.647 2.926 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286430664 1060320861 /nfs/dbraw/zinc/32/08/61/1060320861.db2.gz IPSYZMVPCISGIJ-XZOQPEGZSA-N 1 0 467.639 2.726 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(SC)CC[NH+](C)CC1 ZINC001286431623 1060322111 /nfs/dbraw/zinc/32/21/11/1060322111.db2.gz ZYFZPTGYXNOPHY-UHFFFAOYSA-N 1 0 461.639 2.807 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCn1cc(Cl)cn1 ZINC001286432313 1060323520 /nfs/dbraw/zinc/32/35/20/1060323520.db2.gz FHQDELQBKNYSNJ-UHFFFAOYSA-N 1 0 491.043 2.656 20 30 JFEDRO C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286437633 1060328642 /nfs/dbraw/zinc/32/86/42/1060328642.db2.gz PLOULTXSQMEAOW-WNCULLNHSA-N 1 0 480.657 2.989 20 30 JFEDRO C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001286437941 1060329026 /nfs/dbraw/zinc/32/90/26/1060329026.db2.gz PIDOXMAJAGHSOJ-HXUWFJFHSA-N 1 0 472.659 2.775 20 30 JFEDRO C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286438384 1060329719 /nfs/dbraw/zinc/32/97/19/1060329719.db2.gz YUVWOXIWSPGJRD-AREMUKBSSA-N 1 0 451.615 2.877 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286456538 1060338446 /nfs/dbraw/zinc/33/84/46/1060338446.db2.gz RNUAFGSYTZEPCM-QHCPKHFHSA-N 1 0 453.591 2.895 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286458193 1060339738 /nfs/dbraw/zinc/33/97/38/1060339738.db2.gz MJUWRVUWXRNLPM-QFIPXVFZSA-N 1 0 468.621 2.977 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001286458550 1060340892 /nfs/dbraw/zinc/34/08/92/1060340892.db2.gz XLMOTXOORZGBGU-IFMALSPDSA-N 1 0 475.634 2.935 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc32)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001286458801 1060341475 /nfs/dbraw/zinc/34/14/75/1060341475.db2.gz BWCJWHPEYYGXMC-UHFFFAOYSA-N 1 0 475.641 2.914 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286460617 1060345035 /nfs/dbraw/zinc/34/50/35/1060345035.db2.gz HJYGGUADKWCZEM-OAQYLSRUSA-N 1 0 482.604 2.680 20 30 JFEDRO C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286460760 1060345983 /nfs/dbraw/zinc/34/59/83/1060345983.db2.gz JGPUSJSIWRPGQT-XMMPIXPASA-N 1 0 470.643 2.671 20 30 JFEDRO C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001286461204 1060346129 /nfs/dbraw/zinc/34/61/29/1060346129.db2.gz PEIPLEQFMXZXIH-UHFFFAOYSA-N 1 0 464.614 2.634 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001286462947 1060350329 /nfs/dbraw/zinc/35/03/29/1060350329.db2.gz BYATZUVAPLSJDB-UHFFFAOYSA-N 1 0 463.582 2.938 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286472726 1060370448 /nfs/dbraw/zinc/37/04/48/1060370448.db2.gz DHOWUZVIWAWXMQ-OAQYLSRUSA-N 1 0 466.630 2.838 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001286474816 1060387299 /nfs/dbraw/zinc/38/72/99/1060387299.db2.gz QIVZZGAFRRUROZ-JOCHJYFZSA-N 1 0 466.630 2.982 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001286474969 1060388900 /nfs/dbraw/zinc/38/89/00/1060388900.db2.gz UDPDVSWMRXSRLN-UHFFFAOYSA-N 1 0 466.630 2.840 20 30 JFEDRO C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC001286481688 1060403124 /nfs/dbraw/zinc/40/31/24/1060403124.db2.gz WPFGJOSPEKMRSU-XMMPIXPASA-N 1 0 493.704 2.574 20 30 JFEDRO C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001286483495 1060409154 /nfs/dbraw/zinc/40/91/54/1060409154.db2.gz NHLKDCZIFOEVLS-UHFFFAOYSA-N 1 0 450.631 2.703 20 30 JFEDRO C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286483677 1060409892 /nfs/dbraw/zinc/40/98/92/1060409892.db2.gz UIEIHQMTQAQRGM-HSZRJFAPSA-N 1 0 450.631 2.559 20 30 JFEDRO C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286483678 1060410057 /nfs/dbraw/zinc/41/00/57/1060410057.db2.gz UIEIHQMTQAQRGM-QHCPKHFHSA-N 1 0 450.631 2.559 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286483762 1060410127 /nfs/dbraw/zinc/41/01/27/1060410127.db2.gz XWOJEIPBWMWPLD-UHFFFAOYSA-N 1 0 452.603 2.957 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001286484113 1060414103 /nfs/dbraw/zinc/41/41/03/1060414103.db2.gz DXPSUMFXMLFKSJ-QFIPXVFZSA-N 1 0 475.622 2.848 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](CC)CCC)CC1 ZINC001286488265 1060450344 /nfs/dbraw/zinc/45/03/44/1060450344.db2.gz LXJSJYNZVWCUMP-UHFFFAOYSA-N 1 0 490.450 2.733 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286488457 1060451364 /nfs/dbraw/zinc/45/13/64/1060451364.db2.gz NYVMVXGETVQWHX-XMSQKQJNSA-N 1 0 482.604 2.863 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCCC2)CC1 ZINC001286489008 1060457418 /nfs/dbraw/zinc/45/74/18/1060457418.db2.gz BNYABZRPBWSOLY-UHFFFAOYSA-N 1 0 485.430 2.769 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001286489508 1060464944 /nfs/dbraw/zinc/46/49/44/1060464944.db2.gz VNCSAJBYZFGPHN-FQEVSTJZSA-N 1 0 452.578 2.924 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286489641 1060466778 /nfs/dbraw/zinc/46/67/78/1060466778.db2.gz ARBBZFAUQNBTOG-UHFFFAOYSA-N 1 0 477.588 2.521 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286490224 1060473238 /nfs/dbraw/zinc/47/32/38/1060473238.db2.gz ITYKWFQTBRRJJA-OAQYLSRUSA-N 1 0 463.630 2.735 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286490542 1060475826 /nfs/dbraw/zinc/47/58/26/1060475826.db2.gz XNBMICKUVGAQJA-FQEVSTJZSA-N 1 0 451.619 2.751 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001286490863 1060479317 /nfs/dbraw/zinc/47/93/17/1060479317.db2.gz VHHPRQLOXZFICT-HXUWFJFHSA-N 1 0 463.630 2.736 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286491171 1060482016 /nfs/dbraw/zinc/48/20/16/1060482016.db2.gz HYOOUSQZAFBHLQ-DEOSSOPVSA-N 1 0 477.657 2.740 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCCC2)CC1 ZINC001286491370 1060483868 /nfs/dbraw/zinc/48/38/68/1060483868.db2.gz OUYVCUBDEKRTSN-UHFFFAOYSA-N 1 0 466.605 2.850 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001286492426 1060496051 /nfs/dbraw/zinc/49/60/51/1060496051.db2.gz LAKFESKIQWYYFV-UHFFFAOYSA-N 1 0 482.604 2.836 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001286493319 1060501513 /nfs/dbraw/zinc/50/15/13/1060501513.db2.gz GBQSEYPVJYMHBB-UHFFFAOYSA-N 1 0 486.711 2.724 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286495285 1060510764 /nfs/dbraw/zinc/51/07/64/1060510764.db2.gz XWVJVEIGUFPULX-JTHBVZDNSA-N 1 0 470.662 2.854 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001286495271 1060511524 /nfs/dbraw/zinc/51/15/24/1060511524.db2.gz ZBQXFSBXSKLART-UHFFFAOYSA-N 1 0 477.657 2.884 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286495356 1060511589 /nfs/dbraw/zinc/51/15/89/1060511589.db2.gz ZIYWCMBPGXSYBK-FYYLOGMGSA-N 1 0 482.604 2.580 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286495517 1060512957 /nfs/dbraw/zinc/51/29/57/1060512957.db2.gz YFQPECOIMNFCBL-RBBKRZOGSA-N 1 0 456.635 2.750 20 30 JFEDRO C#CCSCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286497977 1060517747 /nfs/dbraw/zinc/51/77/47/1060517747.db2.gz ZYCWKIICOUCDPI-QHCPKHFHSA-N 1 0 480.682 2.931 20 30 JFEDRO C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286498651 1060519661 /nfs/dbraw/zinc/51/96/61/1060519661.db2.gz CSMYDODFERLGLR-UHFFFAOYSA-N 1 0 485.654 2.877 20 30 JFEDRO C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001286499835 1060522623 /nfs/dbraw/zinc/52/26/23/1060522623.db2.gz PGIMSBGLJHEYND-OAQYLSRUSA-N 1 0 450.612 2.732 20 30 JFEDRO C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001286504147 1060528812 /nfs/dbraw/zinc/52/88/12/1060528812.db2.gz IUBYTIFPERVTSM-HSZRJFAPSA-N 1 0 462.623 2.871 20 30 JFEDRO C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286504796 1060530888 /nfs/dbraw/zinc/53/08/88/1060530888.db2.gz UGHCDMBXWNAEOI-REWPJTCUSA-N 1 0 496.681 2.699 20 30 JFEDRO C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286505785 1060533523 /nfs/dbraw/zinc/53/35/23/1060533523.db2.gz ATSREAJUZIGWOS-UHFFFAOYSA-N 1 0 468.675 2.739 20 30 JFEDRO C#CCSCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286506094 1060533885 /nfs/dbraw/zinc/53/38/85/1060533885.db2.gz PWYXJPZXOMLEQV-UHFFFAOYSA-N 1 0 487.073 2.633 20 30 JFEDRO C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001286512945 1060547673 /nfs/dbraw/zinc/54/76/73/1060547673.db2.gz ZKCPTXFDBYFHSF-FGZHOGPDSA-N 1 0 484.718 2.501 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286516761 1060552480 /nfs/dbraw/zinc/55/24/80/1060552480.db2.gz LLHOCNRYAWPKNV-PXDATVDWSA-N 1 0 485.032 2.700 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286516762 1060552613 /nfs/dbraw/zinc/55/26/13/1060552613.db2.gz LLHOCNRYAWPKNV-SQJMNOBHSA-N 1 0 485.032 2.700 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[NH+]1CCN(CC)CC1 ZINC001286520996 1060555923 /nfs/dbraw/zinc/55/59/23/1060555923.db2.gz YMSUVVDOOCNLNP-AREMUKBSSA-N 1 0 466.630 2.982 20 30 JFEDRO C=C(Br)Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286529950 1060561185 /nfs/dbraw/zinc/56/11/85/1060561185.db2.gz BCTOOAXMTMYWEJ-MAUKXSAKSA-N 1 0 453.429 2.689 20 30 JFEDRO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001286538133 1060580399 /nfs/dbraw/zinc/58/03/99/1060580399.db2.gz JJUBVOCNLJIRED-ROUUACIJSA-N 1 0 459.392 2.849 20 30 JFEDRO C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286540683 1060584170 /nfs/dbraw/zinc/58/41/70/1060584170.db2.gz QLAPIROHKHSHAG-LJQANCHMSA-N 1 0 491.409 2.659 20 30 JFEDRO C=C(Br)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCOCC1 ZINC001286544449 1060590870 /nfs/dbraw/zinc/59/08/70/1060590870.db2.gz WLKOSPMKTSNSBU-UHFFFAOYSA-N 1 0 475.435 2.778 20 30 JFEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286546119 1060594552 /nfs/dbraw/zinc/59/45/52/1060594552.db2.gz GIXPBPUNGKMAMY-TZIWHRDSSA-N 1 0 453.591 2.827 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286547625 1060597514 /nfs/dbraw/zinc/59/75/14/1060597514.db2.gz PGXBGIAEBMTSFE-IZBOUPIGSA-N 1 0 458.651 2.762 20 30 JFEDRO C=C(Br)Cn1c(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001286548251 1060600858 /nfs/dbraw/zinc/60/08/58/1060600858.db2.gz VEXUVVYEQILKJP-YJBOKZPZSA-N 1 0 467.456 2.863 20 30 JFEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286565909 1060653736 /nfs/dbraw/zinc/65/37/36/1060653736.db2.gz QJPPWRKJTJRXPS-NZQKXSOJSA-N 1 0 458.651 2.940 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286565919 1060653866 /nfs/dbraw/zinc/65/38/66/1060653866.db2.gz QJPPWRKJTJRXPS-REWPJTCUSA-N 1 0 458.651 2.940 20 30 JFEDRO C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001286594468 1060695941 /nfs/dbraw/zinc/69/59/41/1060695941.db2.gz SIUXAQQLRDVSDO-UHFFFAOYSA-N 1 0 451.619 2.659 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001286605470 1060712799 /nfs/dbraw/zinc/71/27/99/1060712799.db2.gz XIYQYDZWJKFJOB-FQEVSTJZSA-N 1 0 459.616 2.616 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286605530 1060712872 /nfs/dbraw/zinc/71/28/72/1060712872.db2.gz ZPRRXKRXBULWGG-AZUAARDMSA-N 1 0 459.616 2.614 20 30 JFEDRO C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001286609311 1060720074 /nfs/dbraw/zinc/72/00/74/1060720074.db2.gz ZUDODKQABVCWGD-FCHUYYIVSA-N 1 0 479.691 2.865 20 30 JFEDRO C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001286609313 1060720157 /nfs/dbraw/zinc/72/01/57/1060720157.db2.gz ZUDODKQABVCWGD-FGZHOGPDSA-N 1 0 479.691 2.865 20 30 JFEDRO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001286619620 1060735942 /nfs/dbraw/zinc/73/59/42/1060735942.db2.gz BQQJZVWJIQAWRG-SQNIBIBYSA-N 1 0 459.060 2.732 20 30 JFEDRO C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001286627139 1060746357 /nfs/dbraw/zinc/74/63/57/1060746357.db2.gz VJVZSZJQKALDMJ-UHFFFAOYSA-N 1 0 455.010 2.685 20 30 JFEDRO C=C1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001286648258 1060764622 /nfs/dbraw/zinc/76/46/22/1060764622.db2.gz NDEIBNUHBPJQIN-UHFFFAOYSA-N 1 0 452.603 2.740 20 30 JFEDRO C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001286648757 1060764707 /nfs/dbraw/zinc/76/47/07/1060764707.db2.gz MFXFEXSGZXOQBN-FQEVSTJZSA-N 1 0 457.648 2.733 20 30 JFEDRO C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCOC)CC1 ZINC001286663896 1060776534 /nfs/dbraw/zinc/77/65/34/1060776534.db2.gz RFHYAIILZZNRMD-NRFANRHFSA-N 1 0 492.665 2.957 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286673042 1060787483 /nfs/dbraw/zinc/78/74/83/1060787483.db2.gz SZGYZGHELPLLHJ-FCEUIQTBSA-N 1 0 458.651 2.763 20 30 JFEDRO C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286702001 1060814939 /nfs/dbraw/zinc/81/49/39/1060814939.db2.gz DGVSQJRQFSAMQM-NRFANRHFSA-N 1 0 458.557 2.856 20 30 JFEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286704362 1060817776 /nfs/dbraw/zinc/81/77/76/1060817776.db2.gz RSOICOBQSXNXPZ-JOCHJYFZSA-N 1 0 452.603 2.875 20 30 JFEDRO C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001286709746 1060828172 /nfs/dbraw/zinc/82/81/72/1060828172.db2.gz CUIGDNZRKBZSBW-OAQYLSRUSA-N 1 0 456.566 2.673 20 30 JFEDRO C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001286712270 1060834095 /nfs/dbraw/zinc/83/40/95/1060834095.db2.gz VFNMXQRVIDQGPM-FCHUYYIVSA-N 1 0 479.691 2.865 20 30 JFEDRO C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001286713164 1060837153 /nfs/dbraw/zinc/83/71/53/1060837153.db2.gz CFARCTJESOVDIR-XYJFISCASA-N 1 0 452.650 2.655 20 30 JFEDRO C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286717395 1060842810 /nfs/dbraw/zinc/84/28/10/1060842810.db2.gz WRQDSSBJYIAQEI-BWKNWUBXSA-N 1 0 454.619 2.763 20 30 JFEDRO C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001286718878 1060844386 /nfs/dbraw/zinc/84/43/86/1060844386.db2.gz VFMFEVYNCBRYGA-UHFFFAOYSA-N 1 0 486.667 2.937 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C ZINC001286750768 1060877452 /nfs/dbraw/zinc/87/74/52/1060877452.db2.gz GWXWRTFKRJUKNU-JOCHJYFZSA-N 1 0 451.623 2.525 20 30 JFEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC001286750470 1060877462 /nfs/dbraw/zinc/87/74/62/1060877462.db2.gz AZFYDIJDOAELHV-QHCPKHFHSA-N 1 0 476.629 2.639 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC001286750469 1060877517 /nfs/dbraw/zinc/87/75/17/1060877517.db2.gz AZFYDIJDOAELHV-HSZRJFAPSA-N 1 0 476.629 2.639 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC001286751072 1060879052 /nfs/dbraw/zinc/87/90/52/1060879052.db2.gz MGONBSWZGAVFGV-OUMCCJGNSA-N 1 0 459.635 2.865 20 30 JFEDRO C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286757181 1060883776 /nfs/dbraw/zinc/88/37/76/1060883776.db2.gz HSURZJMDHNTTOA-UHFFFAOYSA-N 1 0 479.677 2.657 20 30 JFEDRO C=CCn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286771560 1060905212 /nfs/dbraw/zinc/90/52/12/1060905212.db2.gz YAJQLZSLJDBYNI-UHFFFAOYSA-N 1 0 468.602 2.673 20 30 JFEDRO C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286779159 1060918567 /nfs/dbraw/zinc/91/85/67/1060918567.db2.gz OYEHMJLQRITYHC-YPAWHYETSA-N 1 0 460.667 2.614 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001286779429 1060919639 /nfs/dbraw/zinc/91/96/39/1060919639.db2.gz ISTHEXHWWYTZPX-HNNXBMFYSA-N 1 0 464.412 2.506 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001286780768 1060924024 /nfs/dbraw/zinc/92/40/24/1060924024.db2.gz QFYWVLDPRBOMDH-OAQYLSRUSA-N 1 0 493.612 2.956 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001286783102 1060931848 /nfs/dbraw/zinc/93/18/48/1060931848.db2.gz GTVJBECTABXSFK-AZUAARDMSA-N 1 0 468.602 2.718 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286783787 1060934820 /nfs/dbraw/zinc/93/48/20/1060934820.db2.gz LONWCXPXQIOZIL-UHFFFAOYSA-N 1 0 477.407 2.549 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286794171 1060968102 /nfs/dbraw/zinc/96/81/02/1060968102.db2.gz YQAVKJVRIJNEAI-IFMALSPDSA-N 1 0 458.651 2.954 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001286801282 1060986126 /nfs/dbraw/zinc/98/61/26/1060986126.db2.gz XRBNQOMVVMUZEC-DNRQZRRGSA-N 1 0 455.603 2.883 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001286801284 1060986240 /nfs/dbraw/zinc/98/62/40/1060986240.db2.gz XRBNQOMVVMUZEC-OTPAQWSUSA-N 1 0 455.603 2.883 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001286803825 1060990890 /nfs/dbraw/zinc/99/08/90/1060990890.db2.gz KDXUKNFTAISOSH-NFBKMPQASA-N 1 0 454.619 2.761 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286812348 1061004997 /nfs/dbraw/zinc/00/49/97/1061004997.db2.gz LCMPVUPAQFMHAH-BDTNDASRSA-N 1 0 471.650 2.809 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001286813261 1061006946 /nfs/dbraw/zinc/00/69/46/1061006946.db2.gz YUCYLRDHWWEYAH-JAXLGGSGSA-N 1 0 454.619 2.933 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001286822599 1061057634 /nfs/dbraw/zinc/05/76/34/1061057634.db2.gz LGFIWRUQAAHWMW-IBGZPJMESA-N 1 0 478.688 2.547 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286823283 1061062636 /nfs/dbraw/zinc/06/26/36/1061062636.db2.gz TYDLXENTZBYXGS-IRLDBZIGSA-N 1 0 457.644 2.727 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286823284 1061062675 /nfs/dbraw/zinc/06/26/75/1061062675.db2.gz TYDLXENTZBYXGS-RBBKRZOGSA-N 1 0 457.644 2.727 20 30 JFEDRO C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286825741 1061072323 /nfs/dbraw/zinc/07/23/23/1061072323.db2.gz WNNJHBUURMCWJD-WOJBJXKFSA-N 1 0 467.680 2.764 20 30 JFEDRO Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC001289606122 1061251387 /nfs/dbraw/zinc/25/13/87/1061251387.db2.gz VKSIQLZTMPVQCM-NRFANRHFSA-N 1 0 450.543 2.954 20 30 JFEDRO CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286869751 1061263298 /nfs/dbraw/zinc/26/32/98/1061263298.db2.gz YVMOGXNHSHDSDE-UHFFFAOYSA-N 1 0 479.629 2.909 20 30 JFEDRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001286871458 1061273206 /nfs/dbraw/zinc/27/32/06/1061273206.db2.gz OOUAKIYPFSLHOL-OFVILXPXSA-N 1 0 493.656 2.748 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)[C@@H](C)C1 ZINC001286882184 1061309253 /nfs/dbraw/zinc/30/92/53/1061309253.db2.gz FDQRRXZDTGXOIY-AVRDEDQJSA-N 1 0 477.569 2.682 20 30 JFEDRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001286913173 1061472243 /nfs/dbraw/zinc/47/22/43/1061472243.db2.gz SMOMTVNNXKYCBC-IRLDBZIGSA-N 1 0 477.569 2.730 20 30 JFEDRO Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001289828968 1061505069 /nfs/dbraw/zinc/50/50/69/1061505069.db2.gz RIWHAFDPGOSYQJ-MQSCRBSSSA-N 1 0 468.602 2.702 20 30 JFEDRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001286942650 1061595930 /nfs/dbraw/zinc/59/59/30/1061595930.db2.gz VUUZDDGRPKWQQU-QHCPKHFHSA-N 1 0 467.618 2.667 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286959808 1061730716 /nfs/dbraw/zinc/73/07/16/1061730716.db2.gz AXWARJAWLILYSQ-YLJYHZDGSA-N 1 0 485.614 2.687 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286960123 1061731855 /nfs/dbraw/zinc/73/18/55/1061731855.db2.gz KIKQMNHEPFATKP-NRFANRHFSA-N 1 0 487.612 2.734 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294229547 1061745571 /nfs/dbraw/zinc/74/55/71/1061745571.db2.gz OFPJJLBUSDIUCM-LJQANCHMSA-N 1 0 453.591 2.518 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001294229671 1061746285 /nfs/dbraw/zinc/74/62/85/1061746285.db2.gz OUNMGQUDLZUWDQ-UXHICEINSA-N 1 0 454.531 2.575 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286970149 1061746365 /nfs/dbraw/zinc/74/63/65/1061746365.db2.gz UUSYBKYNWRLSAF-VXKWHMMOSA-N 1 0 451.619 2.980 20 30 JFEDRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001286974824 1061770953 /nfs/dbraw/zinc/77/09/53/1061770953.db2.gz ATXLZHNECHGUSF-OALUTQOASA-N 1 0 488.658 2.861 20 30 JFEDRO C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C1CCCC1)S(C)(=O)=O ZINC001286977212 1061789657 /nfs/dbraw/zinc/78/96/57/1061789657.db2.gz HDAPUAJGCURNDZ-ZWKOTPCHSA-N 1 0 458.632 2.949 20 30 JFEDRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001286981859 1061822526 /nfs/dbraw/zinc/82/25/26/1061822526.db2.gz LMLVHSJTBQYNEC-DHIUTWEWSA-N 1 0 493.656 2.795 20 30 JFEDRO Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290158441 1061900296 /nfs/dbraw/zinc/90/02/96/1061900296.db2.gz KHHYYOSWGWZAMZ-QHCPKHFHSA-N 1 0 463.630 2.860 20 30 JFEDRO CCCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([NH+](C)C)CCOCC2)cc1OC ZINC001294372621 1061942151 /nfs/dbraw/zinc/94/21/51/1061942151.db2.gz KCYKEPRMLOJUAB-OAQYLSRUSA-N 1 0 498.628 2.972 20 30 JFEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001287040245 1062006813 /nfs/dbraw/zinc/00/68/13/1062006813.db2.gz YAYFQLHJIHSIJY-UHFFFAOYSA-N 1 0 472.597 2.917 20 30 JFEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C1 ZINC001294460831 1062009453 /nfs/dbraw/zinc/00/94/53/1062009453.db2.gz MDEKSTGCTZMNJH-IRLDBZIGSA-N 1 0 451.619 2.706 20 30 JFEDRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287041598 1062009930 /nfs/dbraw/zinc/00/99/30/1062009930.db2.gz NMNOTKLLSBPFNM-SSRRSSPNSA-N 1 0 485.633 2.604 20 30 JFEDRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287041597 1062010137 /nfs/dbraw/zinc/01/01/37/1062010137.db2.gz NMNOTKLLSBPFNM-DDYOIZNJSA-N 1 0 485.633 2.604 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294507845 1062045440 /nfs/dbraw/zinc/04/54/40/1062045440.db2.gz VQJMMSHBUQUKHB-BWKNWUBXSA-N 1 0 492.672 2.537 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294524230 1062062009 /nfs/dbraw/zinc/06/20/09/1062062009.db2.gz PEXACQVGUCHOPW-OAQYLSRUSA-N 1 0 458.632 2.952 20 30 JFEDRO Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCC[NH+]2CCC(O)CC2)cs1 ZINC001290391419 1062093937 /nfs/dbraw/zinc/09/39/37/1062093937.db2.gz VUBZXAVMVHNBCP-UHFFFAOYSA-N 1 0 465.627 2.989 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294650300 1062195784 /nfs/dbraw/zinc/19/57/84/1062195784.db2.gz TUVSRYUUQTZJOB-PZJWPPBQSA-N 1 0 456.616 2.562 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001294655346 1062200120 /nfs/dbraw/zinc/20/01/20/1062200120.db2.gz ATIHLEQIIIBZFH-VQTJNVASSA-N 1 0 451.623 2.922 20 30 JFEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290542885 1062344412 /nfs/dbraw/zinc/34/44/12/1062344412.db2.gz MNTCAJDEHUWXTL-SFHVURJKSA-N 1 0 462.602 2.772 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(CCc4ccccc4)n3CC(C)(C)C[NH+](C)C)CC2)c1C#N ZINC001290577632 1062382647 /nfs/dbraw/zinc/38/26/47/1062382647.db2.gz ORKKIWBAUAOYNZ-UHFFFAOYSA-N 1 0 489.672 2.891 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)c1C#N ZINC001290578286 1062384638 /nfs/dbraw/zinc/38/46/38/1062384638.db2.gz XVYACWWWPXIXNL-XMMPIXPASA-N 1 0 485.706 2.544 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(-c4cccnc4)n3CC[NH+](C(C)C)C(C)C)CC2)c1C#N ZINC001290578329 1062384976 /nfs/dbraw/zinc/38/49/76/1062384976.db2.gz ZKFUKPHJMZLGFW-UHFFFAOYSA-N 1 0 476.633 2.699 20 30 JFEDRO CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001294813569 1062488902 /nfs/dbraw/zinc/48/89/02/1062488902.db2.gz TWHRGFQZTIADPT-FCHUYYIVSA-N 1 0 479.629 2.956 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287158764 1062553519 /nfs/dbraw/zinc/55/35/19/1062553519.db2.gz VVETUNPOYUVAIZ-FCHUYYIVSA-N 1 0 470.643 2.951 20 30 JFEDRO CCCNC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001294863047 1062570578 /nfs/dbraw/zinc/57/05/78/1062570578.db2.gz IMOMGEADUCATPJ-MHZLTWQESA-N 1 0 492.672 2.689 20 30 JFEDRO CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287216311 1062691689 /nfs/dbraw/zinc/69/16/89/1062691689.db2.gz MYXAXPRQKILNRN-HSZRJFAPSA-N 1 0 496.635 2.682 20 30 JFEDRO CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287218377 1062699162 /nfs/dbraw/zinc/69/91/62/1062699162.db2.gz WMLNSFFKFJTZLB-HXUWFJFHSA-N 1 0 489.628 2.767 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1OC ZINC001294939904 1062723545 /nfs/dbraw/zinc/72/35/45/1062723545.db2.gz HEDXGPHHYILEIV-VQTJNVASSA-N 1 0 454.575 2.811 20 30 JFEDRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001287334174 1062811710 /nfs/dbraw/zinc/81/17/10/1062811710.db2.gz QIKKOVIZHXXQDT-HSZRJFAPSA-N 1 0 473.629 2.833 20 30 JFEDRO CC(C)C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)[NH+](C)C ZINC001287338931 1062816469 /nfs/dbraw/zinc/81/64/69/1062816469.db2.gz POAYZSASAVXGII-OAQYLSRUSA-N 1 0 465.602 2.516 20 30 JFEDRO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001290985537 1062871847 /nfs/dbraw/zinc/87/18/47/1062871847.db2.gz ITUPBIBQBFUNCH-XXBNENTESA-N 1 0 479.629 2.906 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 ZINC001291011627 1062913195 /nfs/dbraw/zinc/91/31/95/1062913195.db2.gz MXHCAKXEYNHKJF-SVFBPWRDSA-N 1 0 462.664 2.678 20 30 JFEDRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001291012633 1062917133 /nfs/dbraw/zinc/91/71/33/1062917133.db2.gz BZPAFAZEUDROQK-VXKWHMMOSA-N 1 0 465.646 2.953 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287471290 1062918955 /nfs/dbraw/zinc/91/89/55/1062918955.db2.gz KRMVLBGAUOCGMA-UHFFFAOYSA-N 1 0 464.662 2.701 20 30 JFEDRO N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)CC2)c(F)c1 ZINC001295148243 1062969227 /nfs/dbraw/zinc/96/92/27/1062969227.db2.gz YFHAOBWCDINGLW-LADGPHEKSA-N 1 0 450.558 2.913 20 30 JFEDRO N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)CC2)c(F)c1 ZINC001295148246 1062969291 /nfs/dbraw/zinc/96/92/91/1062969291.db2.gz YFHAOBWCDINGLW-UPVQGACJSA-N 1 0 450.558 2.913 20 30 JFEDRO C[C@H]1CCC[C@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)([NH+](C)C)C1 ZINC001291067907 1063015338 /nfs/dbraw/zinc/01/53/38/1063015338.db2.gz HBZFKOCAHIAKII-DFBJGRDBSA-N 1 0 465.602 2.518 20 30 JFEDRO C[C@@H]1CCC[C@@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)([NH+](C)C)C1 ZINC001291068535 1063016119 /nfs/dbraw/zinc/01/61/19/1063016119.db2.gz PIRUJZWVFPEOTI-QMHWCDLVSA-N 1 0 462.664 2.821 20 30 JFEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 ZINC001291094983 1063053608 /nfs/dbraw/zinc/05/36/08/1063053608.db2.gz CKXAHPZKCJHJOL-UNMCSNQZSA-N 1 0 499.685 2.847 20 30 JFEDRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 ZINC001291097284 1063060513 /nfs/dbraw/zinc/06/05/13/1063060513.db2.gz SFZUNUJIVIZEED-PZJWPPBQSA-N 1 0 486.642 2.732 20 30 JFEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102346 1063076699 /nfs/dbraw/zinc/07/66/99/1063076699.db2.gz LXUFVCGPQZJGJG-MSOLQXFVSA-N 1 0 465.668 2.529 20 30 JFEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001291102348 1063077679 /nfs/dbraw/zinc/07/76/79/1063077679.db2.gz LXUFVCGPQZJGJG-ROUUACIJSA-N 1 0 465.668 2.529 20 30 JFEDRO C[C@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291128640 1063164149 /nfs/dbraw/zinc/16/41/49/1063164149.db2.gz AAAXVTNKIJFDII-FQEVSTJZSA-N 1 0 479.629 2.943 20 30 JFEDRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295327038 1063219975 /nfs/dbraw/zinc/21/99/75/1063219975.db2.gz LQSSPRLPODQXGP-UHFFFAOYSA-N 1 0 494.688 2.785 20 30 JFEDRO CC1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001291179856 1063269825 /nfs/dbraw/zinc/26/98/25/1063269825.db2.gz OPMRLLUHAQELGV-JOCHJYFZSA-N 1 0 470.643 2.952 20 30 JFEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 ZINC001291188557 1063304453 /nfs/dbraw/zinc/30/44/53/1063304453.db2.gz MGZVCWSJROTWOM-SEPYTNNBSA-N 1 0 489.621 2.599 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295366271 1063329694 /nfs/dbraw/zinc/32/96/94/1063329694.db2.gz RNWXUQBWSGPOFQ-VXKWHMMOSA-N 1 0 492.672 2.680 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001295385257 1063360762 /nfs/dbraw/zinc/36/07/62/1063360762.db2.gz KNALGNFADKZHJN-HXUWFJFHSA-N 1 0 479.629 2.908 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001295385256 1063360911 /nfs/dbraw/zinc/36/09/11/1063360911.db2.gz KNALGNFADKZHJN-FQEVSTJZSA-N 1 0 479.629 2.908 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 ZINC001295386636 1063363488 /nfs/dbraw/zinc/36/34/88/1063363488.db2.gz VGMFIYCZJXKCAK-XXBNENTESA-N 1 0 478.601 2.770 20 30 JFEDRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)c1ccsc1 ZINC001295390975 1063372390 /nfs/dbraw/zinc/37/23/90/1063372390.db2.gz CKNQRLMOODPNJO-SFTDATJTSA-N 1 0 484.674 2.737 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001295465546 1063470263 /nfs/dbraw/zinc/47/02/63/1063470263.db2.gz ZCGRBJDZHRJLMU-FQEVSTJZSA-N 1 0 451.619 2.848 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001295465547 1063470313 /nfs/dbraw/zinc/47/03/13/1063470313.db2.gz ZCGRBJDZHRJLMU-HXUWFJFHSA-N 1 0 451.619 2.848 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001295466246 1063471004 /nfs/dbraw/zinc/47/10/04/1063471004.db2.gz UNDDDWDFPPIPQL-FQEVSTJZSA-N 1 0 451.619 2.848 20 30 JFEDRO C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001291225948 1063471905 /nfs/dbraw/zinc/47/19/05/1063471905.db2.gz ZMCHQGWTAAUUAG-YJBOKZPZSA-N 1 0 452.481 2.551 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCCCO2)CC1 ZINC001295482581 1063502779 /nfs/dbraw/zinc/50/27/79/1063502779.db2.gz UBTDHSQGRSMHRI-HSZRJFAPSA-N 1 0 479.629 2.766 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 ZINC001295491038 1063520671 /nfs/dbraw/zinc/52/06/71/1063520671.db2.gz NQONJPCDGGQCHS-UHFFFAOYSA-N 1 0 453.591 2.514 20 30 JFEDRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 ZINC001295494674 1063530364 /nfs/dbraw/zinc/53/03/64/1063530364.db2.gz RZWWCSJHHZOARU-NQIIRXRSSA-N 1 0 458.632 2.809 20 30 JFEDRO CC[NH+](CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001295542997 1063577605 /nfs/dbraw/zinc/57/76/05/1063577605.db2.gz GJMNCZIWVIYPJH-AIZNXBIQSA-N 1 0 452.603 2.772 20 30 JFEDRO CC[NH+](CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001295546348 1063581755 /nfs/dbraw/zinc/58/17/55/1063581755.db2.gz ZQRBZVKUVHWMNB-UHFFFAOYSA-N 1 0 479.629 2.624 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295555178 1063589849 /nfs/dbraw/zinc/58/98/49/1063589849.db2.gz UKSBNULVSWODEN-WIYYLYMNSA-N 1 0 467.618 2.869 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001295561225 1063594513 /nfs/dbraw/zinc/59/45/13/1063594513.db2.gz RXGYRWZPLABURT-GOSISDBHSA-N 1 0 465.581 2.746 20 30 JFEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCC(O)CC2)CC(C)(C)O1 ZINC001291278756 1063597398 /nfs/dbraw/zinc/59/73/98/1063597398.db2.gz BKACCTHNIUNMBD-LJQANCHMSA-N 1 0 468.602 2.579 20 30 JFEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287551 1063639519 /nfs/dbraw/zinc/63/95/19/1063639519.db2.gz DNLNMYNIJPIKOU-VAMGGRTRSA-N 1 0 472.565 2.787 20 30 JFEDRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC001291288842 1063652444 /nfs/dbraw/zinc/65/24/44/1063652444.db2.gz ZGLPGRNFQWWTGM-GLDPYIMESA-N 1 0 466.590 2.555 20 30 JFEDRO C[C@H]1C[N@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CCCO1 ZINC001291290390 1063663793 /nfs/dbraw/zinc/66/37/93/1063663793.db2.gz ZKGYFBFRGDBRQP-IBGZPJMESA-N 1 0 486.642 2.589 20 30 JFEDRO C[C@@H]1C[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 ZINC001291293105 1063682011 /nfs/dbraw/zinc/68/20/11/1063682011.db2.gz PAPXPUXNSSBDBK-WOJBJXKFSA-N 1 0 463.586 2.968 20 30 JFEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O ZINC001291294793 1063692642 /nfs/dbraw/zinc/69/26/42/1063692642.db2.gz PJOLRVOENQMBDG-WIYYLYMNSA-N 1 0 456.616 2.705 20 30 JFEDRO C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291315929 1063749522 /nfs/dbraw/zinc/74/95/22/1063749522.db2.gz ISTICDLNOXSPCN-SIKLNZKXSA-N 1 0 479.629 2.763 20 30 JFEDRO C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291315930 1063749577 /nfs/dbraw/zinc/74/95/77/1063749577.db2.gz ISTICDLNOXSPCN-UGKGYDQZSA-N 1 0 479.629 2.763 20 30 JFEDRO CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291365428 1063886295 /nfs/dbraw/zinc/88/62/95/1063886295.db2.gz IHKCSSSBSJNYNL-WIOPSUGQSA-N 1 0 451.619 2.582 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F ZINC001295866192 1063899601 /nfs/dbraw/zinc/89/96/01/1063899601.db2.gz VOYLGTJAKVSKOV-SFHVURJKSA-N 1 0 470.471 2.999 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001295879188 1063922259 /nfs/dbraw/zinc/92/22/59/1063922259.db2.gz XGUNZUDSPVVSNH-MOPGFXCFSA-N 1 0 458.632 2.808 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001295879190 1063922289 /nfs/dbraw/zinc/92/22/89/1063922289.db2.gz XGUNZUDSPVVSNH-RBUKOAKNSA-N 1 0 458.632 2.808 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC001296033687 1064092438 /nfs/dbraw/zinc/09/24/38/1064092438.db2.gz NJPPEXJVSKYTST-VQTJNVASSA-N 1 0 485.608 2.681 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001296048811 1064108728 /nfs/dbraw/zinc/10/87/28/1064108728.db2.gz YIUUIOVPJCETGY-GBESFXJTSA-N 1 0 461.611 2.667 20 30 JFEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296061188 1064126651 /nfs/dbraw/zinc/12/66/51/1064126651.db2.gz VSGMTCSNLSVNPW-SFTDATJTSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 ZINC001296063017 1064129299 /nfs/dbraw/zinc/12/92/99/1064129299.db2.gz RHZVBSAZGWYOSG-QHCPKHFHSA-N 1 0 479.629 2.670 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001296089226 1064160021 /nfs/dbraw/zinc/16/00/21/1064160021.db2.gz YZCSDZBFAPWHIA-LEWJYISDSA-N 1 0 456.616 2.563 20 30 JFEDRO COc1ccc(C2N=NC(=S)N2CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC001291641658 1064191370 /nfs/dbraw/zinc/19/13/70/1064191370.db2.gz SCNFAGNVEPPZPV-UHFFFAOYSA-N 1 0 450.568 2.704 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296135044 1064238373 /nfs/dbraw/zinc/23/83/73/1064238373.db2.gz VDXIAMNEEAQICQ-LEWJYISDSA-N 1 0 469.659 2.634 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001296135486 1064240213 /nfs/dbraw/zinc/24/02/13/1064240213.db2.gz ZGLGXLOAMNCRBN-LEWJYISDSA-N 1 0 451.619 2.991 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001291765546 1064246213 /nfs/dbraw/zinc/24/62/13/1064246213.db2.gz MUTMNEJCRBOMOZ-NQIIRXRSSA-N 1 0 467.618 2.869 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001291779679 1064267891 /nfs/dbraw/zinc/26/78/91/1064267891.db2.gz RKIIRSVOBHFQFO-HXUWFJFHSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001291782435 1064271254 /nfs/dbraw/zinc/27/12/54/1064271254.db2.gz OYTSDOJVXZHPTM-HXUWFJFHSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291785414 1064281048 /nfs/dbraw/zinc/28/10/48/1064281048.db2.gz VNXZRXIIVSXHAI-KNQAVFIVSA-N 1 0 488.658 2.863 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296185259 1064333069 /nfs/dbraw/zinc/33/30/69/1064333069.db2.gz OEBVQBNISPWFNH-JTSKRJEESA-N 1 0 460.989 2.709 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296194755 1064357590 /nfs/dbraw/zinc/35/75/90/1064357590.db2.gz FRZNHBKOVYARMB-UHFFFAOYSA-N 1 0 499.685 2.506 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296196855 1064369653 /nfs/dbraw/zinc/36/96/53/1064369653.db2.gz VIXWEBKDTGYAHT-FDFHNCONSA-N 1 0 481.645 2.616 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296202980 1064380023 /nfs/dbraw/zinc/38/00/23/1064380023.db2.gz JSBSTUZAABHCOD-XMMPIXPASA-N 1 0 473.572 2.856 20 30 JFEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001291950923 1064562462 /nfs/dbraw/zinc/56/24/62/1064562462.db2.gz AYZDYZOFXPIMQE-DHIUTWEWSA-N 1 0 463.586 2.683 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296307172 1064587790 /nfs/dbraw/zinc/58/77/90/1064587790.db2.gz CGKLJAGIWCVXEK-WOJBJXKFSA-N 1 0 464.618 2.789 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292134199 1064892758 /nfs/dbraw/zinc/89/27/58/1064892758.db2.gz QTDDDFXEAGPOBH-DHIUTWEWSA-N 1 0 479.629 2.762 20 30 JFEDRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001292160755 1064943914 /nfs/dbraw/zinc/94/39/14/1064943914.db2.gz CMOGCYRJRANJCZ-FGZHOGPDSA-N 1 0 465.602 2.740 20 30 JFEDRO CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001292252144 1065034094 /nfs/dbraw/zinc/03/40/94/1065034094.db2.gz NIFRTHYUYCNUIL-GOTSBHOMSA-N 1 0 481.645 2.758 20 30 JFEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001293068111 1065720183 /nfs/dbraw/zinc/72/01/83/1065720183.db2.gz CZYSPOUBVGTEIX-UHFFFAOYSA-N 1 0 453.591 2.949 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC[N@@H+]1CCOC ZINC001293541602 1066061442 /nfs/dbraw/zinc/06/14/42/1066061442.db2.gz KBEBHUSISWPTMM-YMPZKCBVSA-N 1 0 452.603 2.915 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001293559323 1066073574 /nfs/dbraw/zinc/07/35/74/1066073574.db2.gz AQYLFDIWHDFLTK-FYYLOGMGSA-N 1 0 465.646 2.952 20 30 JFEDRO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CC[NH+](CC)CC2)C[C@@H](C)O1 ZINC001293640915 1066157562 /nfs/dbraw/zinc/15/75/62/1066157562.db2.gz WHLOOKJEUADDRQ-GGAORHGYSA-N 1 0 481.645 2.760 20 30 JFEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001293758651 1066240865 /nfs/dbraw/zinc/24/08/65/1066240865.db2.gz ANMAODPPTWKHBC-VXKWHMMOSA-N 1 0 479.629 2.956 20 30 JFEDRO CCC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 ZINC001293837232 1066341998 /nfs/dbraw/zinc/34/19/98/1066341998.db2.gz TWRCOPBHBFVRMA-AREMUKBSSA-N 1 0 465.646 2.934 20 30 JFEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4c(C#N)c[nH]c4n3)CC2)c2ccccc21 ZINC001164686983 719675453 /nfs/dbraw/zinc/67/54/53/719675453.db2.gz ZHXAOPJHHZOFFQ-SFHVURJKSA-N 1 0 457.582 2.923 20 30 JFEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164714443 720169010 /nfs/dbraw/zinc/16/90/10/720169010.db2.gz PFTZQHDASYLOHU-URXFXBBRSA-N 1 0 472.597 2.785 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814616 720228924 /nfs/dbraw/zinc/22/89/24/720228924.db2.gz ZHWYEOAHWYLVRZ-UHFFFAOYSA-N 1 0 481.673 2.904 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728670 720572587 /nfs/dbraw/zinc/57/25/87/720572587.db2.gz KRFIQHUMIBYZSM-UHFFFAOYSA-N 1 0 451.647 2.952 20 30 JFEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751012 720840394 /nfs/dbraw/zinc/84/03/94/720840394.db2.gz XRYLRMKYPUSOTL-RCZSKKKRSA-N 1 0 462.602 2.909 20 30 JFEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751010 720840544 /nfs/dbraw/zinc/84/05/44/720840544.db2.gz XRYLRMKYPUSOTL-CZTZKLFOSA-N 1 0 462.602 2.909 20 30 JFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CC2 ZINC001164754470 720968462 /nfs/dbraw/zinc/96/84/62/720968462.db2.gz RUNZOZCWANLEDX-UHFFFAOYSA-N 1 0 467.917 2.636 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867207 721112508 /nfs/dbraw/zinc/11/25/08/721112508.db2.gz WVEYTJKMYFBECH-YADHBBJMSA-N 1 0 464.642 2.972 20 30 JFEDRO COc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c(Cl)n1 ZINC001164886483 721420962 /nfs/dbraw/zinc/42/09/62/721420962.db2.gz JEEWKRODHJRVIH-IERDGZPVSA-N 1 0 469.964 2.926 20 30 JFEDRO COc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c(C#N)c(Cl)n1 ZINC001164886481 721421508 /nfs/dbraw/zinc/42/15/08/721421508.db2.gz JEEWKRODHJRVIH-HRAATJIYSA-N 1 0 469.964 2.926 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890573 721422835 /nfs/dbraw/zinc/42/28/35/721422835.db2.gz TYLLOLMGZYJIMY-ATIYNZHBSA-N 1 0 484.717 2.863 20 30 JFEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)CC2)o1 ZINC001265132051 1059775561 /nfs/dbraw/zinc/77/55/61/1059775561.db2.gz SPKGNPWXWJRULF-UHFFFAOYSA-N 1 0 450.543 2.535 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001286271285 1060029818 /nfs/dbraw/zinc/02/98/18/1060029818.db2.gz RLRXXDTZRVUBCI-GOSISDBHSA-N 1 0 453.616 2.745 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC[NH+](CCC)CC1 ZINC001286278809 1060036849 /nfs/dbraw/zinc/03/68/49/1060036849.db2.gz GNNRIMJMKYLPPB-IBGZPJMESA-N 1 0 472.659 2.775 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCN1CC[NH+](CC)CC1 ZINC001286288505 1060045349 /nfs/dbraw/zinc/04/53/49/1060045349.db2.gz HHHKPXMDDKEAIO-OAQYLSRUSA-N 1 0 490.656 2.721 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001286301195 1060053442 /nfs/dbraw/zinc/05/34/42/1060053442.db2.gz AUIIZLOWANAXOX-XMMPIXPASA-N 1 0 491.684 2.893 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286302192 1060054339 /nfs/dbraw/zinc/05/43/39/1060054339.db2.gz RMZXGQVLYJMMLN-GHTZIAJQSA-N 1 0 473.021 2.911 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCN(C)CC(F)(F)F ZINC001286303833 1060056104 /nfs/dbraw/zinc/05/61/04/1060056104.db2.gz SSIYVZLTWFRKHX-HXUWFJFHSA-N 1 0 477.579 2.595 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001286310041 1060065306 /nfs/dbraw/zinc/06/53/06/1060065306.db2.gz AORNQRMODVFPLM-JTHBVZDNSA-N 1 0 494.640 2.729 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC2CC[NH+](CC)CC2)c1 ZINC001286311948 1060071958 /nfs/dbraw/zinc/07/19/58/1060071958.db2.gz SHTURYYZHXDVBZ-QFIPXVFZSA-N 1 0 464.614 2.960 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001286312016 1060072439 /nfs/dbraw/zinc/07/24/39/1060072439.db2.gz PVDBIVFQXAUWMX-SXWKCWPCSA-N 1 0 480.613 2.685 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001286312742 1060074071 /nfs/dbraw/zinc/07/40/71/1060074071.db2.gz ZPAVWRPEYMRUMA-FQEVSTJZSA-N 1 0 488.640 2.928 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)[NH+](C)C)c1 ZINC001286312675 1060074109 /nfs/dbraw/zinc/07/41/09/1060074109.db2.gz ZLNOSWIICUUTAV-INIZCTEOSA-N 1 0 451.600 2.640 20 30 JFEDRO C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286315818 1060076966 /nfs/dbraw/zinc/07/69/66/1060076966.db2.gz OHVJSAOWGCARKI-UHFFFAOYSA-N 1 0 472.659 2.966 20 30 JFEDRO C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001286323137 1060081765 /nfs/dbraw/zinc/08/17/65/1060081765.db2.gz ISPUYFNFOMVCBW-VQTJNVASSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001286337087 1060090604 /nfs/dbraw/zinc/09/06/04/1060090604.db2.gz WUDLFMFYWFMXHC-GOTSBHOMSA-N 1 0 466.678 2.938 20 30 JFEDRO C#CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001286349027 1060104316 /nfs/dbraw/zinc/10/43/16/1060104316.db2.gz RTAKBOYOYIKDRM-FQEVSTJZSA-N 1 0 477.613 2.543 20 30 JFEDRO C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001286353655 1060110386 /nfs/dbraw/zinc/11/03/86/1060110386.db2.gz ZIZDJVPISXQVOF-FQEVSTJZSA-N 1 0 458.607 2.674 20 30 JFEDRO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001286376878 1060140174 /nfs/dbraw/zinc/14/01/74/1060140174.db2.gz PNRBDODNUPKHII-JOCHJYFZSA-N 1 0 495.628 2.968 20 30 JFEDRO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001286377513 1060141347 /nfs/dbraw/zinc/14/13/47/1060141347.db2.gz YPORXBOJKUIENY-VQTJNVASSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C(C)C)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286380752 1060149275 /nfs/dbraw/zinc/14/92/75/1060149275.db2.gz DCIXGFUVVVIIEP-GMAHTHKFSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286384897 1060171359 /nfs/dbraw/zinc/17/13/59/1060171359.db2.gz KQCWNZQGXQNWPW-VAMGGRTRSA-N 1 0 463.692 2.959 20 30 JFEDRO C#CCN(c1nnc(C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385332 1060175294 /nfs/dbraw/zinc/17/52/94/1060175294.db2.gz WOTOYBSATBIDCL-DHIUTWEWSA-N 1 0 455.628 2.516 20 30 JFEDRO C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001286385974 1060182326 /nfs/dbraw/zinc/18/23/26/1060182326.db2.gz RUHJIIOPSNHRMZ-NRFANRHFSA-N 1 0 470.643 2.514 20 30 JFEDRO C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(C[NH+](CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286386798 1060192441 /nfs/dbraw/zinc/19/24/41/1060192441.db2.gz HQZQDMJSHAYFFG-HSZRJFAPSA-N 1 0 492.649 2.857 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2C)n1CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286387163 1060197701 /nfs/dbraw/zinc/19/77/01/1060197701.db2.gz OQZHPIDFYWDPHD-CTNGQTDRSA-N 1 0 455.628 2.612 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387681 1060203213 /nfs/dbraw/zinc/20/32/13/1060203213.db2.gz UBVGNGAGAIQQHF-UXHICEINSA-N 1 0 473.643 2.557 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387966 1060205043 /nfs/dbraw/zinc/20/50/43/1060205043.db2.gz JGTPUDYNKWFTIY-JOCHJYFZSA-N 1 0 457.644 2.865 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387988 1060205549 /nfs/dbraw/zinc/20/55/49/1060205549.db2.gz JPFJBSAJEXENCN-JOCHJYFZSA-N 1 0 455.628 2.620 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388601 1060213276 /nfs/dbraw/zinc/21/32/76/1060213276.db2.gz SGXJOAXLVBSZCX-OALUTQOASA-N 1 0 479.050 2.597 20 30 JFEDRO C#CCN(c1nnc(C2CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389278 1060220023 /nfs/dbraw/zinc/22/00/23/1060220023.db2.gz HEBIKZRXVJEILG-SIKLNZKXSA-N 1 0 455.628 2.693 20 30 JFEDRO C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395965 1060259206 /nfs/dbraw/zinc/25/92/06/1060259206.db2.gz USEQPFBXTCBFHO-JOCHJYFZSA-N 1 0 457.644 2.603 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC[N@@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397999 1060271350 /nfs/dbraw/zinc/27/13/50/1060271350.db2.gz VTUUCPXQFFOYHG-YADHBBJMSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286401289 1060282510 /nfs/dbraw/zinc/28/25/10/1060282510.db2.gz KETKJTRQHMUGAE-HXUWFJFHSA-N 1 0 467.639 2.932 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286408673 1060292273 /nfs/dbraw/zinc/29/22/73/1060292273.db2.gz FLRWRLOVVDCNOB-FGZHOGPDSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCC[NH+]1CCCC1 ZINC001286409098 1060293947 /nfs/dbraw/zinc/29/39/47/1060293947.db2.gz IDNAAWMVFSOKPW-JOCHJYFZSA-N 1 0 484.645 2.925 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286419453 1060307484 /nfs/dbraw/zinc/30/74/84/1060307484.db2.gz XSKKQTHJPRVRFA-QHCPKHFHSA-N 1 0 475.641 2.636 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001286425396 1060313979 /nfs/dbraw/zinc/31/39/79/1060313979.db2.gz YQMYKGOUDGRFDR-JOCHJYFZSA-N 1 0 471.594 2.748 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286428325 1060318049 /nfs/dbraw/zinc/31/80/49/1060318049.db2.gz RSZMHJRFAAJHOG-HSZRJFAPSA-N 1 0 482.579 2.553 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCC1 ZINC001286428223 1060318283 /nfs/dbraw/zinc/31/82/83/1060318283.db2.gz QWKWZHZKVOHJTL-QFIPXVFZSA-N 1 0 484.645 2.924 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286428487 1060318694 /nfs/dbraw/zinc/31/86/94/1060318694.db2.gz SUUXEKCTAGLMBT-LEWJYISDSA-N 1 0 496.612 2.945 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001286428407 1060318738 /nfs/dbraw/zinc/31/87/38/1060318738.db2.gz MRISTXPWEFNEIY-QFIPXVFZSA-N 1 0 450.606 2.745 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001286430692 1060320742 /nfs/dbraw/zinc/32/07/42/1060320742.db2.gz PWUOMUMLOOYQJH-JRFVFWCSSA-N 1 0 458.610 2.993 20 30 JFEDRO C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286435848 1060327061 /nfs/dbraw/zinc/32/70/61/1060327061.db2.gz LADIXOHGTPKCLA-JOCHJYFZSA-N 1 0 461.035 2.758 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286458192 1060339913 /nfs/dbraw/zinc/33/99/13/1060339913.db2.gz MJUWRVUWXRNLPM-JOCHJYFZSA-N 1 0 468.621 2.977 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001286462524 1060348694 /nfs/dbraw/zinc/34/86/94/1060348694.db2.gz LBCLRCLCLHYVFT-NRFANRHFSA-N 1 0 491.621 2.642 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001286462872 1060350285 /nfs/dbraw/zinc/35/02/85/1060350285.db2.gz ZCPVVFYEEHMPHT-UHFFFAOYSA-N 1 0 452.603 2.770 20 30 JFEDRO C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001286470459 1060362999 /nfs/dbraw/zinc/36/29/99/1060362999.db2.gz ZLVLLWRRHNSLAT-UHFFFAOYSA-N 1 0 463.630 2.777 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286471977 1060367679 /nfs/dbraw/zinc/36/76/79/1060367679.db2.gz CAGVUWZJODJMEG-SFHVURJKSA-N 1 0 474.451 2.911 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001286472842 1060371007 /nfs/dbraw/zinc/37/10/07/1060371007.db2.gz LXJWXQUKZPFJHW-UHFFFAOYSA-N 1 0 488.478 2.923 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001286472952 1060371824 /nfs/dbraw/zinc/37/18/24/1060371824.db2.gz XTAGNRKXMVTFMS-GMAHTHKFSA-N 1 0 458.651 2.554 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001286474123 1060381161 /nfs/dbraw/zinc/38/11/61/1060381161.db2.gz BDZLZZHTQQTCDD-JOCHJYFZSA-N 1 0 496.656 2.609 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286474575 1060385784 /nfs/dbraw/zinc/38/57/84/1060385784.db2.gz IAJMTVJMCILDCF-INIZCTEOSA-N 1 0 463.449 2.866 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001286479644 1060396674 /nfs/dbraw/zinc/39/66/74/1060396674.db2.gz VRUFINLDMFJZAD-OAQYLSRUSA-N 1 0 471.049 2.778 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001286482264 1060405611 /nfs/dbraw/zinc/40/56/11/1060405611.db2.gz OHGOQJQHGSCHEQ-UHFFFAOYSA-N 1 0 464.639 2.674 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286482464 1060405784 /nfs/dbraw/zinc/40/57/84/1060405784.db2.gz RNZVFLJJEWLTRY-QHCPKHFHSA-N 1 0 450.631 2.753 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286484047 1060413019 /nfs/dbraw/zinc/41/30/19/1060413019.db2.gz GTDASUKBZBILAV-UHFFFAOYSA-N 1 0 496.656 2.510 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001286484102 1060414089 /nfs/dbraw/zinc/41/40/89/1060414089.db2.gz DXPSUMFXMLFKSJ-JOCHJYFZSA-N 1 0 475.622 2.848 20 30 JFEDRO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286484202 1060415427 /nfs/dbraw/zinc/41/54/27/1060415427.db2.gz GEXORELCLCWGPP-RUZDIDTESA-N 1 0 474.657 2.760 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286484358 1060416129 /nfs/dbraw/zinc/41/61/29/1060416129.db2.gz MMPUSOPSNHAPQY-JOCHJYFZSA-N 1 0 466.630 2.741 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001286485874 1060430483 /nfs/dbraw/zinc/43/04/83/1060430483.db2.gz BFZPGCUTOXFYSU-UHFFFAOYSA-N 1 0 492.668 2.546 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286487618 1060443428 /nfs/dbraw/zinc/44/34/28/1060443428.db2.gz OYCIVTVIIFRAIZ-FQEVSTJZSA-N 1 0 493.612 2.941 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286489340 1060462014 /nfs/dbraw/zinc/46/20/14/1060462014.db2.gz OTOXCGOWODDGKS-UHFFFAOYSA-N 1 0 473.625 2.905 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286490407 1060475130 /nfs/dbraw/zinc/47/51/30/1060475130.db2.gz UBNRDJLQEKLDTH-QFIPXVFZSA-N 1 0 451.619 2.750 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001286491232 1060482688 /nfs/dbraw/zinc/48/26/88/1060482688.db2.gz JNRZLLIBAGGGCL-NRFANRHFSA-N 1 0 478.641 2.575 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286491385 1060484811 /nfs/dbraw/zinc/48/48/11/1060484811.db2.gz PPUSZJZOMMZFGT-XMMPIXPASA-N 1 0 489.599 2.672 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286491895 1060491221 /nfs/dbraw/zinc/49/12/21/1060491221.db2.gz BLXSAGLFPUWJLT-ONTIZHBOSA-N 1 0 456.635 2.606 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286493596 1060502973 /nfs/dbraw/zinc/50/29/73/1060502973.db2.gz OCMJMQGLIGKMAF-DNQXCXABSA-N 1 0 478.641 2.613 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286495283 1060510643 /nfs/dbraw/zinc/51/06/43/1060510643.db2.gz XWVJVEIGUFPULX-GMAHTHKFSA-N 1 0 470.662 2.854 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286495516 1060513127 /nfs/dbraw/zinc/51/31/27/1060513127.db2.gz YFQPECOIMNFCBL-IFMALSPDSA-N 1 0 456.635 2.750 20 30 JFEDRO C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286499408 1060521997 /nfs/dbraw/zinc/52/19/97/1060521997.db2.gz HCKDOKXQNYXVML-UHFFFAOYSA-N 1 0 493.475 2.951 20 30 JFEDRO C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286504614 1060529785 /nfs/dbraw/zinc/52/97/85/1060529785.db2.gz OOCIVPKTQWHJEZ-OALUTQOASA-N 1 0 479.654 2.960 20 30 JFEDRO C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286506485 1060534526 /nfs/dbraw/zinc/53/45/26/1060534526.db2.gz VWKFRTGJGZXZSX-NRFANRHFSA-N 1 0 469.655 2.793 20 30 JFEDRO C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286507048 1060535616 /nfs/dbraw/zinc/53/56/16/1060535616.db2.gz UQTVBUYPXFZDAV-JAXLGGSGSA-N 1 0 471.675 2.791 20 30 JFEDRO C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001286507352 1060536065 /nfs/dbraw/zinc/53/60/65/1060536065.db2.gz HPAOGVBBCLVQFZ-UHFFFAOYSA-N 1 0 467.687 2.625 20 30 JFEDRO C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286507527 1060536357 /nfs/dbraw/zinc/53/63/57/1060536357.db2.gz JSKULDRSLPBPSG-OYRHEFFESA-N 1 0 468.671 2.956 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001286516112 1060551581 /nfs/dbraw/zinc/55/15/81/1060551581.db2.gz WFJZVGCVYIEGRX-GPUOULLFSA-N 1 0 459.635 2.548 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001286516181 1060552106 /nfs/dbraw/zinc/55/21/06/1060552106.db2.gz CZFUXAFUJJATJM-AUSIDOKSSA-N 1 0 464.680 2.639 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286517060 1060552998 /nfs/dbraw/zinc/55/29/98/1060552998.db2.gz CHQFOXHARSONTL-PKTZIBPZSA-N 1 0 473.668 2.778 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001286518395 1060554340 /nfs/dbraw/zinc/55/43/40/1060554340.db2.gz SWTIHNOFLSDMMP-MHECFPHRSA-N 1 0 470.643 2.670 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001286518394 1060554395 /nfs/dbraw/zinc/55/43/95/1060554395.db2.gz SWTIHNOFLSDMMP-HOYKHHGWSA-N 1 0 470.643 2.670 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001286519053 1060554800 /nfs/dbraw/zinc/55/48/00/1060554800.db2.gz PUFCEIPZPCNHKG-KDYSTLNUSA-N 1 0 481.641 2.999 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001286527695 1060560145 /nfs/dbraw/zinc/56/01/45/1060560145.db2.gz IARXMDBYNBTINY-RUZDIDTESA-N 1 0 483.686 2.535 20 30 JFEDRO C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001286535715 1060573476 /nfs/dbraw/zinc/57/34/76/1060573476.db2.gz FKHGRBISYJWTRK-KRWDZBQOSA-N 1 0 452.401 2.524 20 30 JFEDRO C=C(Br)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001286538302 1060581142 /nfs/dbraw/zinc/58/11/42/1060581142.db2.gz LWAGPVLXMMRLFL-OAHLLOKOSA-N 1 0 488.390 2.659 20 30 JFEDRO C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001286541947 1060586402 /nfs/dbraw/zinc/58/64/02/1060586402.db2.gz GKDDTWFYJJIXKX-MRXNPFEDSA-N 1 0 497.463 2.725 20 30 JFEDRO C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001286544416 1060590977 /nfs/dbraw/zinc/59/09/77/1060590977.db2.gz VSDYGOWEPIGNOA-GOSISDBHSA-N 1 0 464.408 2.965 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286555741 1060623464 /nfs/dbraw/zinc/62/34/64/1060623464.db2.gz YTOIUPIFLHMWRI-FBPBVXOASA-N 1 0 477.650 2.673 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562925 1060643572 /nfs/dbraw/zinc/64/35/72/1060643572.db2.gz MVTAROCUPPAMOX-ZLNRFVROSA-N 1 0 474.694 2.788 20 30 JFEDRO C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001286573745 1060664470 /nfs/dbraw/zinc/66/44/70/1060664470.db2.gz OZNBAFDCUFEADA-UHFFFAOYSA-N 1 0 457.623 2.682 20 30 JFEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001286578756 1060665228 /nfs/dbraw/zinc/66/52/28/1060665228.db2.gz JJBVFYCPLRBQIG-YADHBBJMSA-N 1 0 452.603 2.637 20 30 JFEDRO C=C(C)CN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001286583390 1060673116 /nfs/dbraw/zinc/67/31/16/1060673116.db2.gz KSEVHRVFKPZXGC-BKMJKUGQSA-N 1 0 468.646 2.585 20 30 JFEDRO C=C(C)CN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001286583388 1060673154 /nfs/dbraw/zinc/67/31/54/1060673154.db2.gz KSEVHRVFKPZXGC-ATIYNZHBSA-N 1 0 468.646 2.585 20 30 JFEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001286596161 1060696919 /nfs/dbraw/zinc/69/69/19/1060696919.db2.gz YLCDPZIAFADTBL-UHFFFAOYSA-N 1 0 494.688 2.803 20 30 JFEDRO C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001286601582 1060702725 /nfs/dbraw/zinc/70/27/25/1060702725.db2.gz MSKQXHLLKPBEBV-SZPZYZBQSA-N 1 0 452.603 2.577 20 30 JFEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286601663 1060703356 /nfs/dbraw/zinc/70/33/56/1060703356.db2.gz SBRNSBKKFFXDJS-RDPSFJRHSA-N 1 0 477.613 2.684 20 30 JFEDRO C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001286601634 1060703572 /nfs/dbraw/zinc/70/35/72/1060703572.db2.gz NKPLXGWNTVTFGL-UHFFFAOYSA-N 1 0 452.603 2.737 20 30 JFEDRO C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286605138 1060711578 /nfs/dbraw/zinc/71/15/78/1060711578.db2.gz HLBJSBCTEDGXEC-NRFANRHFSA-N 1 0 454.619 2.763 20 30 JFEDRO C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286606971 1060715638 /nfs/dbraw/zinc/71/56/38/1060715638.db2.gz AADAWJVVLKZYAO-FQEVSTJZSA-N 1 0 478.638 2.710 20 30 JFEDRO C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001286609315 1060720037 /nfs/dbraw/zinc/72/00/37/1060720037.db2.gz ZUDODKQABVCWGD-VXKWHMMOSA-N 1 0 479.691 2.865 20 30 JFEDRO C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286622639 1060739403 /nfs/dbraw/zinc/73/94/03/1060739403.db2.gz JJFBFUFPSAIERM-OAQYLSRUSA-N 1 0 490.008 2.837 20 30 JFEDRO C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286624019 1060741715 /nfs/dbraw/zinc/74/17/15/1060741715.db2.gz QAQIYDAOHDUFPS-IBGZPJMESA-N 1 0 491.036 2.940 20 30 JFEDRO C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286637958 1060758242 /nfs/dbraw/zinc/75/82/42/1060758242.db2.gz QFEWMHCGPDZFGP-HSALFYBXSA-N 1 0 452.669 2.803 20 30 JFEDRO C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286637959 1060758342 /nfs/dbraw/zinc/75/83/42/1060758342.db2.gz QFEWMHCGPDZFGP-UFYCRDLUSA-N 1 0 452.669 2.803 20 30 JFEDRO C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286640642 1060760619 /nfs/dbraw/zinc/76/06/19/1060760619.db2.gz MAVPIXHYCNNDCJ-UHFFFAOYSA-N 1 0 460.648 2.940 20 30 JFEDRO C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001286648760 1060764524 /nfs/dbraw/zinc/76/45/24/1060764524.db2.gz MFXFEXSGZXOQBN-HXUWFJFHSA-N 1 0 457.648 2.733 20 30 JFEDRO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286651824 1060767293 /nfs/dbraw/zinc/76/72/93/1060767293.db2.gz MOUIOHOURYWBST-RTBURBONSA-N 1 0 452.669 2.945 20 30 JFEDRO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286651823 1060767353 /nfs/dbraw/zinc/76/73/53/1060767353.db2.gz MOUIOHOURYWBST-RBUKOAKNSA-N 1 0 452.669 2.945 20 30 JFEDRO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001286652549 1060768937 /nfs/dbraw/zinc/76/89/37/1060768937.db2.gz YVRWPVYWNQTJIO-MJGOQNOKSA-N 1 0 462.620 2.721 20 30 JFEDRO C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCOC)CC1 ZINC001286663898 1060776412 /nfs/dbraw/zinc/77/64/12/1060776412.db2.gz RFHYAIILZZNRMD-OAQYLSRUSA-N 1 0 492.665 2.957 20 30 JFEDRO C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286703534 1060816177 /nfs/dbraw/zinc/81/61/77/1060816177.db2.gz CMIFNPMUAZLPFB-OAQYLSRUSA-N 1 0 456.566 2.705 20 30 JFEDRO C=CCCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286710198 1060828978 /nfs/dbraw/zinc/82/89/78/1060828978.db2.gz PPXOWMPLPRHCKJ-UHFFFAOYSA-N 1 0 451.575 2.965 20 30 JFEDRO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286710778 1060829452 /nfs/dbraw/zinc/82/94/52/1060829452.db2.gz CWOBSBPKHNFKJV-YKSBVNFPSA-N 1 0 481.645 2.620 20 30 JFEDRO C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC001286731582 1060850269 /nfs/dbraw/zinc/85/02/69/1060850269.db2.gz QJAQHFMFYFUICN-UHFFFAOYSA-N 1 0 453.591 2.970 20 30 JFEDRO C=CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001286732619 1060850950 /nfs/dbraw/zinc/85/09/50/1060850950.db2.gz BPWDEBUFJRFNPJ-NRFANRHFSA-N 1 0 462.392 2.938 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)CC1)C(C)C ZINC001286750828 1060878320 /nfs/dbraw/zinc/87/83/20/1060878320.db2.gz HTQCIWNKOZQQER-OAQYLSRUSA-N 1 0 458.632 2.582 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC001286751070 1060878386 /nfs/dbraw/zinc/87/83/86/1060878386.db2.gz MGONBSWZGAVFGV-IYXIZZNPSA-N 1 0 459.635 2.865 20 30 JFEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C ZINC001286750769 1060878411 /nfs/dbraw/zinc/87/84/11/1060878411.db2.gz GWXWRTFKRJUKNU-QFIPXVFZSA-N 1 0 451.623 2.525 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C)C(C)C ZINC001286751885 1060879901 /nfs/dbraw/zinc/87/99/01/1060879901.db2.gz VENBWBGCOWNSIF-HSALFYBXSA-N 1 0 467.705 2.821 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C ZINC001286751881 1060879952 /nfs/dbraw/zinc/87/99/52/1060879952.db2.gz VBPUWMKPRSSJRJ-JOCHJYFZSA-N 1 0 497.688 2.661 20 30 JFEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001286776743 1060913178 /nfs/dbraw/zinc/91/31/78/1060913178.db2.gz WUYOUMFZHZJCGM-UHFFFAOYSA-N 1 0 465.646 2.524 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286782088 1060927720 /nfs/dbraw/zinc/92/77/20/1060927720.db2.gz JZTNTNPDZKTPJE-ZIAGYGMSSA-N 1 0 467.437 2.990 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001286783103 1060931915 /nfs/dbraw/zinc/93/19/15/1060931915.db2.gz GTVJBECTABXSFK-ICSRJNTNSA-N 1 0 468.602 2.718 20 30 JFEDRO C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001286797293 1060975925 /nfs/dbraw/zinc/97/59/25/1060975925.db2.gz VAXIGESRLWSSET-VQTJNVASSA-N 1 0 452.603 2.933 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001286798345 1060978632 /nfs/dbraw/zinc/97/86/32/1060978632.db2.gz JSBIIURZTYDWGH-VQTJNVASSA-N 1 0 453.591 2.971 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001286801278 1060985579 /nfs/dbraw/zinc/98/55/79/1060985579.db2.gz XRBNQOMVVMUZEC-BKSPAHHJSA-N 1 0 455.603 2.883 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286817761 1061033330 /nfs/dbraw/zinc/03/33/30/1061033330.db2.gz YNYGRTCLWOFHHA-LJQANCHMSA-N 1 0 489.642 2.628 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286822551 1061058172 /nfs/dbraw/zinc/05/81/72/1061058172.db2.gz FPYSQMKEEUUNDO-UHFFFAOYSA-N 1 0 491.658 2.777 20 30 JFEDRO C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001286824122 1061066298 /nfs/dbraw/zinc/06/62/98/1061066298.db2.gz UMLGHLZWCATNOJ-OYRHEFFESA-N 1 0 454.644 2.904 20 30 JFEDRO C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286827240 1061075044 /nfs/dbraw/zinc/07/50/44/1061075044.db2.gz HVGQRCMCKBRBQO-QFIPXVFZSA-N 1 0 451.644 2.952 20 30 JFEDRO C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286828427 1061076044 /nfs/dbraw/zinc/07/60/44/1061076044.db2.gz MSGBKFFREZVCEI-UGKGYDQZSA-N 1 0 469.659 2.638 20 30 JFEDRO C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286830826 1061078892 /nfs/dbraw/zinc/07/88/92/1061078892.db2.gz VKHJSZNOSXAMAO-SIKLNZKXSA-N 1 0 469.659 2.638 20 30 JFEDRO C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286832156 1061081116 /nfs/dbraw/zinc/08/11/16/1061081116.db2.gz PLXRUWCYNSONLU-UHFFFAOYSA-N 1 0 490.624 2.811 20 30 JFEDRO C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286833366 1061083839 /nfs/dbraw/zinc/08/38/39/1061083839.db2.gz AFJQDKGVOCQOBZ-FQEVSTJZSA-N 1 0 461.705 2.769 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286882882 1061311945 /nfs/dbraw/zinc/31/19/45/1061311945.db2.gz KCDNNSXWKBWYCJ-HXUWFJFHSA-N 1 0 479.629 2.908 20 30 JFEDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001286943267 1061601201 /nfs/dbraw/zinc/60/12/01/1061601201.db2.gz ZRRAGLOQFJQLQP-ISKFKSNPSA-N 1 0 479.629 2.526 20 30 JFEDRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 ZINC001294215398 1061724584 /nfs/dbraw/zinc/72/45/84/1061724584.db2.gz SZXMHHBAAMPTHV-MRXNPFEDSA-N 1 0 450.385 2.507 20 30 JFEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001286962426 1061737158 /nfs/dbraw/zinc/73/71/58/1061737158.db2.gz ZNORMUCUJQMEET-INIZCTEOSA-N 1 0 478.439 2.877 20 30 JFEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)cn3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001286962431 1061737260 /nfs/dbraw/zinc/73/72/60/1061737260.db2.gz ZNORMUCUJQMEET-MRXNPFEDSA-N 1 0 478.439 2.877 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCC[NH+](C)C ZINC001286966969 1061741929 /nfs/dbraw/zinc/74/19/29/1061741929.db2.gz BYPRDEWZONSRIC-SFHVURJKSA-N 1 0 463.627 2.567 20 30 JFEDRO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001294228278 1061743029 /nfs/dbraw/zinc/74/30/29/1061743029.db2.gz MRIPRHFZXYUFDS-UHFFFAOYSA-N 1 0 459.602 2.589 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001294229665 1061746399 /nfs/dbraw/zinc/74/63/99/1061746399.db2.gz OUNMGQUDLZUWDQ-PMACEKPBSA-N 1 0 454.531 2.575 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 ZINC001294308537 1061796407 /nfs/dbraw/zinc/79/64/07/1061796407.db2.gz LVRXYKJFHKZQHZ-ICSRJNTNSA-N 1 0 465.668 2.673 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001294317972 1061816480 /nfs/dbraw/zinc/81/64/80/1061816480.db2.gz ZPKDGGXGYBGESU-HXUWFJFHSA-N 1 0 453.639 2.735 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 ZINC001294318625 1061819317 /nfs/dbraw/zinc/81/93/17/1061819317.db2.gz UTZOTRQERHCJSQ-RTBURBONSA-N 1 0 471.631 2.653 20 30 JFEDRO CC(C)(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286986953 1061866193 /nfs/dbraw/zinc/86/61/93/1061866193.db2.gz YOQCUCQJTBMQSP-JOCHJYFZSA-N 1 0 479.629 2.528 20 30 JFEDRO CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287034255 1061995481 /nfs/dbraw/zinc/99/54/81/1061995481.db2.gz SIDWTXSCFVYJGQ-JOCHJYFZSA-N 1 0 480.661 2.697 20 30 JFEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287046593 1062029434 /nfs/dbraw/zinc/02/94/34/1062029434.db2.gz VEVZQPXHQWWHAC-OCOZRVBESA-N 1 0 491.640 2.900 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001294505997 1062042245 /nfs/dbraw/zinc/04/22/45/1062042245.db2.gz DQCYBTJTLKCPAT-UHFFFAOYSA-N 1 0 464.618 2.933 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294507847 1062046183 /nfs/dbraw/zinc/04/61/83/1062046183.db2.gz VQJMMSHBUQUKHB-PXDATVDWSA-N 1 0 492.672 2.537 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC001294637821 1062152838 /nfs/dbraw/zinc/15/28/38/1062152838.db2.gz MKYZKTMEWIAYIZ-UHFFFAOYSA-N 1 0 453.639 2.764 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OCC)CC2)C1 ZINC001294647786 1062184809 /nfs/dbraw/zinc/18/48/09/1062184809.db2.gz KJDITRAGWNMSAZ-HXUWFJFHSA-N 1 0 451.575 2.827 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294649184 1062190892 /nfs/dbraw/zinc/19/08/92/1062190892.db2.gz YXLMNHFURDNZQE-UNMCSNQZSA-N 1 0 470.643 2.952 20 30 JFEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294700427 1062265886 /nfs/dbraw/zinc/26/58/86/1062265886.db2.gz SOVRLLWHJWEEJK-LEWJYISDSA-N 1 0 456.616 2.705 20 30 JFEDRO CC(C)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)C[NH+]1CCCC1 ZINC001287092707 1062289527 /nfs/dbraw/zinc/28/95/27/1062289527.db2.gz AEBDYFVJLSXTOQ-QHCPKHFHSA-N 1 0 474.606 2.913 20 30 JFEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001287094042 1062293965 /nfs/dbraw/zinc/29/39/65/1062293965.db2.gz GTMDYUZQUJQVCA-ZCNNSNEGSA-N 1 0 487.649 2.900 20 30 JFEDRO CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001287099601 1062308446 /nfs/dbraw/zinc/30/84/46/1062308446.db2.gz JFKOOEIXMJOXAC-UHFFFAOYSA-N 1 0 466.508 2.679 20 30 JFEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294744738 1062336481 /nfs/dbraw/zinc/33/64/81/1062336481.db2.gz BRKXCNYLBSCWRB-QFIPXVFZSA-N 1 0 485.658 2.551 20 30 JFEDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001287120974 1062365520 /nfs/dbraw/zinc/36/55/20/1062365520.db2.gz SZXJNDAVEUXTQV-JOCHJYFZSA-N 1 0 477.613 2.732 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC001290577353 1062382114 /nfs/dbraw/zinc/38/21/14/1062382114.db2.gz NVNKMDKCYRRBQB-WOJBJXKFSA-N 1 0 497.692 2.606 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001290617669 1062472544 /nfs/dbraw/zinc/47/25/44/1062472544.db2.gz LPAPYPVJWZLWCE-UHFFFAOYSA-N 1 0 462.602 2.868 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001290626380 1062498350 /nfs/dbraw/zinc/49/83/50/1062498350.db2.gz WLNCIAKCINOGEP-SFTDATJTSA-N 1 0 454.623 2.769 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290633312 1062511099 /nfs/dbraw/zinc/51/10/99/1062511099.db2.gz QPWSJAMSVXEKRA-IMSXRSKXSA-N 1 0 454.623 2.769 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC001287155030 1062537309 /nfs/dbraw/zinc/53/73/09/1062537309.db2.gz DMBNPQSILUFXID-NRFANRHFSA-N 1 0 473.572 2.561 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159382 1062555420 /nfs/dbraw/zinc/55/54/20/1062555420.db2.gz ZQCJOBOAOLUBQG-DEOSSOPVSA-N 1 0 495.672 2.721 20 30 JFEDRO CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCCC1 ZINC001287161717 1062564668 /nfs/dbraw/zinc/56/46/68/1062564668.db2.gz YTQUENWIUDZSQI-YADHBBJMSA-N 1 0 470.643 2.809 20 30 JFEDRO CCCNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001294861121 1062567475 /nfs/dbraw/zinc/56/74/75/1062567475.db2.gz XXRCWONSQZCKKU-UHFFFAOYSA-N 1 0 486.624 2.764 20 30 JFEDRO CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001287218268 1062698109 /nfs/dbraw/zinc/69/81/09/1062698109.db2.gz RMZSRFIPRQGQRK-UHFFFAOYSA-N 1 0 474.613 2.983 20 30 JFEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1)[NH+](C)C ZINC001287321554 1062798456 /nfs/dbraw/zinc/79/84/56/1062798456.db2.gz JCOQPDKXEICQKC-UPVQGACJSA-N 1 0 465.646 2.952 20 30 JFEDRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001287342363 1062819680 /nfs/dbraw/zinc/81/96/80/1062819680.db2.gz VKOOMBBUZIETAF-NHCUHLMSSA-N 1 0 452.607 2.699 20 30 JFEDRO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001290967157 1062841355 /nfs/dbraw/zinc/84/13/55/1062841355.db2.gz PNYTWXOKBRLCQL-GOSISDBHSA-N 1 0 451.999 2.876 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001287474515 1062923267 /nfs/dbraw/zinc/92/32/67/1062923267.db2.gz BOANTYUXFGXPMB-FQEVSTJZSA-N 1 0 473.629 2.963 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001291015553 1062925901 /nfs/dbraw/zinc/92/59/01/1062925901.db2.gz SMVVLZRKYPGSSX-HBMCJLEFSA-N 1 0 479.629 2.764 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295162034 1062986192 /nfs/dbraw/zinc/98/61/92/1062986192.db2.gz MWXKYNXNHIBDGP-XQBPLPMBSA-N 1 0 470.643 2.951 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295165137 1062988415 /nfs/dbraw/zinc/98/84/15/1062988415.db2.gz MYAMCHLRKDFHAS-OAQYLSRUSA-N 1 0 456.616 2.706 20 30 JFEDRO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291067782 1063014950 /nfs/dbraw/zinc/01/49/50/1063014950.db2.gz FIJDXGSDAQRMTR-HHJKRLRDSA-N 1 0 467.618 2.939 20 30 JFEDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 ZINC001291097285 1063060211 /nfs/dbraw/zinc/06/02/11/1063060211.db2.gz SFZUNUJIVIZEED-TZIWHRDSSA-N 1 0 486.642 2.732 20 30 JFEDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001291097282 1063060410 /nfs/dbraw/zinc/06/04/10/1063060410.db2.gz SFZUNUJIVIZEED-CTNGQTDRSA-N 1 0 486.642 2.732 20 30 JFEDRO CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)[C@@H](C)C1=O ZINC001287752591 1063081279 /nfs/dbraw/zinc/08/12/79/1063081279.db2.gz NOWQZXZLIMKLJQ-XUZZJYLKSA-N 1 0 493.656 2.867 20 30 JFEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104923 1063085511 /nfs/dbraw/zinc/08/55/11/1063085511.db2.gz BURVAUZNZMLLHU-XQBPLPMBSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001291124217 1063142505 /nfs/dbraw/zinc/14/25/05/1063142505.db2.gz ZPLCEVLOVALQFC-HXUWFJFHSA-N 1 0 479.629 2.800 20 30 JFEDRO C[C@H]1CCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001291139737 1063204788 /nfs/dbraw/zinc/20/47/88/1063204788.db2.gz JMKKKFIVHXJRPB-VOLVWJTLSA-N 1 0 461.586 2.975 20 30 JFEDRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC001291140891 1063212009 /nfs/dbraw/zinc/21/20/09/1063212009.db2.gz GCPNMYPLPMDAPY-PRTQVNTJSA-N 1 0 499.685 2.752 20 30 JFEDRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001295327297 1063221807 /nfs/dbraw/zinc/22/18/07/1063221807.db2.gz QOMGTAGKRMXMOC-NRFANRHFSA-N 1 0 492.672 2.680 20 30 JFEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181892 1063277005 /nfs/dbraw/zinc/27/70/05/1063277005.db2.gz WGORQEUKBSWJAM-LJQANCHMSA-N 1 0 473.647 2.518 20 30 JFEDRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C ZINC001291194777 1063329025 /nfs/dbraw/zinc/32/90/25/1063329025.db2.gz DPTIQMWXPABOMU-OAQYLSRUSA-N 1 0 488.644 2.759 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295366269 1063329730 /nfs/dbraw/zinc/32/97/30/1063329730.db2.gz RNWXUQBWSGPOFQ-FCHUYYIVSA-N 1 0 492.672 2.680 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001295366654 1063330774 /nfs/dbraw/zinc/33/07/74/1063330774.db2.gz RBELRWGUNWFWOC-LJQANCHMSA-N 1 0 464.618 2.931 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001295367085 1063331575 /nfs/dbraw/zinc/33/15/75/1063331575.db2.gz SOMLZUUUMPAZFF-NFBKMPQASA-N 1 0 462.602 2.957 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001295367079 1063331629 /nfs/dbraw/zinc/33/16/29/1063331629.db2.gz SMLUPICXADTXAN-IBGZPJMESA-N 1 0 487.674 2.797 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001295367522 1063333015 /nfs/dbraw/zinc/33/30/15/1063333015.db2.gz UWBKBACIDDSNLB-LJQANCHMSA-N 1 0 459.602 2.972 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001295367519 1063333136 /nfs/dbraw/zinc/33/31/36/1063333136.db2.gz UWBKBACIDDSNLB-IBGZPJMESA-N 1 0 459.602 2.972 20 30 JFEDRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C ZINC001291195286 1063333068 /nfs/dbraw/zinc/33/30/68/1063333068.db2.gz NOEXDVOGNTWKDB-TZIWHRDSSA-N 1 0 467.622 2.625 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001295372335 1063338936 /nfs/dbraw/zinc/33/89/36/1063338936.db2.gz DCUHKWGKLVJESG-HXUWFJFHSA-N 1 0 459.602 2.659 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295383254 1063355879 /nfs/dbraw/zinc/35/58/79/1063355879.db2.gz AFZGEVJGCMLTCT-FQEVSTJZSA-N 1 0 477.617 2.519 20 30 JFEDRO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295397632 1063384143 /nfs/dbraw/zinc/38/41/43/1063384143.db2.gz PMLMJSKSAYKLFV-NRFANRHFSA-N 1 0 476.585 2.954 20 30 JFEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291218118 1063442430 /nfs/dbraw/zinc/44/24/30/1063442430.db2.gz NXRHUXLKBPAXPU-SIKLNZKXSA-N 1 0 479.629 2.763 20 30 JFEDRO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC001291223185 1063462656 /nfs/dbraw/zinc/46/26/56/1063462656.db2.gz BIXUOLABCPTTEE-BGYRXZFFSA-N 1 0 451.619 2.704 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001295482310 1063499872 /nfs/dbraw/zinc/49/98/72/1063499872.db2.gz JJKIIQJHDXSQJB-XZOQPEGZSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001295516449 1063552991 /nfs/dbraw/zinc/55/29/91/1063552991.db2.gz IWBAZOUIUUCSKO-VEGAHXMMSA-N 1 0 457.623 2.561 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001295531527 1063568298 /nfs/dbraw/zinc/56/82/98/1063568298.db2.gz VIGYCQUQPJDUSQ-UHFFFAOYSA-N 1 0 450.591 2.543 20 30 JFEDRO CC[NH+](CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 ZINC001295538365 1063573602 /nfs/dbraw/zinc/57/36/02/1063573602.db2.gz DODHDDLRUAGWGI-UHFFFAOYSA-N 1 0 468.602 2.846 20 30 JFEDRO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC(=O)N1C ZINC001291279598 1063599908 /nfs/dbraw/zinc/59/99/08/1063599908.db2.gz RECWUEKSZLEBPG-UWJYYQICSA-N 1 0 479.610 2.760 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC001295570844 1063606894 /nfs/dbraw/zinc/60/68/94/1063606894.db2.gz WILROMLRUVBKGO-UEVCKROQSA-N 1 0 468.602 2.843 20 30 JFEDRO C[C@@H]1C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)C[C@@H](C)O1 ZINC001291288844 1063652381 /nfs/dbraw/zinc/65/23/81/1063652381.db2.gz ZGLPGRNFQWWTGM-KHCICDEESA-N 1 0 466.590 2.555 20 30 JFEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O ZINC001291294791 1063691501 /nfs/dbraw/zinc/69/15/01/1063691501.db2.gz PJOLRVOENQMBDG-NQIIRXRSSA-N 1 0 456.616 2.705 20 30 JFEDRO C[C@H]1C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 ZINC001291295201 1063694395 /nfs/dbraw/zinc/69/43/95/1063694395.db2.gz VZLJZJHLBCYXGB-FDDCHVKYSA-N 1 0 460.529 2.939 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)C(C)C ZINC001295827121 1063836574 /nfs/dbraw/zinc/83/65/74/1063836574.db2.gz LQGPXCPYIMDBEW-UHFFFAOYSA-N 1 0 492.672 2.682 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001295827539 1063838088 /nfs/dbraw/zinc/83/80/88/1063838088.db2.gz PLQCHHILFXKKBQ-OAQYLSRUSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001295835001 1063851404 /nfs/dbraw/zinc/85/14/04/1063851404.db2.gz ZQAQFACGPWQVIH-QFIPXVFZSA-N 1 0 492.672 2.680 20 30 JFEDRO CC[N@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001295855335 1063884717 /nfs/dbraw/zinc/88/47/17/1063884717.db2.gz CRTNUYJKBHVZRJ-FDDCHVKYSA-N 1 0 479.601 2.759 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC001295865099 1063896058 /nfs/dbraw/zinc/89/60/58/1063896058.db2.gz BIZUUDDKOZATGY-CJFMBICVSA-N 1 0 468.602 2.843 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001295865365 1063897039 /nfs/dbraw/zinc/89/70/39/1063897039.db2.gz JFCDLKHIOYWKQI-UHFFFAOYSA-N 1 0 453.591 2.518 20 30 JFEDRO CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001291413785 1063989907 /nfs/dbraw/zinc/98/99/07/1063989907.db2.gz PQHOLKWFCUMFBC-NFBKMPQASA-N 1 0 479.629 2.622 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001296011933 1064072120 /nfs/dbraw/zinc/07/21/20/1064072120.db2.gz RCQAFMGUUSVYKR-BDTNDASRSA-N 1 0 481.645 2.616 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296011952 1064072255 /nfs/dbraw/zinc/07/22/55/1064072255.db2.gz RCQAFMGUUSVYKR-FKBYEOEOSA-N 1 0 481.645 2.616 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001296020839 1064082041 /nfs/dbraw/zinc/08/20/41/1064082041.db2.gz BNAXZEUCZRYXDA-UHFFFAOYSA-N 1 0 499.685 2.799 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001296021626 1064082297 /nfs/dbraw/zinc/08/22/97/1064082297.db2.gz JHPAXTAKXIKOKN-UHFFFAOYSA-N 1 0 499.685 2.799 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001296035149 1064094326 /nfs/dbraw/zinc/09/43/26/1064094326.db2.gz APLVCQSOTYTPLK-LIRRHRJNSA-N 1 0 450.360 2.830 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C#N)CC2)C1 ZINC001296048557 1064107894 /nfs/dbraw/zinc/10/78/94/1064107894.db2.gz XFKDIVRGHQVJNY-PMACEKPBSA-N 1 0 473.622 2.668 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001296052226 1064113497 /nfs/dbraw/zinc/11/34/97/1064113497.db2.gz PCPVRRYWZUKGQX-QFIPXVFZSA-N 1 0 479.629 2.765 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N ZINC001296066645 1064132584 /nfs/dbraw/zinc/13/25/84/1064132584.db2.gz DVFGSORMQGXLNW-QRVBRYPASA-N 1 0 461.611 2.667 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001296073763 1064139521 /nfs/dbraw/zinc/13/95/21/1064139521.db2.gz HLIYHJFNUSGKDH-LJQANCHMSA-N 1 0 482.608 2.628 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001296098386 1064171766 /nfs/dbraw/zinc/17/17/66/1064171766.db2.gz XLYLJDYJKSCETC-JOCHJYFZSA-N 1 0 465.602 2.662 20 30 JFEDRO CC[C@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001291644464 1064198244 /nfs/dbraw/zinc/19/82/44/1064198244.db2.gz XUFLNSQWGLULNC-BKBKCADHSA-N 1 0 457.623 2.876 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001296123858 1064216208 /nfs/dbraw/zinc/21/62/08/1064216208.db2.gz CZEGNHVIMMBMOZ-FCHUYYIVSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001296123860 1064216256 /nfs/dbraw/zinc/21/62/56/1064216256.db2.gz CZEGNHVIMMBMOZ-VXKWHMMOSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296127644 1064221991 /nfs/dbraw/zinc/22/19/91/1064221991.db2.gz WICJTGYHJCIBGG-PMACEKPBSA-N 1 0 451.619 2.846 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296130316 1064223702 /nfs/dbraw/zinc/22/37/02/1064223702.db2.gz CQUBBZQFSGVPSA-NRFANRHFSA-N 1 0 458.614 2.798 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001296132393 1064229685 /nfs/dbraw/zinc/22/96/85/1064229685.db2.gz BHYJTQMOJSUNFV-FQEVSTJZSA-N 1 0 463.586 2.984 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296133905 1064234909 /nfs/dbraw/zinc/23/49/09/1064234909.db2.gz LGIQPNRSAOVAHO-NRFANRHFSA-N 1 0 476.629 2.885 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001291759923 1064240874 /nfs/dbraw/zinc/24/08/74/1064240874.db2.gz IOGQLUMXXIEEPN-STWLZBDKSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001291759924 1064241018 /nfs/dbraw/zinc/24/10/18/1064241018.db2.gz IOGQLUMXXIEEPN-TYBLODHISA-N 1 0 492.672 2.536 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001291783124 1064274591 /nfs/dbraw/zinc/27/45/91/1064274591.db2.gz JIXWFIYFXUSOSU-IBGZPJMESA-N 1 0 493.591 2.715 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190399 1064338549 /nfs/dbraw/zinc/33/85/49/1064338549.db2.gz DAJLLZBBTRUDTP-CJFMBICVSA-N 1 0 453.610 2.893 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001296194743 1064357664 /nfs/dbraw/zinc/35/76/64/1064357664.db2.gz FRJGNZLYSRJCFQ-JOCHJYFZSA-N 1 0 451.619 2.707 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296194986 1064358830 /nfs/dbraw/zinc/35/88/30/1064358830.db2.gz UIQFEINEJLHAAK-OAQYLSRUSA-N 1 0 450.635 2.668 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296196664 1064368867 /nfs/dbraw/zinc/36/88/67/1064368867.db2.gz RIGZLSPRNYSVHY-NRFANRHFSA-N 1 0 451.619 2.850 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296196857 1064369479 /nfs/dbraw/zinc/36/94/79/1064369479.db2.gz VIXWEBKDTGYAHT-VSKRKVRLSA-N 1 0 481.645 2.616 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296202979 1064380002 /nfs/dbraw/zinc/38/00/02/1064380002.db2.gz JSBSTUZAABHCOD-DEOSSOPVSA-N 1 0 473.572 2.856 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296206187 1064393412 /nfs/dbraw/zinc/39/34/12/1064393412.db2.gz JIZLEPLWLWVLPP-UHFFFAOYSA-N 1 0 492.672 2.539 20 30 JFEDRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC001291962208 1064575904 /nfs/dbraw/zinc/57/59/04/1064575904.db2.gz ACQJBAUASOGYKS-FYYLOGMGSA-N 1 0 478.645 2.794 20 30 JFEDRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001296330029 1064629227 /nfs/dbraw/zinc/62/92/27/1064629227.db2.gz OROYPIYMXCVLCL-WOJBJXKFSA-N 1 0 499.666 2.699 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[N@H+](C)C(C)C ZINC001292118020 1064847364 /nfs/dbraw/zinc/84/73/64/1064847364.db2.gz UVKLZFWEPPRDER-UHFFFAOYSA-N 1 0 484.624 2.874 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H](C)[NH+](C)C ZINC001292139256 1064907585 /nfs/dbraw/zinc/90/75/85/1064907585.db2.gz UZGCDDYDNIWUEM-LAUBAEHRSA-N 1 0 453.591 2.596 20 30 JFEDRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001292160759 1064943934 /nfs/dbraw/zinc/94/39/34/1064943934.db2.gz CMOGCYRJRANJCZ-YADHBBJMSA-N 1 0 465.602 2.740 20 30 JFEDRO CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001292252145 1065034177 /nfs/dbraw/zinc/03/41/77/1065034177.db2.gz NIFRTHYUYCNUIL-PKTZIBPZSA-N 1 0 481.645 2.758 20 30 JFEDRO CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292276789 1065053435 /nfs/dbraw/zinc/05/34/35/1065053435.db2.gz UPEOMFASFWMBQB-YKSBVNFPSA-N 1 0 493.656 2.747 20 30 JFEDRO COc1cc([C@@H](C#N)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc(OC)c1OC ZINC001292362702 1065103999 /nfs/dbraw/zinc/10/39/99/1065103999.db2.gz OQKZYGYTSOLFCE-OAQYLSRUSA-N 1 0 453.539 2.911 20 30 JFEDRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CCNC(=O)C2N=CC=CC2=O)cc1 ZINC001292483198 1065205123 /nfs/dbraw/zinc/20/51/23/1065205123.db2.gz BYBJKJUGUJZZEW-YGCGMURISA-N 1 0 477.613 2.953 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292614161 1065342608 /nfs/dbraw/zinc/34/26/08/1065342608.db2.gz CTAYFOQZMZUQJP-VWPQPMDRSA-N 1 0 468.602 2.648 20 30 JFEDRO CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)s1 ZINC001292785783 1065547909 /nfs/dbraw/zinc/54/79/09/1065547909.db2.gz OQFNAZZMWFWSSA-LJQANCHMSA-N 1 0 466.615 2.826 20 30 JFEDRO CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCC[NH+]1CCOCC1 ZINC001293100938 1065749851 /nfs/dbraw/zinc/74/98/51/1065749851.db2.gz RBFZCOXIGGVTFQ-UHFFFAOYSA-N 1 0 458.010 2.805 20 30 JFEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001293365200 1065969830 /nfs/dbraw/zinc/96/98/30/1065969830.db2.gz RTBIZDUIXKJPLG-HSZRJFAPSA-N 1 0 499.685 2.989 20 30 JFEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001293376001 1065981423 /nfs/dbraw/zinc/98/14/23/1065981423.db2.gz BSPHRDWJDGTIRS-FCHUYYIVSA-N 1 0 479.629 2.956 20 30 JFEDRO CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC[N@@H+]1CCOC ZINC001293619969 1066136897 /nfs/dbraw/zinc/13/68/97/1066136897.db2.gz FEZKYASNNAKOHT-SFHVURJKSA-N 1 0 455.588 2.694 20 30 JFEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001293758653 1066240810 /nfs/dbraw/zinc/24/08/10/1066240810.db2.gz ANMAODPPTWKHBC-YADHBBJMSA-N 1 0 479.629 2.956 20 30 JFEDRO C#CCC[NH+]1CCC(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CC1 ZINC001293932276 1066412200 /nfs/dbraw/zinc/41/22/00/1066412200.db2.gz JBNDINQMHQILHF-UHFFFAOYSA-N 1 0 452.020 2.925 20 30 JFEDRO C#CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N3)CC1 ZINC001293933028 1066412739 /nfs/dbraw/zinc/41/27/39/1066412739.db2.gz NRHJADGVJHCOQM-OAQYLSRUSA-N 1 0 454.571 2.682 20 30 JFEDRO CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001294067361 1066538201 /nfs/dbraw/zinc/53/82/01/1066538201.db2.gz MICUBXBLZADVDH-DEOSSOPVSA-N 1 0 495.672 2.865 20 30 JFEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001294068726 1066539210 /nfs/dbraw/zinc/53/92/10/1066539210.db2.gz XDLBKIWXWTWQJX-JOCHJYFZSA-N 1 0 451.619 2.848 20 30 JFEDRO C=C(C)CNC(=S)NNC(=O)CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000048524558 569846188 /nfs/dbraw/zinc/84/61/88/569846188.db2.gz YKMHTZWTOAQKSU-UHFFFAOYSA-N 1 0 451.640 2.855 20 30 JFEDRO N#Cc1ccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)cc1 ZINC001164416485 718885977 /nfs/dbraw/zinc/88/59/77/718885977.db2.gz XBQQKBJUKZLFRG-UHFFFAOYSA-N 1 0 456.888 2.904 20 30 JFEDRO Cc1c(Cl)c(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1C#N ZINC001164714688 720172947 /nfs/dbraw/zinc/17/29/47/720172947.db2.gz RNLGOOXXKTXQOF-INIZCTEOSA-N 1 0 450.374 2.913 20 30 JFEDRO Cc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(C#C[Si](C)(C)C)c1 ZINC001164715652 720191663 /nfs/dbraw/zinc/19/16/63/720191663.db2.gz LXXFOJORIRQTRX-QFIPXVFZSA-N 1 0 452.679 2.964 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739179 720820913 /nfs/dbraw/zinc/82/09/13/720820913.db2.gz HNAVQNUWPRVYMV-NLWGTHIKSA-N 1 0 469.977 2.754 20 30 JFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2 ZINC001164750162 720955618 /nfs/dbraw/zinc/95/56/18/720955618.db2.gz KFOSHLJTRJGNPF-UHFFFAOYSA-N 1 0 469.908 2.650 20 30 JFEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC2)C1 ZINC001164875952 721292902 /nfs/dbraw/zinc/29/29/02/721292902.db2.gz IFFYCGNIELSEQR-UHFFFAOYSA-N 1 0 459.953 2.906 20 30 JFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC3)CC1 ZINC001164795598 721508615 /nfs/dbraw/zinc/50/86/15/721508615.db2.gz MKDFWLHKOGUATE-UHFFFAOYSA-N 1 0 456.328 2.769 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903492 721554356 /nfs/dbraw/zinc/55/43/56/721554356.db2.gz BNNLVEGJINETCE-MISYRCLQSA-N 1 0 461.497 2.891 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983116 722108716 /nfs/dbraw/zinc/10/87/16/722108716.db2.gz YHLQBJBPKUKGBR-YLJYHZDGSA-N 1 0 455.946 2.906 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979659 722142653 /nfs/dbraw/zinc/14/26/53/722142653.db2.gz LROTUGYIDKFYOR-MIZPHKNDSA-N 1 0 472.549 2.532 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981755 722150455 /nfs/dbraw/zinc/15/04/55/722150455.db2.gz QHDPYSYBXNVGEW-NJDAHSKKSA-N 1 0 464.570 2.548 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286269149 1060028475 /nfs/dbraw/zinc/02/84/75/1060028475.db2.gz CPWPJMZMAIUQBA-RTWAWAEBSA-N 1 0 472.597 2.594 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)CCOC ZINC001286298622 1060051502 /nfs/dbraw/zinc/05/15/02/1060051502.db2.gz MMMAGEPXJIXYFB-VQTJNVASSA-N 1 0 462.639 2.819 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286304449 1060056696 /nfs/dbraw/zinc/05/66/96/1060056696.db2.gz WOKCNTLPDPIYDA-QFIPXVFZSA-N 1 0 460.630 2.810 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001286308383 1060061349 /nfs/dbraw/zinc/06/13/49/1060061349.db2.gz ISMVYEJVYINYPM-WOJBJXKFSA-N 1 0 479.629 2.593 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001286308382 1060061476 /nfs/dbraw/zinc/06/14/76/1060061476.db2.gz ISMVYEJVYINYPM-VQTJNVASSA-N 1 0 479.629 2.593 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001286309347 1060063622 /nfs/dbraw/zinc/06/36/22/1060063622.db2.gz REXNJAJYXNOANH-UHFFFAOYSA-N 1 0 491.640 2.835 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2CC[NH+](CCC)CC2)c1 ZINC001286309956 1060065196 /nfs/dbraw/zinc/06/51/96/1060065196.db2.gz PXJUMBHKDWSWEW-UHFFFAOYSA-N 1 0 474.613 2.857 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001286310039 1060065273 /nfs/dbraw/zinc/06/52/73/1060065273.db2.gz AORNQRMODVFPLM-GMAHTHKFSA-N 1 0 494.640 2.729 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001286310299 1060066898 /nfs/dbraw/zinc/06/68/98/1060066898.db2.gz SIWYEDKQUWHMTH-FQEVSTJZSA-N 1 0 472.597 2.913 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001286310647 1060067905 /nfs/dbraw/zinc/06/79/05/1060067905.db2.gz XCDLWUAPKWTGPK-HSZRJFAPSA-N 1 0 491.640 2.798 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001286311973 1060072279 /nfs/dbraw/zinc/07/22/79/1060072279.db2.gz SNIVNEOFNHLMHP-RBBKRZOGSA-N 1 0 450.587 2.569 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001286312352 1060073546 /nfs/dbraw/zinc/07/35/46/1060073546.db2.gz WWQLVIJHEBEGMW-RPWUZVMVSA-N 1 0 494.640 2.933 20 30 JFEDRO C#CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001286323133 1060081659 /nfs/dbraw/zinc/08/16/59/1060081659.db2.gz ISPUYFNFOMVCBW-PMACEKPBSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001286336862 1060090533 /nfs/dbraw/zinc/09/05/33/1060090533.db2.gz PJGRNAKTLLXRFL-DEOSSOPVSA-N 1 0 461.614 2.799 20 30 JFEDRO C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001286339785 1060095087 /nfs/dbraw/zinc/09/50/87/1060095087.db2.gz ZEDGSLBBUCDQHG-ONTIZHBOSA-N 1 0 472.659 2.791 20 30 JFEDRO C#CCCCn1c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286360985 1060121772 /nfs/dbraw/zinc/12/17/72/1060121772.db2.gz XKVPMHFSWRSTIJ-SANMLTNESA-N 1 0 472.678 2.727 20 30 JFEDRO C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001286379326 1060143476 /nfs/dbraw/zinc/14/34/76/1060143476.db2.gz NTMOQRSJUIBILL-DHIUTWEWSA-N 1 0 450.631 2.917 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382384 1060153997 /nfs/dbraw/zinc/15/39/97/1060153997.db2.gz IZDDZPHMLICOLB-RBBKRZOGSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382412 1060155105 /nfs/dbraw/zinc/15/51/05/1060155105.db2.gz JCYFPWVBYISGDF-YLJYHZDGSA-N 1 0 462.019 2.567 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286383261 1060160955 /nfs/dbraw/zinc/16/09/55/1060160955.db2.gz LXQMEEJZOFOGEL-IRLDBZIGSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286385812 1060180001 /nfs/dbraw/zinc/18/00/01/1060180001.db2.gz ZQXBHIFWRZCYRS-LNLFQRSKSA-N 1 0 475.684 2.708 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387548 1060201449 /nfs/dbraw/zinc/20/14/49/1060201449.db2.gz GIGGOISUVDZRFS-IBGZPJMESA-N 1 0 450.008 2.565 20 30 JFEDRO C#CCN(c1nnc(-c2cccc3cccnc32)n1C[C@@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387789 1060203921 /nfs/dbraw/zinc/20/39/21/1060203921.db2.gz ICGQXPHNRJZKBP-TZIWHRDSSA-N 1 0 480.638 2.850 20 30 JFEDRO C#CCN(c1nnc(C2CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286389279 1060219824 /nfs/dbraw/zinc/21/98/24/1060219824.db2.gz HEBIKZRXVJEILG-UGKGYDQZSA-N 1 0 455.628 2.693 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286389227 1060219893 /nfs/dbraw/zinc/21/98/93/1060219893.db2.gz ZMMZJXQOSORLOH-YADHBBJMSA-N 1 0 455.628 2.619 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286390706 1060227102 /nfs/dbraw/zinc/22/71/02/1060227102.db2.gz BDWBDCUGGQNFTI-FKBYEOEOSA-N 1 0 477.675 2.657 20 30 JFEDRO C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286391980 1060235574 /nfs/dbraw/zinc/23/55/74/1060235574.db2.gz KLIAMZXHKAGKGJ-RPWUZVMVSA-N 1 0 483.682 2.955 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](CC)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286392922 1060240637 /nfs/dbraw/zinc/24/06/37/1060240637.db2.gz DBEKBYCEXNMCEG-VXKWHMMOSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(c1nnc(C2CCCC2)n1Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001286393139 1060241921 /nfs/dbraw/zinc/24/19/21/1060241921.db2.gz KFCURCAFJQOGNH-JOCHJYFZSA-N 1 0 485.654 2.551 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286393890 1060244651 /nfs/dbraw/zinc/24/46/51/1060244651.db2.gz LIYQWUDWOUYBGV-GHTZIAJQSA-N 1 0 478.062 2.879 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286393893 1060246162 /nfs/dbraw/zinc/24/61/62/1060246162.db2.gz LIYQWUDWOUYBGV-WIYYLYMNSA-N 1 0 478.062 2.879 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001286395764 1060258222 /nfs/dbraw/zinc/25/82/22/1060258222.db2.gz UQBYZIRCNIBBPP-SFTDATJTSA-N 1 0 473.618 2.509 20 30 JFEDRO C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001286397055 1060266197 /nfs/dbraw/zinc/26/61/97/1060266197.db2.gz KEHPAMBIWQHZDA-JOCHJYFZSA-N 1 0 455.566 2.864 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC[N@@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397995 1060271237 /nfs/dbraw/zinc/27/12/37/1060271237.db2.gz VTUUCPXQFFOYHG-FGZHOGPDSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286399017 1060278410 /nfs/dbraw/zinc/27/84/10/1060278410.db2.gz WNHJADVKPONWSK-YMPZKCBVSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286400819 1060281623 /nfs/dbraw/zinc/28/16/23/1060281623.db2.gz LEPNVNFYNZRZAM-QFIPXVFZSA-N 1 0 455.610 2.901 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286400817 1060281687 /nfs/dbraw/zinc/28/16/87/1060281687.db2.gz LEPNVNFYNZRZAM-JOCHJYFZSA-N 1 0 455.610 2.901 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001286405002 1060287863 /nfs/dbraw/zinc/28/78/63/1060287863.db2.gz YIKWBZKFARIPPJ-KRWDZBQOSA-N 1 0 474.378 2.888 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286405942 1060288868 /nfs/dbraw/zinc/28/88/68/1060288868.db2.gz LVGQPCWHFHPCPW-OAQYLSRUSA-N 1 0 452.990 2.614 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+](C)C1CCCCC1 ZINC001286410154 1060296308 /nfs/dbraw/zinc/29/63/08/1060296308.db2.gz XERGHLOHWNDKBE-UHFFFAOYSA-N 1 0 457.582 2.529 20 30 JFEDRO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001286416388 1060304000 /nfs/dbraw/zinc/30/40/00/1060304000.db2.gz QSWXRLGDSSRAJD-YADARESESA-N 1 0 452.628 2.853 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001286419278 1060307594 /nfs/dbraw/zinc/30/75/94/1060307594.db2.gz QFRKGPCZFICUNA-UHFFFAOYSA-N 1 0 461.614 2.971 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001286424134 1060312122 /nfs/dbraw/zinc/31/21/22/1060312122.db2.gz ZPVVCBTXLAULHI-DHLKQENFSA-N 1 0 453.562 2.835 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001286425506 1060314059 /nfs/dbraw/zinc/31/40/59/1060314059.db2.gz MRRRIOXYXQNWKO-UHFFFAOYSA-N 1 0 454.578 2.808 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286426230 1060315890 /nfs/dbraw/zinc/31/58/90/1060315890.db2.gz OMQDLPGBZLKMNY-LEWJYISDSA-N 1 0 471.609 2.775 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286426233 1060315974 /nfs/dbraw/zinc/31/59/74/1060315974.db2.gz OMQDLPGBZLKMNY-SFTDATJTSA-N 1 0 471.609 2.775 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286428161 1060318112 /nfs/dbraw/zinc/31/81/12/1060318112.db2.gz PXMUOTWUZYZXGS-VXKWHMMOSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286430662 1060321004 /nfs/dbraw/zinc/32/10/04/1060321004.db2.gz IPSYZMVPCISGIJ-PKTZIBPZSA-N 1 0 467.639 2.726 20 30 JFEDRO C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001286434159 1060325928 /nfs/dbraw/zinc/32/59/28/1060325928.db2.gz GJFQTGQFURESKE-UHFFFAOYSA-N 1 0 477.609 2.974 20 30 JFEDRO C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286436213 1060327669 /nfs/dbraw/zinc/32/76/69/1060327669.db2.gz XCQBUMNOFYNZBL-UHFFFAOYSA-N 1 0 473.021 2.556 20 30 JFEDRO C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286451783 1060336029 /nfs/dbraw/zinc/33/60/29/1060336029.db2.gz AUFRHSYVRBTHKL-NJDAHSKKSA-N 1 0 458.651 2.599 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@]2(OCC)CCOC2)n1CC1([NH+](C)C)CCOCC1 ZINC001286453753 1060337201 /nfs/dbraw/zinc/33/72/01/1060337201.db2.gz BMVMBDCJODFNIZ-SANMLTNESA-N 1 0 485.604 2.820 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001286458553 1060340969 /nfs/dbraw/zinc/34/09/69/1060340969.db2.gz XLMOTXOORZGBGU-UNMCSNQZSA-N 1 0 475.634 2.935 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001286460754 1060345590 /nfs/dbraw/zinc/34/55/90/1060345590.db2.gz JDVJQODQJOMEGW-FQEVSTJZSA-N 1 0 452.578 2.911 20 30 JFEDRO C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286461755 1060347134 /nfs/dbraw/zinc/34/71/34/1060347134.db2.gz WTKQIHHGXMXASR-LJQANCHMSA-N 1 0 453.591 2.522 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001286466187 1060353535 /nfs/dbraw/zinc/35/35/35/1060353535.db2.gz XGEQOFIQCKHDJM-ZEQRLZLVSA-N 1 0 467.614 2.897 20 30 JFEDRO C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286466667 1060354661 /nfs/dbraw/zinc/35/46/61/1060354661.db2.gz IGDNMGCQCYAMTL-FCHUYYIVSA-N 1 0 480.661 2.659 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001286470493 1060362707 /nfs/dbraw/zinc/36/27/07/1060362707.db2.gz WXPRNCPLPYULBT-ISJGIBHGSA-N 1 0 495.668 2.898 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001286473015 1060372635 /nfs/dbraw/zinc/37/26/35/1060372635.db2.gz NNQCSYYVHWSSJE-SFHVURJKSA-N 1 0 457.420 2.947 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286474165 1060381043 /nfs/dbraw/zinc/38/10/43/1060381043.db2.gz CVOCBYRNTXOPSD-UHFFFAOYSA-N 1 0 454.619 2.695 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286474576 1060385864 /nfs/dbraw/zinc/38/58/64/1060385864.db2.gz IAJMTVJMCILDCF-MRXNPFEDSA-N 1 0 463.449 2.866 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001286475003 1060388620 /nfs/dbraw/zinc/38/86/20/1060388620.db2.gz UNAFKMQWZBCSON-OAQYLSRUSA-N 1 0 464.570 2.613 20 30 JFEDRO C#CCN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[NH+]2CCCCC2)CC1 ZINC001286479292 1060396155 /nfs/dbraw/zinc/39/61/55/1060396155.db2.gz GRAPBMZGULXBJM-UHFFFAOYSA-N 1 0 485.677 2.634 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286480013 1060398429 /nfs/dbraw/zinc/39/84/29/1060398429.db2.gz JOLSALIDJFNBBS-SFTDATJTSA-N 1 0 485.677 2.631 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286484278 1060415342 /nfs/dbraw/zinc/41/53/42/1060415342.db2.gz HJIHBGZAZBQUQF-QHCPKHFHSA-N 1 0 450.631 2.961 20 30 JFEDRO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286484642 1060418475 /nfs/dbraw/zinc/41/84/75/1060418475.db2.gz MTUGUNYRJAFPJZ-NRFANRHFSA-N 1 0 483.686 2.535 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286485553 1060426448 /nfs/dbraw/zinc/42/64/48/1060426448.db2.gz PSILAMCJHVWJSD-FDFHNCONSA-N 1 0 485.677 2.536 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286486177 1060433592 /nfs/dbraw/zinc/43/35/92/1060433592.db2.gz BZTSFUAUARKJDW-SFHVURJKSA-N 1 0 455.006 2.906 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001286489372 1060462001 /nfs/dbraw/zinc/46/20/01/1060462001.db2.gz QGDVGAIHUOSFOI-UHFFFAOYSA-N 1 0 485.032 2.675 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286489412 1060462971 /nfs/dbraw/zinc/46/29/71/1060462971.db2.gz RKAFGZQXPPABSR-DEOSSOPVSA-N 1 0 478.641 2.576 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001286489438 1060463952 /nfs/dbraw/zinc/46/39/52/1060463952.db2.gz SINUXKSBUXGUFD-NRFANRHFSA-N 1 0 494.640 2.803 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001286489682 1060467676 /nfs/dbraw/zinc/46/76/76/1060467676.db2.gz CBKSTEXSFUTADO-HXUWFJFHSA-N 1 0 488.640 2.774 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286489784 1060468720 /nfs/dbraw/zinc/46/87/20/1060468720.db2.gz BUCGXNOYNOLHEE-UHFFFAOYSA-N 1 0 454.541 2.786 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001286489935 1060469107 /nfs/dbraw/zinc/46/91/07/1060469107.db2.gz DJZCYKJEEWXQJC-QFIPXVFZSA-N 1 0 452.578 2.953 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001286490068 1060471321 /nfs/dbraw/zinc/47/13/21/1060471321.db2.gz GOCMCVUHMNHFAW-UHFFFAOYSA-N 1 0 478.641 2.890 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286491046 1060480094 /nfs/dbraw/zinc/48/00/94/1060480094.db2.gz CDNWTLBICCBALH-UHFFFAOYSA-N 1 0 469.033 2.972 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001286491233 1060482705 /nfs/dbraw/zinc/48/27/05/1060482705.db2.gz JNRZLLIBAGGGCL-OAQYLSRUSA-N 1 0 478.641 2.575 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286491898 1060491124 /nfs/dbraw/zinc/49/11/24/1060491124.db2.gz BLXSAGLFPUWJLT-SJBKTWHCSA-N 1 0 456.635 2.606 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286492100 1060493032 /nfs/dbraw/zinc/49/30/32/1060493032.db2.gz HBIOCLWAHGDVNP-NRFANRHFSA-N 1 0 494.640 2.563 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286492238 1060495051 /nfs/dbraw/zinc/49/50/51/1060495051.db2.gz FLSODADAISTRID-NRFANRHFSA-N 1 0 450.631 2.963 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286493096 1060501079 /nfs/dbraw/zinc/50/10/79/1060501079.db2.gz DRLCYSRCAKTTSZ-GOTSBHOMSA-N 1 0 492.668 2.528 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286493841 1060504339 /nfs/dbraw/zinc/50/43/39/1060504339.db2.gz QIDUNGOSFQTQJM-RBBKRZOGSA-N 1 0 470.662 2.648 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286493894 1060504693 /nfs/dbraw/zinc/50/46/93/1060504693.db2.gz IYYKDEZYBDLWHL-UHFFFAOYSA-N 1 0 478.641 2.522 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCCC2)CC1 ZINC001286494509 1060507493 /nfs/dbraw/zinc/50/74/93/1060507493.db2.gz MWJNEWRMGPCLDD-UHFFFAOYSA-N 1 0 482.654 2.641 20 30 JFEDRO C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001286494503 1060507673 /nfs/dbraw/zinc/50/76/73/1060507673.db2.gz MUUOVKACIXUABZ-JOCHJYFZSA-N 1 0 466.655 2.981 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286495359 1060512223 /nfs/dbraw/zinc/51/22/23/1060512223.db2.gz ZIYWCMBPGXSYBK-GMAHTHKFSA-N 1 0 482.604 2.580 20 30 JFEDRO C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286498746 1060519446 /nfs/dbraw/zinc/51/94/46/1060519446.db2.gz LNPYDDWZZXPXNJ-JOCHJYFZSA-N 1 0 466.655 2.617 20 30 JFEDRO C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286500776 1060525322 /nfs/dbraw/zinc/52/53/22/1060525322.db2.gz YMSRZQPVJRPIAM-IBGZPJMESA-N 1 0 470.599 2.768 20 30 JFEDRO C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001286501367 1060526664 /nfs/dbraw/zinc/52/66/64/1060526664.db2.gz VTOIXVLOEQAOHC-UHFFFAOYSA-N 1 0 461.035 2.909 20 30 JFEDRO C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286504791 1060530450 /nfs/dbraw/zinc/53/04/50/1060530450.db2.gz UGHCDMBXWNAEOI-NZQKXSOJSA-N 1 0 496.681 2.699 20 30 JFEDRO C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286507052 1060535436 /nfs/dbraw/zinc/53/54/36/1060535436.db2.gz UQTVBUYPXFZDAV-TUNNFDKTSA-N 1 0 471.675 2.791 20 30 JFEDRO C#CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCSCC1 ZINC001286507688 1060537001 /nfs/dbraw/zinc/53/70/01/1060537001.db2.gz CLSXYVRTMBWRCI-UHFFFAOYSA-N 1 0 456.685 2.562 20 30 JFEDRO C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001286535716 1060573893 /nfs/dbraw/zinc/57/38/93/1060573893.db2.gz FKHGRBISYJWTRK-QGZVFWFLSA-N 1 0 452.401 2.524 20 30 JFEDRO C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001286540195 1060583783 /nfs/dbraw/zinc/58/37/83/1060583783.db2.gz KNYIJAURECZBPY-UHFFFAOYSA-N 1 0 485.434 2.970 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286547997 1060599506 /nfs/dbraw/zinc/59/95/06/1060599506.db2.gz QYRZOYJZMRGCKU-JVSAHFFESA-N 1 0 498.676 2.650 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001286561748 1060637707 /nfs/dbraw/zinc/63/77/07/1060637707.db2.gz OHOZGLRVGSQGFB-URVUXULASA-N 1 0 455.607 2.653 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562920 1060643540 /nfs/dbraw/zinc/64/35/40/1060643540.db2.gz MVTAROCUPPAMOX-VABKMULXSA-N 1 0 474.694 2.788 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286604152 1060707785 /nfs/dbraw/zinc/70/77/85/1060707785.db2.gz GMOWKRSACLPOCQ-WOJBJXKFSA-N 1 0 490.674 2.707 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604262 1060708777 /nfs/dbraw/zinc/70/87/77/1060708777.db2.gz QNPGCIWBNCZLBI-PXDATVDWSA-N 1 0 491.640 2.788 20 30 JFEDRO C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286612216 1060723103 /nfs/dbraw/zinc/72/31/03/1060723103.db2.gz WULUXGBUPSYSBA-JOCHJYFZSA-N 1 0 473.691 2.831 20 30 JFEDRO C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286613053 1060725551 /nfs/dbraw/zinc/72/55/51/1060725551.db2.gz OWPLNBLCHSCMEI-UHFFFAOYSA-N 1 0 459.566 2.890 20 30 JFEDRO C=C(Cn1c(COCC)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)c1ccccc1 ZINC001286618993 1060734315 /nfs/dbraw/zinc/73/43/15/1060734315.db2.gz LAUYKKPFKRUBNQ-URXFXBBRSA-N 1 0 466.630 2.907 20 30 JFEDRO C=C(Cl)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286621746 1060738528 /nfs/dbraw/zinc/73/85/28/1060738528.db2.gz IJVLGZZZOZKOPB-UHFFFAOYSA-N 1 0 496.841 2.543 20 30 JFEDRO C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001286632655 1060753258 /nfs/dbraw/zinc/75/32/58/1060753258.db2.gz LCDWAAMPGUKYCU-UHFFFAOYSA-N 1 0 475.947 2.983 20 30 JFEDRO C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286636163 1060756686 /nfs/dbraw/zinc/75/66/86/1060756686.db2.gz NDJFHYVKSDIHPT-IBGZPJMESA-N 1 0 489.020 2.751 20 30 JFEDRO C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001286637827 1060758421 /nfs/dbraw/zinc/75/84/21/1060758421.db2.gz NNAHTNOKPQDUCR-KNQAVFIVSA-N 1 0 488.658 2.890 20 30 JFEDRO C=C1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC[N@@H+](C)CCOC)CC1 ZINC001286639012 1060759306 /nfs/dbraw/zinc/75/93/06/1060759306.db2.gz UCHGDVFDJKDCHG-UHFFFAOYSA-N 1 0 475.663 2.671 20 30 JFEDRO C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286641334 1060761052 /nfs/dbraw/zinc/76/10/52/1060761052.db2.gz WJQPILZAYCLLLQ-UHFFFAOYSA-N 1 0 459.616 2.617 20 30 JFEDRO C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001286650131 1060765706 /nfs/dbraw/zinc/76/57/06/1060765706.db2.gz XSUGUHFJUJLWAK-QHCPKHFHSA-N 1 0 477.613 2.828 20 30 JFEDRO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001286652548 1060768819 /nfs/dbraw/zinc/76/88/19/1060768819.db2.gz YVRWPVYWNQTJIO-IEBWSBKVSA-N 1 0 462.620 2.721 20 30 JFEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001286654789 1060771921 /nfs/dbraw/zinc/77/19/21/1060771921.db2.gz KCKRVTFSRBKTNC-JOCHJYFZSA-N 1 0 487.670 2.988 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286666664 1060778928 /nfs/dbraw/zinc/77/89/28/1060778928.db2.gz CVWDOUUJNXWENW-MSOLQXFVSA-N 1 0 452.669 2.801 20 30 JFEDRO C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286670327 1060782305 /nfs/dbraw/zinc/78/23/05/1060782305.db2.gz GPDZSNQZDMEFSS-SIKLNZKXSA-N 1 0 468.650 2.660 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001286671976 1060784428 /nfs/dbraw/zinc/78/44/28/1060784428.db2.gz DCBULKUPGVAEBD-NRFANRHFSA-N 1 0 494.706 2.668 20 30 JFEDRO C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286693192 1060805101 /nfs/dbraw/zinc/80/51/01/1060805101.db2.gz VPYNYLWKDDPMCY-FQEVSTJZSA-N 1 0 473.643 2.863 20 30 JFEDRO C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001286701384 1060813937 /nfs/dbraw/zinc/81/39/37/1060813937.db2.gz YQTQRQNHEURAGB-QFIPXVFZSA-N 1 0 468.602 2.747 20 30 JFEDRO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286710773 1060829667 /nfs/dbraw/zinc/82/96/67/1060829667.db2.gz CWOBSBPKHNFKJV-RDPSFJRHSA-N 1 0 481.645 2.620 20 30 JFEDRO C=CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286727888 1060849364 /nfs/dbraw/zinc/84/93/64/1060849364.db2.gz DDGXORWGUPFTQJ-UHFFFAOYSA-N 1 0 452.632 2.841 20 30 JFEDRO C=CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCC(O)CC1)C1CC1 ZINC001286736884 1060854964 /nfs/dbraw/zinc/85/49/64/1060854964.db2.gz JAGDWNCEKVYPMD-NRFANRHFSA-N 1 0 490.649 2.588 20 30 JFEDRO C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286744681 1060868561 /nfs/dbraw/zinc/86/85/61/1060868561.db2.gz MUURNAVMVCGJDB-UHFFFAOYSA-N 1 0 465.646 2.619 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C ZINC001286751489 1060879143 /nfs/dbraw/zinc/87/91/43/1060879143.db2.gz QOAFEUQSRHQVQD-PCCBWWKXSA-N 1 0 458.607 2.512 20 30 JFEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C ZINC001286751866 1060879822 /nfs/dbraw/zinc/87/98/22/1060879822.db2.gz UWUPLYJGVKSWIC-QHCPKHFHSA-N 1 0 474.613 2.695 20 30 JFEDRO C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286757235 1060883919 /nfs/dbraw/zinc/88/39/19/1060883919.db2.gz JGKSSSUQMKZMEK-QFIPXVFZSA-N 1 0 451.619 2.936 20 30 JFEDRO C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286768337 1060898395 /nfs/dbraw/zinc/89/83/95/1060898395.db2.gz ZGXKNMXEYFQZII-IBGZPJMESA-N 1 0 465.602 2.563 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286783837 1060935215 /nfs/dbraw/zinc/93/52/15/1060935215.db2.gz NGRGLGPVUZZECI-OALUTQOASA-N 1 0 470.618 2.962 20 30 JFEDRO C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286790166 1060950777 /nfs/dbraw/zinc/95/07/77/1060950777.db2.gz OHBWWOKKENRBSD-BGYRXZFFSA-N 1 0 458.651 2.639 20 30 JFEDRO C=CCNC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001286790320 1060951787 /nfs/dbraw/zinc/95/17/87/1060951787.db2.gz MRNRXSLOPKXIEX-QFIPXVFZSA-N 1 0 479.673 2.817 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286793869 1060966945 /nfs/dbraw/zinc/96/69/45/1060966945.db2.gz OIHJAGISYRGACY-SYYKKAFVSA-N 1 0 458.651 2.810 20 30 JFEDRO C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1 ZINC001286797291 1060975850 /nfs/dbraw/zinc/97/58/50/1060975850.db2.gz VAXIGESRLWSSET-PMACEKPBSA-N 1 0 452.603 2.933 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001286798790 1060980261 /nfs/dbraw/zinc/98/02/61/1060980261.db2.gz OKIIJSDPFUEISV-RBUKOAKNSA-N 1 0 453.591 2.827 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001286808740 1060998215 /nfs/dbraw/zinc/99/82/15/1060998215.db2.gz NGTFUEPSVLJJRM-VSKRKVRLSA-N 1 0 452.603 2.876 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001286808738 1060998267 /nfs/dbraw/zinc/99/82/67/1060998267.db2.gz NGTFUEPSVLJJRM-BHIFYINESA-N 1 0 452.603 2.876 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286813265 1061007073 /nfs/dbraw/zinc/00/70/73/1061007073.db2.gz YUCYLRDHWWEYAH-RZUBCFFCSA-N 1 0 454.619 2.933 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286817760 1061033187 /nfs/dbraw/zinc/03/31/87/1061033187.db2.gz YNYGRTCLWOFHHA-IBGZPJMESA-N 1 0 489.642 2.628 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286821400 1061052378 /nfs/dbraw/zinc/05/23/78/1061052378.db2.gz JXEXBLQLXMFXCY-HXUWFJFHSA-N 1 0 461.607 2.673 20 30 JFEDRO C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286833367 1061083693 /nfs/dbraw/zinc/08/36/93/1061083693.db2.gz AFJQDKGVOCQOBZ-HXUWFJFHSA-N 1 0 461.705 2.769 20 30 JFEDRO C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286833728 1061084498 /nfs/dbraw/zinc/08/44/98/1061084498.db2.gz MXYLYJTUYFSVOB-OAQYLSRUSA-N 1 0 472.634 2.670 20 30 JFEDRO Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[NH+]2CCSCC2)cc1Br ZINC001289605863 1061251217 /nfs/dbraw/zinc/25/12/17/1061251217.db2.gz RZQXKCFKAWXDFR-QGZVFWFLSA-N 1 0 477.432 2.794 20 30 JFEDRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@H]2C)CC1 ZINC001286871459 1061272794 /nfs/dbraw/zinc/27/27/94/1061272794.db2.gz OOUAKIYPFSLHOL-PXDATVDWSA-N 1 0 493.656 2.748 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001286884464 1061318366 /nfs/dbraw/zinc/31/83/66/1061318366.db2.gz SYAKRSKCJGVYMO-FQEVSTJZSA-N 1 0 465.602 2.662 20 30 JFEDRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001286910653 1061459217 /nfs/dbraw/zinc/45/92/17/1061459217.db2.gz FTCOGOVQEKOQPX-OAQYLSRUSA-N 1 0 465.602 2.708 20 30 JFEDRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001286913176 1061473112 /nfs/dbraw/zinc/47/31/12/1061473112.db2.gz SMOMTVNNXKYCBC-RBBKRZOGSA-N 1 0 477.569 2.730 20 30 JFEDRO Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001289828969 1061505356 /nfs/dbraw/zinc/50/53/56/1061505356.db2.gz RIWHAFDPGOSYQJ-QNWVGRARSA-N 1 0 468.602 2.702 20 30 JFEDRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001286924580 1061531090 /nfs/dbraw/zinc/53/10/90/1061531090.db2.gz AUHBYWNEWXSYKC-JOCHJYFZSA-N 1 0 479.629 2.956 20 30 JFEDRO C#CC[C@]1(C(=O)NCCc2ccc(N3CC[NH+](C)CC3)cc2)CCCN1C(=O)OC(C)(C)C ZINC001289899201 1061585144 /nfs/dbraw/zinc/58/51/44/1061585144.db2.gz WOCCUBANYOTJIW-AREMUKBSSA-N 1 0 454.615 2.890 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286959805 1061730629 /nfs/dbraw/zinc/73/06/29/1061730629.db2.gz AXWARJAWLILYSQ-PXNSSMCTSA-N 1 0 485.614 2.687 20 30 JFEDRO CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC001286960754 1061733351 /nfs/dbraw/zinc/73/33/51/1061733351.db2.gz IVHIXPMVUYXZKP-ZBLYBZFDSA-N 1 0 496.656 2.920 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286964885 1061739212 /nfs/dbraw/zinc/73/92/12/1061739212.db2.gz FIHSDTFFAAULNT-OALUTQOASA-N 1 0 472.663 2.956 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286970150 1061746631 /nfs/dbraw/zinc/74/66/31/1061746631.db2.gz UUSYBKYNWRLSAF-YADHBBJMSA-N 1 0 451.619 2.980 20 30 JFEDRO C[C@H]([C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCC1)S(C)(=O)=O ZINC001286974825 1061771022 /nfs/dbraw/zinc/77/10/22/1061771022.db2.gz ATXLZHNECHGUSF-RBUKOAKNSA-N 1 0 488.658 2.861 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 ZINC001294308539 1061796631 /nfs/dbraw/zinc/79/66/31/1061796631.db2.gz LVRXYKJFHKZQHZ-QUCCMNQESA-N 1 0 465.668 2.673 20 30 JFEDRO CCCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([NH+](C)C)CCOCC2)cc1OC ZINC001294372620 1061942188 /nfs/dbraw/zinc/94/21/88/1061942188.db2.gz KCYKEPRMLOJUAB-NRFANRHFSA-N 1 0 498.628 2.972 20 30 JFEDRO CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001287014619 1061948998 /nfs/dbraw/zinc/94/89/98/1061948998.db2.gz JTHIFCVAMVSFEF-FCHUYYIVSA-N 1 0 452.603 2.915 20 30 JFEDRO CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287034256 1061995429 /nfs/dbraw/zinc/99/54/29/1061995429.db2.gz SIDWTXSCFVYJGQ-QFIPXVFZSA-N 1 0 480.661 2.697 20 30 JFEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001294460833 1062009641 /nfs/dbraw/zinc/00/96/41/1062009641.db2.gz MDEKSTGCTZMNJH-UNMCSNQZSA-N 1 0 451.619 2.706 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 ZINC001294505534 1062041778 /nfs/dbraw/zinc/04/17/78/1062041778.db2.gz ANCNEEHXBABVIV-INIZCTEOSA-N 1 0 450.385 2.507 20 30 JFEDRO CCC[N@H+](CC)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001294522844 1062058407 /nfs/dbraw/zinc/05/84/07/1062058407.db2.gz OMXYVPKCTGEGLJ-UHFFFAOYSA-N 1 0 459.602 2.589 20 30 JFEDRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCC[NH+]1CCCC1 ZINC001287053593 1062060836 /nfs/dbraw/zinc/06/08/36/1062060836.db2.gz HLULHGSAYAPDFM-HXUWFJFHSA-N 1 0 473.622 2.812 20 30 JFEDRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287058407 1062084610 /nfs/dbraw/zinc/08/46/10/1062084610.db2.gz GOGMKWNYHAAZDU-FCHUYYIVSA-N 1 0 495.628 2.767 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294650302 1062195710 /nfs/dbraw/zinc/19/57/10/1062195710.db2.gz TUVSRYUUQTZJOB-TZIWHRDSSA-N 1 0 456.616 2.562 20 30 JFEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001294693196 1062253190 /nfs/dbraw/zinc/25/31/90/1062253190.db2.gz NQOKSJGLBGXIBZ-QFIPXVFZSA-N 1 0 479.629 2.954 20 30 JFEDRO Cc1nc(CN2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)[NH+](C)C)CC2)cs1 ZINC001290468524 1062255709 /nfs/dbraw/zinc/25/57/09/1062255709.db2.gz HDGYUZNJGMAKBT-QGZVFWFLSA-N 1 0 450.616 2.854 20 30 JFEDRO CC(C)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)C[NH+]1CCCC1 ZINC001287092916 1062290576 /nfs/dbraw/zinc/29/05/76/1062290576.db2.gz DUYMWXQIDOHMEG-FQEVSTJZSA-N 1 0 486.020 2.712 20 30 JFEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294746070 1062338909 /nfs/dbraw/zinc/33/89/09/1062338909.db2.gz ZPDUCPHIKZXNMR-NRFANRHFSA-N 1 0 450.591 2.543 20 30 JFEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294749844 1062340238 /nfs/dbraw/zinc/34/02/38/1062340238.db2.gz LYRKGVLXJAHRAW-QHCPKHFHSA-N 1 0 499.685 2.941 20 30 JFEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290542883 1062344485 /nfs/dbraw/zinc/34/44/85/1062344485.db2.gz MNTCAJDEHUWXTL-GOSISDBHSA-N 1 0 462.602 2.772 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC001290591855 1062411300 /nfs/dbraw/zinc/41/13/00/1062411300.db2.gz UROUYPMAPTZCOO-RDPSFJRHSA-N 1 0 476.629 2.883 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001287155624 1062540297 /nfs/dbraw/zinc/54/02/97/1062540297.db2.gz DGXRRPBMLSWXQJ-HSZRJFAPSA-N 1 0 499.685 2.797 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001287156277 1062542326 /nfs/dbraw/zinc/54/23/26/1062542326.db2.gz HTAMRAWTYUHDGF-DENIHFKCSA-N 1 0 457.510 2.652 20 30 JFEDRO N#Cc1ccc(OCC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1Br ZINC001294872300 1062580428 /nfs/dbraw/zinc/58/04/28/1062580428.db2.gz UWKGNCNTHNKYDV-RXVVDRJESA-N 1 0 458.356 2.699 20 30 JFEDRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295016848 1062812190 /nfs/dbraw/zinc/81/21/90/1062812190.db2.gz DCKWEVVTKWHQRB-FQEVSTJZSA-N 1 0 499.685 2.847 20 30 JFEDRO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001290997234 1062888517 /nfs/dbraw/zinc/88/85/17/1062888517.db2.gz BYRGIGPYSHRUGN-FBROZUCGSA-N 1 0 474.650 2.804 20 30 JFEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001287456688 1062894148 /nfs/dbraw/zinc/89/41/48/1062894148.db2.gz IIKMPCFWRUMTGK-NLFFAJNJSA-N 1 0 452.603 2.600 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291009848 1062907561 /nfs/dbraw/zinc/90/75/61/1062907561.db2.gz LQJLIKSOLZXQKA-OYRHEFFESA-N 1 0 499.685 2.656 20 30 JFEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 ZINC001291052969 1062985825 /nfs/dbraw/zinc/98/58/25/1062985825.db2.gz ZUSISMOCDMYDEX-PMACEKPBSA-N 1 0 451.619 2.582 20 30 JFEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175121 1062999139 /nfs/dbraw/zinc/99/91/39/1062999139.db2.gz UPXPAENXYBQMDM-LEWJYISDSA-N 1 0 470.643 2.951 20 30 JFEDRO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287605154 1063000873 /nfs/dbraw/zinc/00/08/73/1063000873.db2.gz FNJZWRSAAMWTQE-HSALFYBXSA-N 1 0 459.639 2.883 20 30 JFEDRO C[C@@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001291066234 1063011942 /nfs/dbraw/zinc/01/19/42/1063011942.db2.gz KYAZTRJZOXNONP-JLGINSKQSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291067783 1063015030 /nfs/dbraw/zinc/01/50/30/1063015030.db2.gz FIJDXGSDAQRMTR-MPCDZSKCSA-N 1 0 467.618 2.939 20 30 JFEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 ZINC001291094982 1063053640 /nfs/dbraw/zinc/05/36/40/1063053640.db2.gz CKXAHPZKCJHJOL-RBBKRZOGSA-N 1 0 499.685 2.847 20 30 JFEDRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001291097283 1063060310 /nfs/dbraw/zinc/06/03/10/1063060310.db2.gz SFZUNUJIVIZEED-FPOVZHCZSA-N 1 0 486.642 2.732 20 30 JFEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001287738551 1063061703 /nfs/dbraw/zinc/06/17/03/1063061703.db2.gz PCXTVWONPONEAJ-QFIPXVFZSA-N 1 0 499.685 2.656 20 30 JFEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105715 1063088940 /nfs/dbraw/zinc/08/89/40/1063088940.db2.gz MROFZOGSALPOGX-OPYAIIAOSA-N 1 0 456.616 2.560 20 30 JFEDRO C[C@H]1CCC[N@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001291124689 1063144438 /nfs/dbraw/zinc/14/44/38/1063144438.db2.gz INQCLYRWZUASOV-SFTDATJTSA-N 1 0 479.629 2.908 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291128641 1063164386 /nfs/dbraw/zinc/16/43/86/1063164386.db2.gz AAAXVTNKIJFDII-HXUWFJFHSA-N 1 0 479.629 2.943 20 30 JFEDRO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140801 1063211415 /nfs/dbraw/zinc/21/14/15/1063211415.db2.gz DWPFMJULXHJYKB-QFIPXVFZSA-N 1 0 492.672 2.731 20 30 JFEDRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC001291140893 1063211972 /nfs/dbraw/zinc/21/19/72/1063211972.db2.gz GCPNMYPLPMDAPY-SKWRMQMOSA-N 1 0 499.685 2.752 20 30 JFEDRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295335976 1063254857 /nfs/dbraw/zinc/25/48/57/1063254857.db2.gz KDLBOUSXNUCQCY-UHFFFAOYSA-N 1 0 492.672 2.683 20 30 JFEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C[C@@H](C)O1 ZINC001291186983 1063293304 /nfs/dbraw/zinc/29/33/04/1063293304.db2.gz NGXJUAFOLMSSCE-YXTQBTIXSA-N 1 0 452.603 2.912 20 30 JFEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 ZINC001291188341 1063302382 /nfs/dbraw/zinc/30/23/82/1063302382.db2.gz IMZZSPWLGYVBEB-KCZVDYSFSA-N 1 0 468.602 2.516 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295366270 1063329432 /nfs/dbraw/zinc/32/94/32/1063329432.db2.gz RNWXUQBWSGPOFQ-FGZHOGPDSA-N 1 0 492.672 2.680 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001295387213 1063364082 /nfs/dbraw/zinc/36/40/82/1063364082.db2.gz YTPSJLCSMTWZLC-TZIWHRDSSA-N 1 0 463.590 2.892 20 30 JFEDRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)c1ccsc1 ZINC001295390972 1063372359 /nfs/dbraw/zinc/37/23/59/1063372359.db2.gz CKNQRLMOODPNJO-LEWJYISDSA-N 1 0 484.674 2.737 20 30 JFEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291218116 1063441388 /nfs/dbraw/zinc/44/13/88/1063441388.db2.gz NXRHUXLKBPAXPU-DENIHFKCSA-N 1 0 479.629 2.763 20 30 JFEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291218119 1063442514 /nfs/dbraw/zinc/44/25/14/1063442514.db2.gz NXRHUXLKBPAXPU-UGKGYDQZSA-N 1 0 479.629 2.763 20 30 JFEDRO C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001291225946 1063471929 /nfs/dbraw/zinc/47/19/29/1063471929.db2.gz ZMCHQGWTAAUUAG-MAUKXSAKSA-N 1 0 452.481 2.551 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(OC)CCCC2)CC1 ZINC001295482731 1063504905 /nfs/dbraw/zinc/50/49/05/1063504905.db2.gz YVHNCTADYADWBM-UHFFFAOYSA-N 1 0 479.629 2.766 20 30 JFEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001295511622 1063546511 /nfs/dbraw/zinc/54/65/11/1063546511.db2.gz LZTGUHCSEFJASM-NHCUHLMSSA-N 1 0 470.643 2.810 20 30 JFEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001295516447 1063552957 /nfs/dbraw/zinc/55/29/57/1063552957.db2.gz IWBAZOUIUUCSKO-KHOFPDMRSA-N 1 0 457.623 2.561 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001295531663 1063568815 /nfs/dbraw/zinc/56/88/15/1063568815.db2.gz YAASROIQBNPTKC-UHFFFAOYSA-N 1 0 491.644 2.926 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295555031 1063589318 /nfs/dbraw/zinc/58/93/18/1063589318.db2.gz OODXMVBILWCYQY-QAPCUYQASA-N 1 0 475.439 2.943 20 30 JFEDRO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001291279132 1063598375 /nfs/dbraw/zinc/59/83/75/1063598375.db2.gz IXTKJEFZQRKCCQ-LPHOPBHVSA-N 1 0 464.492 2.981 20 30 JFEDRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC001291288585 1063650498 /nfs/dbraw/zinc/65/04/98/1063650498.db2.gz VEDUUWWYOHOMQT-BGYRXZFFSA-N 1 0 488.596 2.933 20 30 JFEDRO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291288978 1063654063 /nfs/dbraw/zinc/65/40/63/1063654063.db2.gz BOGNYPHXDWSOKS-OYRHEFFESA-N 1 0 479.629 2.621 20 30 JFEDRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291289535 1063657490 /nfs/dbraw/zinc/65/74/90/1063657490.db2.gz LXBRKJSDRCASBQ-FQEVSTJZSA-N 1 0 467.618 2.526 20 30 JFEDRO CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001295646485 1063688272 /nfs/dbraw/zinc/68/82/72/1063688272.db2.gz LNTLIRDRVGVRAQ-HSZRJFAPSA-N 1 0 452.584 2.883 20 30 JFEDRO CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001291364249 1063883047 /nfs/dbraw/zinc/88/30/47/1063883047.db2.gz LWXDDRWHGDXPLN-YPCDYVTLSA-N 1 0 465.646 2.973 20 30 JFEDRO CC[N@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)C(C)C ZINC001295855336 1063884729 /nfs/dbraw/zinc/88/47/29/1063884729.db2.gz CRTNUYJKBHVZRJ-JPYJTQIMSA-N 1 0 479.601 2.759 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001295876400 1063914843 /nfs/dbraw/zinc/91/48/43/1063914843.db2.gz ANGLCWQUPSAPIY-LJQANCHMSA-N 1 0 458.632 2.952 20 30 JFEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001295983267 1064039017 /nfs/dbraw/zinc/03/90/17/1064039017.db2.gz HHYWXTUVAWWTIK-ZWKOTPCHSA-N 1 0 456.616 2.560 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296021903 1064082668 /nfs/dbraw/zinc/08/26/68/1064082668.db2.gz MUUIWCWYTZVDNP-HSZRJFAPSA-N 1 0 474.606 2.913 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001296051708 1064112098 /nfs/dbraw/zinc/11/20/98/1064112098.db2.gz JLNIPGCZTJUFPN-OAQYLSRUSA-N 1 0 494.644 2.701 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001296059624 1064123106 /nfs/dbraw/zinc/12/31/06/1064123106.db2.gz HJDOZMQPJFYBGR-WWPVKYPJSA-N 1 0 479.629 2.669 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001296079184 1064146026 /nfs/dbraw/zinc/14/60/26/1064146026.db2.gz CTGHUHOBQIMERI-FGZHOGPDSA-N 1 0 465.602 2.740 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291621512 1064161196 /nfs/dbraw/zinc/16/11/96/1064161196.db2.gz VDBVNGMOUBVFQT-ACRUOGEOSA-N 1 0 466.634 2.884 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291621516 1064161225 /nfs/dbraw/zinc/16/12/25/1064161225.db2.gz VDBVNGMOUBVFQT-PCCBWWKXSA-N 1 0 466.634 2.884 20 30 JFEDRO CC[C@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001291644466 1064198378 /nfs/dbraw/zinc/19/83/78/1064198378.db2.gz XUFLNSQWGLULNC-LQTLECTNSA-N 1 0 457.623 2.876 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296125255 1064218616 /nfs/dbraw/zinc/21/86/16/1064218616.db2.gz LNRMPQCHGWIDCU-IRLDBZIGSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001296134869 1064237563 /nfs/dbraw/zinc/23/75/63/1064237563.db2.gz RSQKJMLBLXDIHM-OAQYLSRUSA-N 1 0 451.619 2.991 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001291765543 1064246269 /nfs/dbraw/zinc/24/62/69/1064246269.db2.gz MUTMNEJCRBOMOZ-GHTZIAJQSA-N 1 0 467.618 2.869 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001291766250 1064247733 /nfs/dbraw/zinc/24/77/33/1064247733.db2.gz UCDOJWVVYVQXIU-REWPJTCUSA-N 1 0 462.602 2.957 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001291774656 1064263098 /nfs/dbraw/zinc/26/30/98/1064263098.db2.gz PYATZSOQIBPSQY-FPOVZHCZSA-N 1 0 452.607 2.843 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001291782367 1064271143 /nfs/dbraw/zinc/27/11/43/1064271143.db2.gz NTKSPFFIEQEXMU-HXUWFJFHSA-N 1 0 459.602 2.587 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296190400 1064338599 /nfs/dbraw/zinc/33/85/99/1064338599.db2.gz DAJLLZBBTRUDTP-CPJSRVTESA-N 1 0 453.610 2.893 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001296190383 1064338854 /nfs/dbraw/zinc/33/88/54/1064338854.db2.gz CUSCUMUWKFOROQ-NRFANRHFSA-N 1 0 465.646 2.891 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296196625 1064368913 /nfs/dbraw/zinc/36/89/13/1064368913.db2.gz VMDJKDIKMBZKRF-IMSXRSKXSA-N 1 0 465.646 2.952 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296204224 1064384804 /nfs/dbraw/zinc/38/48/04/1064384804.db2.gz QSKVIPAGXHANKH-DEOSSOPVSA-N 1 0 457.573 2.868 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296207301 1064397017 /nfs/dbraw/zinc/39/70/17/1064397017.db2.gz WSVAWLRLSXOYRC-UHFFFAOYSA-N 1 0 490.578 2.529 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001296206910 1064397174 /nfs/dbraw/zinc/39/71/74/1064397174.db2.gz VGKGEHXPDHYHKO-QFIPXVFZSA-N 1 0 451.619 2.706 20 30 JFEDRO CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c2ccccc2c1=O ZINC001296214287 1064411752 /nfs/dbraw/zinc/41/17/52/1064411752.db2.gz KNBQXSHFOUTVFL-VAMGGRTRSA-N 1 0 492.628 2.770 20 30 JFEDRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC001291962209 1064575916 /nfs/dbraw/zinc/57/59/16/1064575916.db2.gz ACQJBAUASOGYKS-GGAORHGYSA-N 1 0 478.645 2.794 20 30 JFEDRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC001291967933 1064583350 /nfs/dbraw/zinc/58/33/50/1064583350.db2.gz SARSHOSBJHVWFQ-DHIUTWEWSA-N 1 0 479.629 2.874 20 30 JFEDRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001296330001 1064629188 /nfs/dbraw/zinc/62/91/88/1064629188.db2.gz OROYPIYMXCVLCL-PMACEKPBSA-N 1 0 499.666 2.699 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292036096 1064699272 /nfs/dbraw/zinc/69/92/72/1064699272.db2.gz PDUFWKCXIJTGDG-HXUWFJFHSA-N 1 0 459.639 2.683 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC[NH+]1CCCCC1 ZINC001292116877 1064841405 /nfs/dbraw/zinc/84/14/05/1064841405.db2.gz FVQGCXRFAPKVMG-UHFFFAOYSA-N 1 0 493.660 2.666 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](C)[NH+](C)C ZINC001292117260 1064843252 /nfs/dbraw/zinc/84/32/52/1064843252.db2.gz JZXSUSOUJGMLFI-KRWDZBQOSA-N 1 0 487.052 2.998 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292134210 1064892718 /nfs/dbraw/zinc/89/27/18/1064892718.db2.gz QTDDDFXEAGPOBH-XZOQPEGZSA-N 1 0 479.629 2.762 20 30 JFEDRO CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292195247 1064987410 /nfs/dbraw/zinc/98/74/10/1064987410.db2.gz HLZDIQJKVROYFC-GGAORHGYSA-N 1 0 499.685 2.799 20 30 JFEDRO CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001292252357 1065034884 /nfs/dbraw/zinc/03/48/84/1065034884.db2.gz QWJLECHPAVZTAI-FCHUYYIVSA-N 1 0 468.602 2.702 20 30 JFEDRO CCc1ccc([C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC001292460599 1065189176 /nfs/dbraw/zinc/18/91/76/1065189176.db2.gz JEQGASMYHXUUGO-GPJHCHHRSA-N 1 0 468.602 2.596 20 30 JFEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001292663560 1065398893 /nfs/dbraw/zinc/39/88/93/1065398893.db2.gz YZULUPNFDFEZGE-NSHGMRRFSA-N 1 0 458.006 2.582 20 30 JFEDRO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001307153446 1065581677 /nfs/dbraw/zinc/58/16/77/1065581677.db2.gz VPEDIYLOUPJVHE-UHFFFAOYSA-N 1 0 458.478 2.679 20 30 JFEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001293068390 1065720695 /nfs/dbraw/zinc/72/06/95/1065720695.db2.gz FZQXNHHALOSXEU-XMMPIXPASA-N 1 0 465.646 2.781 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CC[N@@H+]1CCOC ZINC001293544545 1066063755 /nfs/dbraw/zinc/06/37/55/1066063755.db2.gz VCUTZEKRJZWSBH-HSZRJFAPSA-N 1 0 488.596 2.765 20 30 JFEDRO N#Cc1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c(Cl)nn2)c1 ZINC001164415322 718885991 /nfs/dbraw/zinc/88/59/91/718885991.db2.gz FXVXDDUKFPJOPQ-UHFFFAOYSA-N 1 0 456.888 2.904 20 30 JFEDRO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)n1 ZINC001164663046 719358895 /nfs/dbraw/zinc/35/88/95/719358895.db2.gz BYADSIYVZHIEQR-SANMLTNESA-N 1 0 462.598 2.946 20 30 JFEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)c2ccccc21 ZINC001164680106 719665636 /nfs/dbraw/zinc/66/56/36/719665636.db2.gz CKKZINQXQGJRJH-SFHVURJKSA-N 1 0 462.554 2.955 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825285 720307453 /nfs/dbraw/zinc/30/74/53/720307453.db2.gz SZHWQXCYMORFHY-RTBURBONSA-N 1 0 459.978 2.695 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164729973 720518750 /nfs/dbraw/zinc/51/87/50/720518750.db2.gz PCFWNVGWOHSXQD-CYBMUJFWSA-N 1 0 452.893 2.723 20 30 JFEDRO CCc1nc(C#N)c(C#N)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752952 720933206 /nfs/dbraw/zinc/93/32/06/720933206.db2.gz POCNPKGEVWJURH-HFZDXXHNSA-N 1 0 457.582 2.932 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164772781 721163809 /nfs/dbraw/zinc/16/38/09/721163809.db2.gz WSZUSLIGHMSNGY-SFTDATJTSA-N 1 0 451.647 2.789 20 30 JFEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(COc4ccc(CC#N)cc4)cn3)CC2)C1 ZINC001164879618 721286566 /nfs/dbraw/zinc/28/65/66/721286566.db2.gz XLCUVGRGSTUOSF-UHFFFAOYSA-N 1 0 477.609 2.734 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888618 721399234 /nfs/dbraw/zinc/39/92/34/721399234.db2.gz KMXGDWAWPQYBHC-FDDCHVKYSA-N 1 0 461.994 2.549 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963329 722060980 /nfs/dbraw/zinc/06/09/80/722060980.db2.gz WRWYEGCIVHNMLM-OAQYLSRUSA-N 1 0 478.597 2.939 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981758 722150416 /nfs/dbraw/zinc/15/04/16/722150416.db2.gz QHDPYSYBXNVGEW-NJYVYQBISA-N 1 0 464.570 2.548 20 30 JFEDRO CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001265828615 1059930711 /nfs/dbraw/zinc/93/07/11/1059930711.db2.gz QYDADOAWODZOKX-PKTZIBPZSA-N 1 0 459.550 2.886 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286269710 1060028369 /nfs/dbraw/zinc/02/83/69/1060028369.db2.gz HMYIBPYYEZMNFQ-RTWAWAEBSA-N 1 0 465.646 2.865 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286273714 1060031391 /nfs/dbraw/zinc/03/13/91/1060031391.db2.gz GICPLNWNNMWBLX-FQRUVTKNSA-N 1 0 451.615 2.876 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001286276913 1060034273 /nfs/dbraw/zinc/03/42/73/1060034273.db2.gz UXSDFAMQTYUARS-FHWLQOOXSA-N 1 0 487.674 2.504 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001286300810 1060052896 /nfs/dbraw/zinc/05/28/96/1060052896.db2.gz XUGIEBWHOAWBEM-VGOFRKELSA-N 1 0 450.612 2.707 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286306502 1060058705 /nfs/dbraw/zinc/05/87/05/1060058705.db2.gz VSEJDBVORRLPSY-FQEVSTJZSA-N 1 0 455.603 2.949 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001286312661 1060074038 /nfs/dbraw/zinc/07/40/38/1060074038.db2.gz ZJNMBEBUKGJIAY-HXUWFJFHSA-N 1 0 450.587 2.713 20 30 JFEDRO C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001286314175 1060074913 /nfs/dbraw/zinc/07/49/13/1060074913.db2.gz LOYOOFNVSPSMSJ-OAQYLSRUSA-N 1 0 485.032 2.824 20 30 JFEDRO C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001286363364 1060124843 /nfs/dbraw/zinc/12/48/43/1060124843.db2.gz ROYCEFUATGQUSV-QGZVFWFLSA-N 1 0 471.656 2.980 20 30 JFEDRO C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001286379327 1060143404 /nfs/dbraw/zinc/14/34/04/1060143404.db2.gz NTMOQRSJUIBILL-GOTSBHOMSA-N 1 0 450.631 2.917 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286382387 1060153979 /nfs/dbraw/zinc/15/39/79/1060153979.db2.gz IZDDZPHMLICOLB-UNMCSNQZSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382403 1060155193 /nfs/dbraw/zinc/15/51/93/1060155193.db2.gz JCYFPWVBYISGDF-PXNSSMCTSA-N 1 0 462.019 2.567 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286383269 1060161008 /nfs/dbraw/zinc/16/10/08/1060161008.db2.gz LXQMEEJZOFOGEL-UNMCSNQZSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[N@@H+]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286384947 1060172303 /nfs/dbraw/zinc/17/23/03/1060172303.db2.gz KVNCJBFHWMRKID-ACIOBRDBSA-N 1 0 469.655 2.931 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286385802 1060180026 /nfs/dbraw/zinc/18/00/26/1060180026.db2.gz ZQPBWEBGHYAUMS-FQEVSTJZSA-N 1 0 462.019 2.711 20 30 JFEDRO C#CCN(c1nnc(-c2cccn2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387729 1060203765 /nfs/dbraw/zinc/20/37/65/1060203765.db2.gz USVLHLXNNRTAIR-BHIFYINESA-N 1 0 486.686 2.668 20 30 JFEDRO C#CCN(c1nnc(-c2cccn2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286387728 1060203799 /nfs/dbraw/zinc/20/37/99/1060203799.db2.gz USVLHLXNNRTAIR-BDTNDASRSA-N 1 0 486.686 2.668 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286388527 1060211742 /nfs/dbraw/zinc/21/17/42/1060211742.db2.gz QQNOFYHIBHNDKB-KNQAVFIVSA-N 1 0 481.622 2.994 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286388558 1060211817 /nfs/dbraw/zinc/21/18/17/1060211817.db2.gz RIOYBNKETRVRID-SBHAEUEKSA-N 1 0 473.643 2.841 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388559 1060211837 /nfs/dbraw/zinc/21/18/37/1060211837.db2.gz RIOYBNKETRVRID-SFHLNBCPSA-N 1 0 473.643 2.841 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286390371 1060224752 /nfs/dbraw/zinc/22/47/52/1060224752.db2.gz AMMGLIDUWLXZIA-GPXNEJASSA-N 1 0 483.682 2.810 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286390708 1060227625 /nfs/dbraw/zinc/22/76/25/1060227625.db2.gz BDWBDCUGGQNFTI-FSSWDIPSSA-N 1 0 477.675 2.657 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286391215 1060230253 /nfs/dbraw/zinc/23/02/53/1060230253.db2.gz GZBUJVUXDZOMEZ-ISKFKSNPSA-N 1 0 483.682 2.955 20 30 JFEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCC[N@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286391441 1060232277 /nfs/dbraw/zinc/23/22/77/1060232277.db2.gz IMTXQFVKYPLXMU-LEWJYISDSA-N 1 0 490.699 2.525 20 30 JFEDRO C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@H](C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393025 1060241078 /nfs/dbraw/zinc/24/10/78/1060241078.db2.gz DHNBYKVRSDFOKW-LEWJYISDSA-N 1 0 487.670 2.866 20 30 JFEDRO C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393031 1060241192 /nfs/dbraw/zinc/24/11/92/1060241192.db2.gz DHNBYKVRSDFOKW-NHCUHLMSSA-N 1 0 487.670 2.866 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286395185 1060254830 /nfs/dbraw/zinc/25/48/30/1060254830.db2.gz RGJFRFGYCWRWRL-REWPJTCUSA-N 1 0 487.645 2.899 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395795 1060258931 /nfs/dbraw/zinc/25/89/31/1060258931.db2.gz OBEYJXUQWNFBML-FGZHOGPDSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286396444 1060262366 /nfs/dbraw/zinc/26/23/66/1060262366.db2.gz PTRQCUGARROEKH-FGZHOGPDSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397642 1060269315 /nfs/dbraw/zinc/26/93/15/1060269315.db2.gz BNLLNHJYFGRADK-DXBBTUNJSA-N 1 0 491.702 2.555 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC1([NH+](C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286398240 1060272513 /nfs/dbraw/zinc/27/25/13/1060272513.db2.gz WQAOIKPVUSXSGY-QFIPXVFZSA-N 1 0 499.681 2.975 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286403141 1060285912 /nfs/dbraw/zinc/28/59/12/1060285912.db2.gz HERTVEPEWSKFLJ-OAQYLSRUSA-N 1 0 457.582 2.909 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CC[NH+]1CCCCC1 ZINC001286408378 1060290850 /nfs/dbraw/zinc/29/08/50/1060290850.db2.gz FSWAKBQPFGUTPG-UHFFFAOYSA-N 1 0 457.582 2.624 20 30 JFEDRO C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001286414846 1060301045 /nfs/dbraw/zinc/30/10/45/1060301045.db2.gz BEJQJVAKMZXVOK-WOJBJXKFSA-N 1 0 453.562 2.957 20 30 JFEDRO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001286414963 1060301536 /nfs/dbraw/zinc/30/15/36/1060301536.db2.gz FNZSUPUQNBAPQL-UHFFFAOYSA-N 1 0 472.618 2.791 20 30 JFEDRO C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CSCCS1 ZINC001286415116 1060302149 /nfs/dbraw/zinc/30/21/49/1060302149.db2.gz IIBDHRGTDPTNKD-QHCPKHFHSA-N 1 0 480.707 2.564 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001286418402 1060305574 /nfs/dbraw/zinc/30/55/74/1060305574.db2.gz IIJNCTGZCQVQEU-IBGZPJMESA-N 1 0 451.571 2.776 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1CC[N@@H+](CCC)C1 ZINC001286426330 1060316250 /nfs/dbraw/zinc/31/62/50/1060316250.db2.gz RSVBLWQLXHSXKF-OAQYLSRUSA-N 1 0 471.609 2.870 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286426436 1060316910 /nfs/dbraw/zinc/31/69/10/1060316910.db2.gz VORIDWGYZKERKK-OAQYLSRUSA-N 1 0 471.609 2.870 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286428159 1060317577 /nfs/dbraw/zinc/31/75/77/1060317577.db2.gz PXMUOTWUZYZXGS-FCHUYYIVSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286429630 1060319969 /nfs/dbraw/zinc/31/99/69/1060319969.db2.gz DJEQNPKAWGNCDL-DEOSSOPVSA-N 1 0 460.626 2.847 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001286430697 1060321298 /nfs/dbraw/zinc/32/12/98/1060321298.db2.gz PWUOMUMLOOYQJH-QTJGBDASSA-N 1 0 458.610 2.993 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286432651 1060324451 /nfs/dbraw/zinc/32/44/51/1060324451.db2.gz SDNBMWXICMAXNC-FQEVSTJZSA-N 1 0 452.628 2.855 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001286433441 1060325183 /nfs/dbraw/zinc/32/51/83/1060325183.db2.gz UNLKKJHGVBFITE-UPVQGACJSA-N 1 0 483.657 2.889 20 30 JFEDRO C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286435849 1060327191 /nfs/dbraw/zinc/32/71/91/1060327191.db2.gz LADIXOHGTPKCLA-QFIPXVFZSA-N 1 0 461.035 2.758 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286439320 1060330539 /nfs/dbraw/zinc/33/05/39/1060330539.db2.gz ONLWUCBMDUBIGX-UHFFFAOYSA-N 1 0 471.609 2.829 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286456537 1060338468 /nfs/dbraw/zinc/33/84/68/1060338468.db2.gz RNUAFGSYTZEPCM-HSZRJFAPSA-N 1 0 453.591 2.895 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(SC)CC[NH+](C)CC1 ZINC001286463311 1060350755 /nfs/dbraw/zinc/35/07/55/1060350755.db2.gz DEBBOOUDVWHTAI-UHFFFAOYSA-N 1 0 471.627 2.630 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[NH+]1CCC(C)CC1 ZINC001286464222 1060351825 /nfs/dbraw/zinc/35/18/25/1060351825.db2.gz XAHYLSQPMQJQSC-UHFFFAOYSA-N 1 0 453.587 2.924 20 30 JFEDRO C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286466669 1060354394 /nfs/dbraw/zinc/35/43/94/1060354394.db2.gz IGDNMGCQCYAMTL-VXKWHMMOSA-N 1 0 480.661 2.659 20 30 JFEDRO C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286466668 1060354442 /nfs/dbraw/zinc/35/44/42/1060354442.db2.gz IGDNMGCQCYAMTL-FGZHOGPDSA-N 1 0 480.661 2.659 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001286473169 1060373442 /nfs/dbraw/zinc/37/34/42/1060373442.db2.gz YEJREQXWJDMAST-NRFANRHFSA-N 1 0 450.631 2.552 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001286473303 1060373868 /nfs/dbraw/zinc/37/38/68/1060373868.db2.gz KEPJXNSBELSADF-NRFANRHFSA-N 1 0 482.629 2.601 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001286478913 1060395792 /nfs/dbraw/zinc/39/57/92/1060395792.db2.gz IHPOVAHONHAIAR-NRFANRHFSA-N 1 0 490.656 2.721 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001286479865 1060397626 /nfs/dbraw/zinc/39/76/26/1060397626.db2.gz JCIHQXZEDYETRO-GOTSBHOMSA-N 1 0 452.603 2.586 20 30 JFEDRO C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286483791 1060411306 /nfs/dbraw/zinc/41/13/06/1060411306.db2.gz YYSYTPOTFOISHH-ZRZAMGCNSA-N 1 0 464.658 2.706 20 30 JFEDRO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286484552 1060418272 /nfs/dbraw/zinc/41/82/72/1060418272.db2.gz MEONMAQTWOBBJS-HXUWFJFHSA-N 1 0 483.686 2.535 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286485253 1060424273 /nfs/dbraw/zinc/42/42/73/1060424273.db2.gz GVEBNZJAQZJODS-RJGXRXQPSA-N 1 0 499.704 2.926 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)CCCC)CC1 ZINC001286485801 1060429196 /nfs/dbraw/zinc/42/91/96/1060429196.db2.gz YLYFECPWEFHMPX-NRFANRHFSA-N 1 0 473.666 2.837 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001286486114 1060432912 /nfs/dbraw/zinc/43/29/12/1060432912.db2.gz ISRCMDBORRWXOS-UHFFFAOYSA-N 1 0 491.640 2.599 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286486454 1060436325 /nfs/dbraw/zinc/43/63/25/1060436325.db2.gz FQOCSMMWQSJECQ-IBGZPJMESA-N 1 0 452.603 2.933 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001286487334 1060443364 /nfs/dbraw/zinc/44/33/64/1060443364.db2.gz VATAPHLBFSAFSP-QHCPKHFHSA-N 1 0 462.642 2.932 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001286489658 1060467663 /nfs/dbraw/zinc/46/76/63/1060467663.db2.gz BHNHFNQMTWRFNK-DFBJGRDBSA-N 1 0 451.619 2.750 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286490229 1060473216 /nfs/dbraw/zinc/47/32/16/1060473216.db2.gz OELSOOIEDJKZSU-FQEVSTJZSA-N 1 0 459.598 2.760 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286490422 1060475102 /nfs/dbraw/zinc/47/51/02/1060475102.db2.gz VBBHHVCUJPMLFE-QFIPXVFZSA-N 1 0 463.561 2.681 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286490421 1060475156 /nfs/dbraw/zinc/47/51/56/1060475156.db2.gz VBBHHVCUJPMLFE-JOCHJYFZSA-N 1 0 463.561 2.681 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+](CC)C(C)C)CC1 ZINC001286491241 1060482730 /nfs/dbraw/zinc/48/27/30/1060482730.db2.gz JZJOMBOLCMPGJS-UHFFFAOYSA-N 1 0 450.631 2.873 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286491505 1060486627 /nfs/dbraw/zinc/48/66/27/1060486627.db2.gz UYPNJXSYWWIWEM-UHFFFAOYSA-N 1 0 470.568 2.597 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286493912 1060504858 /nfs/dbraw/zinc/50/48/58/1060504858.db2.gz JBSQKGIBNPAXPQ-NHCUHLMSSA-N 1 0 454.663 2.955 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286494431 1060506995 /nfs/dbraw/zinc/50/69/95/1060506995.db2.gz OTTPBPJEHOJULJ-DHIUTWEWSA-N 1 0 491.684 2.988 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286494435 1060507576 /nfs/dbraw/zinc/50/75/76/1060507576.db2.gz OTTPBPJEHOJULJ-ZRZAMGCNSA-N 1 0 491.684 2.988 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286495360 1060512009 /nfs/dbraw/zinc/51/20/09/1060512009.db2.gz ZIYWCMBPGXSYBK-JTHBVZDNSA-N 1 0 482.604 2.580 20 30 JFEDRO C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001286495775 1060513903 /nfs/dbraw/zinc/51/39/03/1060513903.db2.gz FCBKBFJXNDCELN-UHFFFAOYSA-N 1 0 481.651 2.718 20 30 JFEDRO C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286505460 1060532480 /nfs/dbraw/zinc/53/24/80/1060532480.db2.gz AJLZTYXFCPWSMW-UHFFFAOYSA-N 1 0 457.619 2.923 20 30 JFEDRO C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286506132 1060533987 /nfs/dbraw/zinc/53/39/87/1060533987.db2.gz QIWSQGCBMVZEKR-HYBUGGRVSA-N 1 0 498.672 2.753 20 30 JFEDRO C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001286508197 1060538300 /nfs/dbraw/zinc/53/83/00/1060538300.db2.gz OTIURXDCOLGRGM-QFIPXVFZSA-N 1 0 482.679 2.856 20 30 JFEDRO C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001286508194 1060538339 /nfs/dbraw/zinc/53/83/39/1060538339.db2.gz OTIURXDCOLGRGM-JOCHJYFZSA-N 1 0 482.679 2.856 20 30 JFEDRO C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001286509412 1060541183 /nfs/dbraw/zinc/54/11/83/1060541183.db2.gz ZTTWPQCQNRGPLP-UHFFFAOYSA-N 1 0 466.655 2.868 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286515123 1060550009 /nfs/dbraw/zinc/55/00/09/1060550009.db2.gz DGXJIXHTQXFUQU-PGRDOPGGSA-N 1 0 475.435 2.885 20 30 JFEDRO C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001286533037 1060569750 /nfs/dbraw/zinc/56/97/50/1060569750.db2.gz CNCUYWFSCIPSBO-MRXNPFEDSA-N 1 0 477.363 2.920 20 30 JFEDRO C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286535234 1060572776 /nfs/dbraw/zinc/57/27/76/1060572776.db2.gz MUVCEEMPUXDVHF-UHFFFAOYSA-N 1 0 472.395 2.607 20 30 JFEDRO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001286538131 1060580343 /nfs/dbraw/zinc/58/03/43/1060580343.db2.gz JJUBVOCNLJIRED-QZTJIDSGSA-N 1 0 459.392 2.849 20 30 JFEDRO C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286547995 1060599390 /nfs/dbraw/zinc/59/93/90/1060599390.db2.gz QYRZOYJZMRGCKU-JFJDKTSWSA-N 1 0 498.676 2.650 20 30 JFEDRO C=C(Br)Cn1c(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001286548243 1060600810 /nfs/dbraw/zinc/60/08/10/1060600810.db2.gz VEXUVVYEQILKJP-CRAIPNDOSA-N 1 0 467.456 2.863 20 30 JFEDRO C=C(Br)Cn1c(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001286548248 1060600839 /nfs/dbraw/zinc/60/08/39/1060600839.db2.gz VEXUVVYEQILKJP-QAPCUYQASA-N 1 0 467.456 2.863 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286555745 1060623664 /nfs/dbraw/zinc/62/36/64/1060623664.db2.gz YTOIUPIFLHMWRI-FQOCKNPQSA-N 1 0 477.650 2.673 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001286560699 1060634768 /nfs/dbraw/zinc/63/47/68/1060634768.db2.gz HWVMMBWBYXJORX-FCEUIQTBSA-N 1 0 457.623 2.597 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001286560701 1060634793 /nfs/dbraw/zinc/63/47/93/1060634793.db2.gz HWVMMBWBYXJORX-NNWRFLSQSA-N 1 0 457.623 2.597 20 30 JFEDRO C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[NH+]1CCSCC1 ZINC001286573281 1060664400 /nfs/dbraw/zinc/66/44/00/1060664400.db2.gz IKFRIDNYOQCUMR-UHFFFAOYSA-N 1 0 453.616 2.643 20 30 JFEDRO C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001286578753 1060665290 /nfs/dbraw/zinc/66/52/90/1060665290.db2.gz JJBVFYCPLRBQIG-VXKWHMMOSA-N 1 0 452.603 2.637 20 30 JFEDRO C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001286581492 1060668460 /nfs/dbraw/zinc/66/84/60/1060668460.db2.gz JRWLICFWUFDPCL-XMMPIXPASA-N 1 0 462.639 2.862 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604265 1060708833 /nfs/dbraw/zinc/70/88/33/1060708833.db2.gz QNPGCIWBNCZLBI-SQJMNOBHSA-N 1 0 491.640 2.788 20 30 JFEDRO C=C(C)COCCn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286613786 1060727048 /nfs/dbraw/zinc/72/70/48/1060727048.db2.gz FTNGLCYJVBVVKF-OFVILXPXSA-N 1 0 477.650 2.601 20 30 JFEDRO C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286613819 1060727635 /nfs/dbraw/zinc/72/76/35/1060727635.db2.gz GAZHJROHKDRONG-FYYLOGMGSA-N 1 0 488.677 2.534 20 30 JFEDRO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CC[NH+](CCC)CC1)c1ccccc1 ZINC001286616020 1060730696 /nfs/dbraw/zinc/73/06/96/1060730696.db2.gz ZSMORRABVHJWCL-IBGZPJMESA-N 1 0 460.648 2.912 20 30 JFEDRO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001286621091 1060737942 /nfs/dbraw/zinc/73/79/42/1060737942.db2.gz ZRKIKWUNQDGUDU-HKUYNNGSSA-N 1 0 467.039 2.599 20 30 JFEDRO C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286622637 1060739483 /nfs/dbraw/zinc/73/94/83/1060739483.db2.gz JJFBFUFPSAIERM-NRFANRHFSA-N 1 0 490.008 2.837 20 30 JFEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286651821 1060767326 /nfs/dbraw/zinc/76/73/26/1060767326.db2.gz MOUIOHOURYWBST-MOPGFXCFSA-N 1 0 452.669 2.945 20 30 JFEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001286654791 1060771956 /nfs/dbraw/zinc/77/19/56/1060771956.db2.gz KCKRVTFSRBKTNC-QFIPXVFZSA-N 1 0 487.670 2.988 20 30 JFEDRO C=CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001286673478 1060788411 /nfs/dbraw/zinc/78/84/11/1060788411.db2.gz COLCLQGGCRPUCN-QFIPXVFZSA-N 1 0 479.673 2.947 20 30 JFEDRO C=CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)CC1 ZINC001286673845 1060788522 /nfs/dbraw/zinc/78/85/22/1060788522.db2.gz HGJNWFANIQFWAO-UHFFFAOYSA-N 1 0 465.646 2.571 20 30 JFEDRO C=CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001286673465 1060788565 /nfs/dbraw/zinc/78/85/65/1060788565.db2.gz CHUOWGYXWSPYPN-QFIPXVFZSA-N 1 0 479.673 2.912 20 30 JFEDRO C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286683727 1060796583 /nfs/dbraw/zinc/79/65/83/1060796583.db2.gz YJJPZIZWHKCHNH-IOJLRTSASA-N 1 0 452.669 2.945 20 30 JFEDRO C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286685754 1060798221 /nfs/dbraw/zinc/79/82/21/1060798221.db2.gz YJFXPNAJXJUKMR-JOCHJYFZSA-N 1 0 453.635 2.928 20 30 JFEDRO C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286692179 1060803752 /nfs/dbraw/zinc/80/37/52/1060803752.db2.gz COYNUCXJTAFULL-UFYCRDLUSA-N 1 0 452.669 2.945 20 30 JFEDRO C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286699627 1060810408 /nfs/dbraw/zinc/81/04/08/1060810408.db2.gz FXHCMDTYVLVYRV-OAQYLSRUSA-N 1 0 490.649 2.854 20 30 JFEDRO C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[NH+]1CCN(CC)CC1 ZINC001286727319 1060848401 /nfs/dbraw/zinc/84/84/01/1060848401.db2.gz PHHJBAYYHHKGLY-NRFANRHFSA-N 1 0 491.681 2.626 20 30 JFEDRO C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001286745424 1060870261 /nfs/dbraw/zinc/87/02/61/1060870261.db2.gz VUDTYNLKDHQGGT-LOSJGSFVSA-N 1 0 473.593 2.717 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C)C(C)C ZINC001286751887 1060879870 /nfs/dbraw/zinc/87/98/70/1060879870.db2.gz VENBWBGCOWNSIF-VAMGGRTRSA-N 1 0 467.705 2.821 20 30 JFEDRO C=CCN(CC=C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCSCC1 ZINC001286758162 1060886052 /nfs/dbraw/zinc/88/60/52/1060886052.db2.gz FSASNAUIPRASON-LJQANCHMSA-N 1 0 478.663 2.814 20 30 JFEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286777713 1060914398 /nfs/dbraw/zinc/91/43/98/1060914398.db2.gz ILQRTDSMEMAEKS-OAQYLSRUSA-N 1 0 486.686 2.996 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001286783016 1060931519 /nfs/dbraw/zinc/93/15/19/1060931519.db2.gz CYESGINSLMMVQC-UHFFFAOYSA-N 1 0 465.989 2.926 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286783836 1060934872 /nfs/dbraw/zinc/93/48/72/1060934872.db2.gz NGRGLGPVUZZECI-MOPGFXCFSA-N 1 0 470.618 2.962 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286784211 1060937509 /nfs/dbraw/zinc/93/75/09/1060937509.db2.gz YRKQOAHZXIXOFH-UHFFFAOYSA-N 1 0 456.591 2.574 20 30 JFEDRO C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001286788272 1060946107 /nfs/dbraw/zinc/94/61/07/1060946107.db2.gz SWSWNCIBKLTJKJ-RBBKRZOGSA-N 1 0 452.603 2.923 20 30 JFEDRO C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286791383 1060956375 /nfs/dbraw/zinc/95/63/75/1060956375.db2.gz SFZBLCDKOFTCFY-OAQYLSRUSA-N 1 0 468.602 2.651 20 30 JFEDRO C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286792002 1060958896 /nfs/dbraw/zinc/95/88/96/1060958896.db2.gz JRGHWHLXRVIXQY-OAQYLSRUSA-N 1 0 452.603 2.841 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001286799211 1060981705 /nfs/dbraw/zinc/98/17/05/1060981705.db2.gz TXQIBWNLAAMVKE-NRFANRHFSA-N 1 0 471.005 2.905 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286809990 1061000068 /nfs/dbraw/zinc/00/00/68/1061000068.db2.gz MTVRELHJCGOFCS-CIAFKFPVSA-N 1 0 479.691 2.720 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001286810540 1061001342 /nfs/dbraw/zinc/00/13/42/1061001342.db2.gz SNOBWXQDNJXFPB-NJYVYQBISA-N 1 0 490.649 2.708 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001286810541 1061001858 /nfs/dbraw/zinc/00/18/58/1061001858.db2.gz SNOBWXQDNJXFPB-QHAWAJNXSA-N 1 0 490.649 2.708 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001286810628 1061001981 /nfs/dbraw/zinc/00/19/81/1061001981.db2.gz UDVDPOGEKSNBHZ-CTNGQTDRSA-N 1 0 465.664 2.616 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001286819262 1061040425 /nfs/dbraw/zinc/04/04/25/1061040425.db2.gz FTFPXSBXWAJOEC-JOCHJYFZSA-N 1 0 480.638 2.960 20 30 JFEDRO C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286831029 1061078646 /nfs/dbraw/zinc/07/86/46/1061078646.db2.gz ZPTJJHHRILQSEL-OAQYLSRUSA-N 1 0 454.644 2.916 20 30 JFEDRO C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286830825 1061078790 /nfs/dbraw/zinc/07/87/90/1061078790.db2.gz VKHJSZNOSXAMAO-KNQAVFIVSA-N 1 0 469.659 2.638 20 30 JFEDRO C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286833073 1061083156 /nfs/dbraw/zinc/08/31/56/1061083156.db2.gz UQCNIOLBVYRERR-YADHBBJMSA-N 1 0 478.707 2.670 20 30 JFEDRO C=CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001286835383 1061088244 /nfs/dbraw/zinc/08/82/44/1061088244.db2.gz WRULQAJUYRKHQV-QFIPXVFZSA-N 1 0 497.713 2.619 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)[C@H](C)C1 ZINC001286882188 1061309147 /nfs/dbraw/zinc/30/91/47/1061309147.db2.gz FDQRRXZDTGXOIY-GCJKJVERSA-N 1 0 477.569 2.682 20 30 JFEDRO CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286904038 1061407679 /nfs/dbraw/zinc/40/76/79/1061407679.db2.gz PONIPLKREXWLFK-MDMXATFFSA-N 1 0 453.591 2.562 20 30 JFEDRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001286913180 1061473035 /nfs/dbraw/zinc/47/30/35/1061473035.db2.gz SMOMTVNNXKYCBC-UNMCSNQZSA-N 1 0 477.569 2.730 20 30 JFEDRO CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286932064 1061559786 /nfs/dbraw/zinc/55/97/86/1061559786.db2.gz KOSADKGOIOCADM-XMMPIXPASA-N 1 0 479.629 2.526 20 30 JFEDRO CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC001286960749 1061733539 /nfs/dbraw/zinc/73/35/39/1061733539.db2.gz IVHIXPMVUYXZKP-IDISGSTGSA-N 1 0 496.656 2.920 20 30 JFEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001286964580 1061738961 /nfs/dbraw/zinc/73/89/61/1061738961.db2.gz CFCWLTSSBLSRMQ-OALUTQOASA-N 1 0 472.663 2.954 20 30 JFEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001286964582 1061739041 /nfs/dbraw/zinc/73/90/41/1061739041.db2.gz CFCWLTSSBLSRMQ-RBUKOAKNSA-N 1 0 472.663 2.954 20 30 JFEDRO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001286981860 1061822403 /nfs/dbraw/zinc/82/24/03/1061822403.db2.gz LMLVHSJTBQYNEC-GOTSBHOMSA-N 1 0 493.656 2.795 20 30 JFEDRO Cc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001290119008 1061848344 /nfs/dbraw/zinc/84/83/44/1061848344.db2.gz VAZIRRASAHLPJI-ZNTNEXAZSA-N 1 0 463.586 2.747 20 30 JFEDRO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001287014621 1061949033 /nfs/dbraw/zinc/94/90/33/1061949033.db2.gz JTHIFCVAMVSFEF-VXKWHMMOSA-N 1 0 452.603 2.915 20 30 JFEDRO CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001294394050 1061965411 /nfs/dbraw/zinc/96/54/11/1061965411.db2.gz WCDJBHQRFXHORC-HSZRJFAPSA-N 1 0 451.619 2.850 20 30 JFEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)C1 ZINC001294460790 1062008864 /nfs/dbraw/zinc/00/88/64/1062008864.db2.gz LGVYCXOCIYGDCK-HUFXOUDFSA-N 1 0 452.603 2.915 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001294507375 1062045003 /nfs/dbraw/zinc/04/50/03/1062045003.db2.gz QTCUBUSKCHJETR-HXUWFJFHSA-N 1 0 484.612 2.925 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(CC)CC)CC2)C1 ZINC001294649802 1062193260 /nfs/dbraw/zinc/19/32/60/1062193260.db2.gz RQZWJGOZYJVEKU-QHCPKHFHSA-N 1 0 492.672 2.539 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001294655328 1062199160 /nfs/dbraw/zinc/19/91/60/1062199160.db2.gz ATIHLEQIIIBZFH-PMACEKPBSA-N 1 0 451.623 2.922 20 30 JFEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 ZINC001294678371 1062238982 /nfs/dbraw/zinc/23/89/82/1062238982.db2.gz SPWXOTWXHZIWDW-UHFFFAOYSA-N 1 0 451.575 2.970 20 30 JFEDRO CC(C)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)C[NH+]1CCCC1 ZINC001287092918 1062290522 /nfs/dbraw/zinc/29/05/22/1062290522.db2.gz DUYMWXQIDOHMEG-HXUWFJFHSA-N 1 0 486.020 2.712 20 30 JFEDRO Cc1nccc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001290501877 1062295166 /nfs/dbraw/zinc/29/51/66/1062295166.db2.gz SUJAIOINCUJFCN-UHFFFAOYSA-N 1 0 489.628 2.884 20 30 JFEDRO CC(C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1)C[NH+]1CCCC1 ZINC001287095107 1062297967 /nfs/dbraw/zinc/29/79/67/1062297967.db2.gz TXYHIFJKIXRYEJ-UHFFFAOYSA-N 1 0 479.629 2.943 20 30 JFEDRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001287117188 1062350213 /nfs/dbraw/zinc/35/02/13/1062350213.db2.gz ZTZNTILGQUYXKK-NRFANRHFSA-N 1 0 467.643 2.607 20 30 JFEDRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001287122417 1062372423 /nfs/dbraw/zinc/37/24/23/1062372423.db2.gz GGERKWGEXOEOKF-QFIPXVFZSA-N 1 0 493.656 2.652 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(Cc4ccsc4)n3CCC[N@@H+](C)C(C)C)CC2)c1C#N ZINC001290577705 1062382667 /nfs/dbraw/zinc/38/26/67/1062382667.db2.gz QLBWFFUWYIHWKY-UHFFFAOYSA-N 1 0 481.674 2.901 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2)c1C#N ZINC001290578285 1062384694 /nfs/dbraw/zinc/38/46/94/1062384694.db2.gz XVYACWWWPXIXNL-DEOSSOPVSA-N 1 0 485.706 2.544 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001290591164 1062407227 /nfs/dbraw/zinc/40/72/27/1062407227.db2.gz OZPOXOXKLSWVGC-QFIPXVFZSA-N 1 0 475.645 2.696 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001290591163 1062407343 /nfs/dbraw/zinc/40/73/43/1062407343.db2.gz OZPOXOXKLSWVGC-JOCHJYFZSA-N 1 0 475.645 2.696 20 30 JFEDRO CC(C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001287142115 1062503180 /nfs/dbraw/zinc/50/31/80/1062503180.db2.gz YJGWEXSFEDGDRI-UHFFFAOYSA-N 1 0 486.624 2.620 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290633314 1062511031 /nfs/dbraw/zinc/51/10/31/1062511031.db2.gz QPWSJAMSVXEKRA-ZFGGDYGUSA-N 1 0 454.623 2.769 20 30 JFEDRO CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001294833651 1062523090 /nfs/dbraw/zinc/52/30/90/1062523090.db2.gz HMWLCLGLJBKERC-UHFFFAOYSA-N 1 0 479.629 2.956 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001290645590 1062535505 /nfs/dbraw/zinc/53/55/05/1062535505.db2.gz BKYURGTYOXCQMQ-JOCHJYFZSA-N 1 0 454.623 2.627 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001287156286 1062543055 /nfs/dbraw/zinc/54/30/55/1062543055.db2.gz HTAMRAWTYUHDGF-SIKLNZKXSA-N 1 0 457.510 2.652 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287158519 1062551614 /nfs/dbraw/zinc/55/16/14/1062551614.db2.gz SPEZEFJISMOZLI-QHCPKHFHSA-N 1 0 493.656 2.868 20 30 JFEDRO CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287216312 1062691664 /nfs/dbraw/zinc/69/16/64/1062691664.db2.gz MYXAXPRQKILNRN-QHCPKHFHSA-N 1 0 496.635 2.682 20 30 JFEDRO CC(C)C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001287334611 1062812753 /nfs/dbraw/zinc/81/27/53/1062812753.db2.gz YLCVUWKGABURJM-LJQANCHMSA-N 1 0 472.663 2.954 20 30 JFEDRO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001290997247 1062889170 /nfs/dbraw/zinc/88/91/70/1062889170.db2.gz BYRGIGPYSHRUGN-UGCAPWQASA-N 1 0 474.650 2.804 20 30 JFEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC[C@H]1COCCO1 ZINC001287456667 1062894479 /nfs/dbraw/zinc/89/44/79/1062894479.db2.gz HSLQCXODEUCYHJ-QHCPKHFHSA-N 1 0 452.603 2.866 20 30 JFEDRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291009849 1062907538 /nfs/dbraw/zinc/90/75/38/1062907538.db2.gz LQJLIKSOLZXQKA-SFTDATJTSA-N 1 0 499.685 2.656 20 30 JFEDRO CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001295083805 1062916456 /nfs/dbraw/zinc/91/64/56/1062916456.db2.gz LOMSKRWXTCUVOU-IBGZPJMESA-N 1 0 465.602 2.518 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001291012631 1062917556 /nfs/dbraw/zinc/91/75/56/1062917556.db2.gz BZPAFAZEUDROQK-FGZHOGPDSA-N 1 0 465.646 2.953 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 ZINC001291013278 1062920017 /nfs/dbraw/zinc/92/00/17/1062920017.db2.gz LBBRNUAZLSXRHY-SBHAEUEKSA-N 1 0 462.664 2.678 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001291015554 1062926114 /nfs/dbraw/zinc/92/61/14/1062926114.db2.gz SMVVLZRKYPGSSX-NJDAHSKKSA-N 1 0 479.629 2.764 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295165691 1062989633 /nfs/dbraw/zinc/98/96/33/1062989633.db2.gz UXPJKNBTCFEECU-NRFANRHFSA-N 1 0 456.616 2.562 20 30 JFEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295175011 1062998896 /nfs/dbraw/zinc/99/88/96/1062998896.db2.gz SXCNSDRNHRTODR-NRFANRHFSA-N 1 0 470.643 2.952 20 30 JFEDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001291103623 1063081427 /nfs/dbraw/zinc/08/14/27/1063081427.db2.gz IBCGFXUBJDLEBT-SIBVEZHUSA-N 1 0 479.629 2.941 20 30 JFEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001291103622 1063081679 /nfs/dbraw/zinc/08/16/79/1063081679.db2.gz IBCGFXUBJDLEBT-NIYFSFCBSA-N 1 0 479.629 2.941 20 30 JFEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104920 1063085908 /nfs/dbraw/zinc/08/59/08/1063085908.db2.gz BURVAUZNZMLLHU-DXIQSLLYSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001291136648 1063193371 /nfs/dbraw/zinc/19/33/71/1063193371.db2.gz BBMNPJLERNCMJQ-CYFREDJKSA-N 1 0 485.658 2.810 20 30 JFEDRO C[C@H]1CCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001291138901 1063200702 /nfs/dbraw/zinc/20/07/02/1063200702.db2.gz SIOPHSQWBUYPMH-SFHVURJKSA-N 1 0 477.535 2.897 20 30 JFEDRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001291139736 1063204716 /nfs/dbraw/zinc/20/47/16/1063204716.db2.gz JMKKKFIVHXJRPB-PRHHBONVSA-N 1 0 461.586 2.975 20 30 JFEDRO CC1CC[NH+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001291179958 1063270266 /nfs/dbraw/zinc/27/02/66/1063270266.db2.gz QQTMEBWFZHUBSH-OAQYLSRUSA-N 1 0 486.642 2.589 20 30 JFEDRO CC1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291181493 1063275311 /nfs/dbraw/zinc/27/53/11/1063275311.db2.gz JIPUBLJVDJAEPI-OAQYLSRUSA-N 1 0 456.616 2.562 20 30 JFEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295348214 1063290969 /nfs/dbraw/zinc/29/09/69/1063290969.db2.gz MWIIPGSWTKXZHG-UHFFFAOYSA-N 1 0 462.602 2.662 20 30 JFEDRO C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1O ZINC001291188866 1063305954 /nfs/dbraw/zinc/30/59/54/1063305954.db2.gz RUJMVNJRIDTQMG-NVJIOZQYSA-N 1 0 482.629 2.824 20 30 JFEDRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291194320 1063326975 /nfs/dbraw/zinc/32/69/75/1063326975.db2.gz VDCBORQCUVKVCX-LJQANCHMSA-N 1 0 465.602 2.518 20 30 JFEDRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C ZINC001291195285 1063333243 /nfs/dbraw/zinc/33/32/43/1063333243.db2.gz NOEXDVOGNTWKDB-PZJWPPBQSA-N 1 0 467.622 2.625 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001295384550 1063359807 /nfs/dbraw/zinc/35/98/07/1063359807.db2.gz HUMOLNLKDHLASM-RTBURBONSA-N 1 0 453.591 2.516 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001295388043 1063365452 /nfs/dbraw/zinc/36/54/52/1063365452.db2.gz HQWAHWZKLQVEFI-FQEVSTJZSA-N 1 0 459.602 2.587 20 30 JFEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC[NH+](C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291218525 1063443245 /nfs/dbraw/zinc/44/32/45/1063443245.db2.gz VCDONWJPYDDUCS-NQIIRXRSSA-N 1 0 483.617 2.744 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001295464298 1063466751 /nfs/dbraw/zinc/46/67/51/1063466751.db2.gz APLKQQMIMHXGGT-UHFFFAOYSA-N 1 0 463.508 2.806 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 ZINC001295475562 1063485811 /nfs/dbraw/zinc/48/58/11/1063485811.db2.gz ZIGKLILWRFMQJU-RUZDIDTESA-N 1 0 468.602 2.845 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2sc(C)nc2C)CC1 ZINC001295482575 1063502259 /nfs/dbraw/zinc/50/22/59/1063502259.db2.gz TZDJHPFXUOQYSC-UHFFFAOYSA-N 1 0 492.653 2.929 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCCCO2)CC1 ZINC001295482582 1063502952 /nfs/dbraw/zinc/50/29/52/1063502952.db2.gz UBTDHSQGRSMHRI-QHCPKHFHSA-N 1 0 479.629 2.766 20 30 JFEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001295510382 1063545364 /nfs/dbraw/zinc/54/53/64/1063545364.db2.gz YEQHEHACWSSOIO-GLEDVZQVSA-N 1 0 467.574 2.541 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001295527306 1063565501 /nfs/dbraw/zinc/56/55/01/1063565501.db2.gz HBLNYZWWMBNIQV-REWPJTCUSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295555030 1063589338 /nfs/dbraw/zinc/58/93/38/1063589338.db2.gz OODXMVBILWCYQY-CRAIPNDOSA-N 1 0 475.439 2.943 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001295570842 1063606862 /nfs/dbraw/zinc/60/68/62/1063606862.db2.gz WILROMLRUVBKGO-PTUXOGIPSA-N 1 0 468.602 2.843 20 30 JFEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288395 1063648254 /nfs/dbraw/zinc/64/82/54/1063648254.db2.gz RMAZONHNMWNXEE-XQBPLPMBSA-N 1 0 472.565 2.787 20 30 JFEDRO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295722020 1063737134 /nfs/dbraw/zinc/73/71/34/1063737134.db2.gz HTFJNSGCCNPEHV-DHIUTWEWSA-N 1 0 479.629 2.765 20 30 JFEDRO C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001291314798 1063747183 /nfs/dbraw/zinc/74/71/83/1063747183.db2.gz JSDXLZGPOHNHQT-UYAOXDASSA-N 1 0 456.616 2.517 20 30 JFEDRO C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCCC[NH+]2CCOCC2)CCOC1(C)C ZINC001291320061 1063758858 /nfs/dbraw/zinc/75/88/58/1063758858.db2.gz LNPIRZVYEAPNCE-FQEVSTJZSA-N 1 0 468.602 2.845 20 30 JFEDRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295755284 1063761691 /nfs/dbraw/zinc/76/16/91/1063761691.db2.gz XAUGLVWORMURJK-PKTZIBPZSA-N 1 0 479.629 2.765 20 30 JFEDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001291337882 1063806168 /nfs/dbraw/zinc/80/61/68/1063806168.db2.gz IQZGROZEKUJHEA-QFIPXVFZSA-N 1 0 479.629 2.547 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295834355 1063850544 /nfs/dbraw/zinc/85/05/44/1063850544.db2.gz RDITUVABOMARJO-PXDATVDWSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)CCC(F)(F)F ZINC001295865433 1063897216 /nfs/dbraw/zinc/89/72/16/1063897216.db2.gz KLOFOPANAYQYBV-KRWDZBQOSA-N 1 0 493.534 2.670 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)CCC(F)(F)F ZINC001295865434 1063897291 /nfs/dbraw/zinc/89/72/91/1063897291.db2.gz KLOFOPANAYQYBV-QGZVFWFLSA-N 1 0 493.534 2.670 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001295879191 1063922181 /nfs/dbraw/zinc/92/21/81/1063922181.db2.gz XGUNZUDSPVVSNH-RTBURBONSA-N 1 0 458.632 2.808 20 30 JFEDRO CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC001295905861 1063961814 /nfs/dbraw/zinc/96/18/14/1063961814.db2.gz RNMZMRDOTKYBLD-QHCPKHFHSA-N 1 0 489.628 2.612 20 30 JFEDRO CCn1cccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1=O ZINC001295950116 1064000725 /nfs/dbraw/zinc/00/07/25/1064000725.db2.gz AUONDTIPOCVWMP-UHFFFAOYSA-N 1 0 475.597 2.879 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296010857 1064069587 /nfs/dbraw/zinc/06/95/87/1064069587.db2.gz MRLHMBUYOZTTSJ-QTEQDKRBSA-N 1 0 479.629 2.906 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001296024371 1064084024 /nfs/dbraw/zinc/08/40/24/1064084024.db2.gz YKPWBILKTQFHEE-UHFFFAOYSA-N 1 0 451.619 2.707 20 30 JFEDRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001296072838 1064137584 /nfs/dbraw/zinc/13/75/84/1064137584.db2.gz FVDLXIFYIFOICA-QFIPXVFZSA-N 1 0 465.602 2.566 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001296089790 1064161220 /nfs/dbraw/zinc/16/12/20/1064161220.db2.gz RTGNPTSEKDHXKS-RTWAWAEBSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001296094426 1064166630 /nfs/dbraw/zinc/16/66/30/1064166630.db2.gz ABFTVRWLWVYWHP-NRFANRHFSA-N 1 0 465.602 2.695 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001296127163 1064221251 /nfs/dbraw/zinc/22/12/51/1064221251.db2.gz UBBKOQIAUDBDRJ-UNMCSNQZSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001296132287 1064229331 /nfs/dbraw/zinc/22/93/31/1064229331.db2.gz AJSKMLJJKWHETC-IBGZPJMESA-N 1 0 455.582 2.762 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001291765550 1064246123 /nfs/dbraw/zinc/24/61/23/1064246123.db2.gz MUTMNEJCRBOMOZ-WIYYLYMNSA-N 1 0 467.618 2.869 20 30 JFEDRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001296141698 1064247492 /nfs/dbraw/zinc/24/74/92/1064247492.db2.gz FYLXVCRBZRLHJC-KACAORKUSA-N 1 0 497.575 2.614 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001291782483 1064271300 /nfs/dbraw/zinc/27/13/00/1064271300.db2.gz DOBYSWKQFWYICP-OAQYLSRUSA-N 1 0 478.645 2.719 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001291783125 1064275303 /nfs/dbraw/zinc/27/53/03/1064275303.db2.gz JIXWFIYFXUSOSU-LJQANCHMSA-N 1 0 493.591 2.715 20 30 JFEDRO CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291804501 1064322195 /nfs/dbraw/zinc/32/21/95/1064322195.db2.gz QHHSVUCPGDIVPD-UNMCSNQZSA-N 1 0 479.629 2.670 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191133 1064341011 /nfs/dbraw/zinc/34/10/11/1064341011.db2.gz HFBPWHYSNSMEBH-NFBKMPQASA-N 1 0 451.619 2.564 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001296193120 1064348023 /nfs/dbraw/zinc/34/80/23/1064348023.db2.gz HNHNYSXQMRXEIQ-RBUKOAKNSA-N 1 0 453.591 2.686 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296203868 1064384127 /nfs/dbraw/zinc/38/41/27/1064384127.db2.gz QITMLZRSSBOKGV-XMMPIXPASA-N 1 0 473.572 2.856 20 30 JFEDRO CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2c1=O ZINC001296214281 1064411934 /nfs/dbraw/zinc/41/19/34/1064411934.db2.gz KNBQXSHFOUTVFL-AQNXPRMDSA-N 1 0 492.628 2.770 20 30 JFEDRO CC[NH+]1CCN(CCCn2c(N3CCN(c4ccccc4C#N)CC3)nnc2C(C)(C)C)CC1 ZINC001296215355 1064417470 /nfs/dbraw/zinc/41/74/70/1064417470.db2.gz RRHCYLCQMZLVLN-UHFFFAOYSA-N 1 0 464.662 2.801 20 30 JFEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001291950924 1064562546 /nfs/dbraw/zinc/56/25/46/1064562546.db2.gz AYZDYZOFXPIMQE-GOTSBHOMSA-N 1 0 463.586 2.683 20 30 JFEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001291950926 1064562564 /nfs/dbraw/zinc/56/25/64/1064562564.db2.gz AYZDYZOFXPIMQE-XZOQPEGZSA-N 1 0 463.586 2.683 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296307171 1064587373 /nfs/dbraw/zinc/58/73/73/1064587373.db2.gz CGKLJAGIWCVXEK-VQTJNVASSA-N 1 0 464.618 2.789 20 30 JFEDRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001296330027 1064629163 /nfs/dbraw/zinc/62/91/63/1064629163.db2.gz OROYPIYMXCVLCL-VQTJNVASSA-N 1 0 499.666 2.699 20 30 JFEDRO CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001292251982 1065033856 /nfs/dbraw/zinc/03/38/56/1065033856.db2.gz LEEJJHAHNPSROR-NRFANRHFSA-N 1 0 465.602 2.566 20 30 JFEDRO CCc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)[NH+](C)C)cc1 ZINC001292457318 1065179548 /nfs/dbraw/zinc/17/95/48/1065179548.db2.gz JWUPZXHNNDXUES-YKSBVNFPSA-N 1 0 453.566 2.821 20 30 JFEDRO CCc1ccc([C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC001292460595 1065189136 /nfs/dbraw/zinc/18/91/36/1065189136.db2.gz JEQGASMYHXUUGO-AFXVXQJMSA-N 1 0 468.602 2.596 20 30 JFEDRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCNC(=O)C2N=CC=CC2=O)cc1 ZINC001292483196 1065204739 /nfs/dbraw/zinc/20/47/39/1065204739.db2.gz BYBJKJUGUJZZEW-GFJFTICVSA-N 1 0 477.613 2.953 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001292599603 1065320242 /nfs/dbraw/zinc/32/02/42/1065320242.db2.gz XVVDWWYLOIIIOH-HYBUGGRVSA-N 1 0 456.566 2.708 20 30 JFEDRO CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)s1 ZINC001292785782 1065547943 /nfs/dbraw/zinc/54/79/43/1065547943.db2.gz OQFNAZZMWFWSSA-IBGZPJMESA-N 1 0 466.615 2.826 20 30 JFEDRO CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001293097701 1065748237 /nfs/dbraw/zinc/74/82/37/1065748237.db2.gz UFZWZHAERYCDCK-UHFFFAOYSA-N 1 0 453.639 2.737 20 30 JFEDRO CCc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001293199530 1065828357 /nfs/dbraw/zinc/82/83/57/1065828357.db2.gz UHBJOFLHMWAYEJ-SFHVURJKSA-N 1 0 479.585 2.793 20 30 JFEDRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001293218477 1065862345 /nfs/dbraw/zinc/86/23/45/1065862345.db2.gz QZPQYFCCJDGBSD-GOSISDBHSA-N 1 0 463.508 2.806 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC[N@@H+]1CCOC ZINC001293541600 1066061365 /nfs/dbraw/zinc/06/13/65/1066061365.db2.gz KBEBHUSISWPTMM-MZYLBHOOSA-N 1 0 452.603 2.915 20 30 JFEDRO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001293559326 1066073461 /nfs/dbraw/zinc/07/34/61/1066073461.db2.gz AQYLFDIWHDFLTK-JTHBVZDNSA-N 1 0 465.646 2.952 20 30 JFEDRO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001293642031 1066158192 /nfs/dbraw/zinc/15/81/92/1066158192.db2.gz ZXXINVIKJRVKSC-HXUWFJFHSA-N 1 0 465.558 2.621 20 30 JFEDRO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001293767071 1066257424 /nfs/dbraw/zinc/25/74/24/1066257424.db2.gz SVTCXPCMHGCORJ-UHFFFAOYSA-N 1 0 492.672 2.728 20 30 JFEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)OC)CC2)CC1 ZINC001164618053 719032152 /nfs/dbraw/zinc/03/21/52/719032152.db2.gz RMQBKSNXYDDTAB-IBGZPJMESA-N 1 0 465.554 2.654 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001164684483 719728363 /nfs/dbraw/zinc/72/83/63/719728363.db2.gz HJQJFHVYIGSZAD-UHFFFAOYSA-N 1 0 469.920 2.509 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739180 720820965 /nfs/dbraw/zinc/82/09/65/720820965.db2.gz HNAVQNUWPRVYMV-QWFCFKBJSA-N 1 0 469.977 2.754 20 30 JFEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164750325 720857702 /nfs/dbraw/zinc/85/77/02/720857702.db2.gz PMFLBXVTDTUGJJ-GREBRCKQSA-N 1 0 458.526 2.986 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867205 721111412 /nfs/dbraw/zinc/11/14/12/721111412.db2.gz WVEYTJKMYFBECH-VXKWHMMOSA-N 1 0 464.642 2.972 20 30 JFEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC2)C1 ZINC001164879793 721262799 /nfs/dbraw/zinc/26/27/99/721262799.db2.gz ZCGSBNXMPRBKGJ-UHFFFAOYSA-N 1 0 476.355 2.812 20 30 JFEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 ZINC001164934596 721879444 /nfs/dbraw/zinc/87/94/44/721879444.db2.gz SGHZFUHYZDOSGM-WXFUMESZSA-N 1 0 490.633 2.883 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979662 722142423 /nfs/dbraw/zinc/14/24/23/722142423.db2.gz LROTUGYIDKFYOR-TXTKFYIRSA-N 1 0 472.549 2.532 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286273723 1060031419 /nfs/dbraw/zinc/03/14/19/1060031419.db2.gz GICPLNWNNMWBLX-IBVKSMDESA-N 1 0 451.615 2.876 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC[N@H+]1CC ZINC001286294832 1060048826 /nfs/dbraw/zinc/04/88/26/1060048826.db2.gz FRDYJIWGADUGMZ-ZCNNSNEGSA-N 1 0 460.623 2.919 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001286300808 1060052725 /nfs/dbraw/zinc/05/27/25/1060052725.db2.gz XUGIEBWHOAWBEM-HTAPYJJXSA-N 1 0 450.612 2.707 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001286301194 1060053592 /nfs/dbraw/zinc/05/35/92/1060053592.db2.gz AUIIZLOWANAXOX-DEOSSOPVSA-N 1 0 491.684 2.893 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286306504 1060058728 /nfs/dbraw/zinc/05/87/28/1060058728.db2.gz VSEJDBVORRLPSY-HXUWFJFHSA-N 1 0 455.603 2.949 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001286309360 1060063559 /nfs/dbraw/zinc/06/35/59/1060063559.db2.gz KRTJRBWPCXUIDP-JOCHJYFZSA-N 1 0 450.587 2.569 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC2CC[NH+](CC)CC2)c1 ZINC001286311946 1060071901 /nfs/dbraw/zinc/07/19/01/1060071901.db2.gz SHTURYYZHXDVBZ-JOCHJYFZSA-N 1 0 464.614 2.960 20 30 JFEDRO C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001286314173 1060074953 /nfs/dbraw/zinc/07/49/53/1060074953.db2.gz LOYOOFNVSPSMSJ-NRFANRHFSA-N 1 0 485.032 2.824 20 30 JFEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001286333358 1060086432 /nfs/dbraw/zinc/08/64/32/1060086432.db2.gz FFGJQGJHJRMRLO-HSZRJFAPSA-N 1 0 478.641 2.836 20 30 JFEDRO C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286337829 1060092391 /nfs/dbraw/zinc/09/23/91/1060092391.db2.gz WHHGJHUYLKNEAS-IBGZPJMESA-N 1 0 474.451 2.676 20 30 JFEDRO C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286337779 1060092492 /nfs/dbraw/zinc/09/24/92/1060092492.db2.gz ULZGYSHMCSMNPP-UHFFFAOYSA-N 1 0 461.408 2.998 20 30 JFEDRO C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286338337 1060093312 /nfs/dbraw/zinc/09/33/12/1060093312.db2.gz LPDBREKQUIJOQH-UHFFFAOYSA-N 1 0 471.005 2.576 20 30 JFEDRO C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286342474 1060097855 /nfs/dbraw/zinc/09/78/55/1060097855.db2.gz QUTWQKGBAXRLPE-URXFXBBRSA-N 1 0 494.640 2.973 20 30 JFEDRO C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286343681 1060098837 /nfs/dbraw/zinc/09/88/37/1060098837.db2.gz BKNOPDHBXGOKFW-OAQYLSRUSA-N 1 0 480.613 2.509 20 30 JFEDRO C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286355852 1060112059 /nfs/dbraw/zinc/11/20/59/1060112059.db2.gz CDWOILJXHOHAPL-XUZZJYLKSA-N 1 0 463.634 2.806 20 30 JFEDRO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001286367543 1060131194 /nfs/dbraw/zinc/13/11/94/1060131194.db2.gz AZECHQGOOJRFCZ-UHFFFAOYSA-N 1 0 451.438 2.865 20 30 JFEDRO C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286368609 1060132103 /nfs/dbraw/zinc/13/21/03/1060132103.db2.gz WNQBRNQVTABZAS-INIZCTEOSA-N 1 0 450.356 2.763 20 30 JFEDRO C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001286376879 1060140103 /nfs/dbraw/zinc/14/01/03/1060140103.db2.gz PNRBDODNUPKHII-QFIPXVFZSA-N 1 0 495.628 2.968 20 30 JFEDRO C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001286378696 1060142274 /nfs/dbraw/zinc/14/22/74/1060142274.db2.gz WZFCHZFKLWEOMA-IBGZPJMESA-N 1 0 489.462 2.963 20 30 JFEDRO C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286384898 1060171379 /nfs/dbraw/zinc/17/13/79/1060171379.db2.gz KQCWNZQGXQNWPW-ZCNNSNEGSA-N 1 0 463.692 2.959 20 30 JFEDRO C#CCN(c1nnc(-c2cccc3cccnc32)n1C[C@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286387787 1060203954 /nfs/dbraw/zinc/20/39/54/1060203954.db2.gz ICGQXPHNRJZKBP-FPOVZHCZSA-N 1 0 480.638 2.850 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387989 1060205796 /nfs/dbraw/zinc/20/57/96/1060205796.db2.gz JPFJBSAJEXENCN-QFIPXVFZSA-N 1 0 455.628 2.620 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388603 1060213086 /nfs/dbraw/zinc/21/30/86/1060213086.db2.gz SGXJOAXLVBSZCX-RTBURBONSA-N 1 0 479.050 2.597 20 30 JFEDRO C#CCN(c1nnc(COc2cc(C)ccc2C(C)C)n1C[C@@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286393036 1060241764 /nfs/dbraw/zinc/24/17/64/1060241764.db2.gz DHNBYKVRSDFOKW-RTWAWAEBSA-N 1 0 487.670 2.866 20 30 JFEDRO C#CCN(c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286394185 1060248758 /nfs/dbraw/zinc/24/87/58/1060248758.db2.gz VECYESAMVNVAGP-CTNGQTDRSA-N 1 0 475.684 2.822 20 30 JFEDRO C#CCN(c1nnc(CC(C)C)n1Cc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001286395967 1060259044 /nfs/dbraw/zinc/25/90/44/1060259044.db2.gz USEQPFBXTCBFHO-QFIPXVFZSA-N 1 0 457.644 2.603 20 30 JFEDRO C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC001286396475 1060262964 /nfs/dbraw/zinc/26/29/64/1060262964.db2.gz UYMJLPHASOUBQR-REWPJTCUSA-N 1 0 483.682 2.940 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](CC)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286396638 1060264096 /nfs/dbraw/zinc/26/40/96/1060264096.db2.gz WJUOIEUXCMGCNX-XZOQPEGZSA-N 1 0 469.655 2.678 20 30 JFEDRO C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001286397056 1060266722 /nfs/dbraw/zinc/26/67/22/1060266722.db2.gz KEHPAMBIWQHZDA-QFIPXVFZSA-N 1 0 455.566 2.864 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1CCC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397785 1060270045 /nfs/dbraw/zinc/27/00/45/1060270045.db2.gz UUDCOVTXUYDJBU-HSZRJFAPSA-N 1 0 499.681 2.914 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001286401288 1060282391 /nfs/dbraw/zinc/28/23/91/1060282391.db2.gz KETKJTRQHMUGAE-FQEVSTJZSA-N 1 0 467.639 2.932 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001286401046 1060282497 /nfs/dbraw/zinc/28/24/97/1060282497.db2.gz NDFBJKILZOKKAU-FQEVSTJZSA-N 1 0 481.670 2.740 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286401740 1060283810 /nfs/dbraw/zinc/28/38/10/1060283810.db2.gz RAGMGANPCXMZMW-NRFANRHFSA-N 1 0 497.441 2.723 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001286402454 1060284992 /nfs/dbraw/zinc/28/49/92/1060284992.db2.gz XKJMOIUULFBUHS-UHFFFAOYSA-N 1 0 488.617 2.733 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc3cccnc32)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001286402671 1060285358 /nfs/dbraw/zinc/28/53/58/1060285358.db2.gz HDJRYALIAFIBKV-UHFFFAOYSA-N 1 0 455.610 2.840 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@H+]1CC=CCC1 ZINC001286408067 1060290214 /nfs/dbraw/zinc/29/02/14/1060290214.db2.gz ALKNQFBVBGWWRD-UHFFFAOYSA-N 1 0 455.566 2.571 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001286408094 1060290286 /nfs/dbraw/zinc/29/02/86/1060290286.db2.gz BQEYOFXOKKWLIK-OAQYLSRUSA-N 1 0 471.590 2.629 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286409159 1060294606 /nfs/dbraw/zinc/29/46/06/1060294606.db2.gz INTPYFXZKUMGIA-UXHICEINSA-N 1 0 482.585 2.555 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001286418497 1060306022 /nfs/dbraw/zinc/30/60/22/1060306022.db2.gz CIWCBDOTPLGUPM-IBGZPJMESA-N 1 0 452.990 2.809 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286420348 1060308212 /nfs/dbraw/zinc/30/82/12/1060308212.db2.gz DFIRZXSRPDYIOH-NRFANRHFSA-N 1 0 467.639 2.934 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001286421424 1060309060 /nfs/dbraw/zinc/30/90/60/1060309060.db2.gz DDVRTNDMFNXZIX-FQEVSTJZSA-N 1 0 481.670 2.741 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001286422390 1060310360 /nfs/dbraw/zinc/31/03/60/1060310360.db2.gz LXEFAZGEJVXFGS-AREMUKBSSA-N 1 0 462.598 2.745 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286428494 1060318515 /nfs/dbraw/zinc/31/85/15/1060318515.db2.gz SUUXEKCTAGLMBT-SFTDATJTSA-N 1 0 496.612 2.945 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001286432271 1060323476 /nfs/dbraw/zinc/32/34/76/1060323476.db2.gz CWNOJHJUEROABO-RSXGOPAZSA-N 1 0 474.653 2.657 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286432557 1060323826 /nfs/dbraw/zinc/32/38/26/1060323826.db2.gz ONBGVWJBAXHRNS-HSZRJFAPSA-N 1 0 457.626 2.770 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286432652 1060324369 /nfs/dbraw/zinc/32/43/69/1060324369.db2.gz SDNBMWXICMAXNC-HXUWFJFHSA-N 1 0 452.628 2.855 20 30 JFEDRO C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCC[NH+]1CCN(CC)CC1 ZINC001286436480 1060327937 /nfs/dbraw/zinc/32/79/37/1060327937.db2.gz KDJRGJMCPIRBLF-UHFFFAOYSA-N 1 0 476.467 2.923 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286439621 1060331152 /nfs/dbraw/zinc/33/11/52/1060331152.db2.gz UCELHPGCRZVWAX-VWLOTQADSA-N 1 0 498.635 2.536 20 30 JFEDRO C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286449066 1060334392 /nfs/dbraw/zinc/33/43/92/1060334392.db2.gz JGQIQQNYPZKGSX-HSZRJFAPSA-N 1 0 461.614 2.752 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286460289 1060344324 /nfs/dbraw/zinc/34/43/24/1060344324.db2.gz DCPAREPAKNPDHJ-UHFFFAOYSA-N 1 0 492.647 2.945 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286460616 1060345150 /nfs/dbraw/zinc/34/51/50/1060345150.db2.gz HJYGGUADKWCZEM-NRFANRHFSA-N 1 0 482.604 2.680 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286462629 1060349254 /nfs/dbraw/zinc/34/92/54/1060349254.db2.gz PMKZGDZMICTWEZ-LJQANCHMSA-N 1 0 463.586 2.802 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001286472946 1060371609 /nfs/dbraw/zinc/37/16/09/1060371609.db2.gz XTAGNRKXMVTFMS-FYYLOGMGSA-N 1 0 458.651 2.554 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001286473117 1060373353 /nfs/dbraw/zinc/37/33/53/1060373353.db2.gz ISFSZNMCHAUULD-UHFFFAOYSA-N 1 0 462.440 2.910 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286473507 1060375485 /nfs/dbraw/zinc/37/54/85/1060375485.db2.gz NWTMUMXNAWLSHQ-OAQYLSRUSA-N 1 0 454.619 2.694 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286473763 1060377420 /nfs/dbraw/zinc/37/74/20/1060377420.db2.gz SVIGLQIETBEOKO-RUZDIDTESA-N 1 0 480.657 2.846 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001286474875 1060388094 /nfs/dbraw/zinc/38/80/94/1060388094.db2.gz SNPNCIHRTCEPFM-UHFFFAOYSA-N 1 0 454.619 2.836 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286475098 1060388763 /nfs/dbraw/zinc/38/87/63/1060388763.db2.gz QMPRGMTVAXFHPH-VWLOTQADSA-N 1 0 475.641 2.709 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)CC1 ZINC001286476482 1060392250 /nfs/dbraw/zinc/39/22/50/1060392250.db2.gz XZHBFKILWWSZQM-UHFFFAOYSA-N 1 0 475.460 2.512 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286479582 1060396890 /nfs/dbraw/zinc/39/68/90/1060396890.db2.gz VRUFINLDMFJZAD-NRFANRHFSA-N 1 0 471.049 2.778 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286480011 1060398494 /nfs/dbraw/zinc/39/84/94/1060398494.db2.gz JOLSALIDJFNBBS-RTWAWAEBSA-N 1 0 485.677 2.631 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286480878 1060399798 /nfs/dbraw/zinc/39/97/98/1060399798.db2.gz QCDKVOJJATZFDW-NRFANRHFSA-N 1 0 485.677 2.632 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286480879 1060399917 /nfs/dbraw/zinc/39/99/17/1060399917.db2.gz QCDKVOJJATZFDW-OAQYLSRUSA-N 1 0 485.677 2.632 20 30 JFEDRO C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286483790 1060410180 /nfs/dbraw/zinc/41/01/80/1060410180.db2.gz YYSYTPOTFOISHH-GOTSBHOMSA-N 1 0 464.658 2.706 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286484178 1060414198 /nfs/dbraw/zinc/41/41/98/1060414198.db2.gz JSKJEMWFBOVNSK-JOCHJYFZSA-N 1 0 454.594 2.872 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(Br)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286484215 1060415206 /nfs/dbraw/zinc/41/52/06/1060415206.db2.gz GPLGTZNOLBBNSV-UHFFFAOYSA-N 1 0 489.462 2.963 20 30 JFEDRO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286484550 1060418318 /nfs/dbraw/zinc/41/83/18/1060418318.db2.gz MEONMAQTWOBBJS-FQEVSTJZSA-N 1 0 483.686 2.535 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001286487258 1060442361 /nfs/dbraw/zinc/44/23/61/1060442361.db2.gz FAOBBAWWMZOVTF-QHCPKHFHSA-N 1 0 499.059 2.801 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCCCCC2)CC1 ZINC001286489419 1060462893 /nfs/dbraw/zinc/46/28/93/1060462893.db2.gz RPCDEVRBHBVDNH-UHFFFAOYSA-N 1 0 494.640 2.804 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC001286490005 1060471332 /nfs/dbraw/zinc/47/13/32/1060471332.db2.gz FSFBSOGLDCURNU-HSZRJFAPSA-N 1 0 465.646 2.981 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286490406 1060475143 /nfs/dbraw/zinc/47/51/43/1060475143.db2.gz UBNRDJLQEKLDTH-JOCHJYFZSA-N 1 0 451.619 2.750 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286492101 1060493176 /nfs/dbraw/zinc/49/31/76/1060493176.db2.gz HBIOCLWAHGDVNP-OAQYLSRUSA-N 1 0 494.640 2.563 20 30 JFEDRO C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001286499193 1060521011 /nfs/dbraw/zinc/52/10/11/1060521011.db2.gz FTCZPPYYVVAZSE-UHFFFAOYSA-N 1 0 455.628 2.869 20 30 JFEDRO C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286503338 1060527448 /nfs/dbraw/zinc/52/74/48/1060527448.db2.gz DKSJGSFBOCDJDG-FQEVSTJZSA-N 1 0 473.046 2.708 20 30 JFEDRO C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001286505135 1060532129 /nfs/dbraw/zinc/53/21/29/1060532129.db2.gz VOKJTESNCHDDOR-SFTDATJTSA-N 1 0 452.628 2.696 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001286516260 1060551989 /nfs/dbraw/zinc/55/19/89/1060551989.db2.gz ZGQUNSDLPSICNZ-HHHXNRCGSA-N 1 0 496.656 2.989 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001286518105 1060553936 /nfs/dbraw/zinc/55/39/36/1060553936.db2.gz YYMKYLLTXMKTMP-SIKLNZKXSA-N 1 0 494.731 2.632 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286524019 1060558634 /nfs/dbraw/zinc/55/86/34/1060558634.db2.gz GMFAGKHMSYEFSW-HFZDXXHNSA-N 1 0 450.631 2.896 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001286527181 1060559612 /nfs/dbraw/zinc/55/96/12/1060559612.db2.gz DDPHHYSMVHZLSU-WXVAWEFUSA-N 1 0 475.641 2.994 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC(=O)NC(C)(C)C ZINC001286527613 1060560118 /nfs/dbraw/zinc/56/01/18/1060560118.db2.gz FTXGOJHZUHIWRN-MUUNZHRXSA-N 1 0 491.684 2.940 20 30 JFEDRO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001286538135 1060580554 /nfs/dbraw/zinc/58/05/54/1060580554.db2.gz JJUBVOCNLJIRED-ZWKOTPCHSA-N 1 0 459.392 2.849 20 30 JFEDRO C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286540411 1060583622 /nfs/dbraw/zinc/58/36/22/1060583622.db2.gz AQNZOXCBFABKOK-JENIJYKNSA-N 1 0 478.439 2.943 20 30 JFEDRO C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286542626 1060588004 /nfs/dbraw/zinc/58/80/04/1060588004.db2.gz CUHKTIVEHGACBA-DNVCBOLYSA-N 1 0 465.440 2.518 20 30 JFEDRO C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286542630 1060588472 /nfs/dbraw/zinc/58/84/72/1060588472.db2.gz CUHKTIVEHGACBA-KXBFYZLASA-N 1 0 465.440 2.518 20 30 JFEDRO C=C(Br)Cn1c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 ZINC001286548741 1060603941 /nfs/dbraw/zinc/60/39/41/1060603941.db2.gz QCJIXNIYRJJYKY-UWJYYQICSA-N 1 0 484.439 2.528 20 30 JFEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286565907 1060652662 /nfs/dbraw/zinc/65/26/62/1060652662.db2.gz QJPPWRKJTJRXPS-NFBKMPQASA-N 1 0 458.651 2.940 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001286603174 1060705486 /nfs/dbraw/zinc/70/54/86/1060705486.db2.gz NUZYCEMJWBFVJS-IBGZPJMESA-N 1 0 456.547 2.605 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286604150 1060707561 /nfs/dbraw/zinc/70/75/61/1060707561.db2.gz GMOWKRSACLPOCQ-UXHICEINSA-N 1 0 490.674 2.707 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001286605471 1060712716 /nfs/dbraw/zinc/71/27/16/1060712716.db2.gz XIYQYDZWJKFJOB-HXUWFJFHSA-N 1 0 459.616 2.616 20 30 JFEDRO C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286607502 1060717396 /nfs/dbraw/zinc/71/73/96/1060717396.db2.gz QNKNZCOGJDLPJJ-MOPGFXCFSA-N 1 0 475.663 2.750 20 30 JFEDRO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001286611596 1060722645 /nfs/dbraw/zinc/72/26/45/1060722645.db2.gz MVUIPRJZEFQLOG-QFIPXVFZSA-N 1 0 458.651 2.942 20 30 JFEDRO C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001286613155 1060725598 /nfs/dbraw/zinc/72/55/98/1060725598.db2.gz SBLQPZFSUIWQMI-UHFFFAOYSA-N 1 0 484.693 2.727 20 30 JFEDRO C=C(Cn1c(COCC)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC001286618995 1060734819 /nfs/dbraw/zinc/73/48/19/1060734819.db2.gz LAUYKKPFKRUBNQ-ZJSXRUAMSA-N 1 0 466.630 2.907 20 30 JFEDRO C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286624098 1060742286 /nfs/dbraw/zinc/74/22/86/1060742286.db2.gz SAYFBLZXASIGLJ-IBGZPJMESA-N 1 0 461.010 2.931 20 30 JFEDRO C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286626443 1060744734 /nfs/dbraw/zinc/74/47/34/1060744734.db2.gz WOHGMXGJJJFAPU-LJQANCHMSA-N 1 0 461.010 2.931 20 30 JFEDRO C=C(Cl)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001286631589 1060752169 /nfs/dbraw/zinc/75/21/69/1060752169.db2.gz QFMBBLFBASJLFE-UHFFFAOYSA-N 1 0 486.064 2.842 20 30 JFEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001286651352 1060766769 /nfs/dbraw/zinc/76/67/69/1060766769.db2.gz BFPYRIMKRBFZCU-SPEDKVCISA-N 1 0 452.669 2.801 20 30 JFEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001286652547 1060768787 /nfs/dbraw/zinc/76/87/87/1060768787.db2.gz YVRWPVYWNQTJIO-HKUYNNGSSA-N 1 0 462.620 2.721 20 30 JFEDRO C=CC1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001286662880 1060774441 /nfs/dbraw/zinc/77/44/41/1060774441.db2.gz ZQUPYUVGUHWBTD-JOCHJYFZSA-N 1 0 451.619 2.609 20 30 JFEDRO C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001286665044 1060777589 /nfs/dbraw/zinc/77/75/89/1060777589.db2.gz PTPPVYSBEBCWJQ-UHFFFAOYSA-N 1 0 454.667 2.816 20 30 JFEDRO C=CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001286673464 1060788437 /nfs/dbraw/zinc/78/84/37/1060788437.db2.gz CHUOWGYXWSPYPN-JOCHJYFZSA-N 1 0 479.673 2.912 20 30 JFEDRO C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286708647 1060823924 /nfs/dbraw/zinc/82/39/24/1060823924.db2.gz RMRCFKVHOBQSSN-BWKNWUBXSA-N 1 0 491.640 2.788 20 30 JFEDRO C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286708652 1060824917 /nfs/dbraw/zinc/82/49/17/1060824917.db2.gz RMRCFKVHOBQSSN-PXDATVDWSA-N 1 0 491.640 2.788 20 30 JFEDRO C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001286713160 1060837224 /nfs/dbraw/zinc/83/72/24/1060837224.db2.gz CFARCTJESOVDIR-JZXOWHBKSA-N 1 0 452.650 2.655 20 30 JFEDRO C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001286715909 1060840475 /nfs/dbraw/zinc/84/04/75/1060840475.db2.gz XTYRCGDTSLAQBK-HXUWFJFHSA-N 1 0 461.010 2.841 20 30 JFEDRO C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001286722055 1060845129 /nfs/dbraw/zinc/84/51/29/1060845129.db2.gz BFAXWGKPZDVGMF-JOCHJYFZSA-N 1 0 479.629 2.951 20 30 JFEDRO C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286731360 1060850312 /nfs/dbraw/zinc/85/03/12/1060850312.db2.gz JKJNRQQDVNOPNA-FUDKSRODSA-N 1 0 454.619 2.835 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)C(C)C ZINC001286750990 1060878257 /nfs/dbraw/zinc/87/82/57/1060878257.db2.gz KPDUWJIUVPODAS-BAGYTPMASA-N 1 0 464.618 2.681 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001286766789 1060896059 /nfs/dbraw/zinc/89/60/59/1060896059.db2.gz WMQSCFPIOKZFAW-VQTJNVASSA-N 1 0 461.632 2.883 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286779721 1060921186 /nfs/dbraw/zinc/92/11/86/1060921186.db2.gz KIVJVYJUWIHDFT-OFNKIYASSA-N 1 0 466.630 2.812 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286780141 1060922222 /nfs/dbraw/zinc/92/22/22/1060922222.db2.gz QAPGMSARCBSGMF-UHFFFAOYSA-N 1 0 482.629 2.965 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001286781992 1060927869 /nfs/dbraw/zinc/92/78/69/1060927869.db2.gz GXTCACKKHMBJMG-ICSRJNTNSA-N 1 0 486.686 2.981 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001286784460 1060938370 /nfs/dbraw/zinc/93/83/70/1060938370.db2.gz ICCFCBYFJCLHIO-UHFFFAOYSA-N 1 0 486.064 2.896 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001286810539 1061001320 /nfs/dbraw/zinc/00/13/20/1061001320.db2.gz SNOBWXQDNJXFPB-NJDAHSKKSA-N 1 0 490.649 2.708 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286814548 1061011174 /nfs/dbraw/zinc/01/11/74/1061011174.db2.gz BPEZMQSIJIRRAW-UHFFFAOYSA-N 1 0 483.642 2.903 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001286817298 1061030179 /nfs/dbraw/zinc/03/01/79/1061030179.db2.gz SPBREOVAHGXKFI-AZUAARDMSA-N 1 0 489.642 2.626 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001286883720 1061315110 /nfs/dbraw/zinc/31/51/10/1061315110.db2.gz OPRIRQVKMITCKT-UHFFFAOYSA-N 1 0 465.602 2.662 20 30 JFEDRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001286924581 1061531160 /nfs/dbraw/zinc/53/11/60/1061531160.db2.gz AUHBYWNEWXSYKC-QFIPXVFZSA-N 1 0 479.629 2.956 20 30 JFEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294217473 1061728701 /nfs/dbraw/zinc/72/87/01/1061728701.db2.gz IZTDUZBSLSYKBJ-HSZRJFAPSA-N 1 0 456.616 2.564 20 30 JFEDRO CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC001286960753 1061733403 /nfs/dbraw/zinc/73/34/03/1061733403.db2.gz IVHIXPMVUYXZKP-KDYSTLNUSA-N 1 0 496.656 2.920 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCSCC1 ZINC001286960863 1061733988 /nfs/dbraw/zinc/73/39/88/1061733988.db2.gz JPQHHBOWUSEDEX-AWEZNQCLSA-N 1 0 452.426 2.691 20 30 JFEDRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001294224175 1061734018 /nfs/dbraw/zinc/73/40/18/1061734018.db2.gz POYPXWXAZGYVDV-OAQYLSRUSA-N 1 0 452.607 2.845 20 30 JFEDRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001294226283 1061738817 /nfs/dbraw/zinc/73/88/17/1061738817.db2.gz RVOJWMBVYDMQMC-JOCHJYFZSA-N 1 0 499.685 2.500 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001286964886 1061739717 /nfs/dbraw/zinc/73/97/17/1061739717.db2.gz FIHSDTFFAAULNT-RBUKOAKNSA-N 1 0 472.663 2.956 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001286967731 1061742542 /nfs/dbraw/zinc/74/25/42/1061742542.db2.gz FZUHUDZYCRPAIQ-WSTZPKSXSA-N 1 0 458.632 2.905 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1nccs1 ZINC001286969186 1061745449 /nfs/dbraw/zinc/74/54/49/1061745449.db2.gz FEAGLUOYIMSCEJ-LJQANCHMSA-N 1 0 450.616 2.743 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286970148 1061746291 /nfs/dbraw/zinc/74/62/91/1061746291.db2.gz UUSYBKYNWRLSAF-FGZHOGPDSA-N 1 0 451.619 2.980 20 30 JFEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294460338 1062007421 /nfs/dbraw/zinc/00/74/21/1062007421.db2.gz CRZNAKZYVWLPOX-NRFANRHFSA-N 1 0 470.643 2.810 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294507848 1062045872 /nfs/dbraw/zinc/04/58/72/1062045872.db2.gz VQJMMSHBUQUKHB-SQJMNOBHSA-N 1 0 492.672 2.537 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294650294 1062195656 /nfs/dbraw/zinc/19/56/56/1062195656.db2.gz TUVSRYUUQTZJOB-CTNGQTDRSA-N 1 0 456.616 2.562 20 30 JFEDRO Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001290434999 1062201840 /nfs/dbraw/zinc/20/18/40/1062201840.db2.gz CZBROUYKBHNMPH-FQEVSTJZSA-N 1 0 455.563 2.634 20 30 JFEDRO CCC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001294659496 1062207918 /nfs/dbraw/zinc/20/79/18/1062207918.db2.gz WVKXTQNHVXEPDA-JOCHJYFZSA-N 1 0 470.643 2.810 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC001290576877 1062380690 /nfs/dbraw/zinc/38/06/90/1062380690.db2.gz KCLSDWVNSKDRRY-RTBURBONSA-N 1 0 497.692 2.704 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC001290578278 1062384713 /nfs/dbraw/zinc/38/47/13/1062384713.db2.gz XOFAFPDITJNSJS-LJQANCHMSA-N 1 0 453.639 2.906 20 30 JFEDRO CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001287129340 1062407901 /nfs/dbraw/zinc/40/79/01/1062407901.db2.gz NXKLFJSEUZVARV-JOCHJYFZSA-N 1 0 479.629 2.528 20 30 JFEDRO CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001287137041 1062474659 /nfs/dbraw/zinc/47/46/59/1062474659.db2.gz RELBEOKIYVSSFH-UHFFFAOYSA-N 1 0 492.672 2.584 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287158517 1062551575 /nfs/dbraw/zinc/55/15/75/1062551575.db2.gz SPEZEFJISMOZLI-HSZRJFAPSA-N 1 0 493.656 2.868 20 30 JFEDRO CCCNC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001294863046 1062570694 /nfs/dbraw/zinc/57/06/94/1062570694.db2.gz IMOMGEADUCATPJ-HHHXNRCGSA-N 1 0 492.672 2.689 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294928617 1062703752 /nfs/dbraw/zinc/70/37/52/1062703752.db2.gz MHMXJKFWCWIAQC-DEOSSOPVSA-N 1 0 454.575 2.549 20 30 JFEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001287321552 1062798496 /nfs/dbraw/zinc/79/84/96/1062798496.db2.gz JCOQPDKXEICQKC-ISKFKSNPSA-N 1 0 465.646 2.952 20 30 JFEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1)[NH+](C)C ZINC001287328297 1062802151 /nfs/dbraw/zinc/80/21/51/1062802151.db2.gz GBVQDAAFKGQGCD-JOCHJYFZSA-N 1 0 459.602 2.910 20 30 JFEDRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001287334175 1062811846 /nfs/dbraw/zinc/81/18/46/1062811846.db2.gz QIKKOVIZHXXQDT-QHCPKHFHSA-N 1 0 473.629 2.833 20 30 JFEDRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287411169 1062850244 /nfs/dbraw/zinc/85/02/44/1062850244.db2.gz NRKMXKSITPUNEO-FCQUAONHSA-N 1 0 457.623 2.560 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 ZINC001291013279 1062920220 /nfs/dbraw/zinc/92/02/20/1062920220.db2.gz LBBRNUAZLSXRHY-SFHLNBCPSA-N 1 0 462.664 2.678 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001291015669 1062926674 /nfs/dbraw/zinc/92/66/74/1062926674.db2.gz UVLJZPOTWGXPSC-FUPPJEDESA-N 1 0 452.603 2.996 20 30 JFEDRO N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)CC2)c(F)c1 ZINC001295148248 1062969363 /nfs/dbraw/zinc/96/93/63/1062969363.db2.gz YFHAOBWCDINGLW-VWNXMTODSA-N 1 0 450.558 2.913 20 30 JFEDRO C[C@@H]1CCC[C@@](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001291066235 1063012034 /nfs/dbraw/zinc/01/20/34/1063012034.db2.gz KYAZTRJZOXNONP-MEKIYTOJSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@@H]1CCC[C@@](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001291066236 1063012099 /nfs/dbraw/zinc/01/20/99/1063012099.db2.gz KYAZTRJZOXNONP-UTSGNWPNSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@@H]1CCC[C@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)([NH+](C)C)C1 ZINC001291067906 1063015389 /nfs/dbraw/zinc/01/53/89/1063015389.db2.gz HBZFKOCAHIAKII-CLOONOSVSA-N 1 0 465.602 2.518 20 30 JFEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 ZINC001291094980 1063053536 /nfs/dbraw/zinc/05/35/36/1063053536.db2.gz CKXAHPZKCJHJOL-IFMALSPDSA-N 1 0 499.685 2.847 20 30 JFEDRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001291099920 1063066843 /nfs/dbraw/zinc/06/68/43/1063066843.db2.gz PGMNOPPUHVQPSF-VQTJNVASSA-N 1 0 465.602 2.660 20 30 JFEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104921 1063085960 /nfs/dbraw/zinc/08/59/60/1063085960.db2.gz BURVAUZNZMLLHU-KNKQGSTJSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105712 1063088564 /nfs/dbraw/zinc/08/85/64/1063088564.db2.gz MROFZOGSALPOGX-DBXWQHBBSA-N 1 0 456.616 2.560 20 30 JFEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105714 1063088665 /nfs/dbraw/zinc/08/86/65/1063088665.db2.gz MROFZOGSALPOGX-LVCYWYKZSA-N 1 0 456.616 2.560 20 30 JFEDRO CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001295315436 1063189366 /nfs/dbraw/zinc/18/93/66/1063189366.db2.gz VTVAAYNCDKPMHK-QFIPXVFZSA-N 1 0 479.629 2.624 20 30 JFEDRO C[C@@H]1CCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001291138147 1063200283 /nfs/dbraw/zinc/20/02/83/1063200283.db2.gz DMOPTPAWWXDPNF-HXUWFJFHSA-N 1 0 479.629 2.908 20 30 JFEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C[C@H](C)O1 ZINC001291186982 1063293504 /nfs/dbraw/zinc/29/35/04/1063293504.db2.gz NGXJUAFOLMSSCE-IWQHBPENSA-N 1 0 452.603 2.912 20 30 JFEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C[C@H](C)O1 ZINC001291188867 1063306139 /nfs/dbraw/zinc/30/61/39/1063306139.db2.gz RUJMVNJRIDTQMG-UGTOYMOASA-N 1 0 482.629 2.824 20 30 JFEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C[C@H](C)O1 ZINC001291188983 1063306537 /nfs/dbraw/zinc/30/65/37/1063306537.db2.gz UDYLTBCTYGMLKW-ZVDOUQERSA-N 1 0 468.602 2.842 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295360770 1063322128 /nfs/dbraw/zinc/32/21/28/1063322128.db2.gz GTCRWGDDUMAKOU-QFBILLFUSA-N 1 0 489.466 2.953 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001295384548 1063359903 /nfs/dbraw/zinc/35/99/03/1063359903.db2.gz HUMOLNLKDHLASM-RBUKOAKNSA-N 1 0 453.591 2.516 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001295385125 1063360833 /nfs/dbraw/zinc/36/08/33/1063360833.db2.gz KDMHPILZKHETPE-LJQANCHMSA-N 1 0 453.591 2.518 20 30 JFEDRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccsc1 ZINC001295397250 1063383755 /nfs/dbraw/zinc/38/37/55/1063383755.db2.gz LQWGDNDNACQYGG-NRFANRHFSA-N 1 0 467.647 2.971 20 30 JFEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC[NH+](C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291218527 1063444407 /nfs/dbraw/zinc/44/44/07/1063444407.db2.gz VCDONWJPYDDUCS-WIYYLYMNSA-N 1 0 483.617 2.744 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001295464808 1063468518 /nfs/dbraw/zinc/46/85/18/1063468518.db2.gz LSFWJCXKYIWKCB-WJTDDFOZSA-N 1 0 493.612 2.791 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001295465696 1063470979 /nfs/dbraw/zinc/47/09/79/1063470979.db2.gz OKUATKIIMVYYKZ-OAQYLSRUSA-N 1 0 479.629 2.622 20 30 JFEDRO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001291225947 1063471784 /nfs/dbraw/zinc/47/17/84/1063471784.db2.gz ZMCHQGWTAAUUAG-QAPCUYQASA-N 1 0 452.481 2.551 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001295466269 1063471823 /nfs/dbraw/zinc/47/18/23/1063471823.db2.gz VLAGJIKCWFPDCY-UHFFFAOYSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001295474523 1063481197 /nfs/dbraw/zinc/48/11/97/1063481197.db2.gz BGKKJCDFJPRRHM-VWLOTQADSA-N 1 0 468.602 2.845 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)SC)CC1 ZINC001295481890 1063494730 /nfs/dbraw/zinc/49/47/30/1063494730.db2.gz BQQAUNUYIWAFCR-SFHVURJKSA-N 1 0 455.632 2.559 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)SC)CC1 ZINC001295481887 1063494936 /nfs/dbraw/zinc/49/49/36/1063494936.db2.gz BQQAUNUYIWAFCR-GOSISDBHSA-N 1 0 455.632 2.559 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CC1 ZINC001295482371 1063500365 /nfs/dbraw/zinc/50/03/65/1063500365.db2.gz LUHMESXMNLCAOX-HXUWFJFHSA-N 1 0 467.643 2.560 20 30 JFEDRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 ZINC001295494673 1063530478 /nfs/dbraw/zinc/53/04/78/1063530478.db2.gz RZWWCSJHHZOARU-GHTZIAJQSA-N 1 0 458.632 2.809 20 30 JFEDRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001295522131 1063559077 /nfs/dbraw/zinc/55/90/77/1063559077.db2.gz IQXMYEFMTWAHPD-UHFFFAOYSA-N 1 0 482.608 2.583 20 30 JFEDRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001295541220 1063576139 /nfs/dbraw/zinc/57/61/39/1063576139.db2.gz HKCTVNRAKVUFCU-HXUWFJFHSA-N 1 0 455.582 2.851 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001295553379 1063586360 /nfs/dbraw/zinc/58/63/60/1063586360.db2.gz DYRAQXCHSJNFFS-JOCHJYFZSA-N 1 0 492.672 2.682 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001295553474 1063586378 /nfs/dbraw/zinc/58/63/78/1063586378.db2.gz JDUJTNFBRIAFAM-LJQANCHMSA-N 1 0 475.601 2.672 20 30 JFEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001291279131 1063598429 /nfs/dbraw/zinc/59/84/29/1063598429.db2.gz IXTKJEFZQRKCCQ-APWZRJJASA-N 1 0 464.492 2.981 20 30 JFEDRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC001291288519 1063649565 /nfs/dbraw/zinc/64/95/65/1063649565.db2.gz UFJQKEZYYCXSFH-BGYRXZFFSA-N 1 0 465.602 2.521 20 30 JFEDRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)C ZINC001295820903 1063826528 /nfs/dbraw/zinc/82/65/28/1063826528.db2.gz JKSZBSLSXHKRHS-OAQYLSRUSA-N 1 0 453.591 2.596 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C ZINC001295833983 1063849417 /nfs/dbraw/zinc/84/94/17/1063849417.db2.gz LWWDMRQSCMXYMW-FQEVSTJZSA-N 1 0 484.612 2.924 20 30 JFEDRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291347605 1063850530 /nfs/dbraw/zinc/85/05/30/1063850530.db2.gz QEXTXJGFVRXTEM-FQEVSTJZSA-N 1 0 467.618 2.812 20 30 JFEDRO CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001291364248 1063882990 /nfs/dbraw/zinc/88/29/90/1063882990.db2.gz LWXDDRWHGDXPLN-WOVHNISZSA-N 1 0 465.646 2.973 20 30 JFEDRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001291388729 1063937810 /nfs/dbraw/zinc/93/78/10/1063937810.db2.gz BRRCOKAIMMYOKH-HWHXTQLESA-N 1 0 452.603 2.772 20 30 JFEDRO CC[C@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001291413786 1063989885 /nfs/dbraw/zinc/98/98/85/1063989885.db2.gz PQHOLKWFCUMFBC-NZQKXSOJSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001295983264 1064038944 /nfs/dbraw/zinc/03/89/44/1064038944.db2.gz HHYWXTUVAWWTIK-MSOLQXFVSA-N 1 0 456.616 2.560 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001295983266 1064038968 /nfs/dbraw/zinc/03/89/68/1064038968.db2.gz HHYWXTUVAWWTIK-ROUUACIJSA-N 1 0 456.616 2.560 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC1CC[NH+](CC)CC1 ZINC001296022860 1064083563 /nfs/dbraw/zinc/08/35/63/1064083563.db2.gz DQMADHHKPPURCD-UHFFFAOYSA-N 1 0 458.632 2.810 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)C1 ZINC001296032666 1064090199 /nfs/dbraw/zinc/09/01/99/1064090199.db2.gz BLJBYHIGPUANFY-LJQANCHMSA-N 1 0 455.994 2.943 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001296035147 1064093821 /nfs/dbraw/zinc/09/38/21/1064093821.db2.gz APLVCQSOTYTPLK-KUHUBIRLSA-N 1 0 450.360 2.830 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)C1 ZINC001296052225 1064113425 /nfs/dbraw/zinc/11/34/25/1064113425.db2.gz PCPVRRYWZUKGQX-JOCHJYFZSA-N 1 0 479.629 2.765 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001296059621 1064122535 /nfs/dbraw/zinc/12/25/35/1064122535.db2.gz HJDOZMQPJFYBGR-AJSBUHFISA-N 1 0 479.629 2.669 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001296059622 1064122566 /nfs/dbraw/zinc/12/25/66/1064122566.db2.gz HJDOZMQPJFYBGR-UEVCKROQSA-N 1 0 479.629 2.669 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291605277 1064140619 /nfs/dbraw/zinc/14/06/19/1064140619.db2.gz ICOOBWHLUAMGKT-YADHBBJMSA-N 1 0 479.677 2.658 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296087954 1064157261 /nfs/dbraw/zinc/15/72/61/1064157261.db2.gz PIQBDKQVOHLOAG-FGZHOGPDSA-N 1 0 465.602 2.628 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001296089228 1064160080 /nfs/dbraw/zinc/16/00/80/1064160080.db2.gz YZCSDZBFAPWHIA-NHCUHLMSSA-N 1 0 456.616 2.563 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291622045 1064162385 /nfs/dbraw/zinc/16/23/85/1064162385.db2.gz XONRPGFRKYAZFF-FDDCHVKYSA-N 1 0 454.648 2.822 20 30 JFEDRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)[NH+](C)C)CC2)CC1 ZINC001296118970 1064203038 /nfs/dbraw/zinc/20/30/38/1064203038.db2.gz MLQZHHRAWZZJCC-OAQYLSRUSA-N 1 0 492.672 2.537 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001296127149 1064221298 /nfs/dbraw/zinc/22/12/98/1064221298.db2.gz UBBKOQIAUDBDRJ-IRLDBZIGSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001296134914 1064237547 /nfs/dbraw/zinc/23/75/47/1064237547.db2.gz SFSBOTZQTOLTGV-JSRJAPPDSA-N 1 0 469.609 2.939 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001291759922 1064240950 /nfs/dbraw/zinc/24/09/50/1064240950.db2.gz IOGQLUMXXIEEPN-CZSZKKDXSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001291768799 1064251512 /nfs/dbraw/zinc/25/15/12/1064251512.db2.gz ZWZHOEVTNNFROH-OXQOHEQNSA-N 1 0 450.547 2.816 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001291772324 1064255487 /nfs/dbraw/zinc/25/54/87/1064255487.db2.gz OEAXTCHKEKELPM-UXHICEINSA-N 1 0 474.617 2.756 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001291782366 1064271277 /nfs/dbraw/zinc/27/12/77/1064271277.db2.gz NTKSPFFIEQEXMU-FQEVSTJZSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001291783659 1064277798 /nfs/dbraw/zinc/27/77/98/1064277798.db2.gz ORHLFNLVJHXOSM-NQIIRXRSSA-N 1 0 453.591 2.564 20 30 JFEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)C[C@H]1C ZINC001296164838 1064282889 /nfs/dbraw/zinc/28/28/89/1064282889.db2.gz DUZLNELEPDDCNL-LJQANCHMSA-N 1 0 460.586 2.768 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191135 1064341083 /nfs/dbraw/zinc/34/10/83/1064341083.db2.gz HFBPWHYSNSMEBH-OFNKIYASSA-N 1 0 451.619 2.564 20 30 JFEDRO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291828046 1064379219 /nfs/dbraw/zinc/37/92/19/1064379219.db2.gz OOYNDLFYLCVJJX-IBGZPJMESA-N 1 0 467.618 2.954 20 30 JFEDRO CC[C@@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291828048 1064379282 /nfs/dbraw/zinc/37/92/82/1064379282.db2.gz OOYNDLFYLCVJJX-LJQANCHMSA-N 1 0 467.618 2.954 20 30 JFEDRO CCN1CC[NH+](CCCCn2c([C@H]3COc4ccccc4O3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001296203014 1064380612 /nfs/dbraw/zinc/38/06/12/1064380612.db2.gz KIEOZQZFZGZSLM-NFBKMPQASA-N 1 0 467.618 2.804 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296206302 1064394812 /nfs/dbraw/zinc/39/48/12/1064394812.db2.gz MSIWIXOREAGXBH-UHFFFAOYSA-N 1 0 475.645 2.831 20 30 JFEDRO CC[C@@H](c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291898870 1064529834 /nfs/dbraw/zinc/52/98/34/1064529834.db2.gz IJRCLVTTWNBWLU-RJGXRXQPSA-N 1 0 452.603 2.786 20 30 JFEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001291961377 1064573789 /nfs/dbraw/zinc/57/37/89/1064573789.db2.gz HYOCXAOVRNCVCU-XZOQPEGZSA-N 1 0 463.586 2.683 20 30 JFEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001291961375 1064573852 /nfs/dbraw/zinc/57/38/52/1064573852.db2.gz HYOCXAOVRNCVCU-GOTSBHOMSA-N 1 0 463.586 2.683 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296307170 1064587525 /nfs/dbraw/zinc/58/75/25/1064587525.db2.gz CGKLJAGIWCVXEK-UXHICEINSA-N 1 0 464.618 2.789 20 30 JFEDRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001291973042 1064587956 /nfs/dbraw/zinc/58/79/56/1064587956.db2.gz DYEZVNIANJMPNF-XUZZJYLKSA-N 1 0 472.613 2.719 20 30 JFEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)[NH+](C)C ZINC001291975235 1064589778 /nfs/dbraw/zinc/58/97/78/1064589778.db2.gz QVEVCVYIGDZBEP-QHCPKHFHSA-N 1 0 467.618 2.764 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)[NH+](C)C ZINC001292139258 1064907515 /nfs/dbraw/zinc/90/75/15/1064907515.db2.gz UZGCDDYDNIWUEM-UTKZUKDTSA-N 1 0 453.591 2.596 20 30 JFEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001292185581 1064977061 /nfs/dbraw/zinc/97/70/61/1064977061.db2.gz QWRKSAPRJWKUDW-XZOQPEGZSA-N 1 0 451.619 2.846 20 30 JFEDRO CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292195349 1064987420 /nfs/dbraw/zinc/98/74/20/1064987420.db2.gz HLZDIQJKVROYFC-JTHBVZDNSA-N 1 0 499.685 2.799 20 30 JFEDRO CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292276786 1065053238 /nfs/dbraw/zinc/05/32/38/1065053238.db2.gz UPEOMFASFWMBQB-GBXCKJPGSA-N 1 0 493.656 2.747 20 30 JFEDRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCNC(=O)C2N=CC=CC2=O)cc1 ZINC001292483195 1065204656 /nfs/dbraw/zinc/20/46/56/1065204656.db2.gz BYBJKJUGUJZZEW-BCYGCCDBSA-N 1 0 477.613 2.953 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292614159 1065342021 /nfs/dbraw/zinc/34/20/21/1065342021.db2.gz CTAYFOQZMZUQJP-KCZVDYSFSA-N 1 0 468.602 2.648 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292616908 1065352644 /nfs/dbraw/zinc/35/26/44/1065352644.db2.gz ZXIGVYXPWCCBQQ-HXUWFJFHSA-N 1 0 474.613 2.963 20 30 JFEDRO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1C ZINC001293014407 1065693166 /nfs/dbraw/zinc/69/31/66/1065693166.db2.gz VHPYBQYHGFICCF-OAQYLSRUSA-N 1 0 456.597 2.760 20 30 JFEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001293068389 1065720589 /nfs/dbraw/zinc/72/05/89/1065720589.db2.gz FZQXNHHALOSXEU-DEOSSOPVSA-N 1 0 465.646 2.781 20 30 JFEDRO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293097568 1065748365 /nfs/dbraw/zinc/74/83/65/1065748365.db2.gz OOTMSIABZXVXKZ-IBGZPJMESA-N 1 0 455.582 2.679 20 30 JFEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001293366247 1065971674 /nfs/dbraw/zinc/97/16/74/1065971674.db2.gz SFFDXBSVRVHCJA-QHCPKHFHSA-N 1 0 499.685 2.989 20 30 JFEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001293376361 1065981591 /nfs/dbraw/zinc/98/15/91/1065981591.db2.gz BSPHRDWJDGTIRS-YADHBBJMSA-N 1 0 479.629 2.956 20 30 JFEDRO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CC[NH+](CC)CC2)C[C@H](C)O1 ZINC001293640917 1066157579 /nfs/dbraw/zinc/15/75/79/1066157579.db2.gz WHLOOKJEUADDRQ-JTHBVZDNSA-N 1 0 481.645 2.760 20 30 JFEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001293758645 1066240741 /nfs/dbraw/zinc/24/07/41/1066240741.db2.gz ANMAODPPTWKHBC-FCHUYYIVSA-N 1 0 479.629 2.956 20 30 JFEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001293758648 1066240780 /nfs/dbraw/zinc/24/07/80/1066240780.db2.gz ANMAODPPTWKHBC-FGZHOGPDSA-N 1 0 479.629 2.956 20 30 JFEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC[N@@H+]1CCOC ZINC001294066989 1066537275 /nfs/dbraw/zinc/53/72/75/1066537275.db2.gz LMCYITHXFIWEQB-DEOSSOPVSA-N 1 0 489.624 2.809 20 30 JFEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4c(C#N)c[nH]c4n3)CC2)c2ccccc21 ZINC001164686980 719675213 /nfs/dbraw/zinc/67/52/13/719675213.db2.gz ZHXAOPJHHZOFFQ-GOSISDBHSA-N 1 0 457.582 2.923 20 30 JFEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164714442 720169682 /nfs/dbraw/zinc/16/96/82/720169682.db2.gz PFTZQHDASYLOHU-QPPBQGQZSA-N 1 0 472.597 2.785 20 30 JFEDRO COc1cc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(C#N)c(Cl)n1 ZINC001164814622 720229732 /nfs/dbraw/zinc/22/97/32/720229732.db2.gz ZLVIGBNPCLQLOJ-UHFFFAOYSA-N 1 0 466.920 2.967 20 30 JFEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CCC2 ZINC001164812584 720230908 /nfs/dbraw/zinc/23/09/08/720230908.db2.gz HAAOENZIUJGGLF-UHFFFAOYSA-N 1 0 451.575 2.745 20 30 JFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828315 720306107 /nfs/dbraw/zinc/30/61/07/720306107.db2.gz ZXVMYFDGALKQTG-CVEARBPZSA-N 1 0 453.012 2.572 20 30 JFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828320 720306159 /nfs/dbraw/zinc/30/61/59/720306159.db2.gz ZXVMYFDGALKQTG-JKSUJKDBSA-N 1 0 453.012 2.572 20 30 JFEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1F ZINC001164738961 720706139 /nfs/dbraw/zinc/70/61/39/720706139.db2.gz LPXUJVUPUYLEKX-HZPDHXFCSA-N 1 0 451.893 2.940 20 30 JFEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1F ZINC001164738962 720706625 /nfs/dbraw/zinc/70/66/25/720706625.db2.gz LPXUJVUPUYLEKX-JKSUJKDBSA-N 1 0 451.893 2.940 20 30 JFEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164896583 721426307 /nfs/dbraw/zinc/42/63/07/721426307.db2.gz ROWMQGUQNKXPCU-CJFMBICVSA-N 1 0 454.619 2.703 20 30 JFEDRO C[NH+](C)CCn1c2cc(NC(=O)COc3ccc(C#N)c(Br)c3)ccc2oc1=O ZINC001264843047 1059702427 /nfs/dbraw/zinc/70/24/27/1059702427.db2.gz CSRBFXANZAVDMT-UHFFFAOYSA-N 1 0 459.300 2.808 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286276923 1060034570 /nfs/dbraw/zinc/03/45/70/1060034570.db2.gz UXSDFAMQTYUARS-QRVBRYPASA-N 1 0 487.674 2.504 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286294830 1060048930 /nfs/dbraw/zinc/04/89/30/1060048930.db2.gz FRDYJIWGADUGMZ-UFYCRDLUSA-N 1 0 460.623 2.919 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001286308141 1060060695 /nfs/dbraw/zinc/06/06/95/1060060695.db2.gz FXAVXTUKICBDOZ-OAQYLSRUSA-N 1 0 479.629 2.593 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001286309549 1060063971 /nfs/dbraw/zinc/06/39/71/1060063971.db2.gz MRZASVSXODSRGJ-SFTDATJTSA-N 1 0 491.621 2.650 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001286310837 1060068437 /nfs/dbraw/zinc/06/84/37/1060068437.db2.gz GPTJHGKMFIDMMC-TZIWHRDSSA-N 1 0 450.587 2.570 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001286310834 1060068456 /nfs/dbraw/zinc/06/84/56/1060068456.db2.gz GPTJHGKMFIDMMC-PZJWPPBQSA-N 1 0 450.587 2.570 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001286312744 1060074176 /nfs/dbraw/zinc/07/41/76/1060074176.db2.gz ZPAVWRPEYMRUMA-HXUWFJFHSA-N 1 0 488.640 2.928 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001286312677 1060074210 /nfs/dbraw/zinc/07/42/10/1060074210.db2.gz ZLNOSWIICUUTAV-MRXNPFEDSA-N 1 0 451.600 2.640 20 30 JFEDRO C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286316674 1060077868 /nfs/dbraw/zinc/07/78/68/1060077868.db2.gz FDBBKMPZYVPZSL-QFIPXVFZSA-N 1 0 466.630 2.982 20 30 JFEDRO C#CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001286323138 1060082355 /nfs/dbraw/zinc/08/23/55/1060082355.db2.gz ISPUYFNFOMVCBW-WOJBJXKFSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001286333359 1060086641 /nfs/dbraw/zinc/08/66/41/1060086641.db2.gz FFGJQGJHJRMRLO-QHCPKHFHSA-N 1 0 478.641 2.836 20 30 JFEDRO C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286343679 1060098937 /nfs/dbraw/zinc/09/89/37/1060098937.db2.gz BKNOPDHBXGOKFW-NRFANRHFSA-N 1 0 480.613 2.509 20 30 JFEDRO C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001286379328 1060143324 /nfs/dbraw/zinc/14/33/24/1060143324.db2.gz NTMOQRSJUIBILL-PKTZIBPZSA-N 1 0 450.631 2.917 20 30 JFEDRO C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286380399 1060148335 /nfs/dbraw/zinc/14/83/35/1060148335.db2.gz BZUMDJYRPZZVEC-NRFANRHFSA-N 1 0 488.614 2.599 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C(C)C)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286380745 1060149255 /nfs/dbraw/zinc/14/92/55/1060149255.db2.gz DCIXGFUVVVIIEP-FYYLOGMGSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccn2C)n1Cc1ccccc1C[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387066 1060194976 /nfs/dbraw/zinc/19/49/76/1060194976.db2.gz NNBFZICXFIFHKL-HSZRJFAPSA-N 1 0 494.665 2.800 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387972 1060205736 /nfs/dbraw/zinc/20/57/36/1060205736.db2.gz JHQWJGGQWRGHST-IFMALSPDSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC[N@@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286388215 1060208522 /nfs/dbraw/zinc/20/85/22/1060208522.db2.gz MEKKEDHDXUSDAA-GGAORHGYSA-N 1 0 469.655 2.866 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388427 1060211260 /nfs/dbraw/zinc/21/12/60/1060211260.db2.gz OVIYLIDQCPZPSJ-HXUWFJFHSA-N 1 0 459.616 2.739 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286388426 1060211374 /nfs/dbraw/zinc/21/13/74/1060211374.db2.gz OVIYLIDQCPZPSJ-FQEVSTJZSA-N 1 0 459.616 2.739 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388560 1060212456 /nfs/dbraw/zinc/21/24/56/1060212456.db2.gz RIOYBNKETRVRID-SVFBPWRDSA-N 1 0 473.643 2.841 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388602 1060213006 /nfs/dbraw/zinc/21/30/06/1060213006.db2.gz SGXJOAXLVBSZCX-RBUKOAKNSA-N 1 0 479.050 2.597 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(CC)CC)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388725 1060214042 /nfs/dbraw/zinc/21/40/42/1060214042.db2.gz BBQDPFZKXXULGQ-RBBKRZOGSA-N 1 0 472.659 2.642 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286389255 1060219961 /nfs/dbraw/zinc/21/99/61/1060219961.db2.gz ZXZCLDYQZHRONE-URVUXULASA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389252 1060220084 /nfs/dbraw/zinc/22/00/84/1060220084.db2.gz ZXZCLDYQZHRONE-JAXLGGSGSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286389253 1060220195 /nfs/dbraw/zinc/22/01/95/1060220195.db2.gz ZXZCLDYQZHRONE-ONTIZHBOSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286389658 1060221762 /nfs/dbraw/zinc/22/17/62/1060221762.db2.gz OFASXRCEJPZCCU-VXKWHMMOSA-N 1 0 484.670 2.930 20 30 JFEDRO C#CCN(c1nnc(CCCc2ccccc2)n1CC1([NH+](C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286391454 1060232339 /nfs/dbraw/zinc/23/23/39/1060232339.db2.gz IQURITZIPNDCNJ-JOCHJYFZSA-N 1 0 469.655 2.564 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286394257 1060249702 /nfs/dbraw/zinc/24/97/02/1060249702.db2.gz HYCULINDOBEWTG-XZOQPEGZSA-N 1 0 499.681 2.913 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[N@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001286394376 1060250288 /nfs/dbraw/zinc/25/02/88/1060250288.db2.gz IXEGQTWVDWHCEC-VXKWHMMOSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H]1CCC[N@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286395763 1060258360 /nfs/dbraw/zinc/25/83/60/1060258360.db2.gz UQBYZIRCNIBBPP-LEWJYISDSA-N 1 0 473.618 2.509 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286398748 1060276645 /nfs/dbraw/zinc/27/66/45/1060276645.db2.gz OIMMUKNOJBSNSG-PLACYPQZSA-N 1 0 479.691 2.554 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001286400435 1060281247 /nfs/dbraw/zinc/28/12/47/1060281247.db2.gz GAQMPRFNDGKEFW-JOCHJYFZSA-N 1 0 495.697 2.987 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC[NH+]1CCN(CC)CC1 ZINC001286403421 1060285943 /nfs/dbraw/zinc/28/59/43/1060285943.db2.gz JWWYGPLPUIKZJC-UHFFFAOYSA-N 1 0 455.006 2.708 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286404986 1060287697 /nfs/dbraw/zinc/28/76/97/1060287697.db2.gz WXFLITFDCAOZDJ-IBGZPJMESA-N 1 0 456.541 2.645 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286404987 1060287769 /nfs/dbraw/zinc/28/77/69/1060287769.db2.gz WXFLITFDCAOZDJ-LJQANCHMSA-N 1 0 456.541 2.645 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286409162 1060294510 /nfs/dbraw/zinc/29/45/10/1060294510.db2.gz INTPYFXZKUMGIA-VQTJNVASSA-N 1 0 482.585 2.555 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+](CC)C1CC1 ZINC001286413844 1060299525 /nfs/dbraw/zinc/29/95/25/1060299525.db2.gz OGGDHTVTJZRPNK-HXUWFJFHSA-N 1 0 454.619 2.950 20 30 JFEDRO C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001286415505 1060302542 /nfs/dbraw/zinc/30/25/42/1060302542.db2.gz KXKZUXVVIFZFEO-RPWUZVMVSA-N 1 0 460.626 2.531 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1CC[NH+](CC)CC1 ZINC001286421482 1060309133 /nfs/dbraw/zinc/30/91/33/1060309133.db2.gz PLUGDJSAZDWZBK-UHFFFAOYSA-N 1 0 467.639 2.934 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc3cccnc32)n1CCC[NH+]1CCN(CC)CC1 ZINC001286423698 1060311725 /nfs/dbraw/zinc/31/17/25/1060311725.db2.gz MTAHPJSHVUVDMA-UHFFFAOYSA-N 1 0 455.610 2.984 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001286425945 1060314898 /nfs/dbraw/zinc/31/48/98/1060314898.db2.gz DKNNRKDQUBASSV-PKTZIBPZSA-N 1 0 460.582 2.538 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CC[N@H+]1CC=CCC1 ZINC001286425954 1060315076 /nfs/dbraw/zinc/31/50/76/1060315076.db2.gz DTIAMNFRIWCNAL-UHFFFAOYSA-N 1 0 469.593 2.790 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001286430656 1060320896 /nfs/dbraw/zinc/32/08/96/1060320896.db2.gz IPSYZMVPCISGIJ-DHIUTWEWSA-N 1 0 467.639 2.726 20 30 JFEDRO C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001286437172 1060328320 /nfs/dbraw/zinc/32/83/20/1060328320.db2.gz BICWAFAIQCBBJQ-FQEVSTJZSA-N 1 0 472.659 2.919 20 30 JFEDRO C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286450032 1060335356 /nfs/dbraw/zinc/33/53/56/1060335356.db2.gz LWRDIXYFDOTHDN-HSZRJFAPSA-N 1 0 461.614 2.683 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286456371 1060338223 /nfs/dbraw/zinc/33/82/23/1060338223.db2.gz PXOBZJZWIMBMIV-HSZRJFAPSA-N 1 0 451.575 2.951 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286457699 1060339097 /nfs/dbraw/zinc/33/90/97/1060339097.db2.gz CMOWHJSOMVOILC-GMAHTHKFSA-N 1 0 482.604 2.504 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2cc(OC)ccc2Br)n1CC[NH+]1CCCC1 ZINC001286459746 1060343219 /nfs/dbraw/zinc/34/32/19/1060343219.db2.gz HGJOHQSDSOZUOK-UHFFFAOYSA-N 1 0 462.392 2.898 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001286460755 1060346088 /nfs/dbraw/zinc/34/60/88/1060346088.db2.gz JDVJQODQJOMEGW-HXUWFJFHSA-N 1 0 452.578 2.911 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@H](C)[NH+](C)C ZINC001286463554 1060351288 /nfs/dbraw/zinc/35/12/88/1060351288.db2.gz QNEVZEOIHWRHMS-HNNXBMFYSA-N 1 0 450.381 2.752 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001286464459 1060352382 /nfs/dbraw/zinc/35/23/82/1060352382.db2.gz BBZMYSCDAIVHAM-FQEVSTJZSA-N 1 0 460.623 2.574 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286465230 1060352790 /nfs/dbraw/zinc/35/27/90/1060352790.db2.gz KGKUAMXZANWCMJ-LEWJYISDSA-N 1 0 486.661 2.963 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286472383 1060368617 /nfs/dbraw/zinc/36/86/17/1060368617.db2.gz HHIQDAJOQZATBW-LJQANCHMSA-N 1 0 488.478 2.922 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC001286472955 1060371698 /nfs/dbraw/zinc/37/16/98/1060371698.db2.gz XTAGNRKXMVTFMS-JTHBVZDNSA-N 1 0 458.651 2.554 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[NH+]2CCCCC2)CC1 ZINC001286473020 1060372281 /nfs/dbraw/zinc/37/22/81/1060372281.db2.gz GULZXITXCIHTIZ-UHFFFAOYSA-N 1 0 487.446 2.957 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001286473494 1060375428 /nfs/dbraw/zinc/37/54/28/1060375428.db2.gz NIAKGQBPGNOVQJ-DEOSSOPVSA-N 1 0 495.628 2.746 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286473506 1060375785 /nfs/dbraw/zinc/37/57/85/1060375785.db2.gz NWTMUMXNAWLSHQ-NRFANRHFSA-N 1 0 454.619 2.694 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286473672 1060376612 /nfs/dbraw/zinc/37/66/12/1060376612.db2.gz QKNLFRDJZVGJLI-BGYRXZFFSA-N 1 0 488.583 2.801 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286474556 1060384602 /nfs/dbraw/zinc/38/46/02/1060384602.db2.gz MLTTWBWFZOSHPM-QGZVFWFLSA-N 1 0 475.410 2.944 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286482095 1060405816 /nfs/dbraw/zinc/40/58/16/1060405816.db2.gz ZVRJACDJZIDZOU-NRFANRHFSA-N 1 0 485.677 2.632 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286482098 1060405845 /nfs/dbraw/zinc/40/58/45/1060405845.db2.gz ZVRJACDJZIDZOU-OAQYLSRUSA-N 1 0 485.677 2.632 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001286484875 1060420702 /nfs/dbraw/zinc/42/07/02/1060420702.db2.gz ZERCLIHSKDVWLP-UHFFFAOYSA-N 1 0 472.634 2.579 20 30 JFEDRO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286485142 1060423247 /nfs/dbraw/zinc/42/32/47/1060423247.db2.gz WBORMBIWWXFPPH-QFIPXVFZSA-N 1 0 452.651 2.550 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001286485208 1060424291 /nfs/dbraw/zinc/42/42/91/1060424291.db2.gz XLDKEODOSYDLCG-UHFFFAOYSA-N 1 0 461.614 2.606 20 30 JFEDRO C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001286485726 1060429256 /nfs/dbraw/zinc/42/92/56/1060429256.db2.gz VVVCFVHEPIQLCK-XMMPIXPASA-N 1 0 486.711 2.772 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC001286490006 1060471307 /nfs/dbraw/zinc/47/13/07/1060471307.db2.gz FSFBSOGLDCURNU-QHCPKHFHSA-N 1 0 465.646 2.981 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC001286491543 1060486556 /nfs/dbraw/zinc/48/65/56/1060486556.db2.gz WTTIRJCCHZPROI-UHFFFAOYSA-N 1 0 485.636 2.730 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001286491551 1060487450 /nfs/dbraw/zinc/48/74/50/1060487450.db2.gz XBYLWUBBUUVYBK-VWLOTQADSA-N 1 0 485.636 2.841 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286491962 1060491731 /nfs/dbraw/zinc/49/17/31/1060491731.db2.gz BVAILHJEMLPEDJ-GOTSBHOMSA-N 1 0 470.662 2.648 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286493603 1060503127 /nfs/dbraw/zinc/50/31/27/1060503127.db2.gz OCMJMQGLIGKMAF-ZEQRLZLVSA-N 1 0 478.641 2.613 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001286493708 1060503701 /nfs/dbraw/zinc/50/37/01/1060503701.db2.gz PGASRDOGQKSIOH-HSZRJFAPSA-N 1 0 464.614 2.618 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286493842 1060504107 /nfs/dbraw/zinc/50/41/07/1060504107.db2.gz QIDUNGOSFQTQJM-UNMCSNQZSA-N 1 0 470.662 2.648 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286493920 1060504777 /nfs/dbraw/zinc/50/47/77/1060504777.db2.gz JBSQKGIBNPAXPQ-SFTDATJTSA-N 1 0 454.663 2.955 20 30 JFEDRO C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001286498632 1060518772 /nfs/dbraw/zinc/51/87/72/1060518772.db2.gz CAKQHEPOGRZUFY-IBGZPJMESA-N 1 0 457.600 2.587 20 30 JFEDRO C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286498789 1060519711 /nfs/dbraw/zinc/51/97/11/1060519711.db2.gz ANNHYLWXVVESGD-RDPSFJRHSA-N 1 0 496.681 2.699 20 30 JFEDRO C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001286499162 1060521076 /nfs/dbraw/zinc/52/10/76/1060521076.db2.gz FGTLGEKZVLRJSH-LJQANCHMSA-N 1 0 465.627 2.859 20 30 JFEDRO C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286504616 1060530388 /nfs/dbraw/zinc/53/03/88/1060530388.db2.gz OOCIVPKTQWHJEZ-RBUKOAKNSA-N 1 0 479.654 2.960 20 30 JFEDRO C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286506130 1060534224 /nfs/dbraw/zinc/53/42/24/1060534224.db2.gz QIWSQGCBMVZEKR-GBXCKJPGSA-N 1 0 498.672 2.753 20 30 JFEDRO C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286507664 1060536515 /nfs/dbraw/zinc/53/65/15/1060536515.db2.gz CLHSCXNFORVETN-NFBKMPQASA-N 1 0 472.703 2.756 20 30 JFEDRO C#CCSCCn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001286512979 1060547999 /nfs/dbraw/zinc/54/79/99/1060547999.db2.gz PFZZKNTXEQIRAY-SANMLTNESA-N 1 0 494.665 2.881 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001286518102 1060553854 /nfs/dbraw/zinc/55/38/54/1060553854.db2.gz YYMKYLLTXMKTMP-DENIHFKCSA-N 1 0 494.731 2.632 20 30 JFEDRO C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286529951 1060560968 /nfs/dbraw/zinc/56/09/68/1060560968.db2.gz BCTOOAXMTMYWEJ-QAPCUYQASA-N 1 0 453.429 2.689 20 30 JFEDRO C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286529949 1060561045 /nfs/dbraw/zinc/56/10/45/1060561045.db2.gz BCTOOAXMTMYWEJ-CRAIPNDOSA-N 1 0 453.429 2.689 20 30 JFEDRO C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001286531071 1060565414 /nfs/dbraw/zinc/56/54/14/1060565414.db2.gz UXWSUABSCXZEHX-KRWDZBQOSA-N 1 0 492.422 2.771 20 30 JFEDRO C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001286532429 1060568470 /nfs/dbraw/zinc/56/84/70/1060568470.db2.gz DTFLHEKCEBENBW-SFHVURJKSA-N 1 0 457.376 2.884 20 30 JFEDRO C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286533592 1060570371 /nfs/dbraw/zinc/57/03/71/1060570371.db2.gz YFBWQOIRJUOQLZ-SFHVURJKSA-N 1 0 477.382 2.736 20 30 JFEDRO C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286539273 1060582725 /nfs/dbraw/zinc/58/27/25/1060582725.db2.gz XXFPCUQOLMHZQE-LJQANCHMSA-N 1 0 467.456 2.685 20 30 JFEDRO C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001286541953 1060586211 /nfs/dbraw/zinc/58/62/11/1060586211.db2.gz GNMPCLZEBPXMCO-GOSISDBHSA-N 1 0 466.428 2.595 20 30 JFEDRO C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286542628 1060588110 /nfs/dbraw/zinc/58/81/10/1060588110.db2.gz CUHKTIVEHGACBA-HNAYVOBHSA-N 1 0 465.440 2.518 20 30 JFEDRO C=C(Br)Cn1c(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001286548245 1060600768 /nfs/dbraw/zinc/60/07/68/1060600768.db2.gz VEXUVVYEQILKJP-MAUKXSAKSA-N 1 0 467.456 2.863 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286555751 1060623690 /nfs/dbraw/zinc/62/36/90/1060623690.db2.gz YTOIUPIFLHMWRI-SRUXOGRHSA-N 1 0 477.650 2.673 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001286566427 1060654896 /nfs/dbraw/zinc/65/48/96/1060654896.db2.gz MTFPPKJMZFOIMT-LFAGZIFBSA-N 1 0 480.613 2.867 20 30 JFEDRO C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001286566845 1060655644 /nfs/dbraw/zinc/65/56/44/1060655644.db2.gz JTQNETHHYKZDFT-OALUTQOASA-N 1 0 460.648 2.738 20 30 JFEDRO C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001286566849 1060655696 /nfs/dbraw/zinc/65/56/96/1060655696.db2.gz JTQNETHHYKZDFT-RTBURBONSA-N 1 0 460.648 2.738 20 30 JFEDRO C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001286578751 1060665352 /nfs/dbraw/zinc/66/53/52/1060665352.db2.gz JJBVFYCPLRBQIG-FGZHOGPDSA-N 1 0 452.603 2.637 20 30 JFEDRO C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001286581491 1060668487 /nfs/dbraw/zinc/66/84/87/1060668487.db2.gz JRWLICFWUFDPCL-DEOSSOPVSA-N 1 0 462.639 2.862 20 30 JFEDRO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286601667 1060703482 /nfs/dbraw/zinc/70/34/82/1060703482.db2.gz SBRNSBKKFFXDJS-YKSBVNFPSA-N 1 0 477.613 2.684 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286605535 1060712682 /nfs/dbraw/zinc/71/26/82/1060712682.db2.gz ZPRRXKRXBULWGG-QUCCMNQESA-N 1 0 459.616 2.614 20 30 JFEDRO C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001286607009 1060716128 /nfs/dbraw/zinc/71/61/28/1060716128.db2.gz ALXIFWRERLUWEY-RTWAWAEBSA-N 1 0 490.649 2.854 20 30 JFEDRO C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001286607007 1060716238 /nfs/dbraw/zinc/71/62/38/1060716238.db2.gz ALXIFWRERLUWEY-NHCUHLMSSA-N 1 0 490.649 2.854 20 30 JFEDRO C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286612589 1060724050 /nfs/dbraw/zinc/72/40/50/1060724050.db2.gz HBIPBNKKTJKZNV-IBGZPJMESA-N 1 0 458.632 2.927 20 30 JFEDRO C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1)c1ccccc1 ZINC001286617827 1060733238 /nfs/dbraw/zinc/73/32/38/1060733238.db2.gz UBRRSMHHZJBCFN-VXKWHMMOSA-N 1 0 452.603 2.880 20 30 JFEDRO C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286627380 1060746985 /nfs/dbraw/zinc/74/69/85/1060746985.db2.gz ZYADXQLWHUYEQO-HRAATJIYSA-N 1 0 458.010 2.780 20 30 JFEDRO C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001286632020 1060752761 /nfs/dbraw/zinc/75/27/61/1060752761.db2.gz CJJIRBVTJVYPST-UHFFFAOYSA-N 1 0 489.049 2.819 20 30 JFEDRO C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001286634176 1060754716 /nfs/dbraw/zinc/75/47/16/1060754716.db2.gz RZTIWPQEEWYQER-UHFFFAOYSA-N 1 0 452.603 2.578 20 30 JFEDRO C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001286650126 1060765658 /nfs/dbraw/zinc/76/56/58/1060765658.db2.gz XSUGUHFJUJLWAK-HSZRJFAPSA-N 1 0 477.613 2.828 20 30 JFEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001286651350 1060766779 /nfs/dbraw/zinc/76/67/79/1060766779.db2.gz BFPYRIMKRBFZCU-KGVIQGDOSA-N 1 0 452.669 2.801 20 30 JFEDRO C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286670323 1060782143 /nfs/dbraw/zinc/78/21/43/1060782143.db2.gz GPDZSNQZDMEFSS-DENIHFKCSA-N 1 0 468.650 2.660 20 30 JFEDRO C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286702422 1060815026 /nfs/dbraw/zinc/81/50/26/1060815026.db2.gz MQGHVHMRVXVTJG-UHFFFAOYSA-N 1 0 452.603 2.588 20 30 JFEDRO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286711720 1060832741 /nfs/dbraw/zinc/83/27/41/1060832741.db2.gz RWBTVEFAQHRHON-JOCHJYFZSA-N 1 0 453.635 2.846 20 30 JFEDRO C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001286722056 1060844958 /nfs/dbraw/zinc/84/49/58/1060844958.db2.gz BFAXWGKPZDVGMF-QFIPXVFZSA-N 1 0 479.629 2.951 20 30 JFEDRO C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001286745427 1060870353 /nfs/dbraw/zinc/87/03/53/1060870353.db2.gz VUDTYNLKDHQGGT-RPBOFIJWSA-N 1 0 473.593 2.717 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC001286751073 1060879090 /nfs/dbraw/zinc/87/90/90/1060879090.db2.gz MGONBSWZGAVFGV-XAISMOLKSA-N 1 0 459.635 2.865 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C)C(C)C ZINC001286751886 1060879851 /nfs/dbraw/zinc/87/98/51/1060879851.db2.gz VENBWBGCOWNSIF-SLFFLAALSA-N 1 0 467.705 2.821 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C)C(C)C ZINC001286751888 1060879927 /nfs/dbraw/zinc/87/99/27/1060879927.db2.gz VENBWBGCOWNSIF-XUVXKRRUSA-N 1 0 467.705 2.821 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286766787 1060895963 /nfs/dbraw/zinc/89/59/63/1060895963.db2.gz WMQSCFPIOKZFAW-PMACEKPBSA-N 1 0 461.632 2.883 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286766788 1060896026 /nfs/dbraw/zinc/89/60/26/1060896026.db2.gz WMQSCFPIOKZFAW-UXHICEINSA-N 1 0 461.632 2.883 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001286782086 1060927823 /nfs/dbraw/zinc/92/78/23/1060927823.db2.gz JZTNTNPDZKTPJE-KGLIPLIRSA-N 1 0 467.437 2.990 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001286782646 1060929874 /nfs/dbraw/zinc/92/98/74/1060929874.db2.gz AXCJKCAHGLFNBZ-INIZCTEOSA-N 1 0 479.412 2.713 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001286783943 1060935853 /nfs/dbraw/zinc/93/58/53/1060935853.db2.gz QRYFTFBIFQQDAC-UHFFFAOYSA-N 1 0 465.989 2.926 20 30 JFEDRO C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001286789169 1060948584 /nfs/dbraw/zinc/94/85/84/1060948584.db2.gz PXOZNGJXXFAETB-SFHVURJKSA-N 1 0 451.600 2.511 20 30 JFEDRO C=CCOc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286794639 1060969335 /nfs/dbraw/zinc/96/93/35/1060969335.db2.gz MYBZPKQXHJKOTC-DVECYGJZSA-N 1 0 452.603 2.579 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001286799724 1060983476 /nfs/dbraw/zinc/98/34/76/1060983476.db2.gz ZGUYZTBEGCGQNK-FGZHOGPDSA-N 1 0 468.602 2.607 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001286808741 1060998941 /nfs/dbraw/zinc/99/89/41/1060998941.db2.gz NGTFUEPSVLJJRM-YPAWHYETSA-N 1 0 452.603 2.876 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286813267 1061006864 /nfs/dbraw/zinc/00/68/64/1061006864.db2.gz YUCYLRDHWWEYAH-VWPQPMDRSA-N 1 0 454.619 2.933 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286815166 1061015027 /nfs/dbraw/zinc/01/50/27/1061015027.db2.gz NQAFAKBVEFQADC-UHFFFAOYSA-N 1 0 491.658 2.874 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001286817301 1061029925 /nfs/dbraw/zinc/02/99/25/1061029925.db2.gz SPBREOVAHGXKFI-ICSRJNTNSA-N 1 0 489.642 2.626 20 30 JFEDRO C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286827239 1061074521 /nfs/dbraw/zinc/07/45/21/1061074521.db2.gz HVGQRCMCKBRBQO-JOCHJYFZSA-N 1 0 451.644 2.952 20 30 JFEDRO C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286834207 1061085735 /nfs/dbraw/zinc/08/57/35/1061085735.db2.gz CSIHKIZXUNPNPZ-JOCHJYFZSA-N 1 0 484.670 2.828 20 30 JFEDRO Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[NH+]2CCSCC2)cc1Br ZINC001289605860 1061251254 /nfs/dbraw/zinc/25/12/54/1061251254.db2.gz RZQXKCFKAWXDFR-KRWDZBQOSA-N 1 0 477.432 2.794 20 30 JFEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001286902261 1061396450 /nfs/dbraw/zinc/39/64/50/1061396450.db2.gz MDRWIUHHCGBWEC-VHYCJAOWSA-N 1 0 479.629 2.547 20 30 JFEDRO CC(=O)NC1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286904041 1061407718 /nfs/dbraw/zinc/40/77/18/1061407718.db2.gz PONIPLKREXWLFK-RPCJCACASA-N 1 0 453.591 2.562 20 30 JFEDRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001286928868 1061549781 /nfs/dbraw/zinc/54/97/81/1061549781.db2.gz MRHDONOCZPAELO-QHCPKHFHSA-N 1 0 479.629 2.957 20 30 JFEDRO CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286932063 1061559737 /nfs/dbraw/zinc/55/97/37/1061559737.db2.gz KOSADKGOIOCADM-DEOSSOPVSA-N 1 0 479.629 2.526 20 30 JFEDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+](C(C)C)C(C)C)CCO1 ZINC001286942649 1061595877 /nfs/dbraw/zinc/59/58/77/1061595877.db2.gz VUUZDDGRPKWQQU-HSZRJFAPSA-N 1 0 467.618 2.667 20 30 JFEDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001286943269 1061601210 /nfs/dbraw/zinc/60/12/10/1061601210.db2.gz ZRRAGLOQFJQLQP-LADGPHEKSA-N 1 0 479.629 2.526 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286964884 1061739114 /nfs/dbraw/zinc/73/91/14/1061739114.db2.gz FIHSDTFFAAULNT-MOPGFXCFSA-N 1 0 472.663 2.956 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286968398 1061744289 /nfs/dbraw/zinc/74/42/89/1061744289.db2.gz LFNWOKWCTYLCOC-VQTJNVASSA-N 1 0 451.623 2.780 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001286969080 1061744912 /nfs/dbraw/zinc/74/49/12/1061744912.db2.gz DHCZICPYRYNEIY-SFHVURJKSA-N 1 0 455.632 2.970 20 30 JFEDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286976740 1061786733 /nfs/dbraw/zinc/78/67/33/1061786733.db2.gz GJXCSSQEEDNDLB-DRSNIGMVSA-N 1 0 476.672 2.512 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294308622 1061797077 /nfs/dbraw/zinc/79/70/77/1061797077.db2.gz MHMZPJJGVMYHMW-JOCHJYFZSA-N 1 0 464.618 2.933 20 30 JFEDRO CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001294394051 1061965334 /nfs/dbraw/zinc/96/53/34/1061965334.db2.gz WCDJBHQRFXHORC-QHCPKHFHSA-N 1 0 451.619 2.850 20 30 JFEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294460339 1062008313 /nfs/dbraw/zinc/00/83/13/1062008313.db2.gz CRZNAKZYVWLPOX-OAQYLSRUSA-N 1 0 470.643 2.810 20 30 JFEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001287042175 1062011667 /nfs/dbraw/zinc/01/16/67/1062011667.db2.gz BZZGOCIOYLOYIU-FQEVSTJZSA-N 1 0 470.643 2.952 20 30 JFEDRO CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001294522248 1062057976 /nfs/dbraw/zinc/05/79/76/1062057976.db2.gz RLADUNFXJHNPJQ-QFIPXVFZSA-N 1 0 499.685 2.500 20 30 JFEDRO CC(C)(C)OC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001287054055 1062063361 /nfs/dbraw/zinc/06/33/61/1062063361.db2.gz LGXFCSMJMREFEK-UHFFFAOYSA-N 1 0 481.601 2.882 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294649182 1062190947 /nfs/dbraw/zinc/19/09/47/1062190947.db2.gz YXLMNHFURDNZQE-IRLDBZIGSA-N 1 0 470.643 2.952 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 ZINC001294656089 1062200982 /nfs/dbraw/zinc/20/09/82/1062200982.db2.gz DEJWZRDXIHKXSX-FQEVSTJZSA-N 1 0 467.666 2.839 20 30 JFEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 ZINC001294686158 1062246758 /nfs/dbraw/zinc/24/67/58/1062246758.db2.gz NXVZBSKSTCSNOH-UHFFFAOYSA-N 1 0 468.602 2.581 20 30 JFEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001294698825 1062261466 /nfs/dbraw/zinc/26/14/66/1062261466.db2.gz ZNOWHSKBCITJOF-NQIIRXRSSA-N 1 0 473.647 2.661 20 30 JFEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294700435 1062265950 /nfs/dbraw/zinc/26/59/50/1062265950.db2.gz SOVRLLWHJWEEJK-SFTDATJTSA-N 1 0 456.616 2.705 20 30 JFEDRO CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001294741113 1062326547 /nfs/dbraw/zinc/32/65/47/1062326547.db2.gz VIFZVVSZYWVZRQ-OAQYLSRUSA-N 1 0 479.629 2.909 20 30 JFEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294760337 1062350753 /nfs/dbraw/zinc/35/07/53/1062350753.db2.gz OPZRFYOGXIZVCY-PMACEKPBSA-N 1 0 452.559 2.602 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)c1C#N ZINC001290578313 1062384657 /nfs/dbraw/zinc/38/46/57/1062384657.db2.gz YRPFVJJFZWSCER-LJQANCHMSA-N 1 0 467.666 2.938 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001290633311 1062510936 /nfs/dbraw/zinc/51/09/36/1062510936.db2.gz QPWSJAMSVXEKRA-AWRGLXIESA-N 1 0 454.623 2.769 20 30 JFEDRO CCCNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001294834439 1062524749 /nfs/dbraw/zinc/52/47/49/1062524749.db2.gz RORNIXQXRJSODT-UHFFFAOYSA-N 1 0 465.602 2.567 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001287158726 1062552797 /nfs/dbraw/zinc/55/27/97/1062552797.db2.gz UXMHTEZQOUKZSD-RTWAWAEBSA-N 1 0 456.616 2.560 20 30 JFEDRO CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001294871684 1062579290 /nfs/dbraw/zinc/57/92/90/1062579290.db2.gz WYUKBFHELUTEFA-NRFANRHFSA-N 1 0 465.602 2.710 20 30 JFEDRO Cc1nnc(CCn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)[C@H](C)CC#N)s1 ZINC001290693188 1062618299 /nfs/dbraw/zinc/61/82/99/1062618299.db2.gz ZRTRPUDTUCZYPU-LJQANCHMSA-N 1 0 479.658 2.784 20 30 JFEDRO CC(C)C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)[NH+](C)C ZINC001287323936 1062800753 /nfs/dbraw/zinc/80/07/53/1062800753.db2.gz XZTRXMYSLNMNEV-FCHUYYIVSA-N 1 0 464.618 2.833 20 30 JFEDRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001287329533 1062805901 /nfs/dbraw/zinc/80/59/01/1062805901.db2.gz FVOBORPCOKUCFI-FCHUYYIVSA-N 1 0 466.634 2.742 20 30 JFEDRO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001287342362 1062819830 /nfs/dbraw/zinc/81/98/30/1062819830.db2.gz VKOOMBBUZIETAF-LEWJYISDSA-N 1 0 452.607 2.699 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[NH+]1CCSCC1 ZINC001287472030 1062921994 /nfs/dbraw/zinc/92/19/94/1062921994.db2.gz RWOHMBLUDXSRQN-UHFFFAOYSA-N 1 0 457.623 2.863 20 30 JFEDRO CC(C)Cc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287482675 1062939525 /nfs/dbraw/zinc/93/95/25/1062939525.db2.gz XNYAQPYXOVHOOS-DQRAZIAOSA-N 1 0 457.623 2.561 20 30 JFEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 ZINC001291052162 1062983483 /nfs/dbraw/zinc/98/34/83/1062983483.db2.gz OYBINPVWZVZKDT-VXKWHMMOSA-N 1 0 465.646 2.974 20 30 JFEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295173603 1062996413 /nfs/dbraw/zinc/99/64/13/1062996413.db2.gz FKSOSRYFIACAEZ-FQEVSTJZSA-N 1 0 456.616 2.705 20 30 JFEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295175127 1062998797 /nfs/dbraw/zinc/99/87/97/1062998797.db2.gz UPXPAENXYBQMDM-RTWAWAEBSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@@H]1CCC[C@@](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)([NH+](C)C)C1 ZINC001291067908 1063015592 /nfs/dbraw/zinc/01/55/92/1063015592.db2.gz HBZFKOCAHIAKII-KBMIEXCESA-N 1 0 465.602 2.518 20 30 JFEDRO C[C@@H]1CCC[C@@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)([NH+](C)C)C1 ZINC001291068534 1063016162 /nfs/dbraw/zinc/01/61/62/1063016162.db2.gz PIRUJZWVFPEOTI-KKLQWCBXSA-N 1 0 462.664 2.821 20 30 JFEDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O ZINC001291097805 1063060995 /nfs/dbraw/zinc/06/09/95/1063060995.db2.gz BXLITDSGFBOQEE-LJQANCHMSA-N 1 0 458.632 2.952 20 30 JFEDRO C[C@@H]1CCCC[N@H+]1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001291099919 1063066574 /nfs/dbraw/zinc/06/65/74/1063066574.db2.gz PGMNOPPUHVQPSF-UXHICEINSA-N 1 0 465.602 2.660 20 30 JFEDRO CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001287758413 1063084148 /nfs/dbraw/zinc/08/41/48/1063084148.db2.gz BHLLBVCGVCGMFB-NRFANRHFSA-N 1 0 479.629 2.622 20 30 JFEDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001291124206 1063141198 /nfs/dbraw/zinc/14/11/98/1063141198.db2.gz ZKWBMSNZHIUQQS-PZJWPPBQSA-N 1 0 486.642 2.589 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001291124687 1063143730 /nfs/dbraw/zinc/14/37/30/1063143730.db2.gz INQCLYRWZUASOV-NHCUHLMSSA-N 1 0 479.629 2.908 20 30 JFEDRO C[C@H]1CCC[N@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001291124959 1063146717 /nfs/dbraw/zinc/14/67/17/1063146717.db2.gz MPDBAOBOLHBRSL-FPOVZHCZSA-N 1 0 465.602 2.552 20 30 JFEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001291136650 1063193441 /nfs/dbraw/zinc/19/34/41/1063193441.db2.gz BBMNPJLERNCMJQ-NTKDMRAZSA-N 1 0 485.658 2.810 20 30 JFEDRO C[C@@H]1CCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001291138900 1063200964 /nfs/dbraw/zinc/20/09/64/1063200964.db2.gz SIOPHSQWBUYPMH-GOSISDBHSA-N 1 0 477.535 2.897 20 30 JFEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291142443 1063220152 /nfs/dbraw/zinc/22/01/52/1063220152.db2.gz DZOHOGRBVXFYNH-HXUWFJFHSA-N 1 0 499.685 2.703 20 30 JFEDRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001291179573 1063268211 /nfs/dbraw/zinc/26/82/11/1063268211.db2.gz HGQFYQWEHWDDCB-OAQYLSRUSA-N 1 0 470.643 2.810 20 30 JFEDRO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1O ZINC001291186981 1063293353 /nfs/dbraw/zinc/29/33/53/1063293353.db2.gz NGXJUAFOLMSSCE-GHDARCQNSA-N 1 0 452.603 2.912 20 30 JFEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 ZINC001291188555 1063304496 /nfs/dbraw/zinc/30/44/96/1063304496.db2.gz MGZVCWSJROTWOM-QZMQVMSPSA-N 1 0 489.621 2.599 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295360767 1063321961 /nfs/dbraw/zinc/32/19/61/1063321961.db2.gz GTCRWGDDUMAKOU-LPHOPBHVSA-N 1 0 489.466 2.953 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001295387208 1063364042 /nfs/dbraw/zinc/36/40/42/1063364042.db2.gz YTPSJLCSMTWZLC-FPOVZHCZSA-N 1 0 463.590 2.892 20 30 JFEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291218117 1063442478 /nfs/dbraw/zinc/44/24/78/1063442478.db2.gz NXRHUXLKBPAXPU-KNQAVFIVSA-N 1 0 479.629 2.763 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001295464807 1063468490 /nfs/dbraw/zinc/46/84/90/1063468490.db2.gz LSFWJCXKYIWKCB-BZZOAKBMSA-N 1 0 493.612 2.791 20 30 JFEDRO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001291225945 1063471859 /nfs/dbraw/zinc/47/18/59/1063471859.db2.gz ZMCHQGWTAAUUAG-CRAIPNDOSA-N 1 0 452.481 2.551 20 30 JFEDRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1 ZINC001295494675 1063530447 /nfs/dbraw/zinc/53/04/47/1063530447.db2.gz RZWWCSJHHZOARU-RXVVDRJESA-N 1 0 458.632 2.809 20 30 JFEDRO CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001295524328 1063562046 /nfs/dbraw/zinc/56/20/46/1063562046.db2.gz IXQGXPKXXDANGC-UHFFFAOYSA-N 1 0 487.052 3.000 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001295527303 1063565347 /nfs/dbraw/zinc/56/53/47/1063565347.db2.gz HBLNYZWWMBNIQV-NFBKMPQASA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+](CC)CCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001295542915 1063577666 /nfs/dbraw/zinc/57/76/66/1063577666.db2.gz FGJUTQNKHUSZQP-SANMLTNESA-N 1 0 492.628 2.680 20 30 JFEDRO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC(=O)N1C ZINC001291279596 1063600040 /nfs/dbraw/zinc/60/00/40/1063600040.db2.gz RECWUEKSZLEBPG-LAUBAEHRSA-N 1 0 479.610 2.760 20 30 JFEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288392 1063648459 /nfs/dbraw/zinc/64/84/59/1063648459.db2.gz RMAZONHNMWNXEE-DXIQSLLYSA-N 1 0 472.565 2.787 20 30 JFEDRO C[C@@H]1C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)C[C@@H](C)O1 ZINC001291288843 1063652480 /nfs/dbraw/zinc/65/24/80/1063652480.db2.gz ZGLPGRNFQWWTGM-IECBHUPTSA-N 1 0 466.590 2.555 20 30 JFEDRO C[C@@H]1C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC001291289737 1063658974 /nfs/dbraw/zinc/65/89/74/1063658974.db2.gz PEQGFCQBFCSOSB-RTBURBONSA-N 1 0 467.618 2.667 20 30 JFEDRO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)C[C@H](C)O1 ZINC001291293103 1063681843 /nfs/dbraw/zinc/68/18/43/1063681843.db2.gz PAPXPUXNSSBDBK-BGYRXZFFSA-N 1 0 463.586 2.968 20 30 JFEDRO C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291314796 1063747067 /nfs/dbraw/zinc/74/70/67/1063747067.db2.gz JSDXLZGPOHNHQT-ICSRJNTNSA-N 1 0 456.616 2.517 20 30 JFEDRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295755282 1063761663 /nfs/dbraw/zinc/76/16/63/1063761663.db2.gz XAUGLVWORMURJK-GOTSBHOMSA-N 1 0 479.629 2.765 20 30 JFEDRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295755280 1063761766 /nfs/dbraw/zinc/76/17/66/1063761766.db2.gz XAUGLVWORMURJK-DHIUTWEWSA-N 1 0 479.629 2.765 20 30 JFEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001291339465 1063812869 /nfs/dbraw/zinc/81/28/69/1063812869.db2.gz OHJFFQOHBCFIFY-PKTZIBPZSA-N 1 0 479.629 2.669 20 30 JFEDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001291339466 1063813403 /nfs/dbraw/zinc/81/34/03/1063813403.db2.gz OHJFFQOHBCFIFY-XZOQPEGZSA-N 1 0 479.629 2.669 20 30 JFEDRO CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](CC)C(C)C)CC1)S(C)(=O)=O ZINC001295834990 1063851177 /nfs/dbraw/zinc/85/11/77/1063851177.db2.gz ZHTSDEHLYLWGBW-UHFFFAOYSA-N 1 0 487.674 2.797 20 30 JFEDRO CC[N@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC001295850603 1063874105 /nfs/dbraw/zinc/87/41/05/1063874105.db2.gz XHWLDJFZHPYVRC-OAQYLSRUSA-N 1 0 452.607 2.843 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CNC(=O)C2)CC1)C(C)C ZINC001295865918 1063899031 /nfs/dbraw/zinc/89/90/31/1063899031.db2.gz QTFIDWGGVZFSPM-UHFFFAOYSA-N 1 0 465.602 2.566 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)C1CC1 ZINC001295866472 1063900899 /nfs/dbraw/zinc/90/08/99/1063900899.db2.gz XSJOQTSKRUCZAE-LJQANCHMSA-N 1 0 452.559 2.602 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296010856 1064069599 /nfs/dbraw/zinc/06/95/99/1064069599.db2.gz MRLHMBUYOZTTSJ-JTAQYXEDSA-N 1 0 479.629 2.906 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001296012107 1064072720 /nfs/dbraw/zinc/07/27/20/1064072720.db2.gz RKAGMDZJEWFZJU-QKLOHGEXSA-N 1 0 493.612 2.611 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001296022696 1064083538 /nfs/dbraw/zinc/08/35/38/1064083538.db2.gz CUOQXOFODQLKCD-QFIPXVFZSA-N 1 0 470.643 2.952 20 30 JFEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296031337 1064089452 /nfs/dbraw/zinc/08/94/52/1064089452.db2.gz VDMKLHLVVMXJEW-UHFFFAOYSA-N 1 0 479.629 2.943 20 30 JFEDRO CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1)S(C)(=O)=O ZINC001296060128 1064124249 /nfs/dbraw/zinc/12/42/49/1064124249.db2.gz NEAJJAOBYXXQRB-QFIPXVFZSA-N 1 0 485.658 2.551 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 ZINC001296063016 1064129211 /nfs/dbraw/zinc/12/92/11/1064129211.db2.gz RHZVBSAZGWYOSG-HSZRJFAPSA-N 1 0 479.629 2.670 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291605274 1064140594 /nfs/dbraw/zinc/14/05/94/1064140594.db2.gz ICOOBWHLUAMGKT-FCHUYYIVSA-N 1 0 479.677 2.658 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291621514 1064161294 /nfs/dbraw/zinc/16/12/94/1064161294.db2.gz VDBVNGMOUBVFQT-NJYVYQBISA-N 1 0 466.634 2.884 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296127156 1064221224 /nfs/dbraw/zinc/22/12/24/1064221224.db2.gz UBBKOQIAUDBDRJ-RBBKRZOGSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296135045 1064238385 /nfs/dbraw/zinc/23/83/85/1064238385.db2.gz VDXIAMNEEAQICQ-NHCUHLMSSA-N 1 0 469.659 2.634 20 30 JFEDRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001296141700 1064247531 /nfs/dbraw/zinc/24/75/31/1064247531.db2.gz FYLXVCRBZRLHJC-ZSXCCPFRSA-N 1 0 497.575 2.614 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001291782472 1064271206 /nfs/dbraw/zinc/27/12/06/1064271206.db2.gz DOBYSWKQFWYICP-NRFANRHFSA-N 1 0 478.645 2.719 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291782551 1064272345 /nfs/dbraw/zinc/27/23/45/1064272345.db2.gz FISDHDRBBFOFIY-NRFANRHFSA-N 1 0 494.644 2.797 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001291785871 1064281616 /nfs/dbraw/zinc/28/16/16/1064281616.db2.gz XNGRZCIHMSVEBY-FQEVSTJZSA-N 1 0 494.644 2.843 20 30 JFEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1C ZINC001296164837 1064282971 /nfs/dbraw/zinc/28/29/71/1064282971.db2.gz DUZLNELEPDDCNL-IBGZPJMESA-N 1 0 460.586 2.768 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190359 1064338015 /nfs/dbraw/zinc/33/80/15/1064338015.db2.gz CKGJMPCCHVMDBF-MHECFPHRSA-N 1 0 475.563 2.863 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190401 1064338643 /nfs/dbraw/zinc/33/86/43/1064338643.db2.gz DAJLLZBBTRUDTP-NBGIEHNGSA-N 1 0 453.610 2.893 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296190402 1064338907 /nfs/dbraw/zinc/33/89/07/1064338907.db2.gz DAJLLZBBTRUDTP-NLFFAJNJSA-N 1 0 453.610 2.893 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191134 1064341196 /nfs/dbraw/zinc/34/11/96/1064341196.db2.gz HFBPWHYSNSMEBH-NZQKXSOJSA-N 1 0 451.619 2.564 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CC1 ZINC001296196528 1064368055 /nfs/dbraw/zinc/36/80/55/1064368055.db2.gz QFPCDOJCCDCKMU-NRFANRHFSA-N 1 0 494.644 2.511 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001296207302 1064397912 /nfs/dbraw/zinc/39/79/12/1064397912.db2.gz WTFLMMITMJEBJO-UHFFFAOYSA-N 1 0 467.618 2.730 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296307168 1064587343 /nfs/dbraw/zinc/58/73/43/1064587343.db2.gz CGKLJAGIWCVXEK-PMACEKPBSA-N 1 0 464.618 2.789 20 30 JFEDRO CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001292077877 1064760326 /nfs/dbraw/zinc/76/03/26/1064760326.db2.gz VMQNOVCLWJXAHS-KNQAVFIVSA-N 1 0 454.571 2.573 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292122142 1064856044 /nfs/dbraw/zinc/85/60/44/1064856044.db2.gz OBGARTRDWDQVHK-GOTSBHOMSA-N 1 0 496.635 2.815 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292122141 1064856095 /nfs/dbraw/zinc/85/60/95/1064856095.db2.gz OBGARTRDWDQVHK-DHIUTWEWSA-N 1 0 496.635 2.815 20 30 JFEDRO CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001292185574 1064977014 /nfs/dbraw/zinc/97/70/14/1064977014.db2.gz QWRKSAPRJWKUDW-DHIUTWEWSA-N 1 0 451.619 2.846 20 30 JFEDRO CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292461551 1065191038 /nfs/dbraw/zinc/19/10/38/1065191038.db2.gz OVQFKFZMKLAOGZ-QHCPKHFHSA-N 1 0 475.645 2.946 20 30 JFEDRO CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001292524108 1065248803 /nfs/dbraw/zinc/24/88/03/1065248803.db2.gz AXHYIKWINZPLFE-OFNKIYASSA-N 1 0 451.619 2.510 20 30 JFEDRO CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293099693 1065749512 /nfs/dbraw/zinc/74/95/12/1065749512.db2.gz AMFWLQLPICRCEI-QFIPXVFZSA-N 1 0 499.063 2.635 20 30 JFEDRO CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293099692 1065749565 /nfs/dbraw/zinc/74/95/65/1065749565.db2.gz AMFWLQLPICRCEI-JOCHJYFZSA-N 1 0 499.063 2.635 20 30 JFEDRO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293112960 1065758808 /nfs/dbraw/zinc/75/88/08/1065758808.db2.gz AVYWVUCIHDKZPU-HBMCJLEFSA-N 1 0 465.650 2.975 20 30 JFEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001293379087 1065982995 /nfs/dbraw/zinc/98/29/95/1065982995.db2.gz MMNZTOLUPUMBMQ-MZYLBHOOSA-N 1 0 468.602 2.843 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC[N@@H+]1CCOC ZINC001293541599 1066061394 /nfs/dbraw/zinc/06/13/94/1066061394.db2.gz KBEBHUSISWPTMM-MDNUFGMLSA-N 1 0 452.603 2.915 20 30 JFEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(NC(C)=O)nc2)CC[N@@H+]1CCOC ZINC001293544549 1066063640 /nfs/dbraw/zinc/06/36/40/1066063640.db2.gz VCUTZEKRJZWSBH-QHCPKHFHSA-N 1 0 488.596 2.765 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CC[N@@H+]1CCOC ZINC001293561039 1066075097 /nfs/dbraw/zinc/07/50/97/1066075097.db2.gz NFINNDIDAWTXPR-HSZRJFAPSA-N 1 0 462.602 2.959 20 30 JFEDRO CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC[N@@H+]1CCOC ZINC001293619968 1066136925 /nfs/dbraw/zinc/13/69/25/1066136925.db2.gz FEZKYASNNAKOHT-GOSISDBHSA-N 1 0 455.588 2.694 20 30 JFEDRO CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)C2)C1 ZINC001293622694 1066139077 /nfs/dbraw/zinc/13/90/77/1066139077.db2.gz VOLIUVYXPSLFEG-ABGUIGEDSA-N 1 0 453.587 2.949 20 30 JFEDRO CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)C2)C1 ZINC001293622695 1066139111 /nfs/dbraw/zinc/13/91/11/1066139111.db2.gz VOLIUVYXPSLFEG-CMAULLTDSA-N 1 0 453.587 2.949 20 30 JFEDRO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CC[NH+](CC)CC2)C[C@H](C)O1 ZINC001293640916 1066157551 /nfs/dbraw/zinc/15/75/51/1066157551.db2.gz WHLOOKJEUADDRQ-GMAHTHKFSA-N 1 0 481.645 2.760 20 30 JFEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001293742098 1066207216 /nfs/dbraw/zinc/20/72/16/1066207216.db2.gz ITFZABRUVQZGGW-XZOQPEGZSA-N 1 0 479.629 2.549 20 30 JFEDRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001293852217 1066358367 /nfs/dbraw/zinc/35/83/67/1066358367.db2.gz QJEOBTXTRNAQKU-GMAHTHKFSA-N 1 0 493.656 2.918 20 30 JFEDRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001293853054 1066359391 /nfs/dbraw/zinc/35/93/91/1066359391.db2.gz SKPOHEOVQMJCHB-NZQKXSOJSA-N 1 0 479.629 2.670 20 30 JFEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164714447 720168695 /nfs/dbraw/zinc/16/86/95/720168695.db2.gz PFTZQHDASYLOHU-ZJSXRUAMSA-N 1 0 472.597 2.785 20 30 JFEDRO Cn1nnc2c1CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719936 720188657 /nfs/dbraw/zinc/18/86/57/720188657.db2.gz ZAMDYISNDHCKIC-AUSIDOKSSA-N 1 0 476.560 2.616 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813557 720217494 /nfs/dbraw/zinc/21/74/94/720217494.db2.gz PDCRLOUJOMQNQN-UHFFFAOYSA-N 1 0 458.950 2.591 20 30 JFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828316 720306360 /nfs/dbraw/zinc/30/63/60/720306360.db2.gz ZXVMYFDGALKQTG-HOTGVXAUSA-N 1 0 453.012 2.572 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164825278 720307480 /nfs/dbraw/zinc/30/74/80/720307480.db2.gz SZHWQXCYMORFHY-OALUTQOASA-N 1 0 459.978 2.695 20 30 JFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC1 ZINC001164830344 720331194 /nfs/dbraw/zinc/33/11/94/720331194.db2.gz PTAJTFSTRCUILP-NHCUHLMSSA-N 1 0 452.603 2.849 20 30 JFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742107 720819161 /nfs/dbraw/zinc/81/91/61/720819161.db2.gz PWGLSMMMTAJYHT-HLLBOEOZSA-N 1 0 463.011 2.631 20 30 JFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742109 720819851 /nfs/dbraw/zinc/81/98/51/720819851.db2.gz PWGLSMMMTAJYHT-ZMSDIMECSA-N 1 0 463.011 2.631 20 30 JFEDRO CSc1nc(-c2ccccc2)nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c1C#N ZINC001164750053 720958540 /nfs/dbraw/zinc/95/85/40/720958540.db2.gz JJVXBQJXQHCOKE-UHFFFAOYSA-N 1 0 463.567 2.579 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867204 721111983 /nfs/dbraw/zinc/11/19/83/721111983.db2.gz WVEYTJKMYFBECH-FGZHOGPDSA-N 1 0 464.642 2.972 20 30 JFEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC2)C1 ZINC001164875733 721292988 /nfs/dbraw/zinc/29/29/88/721292988.db2.gz GGNHLEHFTQVQJZ-UHFFFAOYSA-N 1 0 484.988 2.801 20 30 JFEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164896604 721426274 /nfs/dbraw/zinc/42/62/74/721426274.db2.gz ROWMQGUQNKXPCU-NBGIEHNGSA-N 1 0 454.619 2.703 20 30 JFEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 ZINC001164934595 721879303 /nfs/dbraw/zinc/87/93/03/721879303.db2.gz SGHZFUHYZDOSGM-VXNXHJTFSA-N 1 0 490.633 2.883 20 30 JFEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 ZINC001164934593 721879612 /nfs/dbraw/zinc/87/96/12/721879612.db2.gz SGHZFUHYZDOSGM-RBZQAINGSA-N 1 0 490.633 2.883 20 30 JFEDRO N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC001299741064 1059499206 /nfs/dbraw/zinc/49/92/06/1059499206.db2.gz UWFGRXYFQSIVAM-HXUWFJFHSA-N 1 0 452.580 2.866 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([NH+](C)C)CCCCC1 ZINC001286285630 1060044137 /nfs/dbraw/zinc/04/41/37/1060044137.db2.gz NWRPKEWCBXPWCT-GOSISDBHSA-N 1 0 457.648 2.961 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC1CCOCC1 ZINC001286304810 1060057793 /nfs/dbraw/zinc/05/77/93/1060057793.db2.gz XUCARIVLQOSROL-JOCHJYFZSA-N 1 0 450.631 2.917 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC001286308491 1060061166 /nfs/dbraw/zinc/06/11/66/1060061166.db2.gz IWZIBHOCUMWRJJ-HSZRJFAPSA-N 1 0 452.603 2.780 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC001286308492 1060061211 /nfs/dbraw/zinc/06/12/11/1060061211.db2.gz IWZIBHOCUMWRJJ-QHCPKHFHSA-N 1 0 452.603 2.780 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001286308843 1060062347 /nfs/dbraw/zinc/06/23/47/1060062347.db2.gz DYUSWLMXOHBZLX-DEOSSOPVSA-N 1 0 487.608 2.753 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC(C)CC2)c1 ZINC001286309299 1060063136 /nfs/dbraw/zinc/06/31/36/1060063136.db2.gz QFXAMGDHCUAMBW-UHFFFAOYSA-N 1 0 491.640 2.692 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2CCC(C)CC2)c1 ZINC001286310649 1060068033 /nfs/dbraw/zinc/06/80/33/1060068033.db2.gz XCDLWUAPKWTGPK-QHCPKHFHSA-N 1 0 491.640 2.798 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@H+](C)C2CC2)c1 ZINC001286311784 1060071351 /nfs/dbraw/zinc/07/13/51/1060071351.db2.gz QBBQOADSILAXAM-AZUAARDMSA-N 1 0 450.587 2.711 20 30 JFEDRO C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001286337088 1060090626 /nfs/dbraw/zinc/09/06/26/1060090626.db2.gz WUDLFMFYWFMXHC-ZRZAMGCNSA-N 1 0 466.678 2.938 20 30 JFEDRO C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286338740 1060093622 /nfs/dbraw/zinc/09/36/22/1060093622.db2.gz DQACWYWRLPHICJ-HXUWFJFHSA-N 1 0 472.540 2.703 20 30 JFEDRO C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001286339787 1060095233 /nfs/dbraw/zinc/09/52/33/1060095233.db2.gz ZEDGSLBBUCDQHG-URVUXULASA-N 1 0 472.659 2.791 20 30 JFEDRO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286340179 1060096196 /nfs/dbraw/zinc/09/61/96/1060096196.db2.gz USGDKDBNLTVGSS-UHFFFAOYSA-N 1 0 472.659 2.919 20 30 JFEDRO C#CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001286349028 1060104267 /nfs/dbraw/zinc/10/42/67/1060104267.db2.gz RTAKBOYOYIKDRM-HXUWFJFHSA-N 1 0 477.613 2.543 20 30 JFEDRO C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001286349627 1060106232 /nfs/dbraw/zinc/10/62/32/1060106232.db2.gz LAQOTWAJPWWOKX-QHCPKHFHSA-N 1 0 469.655 2.942 20 30 JFEDRO C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCC[N@H+]1CCC ZINC001286365518 1060129033 /nfs/dbraw/zinc/12/90/33/1060129033.db2.gz CITYZFMRZYODQU-FQEVSTJZSA-N 1 0 458.632 2.529 20 30 JFEDRO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001286376534 1060139351 /nfs/dbraw/zinc/13/93/51/1060139351.db2.gz LQFJQOJFCMDFGL-JOCHJYFZSA-N 1 0 498.628 2.645 20 30 JFEDRO C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001286378107 1060142112 /nfs/dbraw/zinc/14/21/12/1060142112.db2.gz HOBHVWPBPJWKDB-UHFFFAOYSA-N 1 0 450.612 2.708 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382026 1060153249 /nfs/dbraw/zinc/15/32/49/1060153249.db2.gz IRPDZHLJTZXOMM-JAXLGGSGSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387219 1060199650 /nfs/dbraw/zinc/19/96/50/1060199650.db2.gz BLWSVGPVCJAOKT-JTHBVZDNSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387640 1060202640 /nfs/dbraw/zinc/20/26/40/1060202640.db2.gz HKUIICRJUXSLDW-RBBKRZOGSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387974 1060205604 /nfs/dbraw/zinc/20/56/04/1060205604.db2.gz JHQWJGGQWRGHST-RBBKRZOGSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286388529 1060211707 /nfs/dbraw/zinc/21/17/07/1060211707.db2.gz QQNOFYHIBHNDKB-UGKGYDQZSA-N 1 0 481.622 2.994 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388528 1060211942 /nfs/dbraw/zinc/21/19/42/1060211942.db2.gz QQNOFYHIBHNDKB-SIKLNZKXSA-N 1 0 481.622 2.994 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286388561 1060212539 /nfs/dbraw/zinc/21/25/39/1060212539.db2.gz RIOYBNKETRVRID-ZVDOUQERSA-N 1 0 473.643 2.841 20 30 JFEDRO C#CCN(c1nnc(C2CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389024 1060217474 /nfs/dbraw/zinc/21/74/74/1060217474.db2.gz DPIZWEMVYOTPEU-WIYYLYMNSA-N 1 0 455.628 2.912 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2F)n1CCC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286390869 1060228833 /nfs/dbraw/zinc/22/88/33/1060228833.db2.gz AKFSOOZYUZRDHJ-NRFANRHFSA-N 1 0 473.618 2.511 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1CC1([NH+](C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286392755 1060240075 /nfs/dbraw/zinc/24/00/75/1060240075.db2.gz NLKHLSPPFAVYJV-QFIPXVFZSA-N 1 0 469.655 2.564 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](CC)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286392926 1060240736 /nfs/dbraw/zinc/24/07/36/1060240736.db2.gz DBEKBYCEXNMCEG-YADHBBJMSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2F)n1CC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393029 1060241309 /nfs/dbraw/zinc/24/13/09/1060241309.db2.gz IYIKKNBCZHIJFN-OAQYLSRUSA-N 1 0 475.634 2.754 20 30 JFEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1CCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393656 1060245659 /nfs/dbraw/zinc/24/56/59/1060245659.db2.gz RGFSVZZSUPEIOE-WIYYLYMNSA-N 1 0 490.699 2.525 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286393905 1060247025 /nfs/dbraw/zinc/24/70/25/1060247025.db2.gz LQWAJJUYZMPIHR-GOTSBHOMSA-N 1 0 487.645 2.755 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286394254 1060249759 /nfs/dbraw/zinc/24/97/59/1060249759.db2.gz HYCULINDOBEWTG-PKTZIBPZSA-N 1 0 499.681 2.913 20 30 JFEDRO C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397197 1060268230 /nfs/dbraw/zinc/26/82/30/1060268230.db2.gz YCPYMHFLYUBAJH-RTWAWAEBSA-N 1 0 463.692 2.861 20 30 JFEDRO C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286397746 1060270100 /nfs/dbraw/zinc/27/01/00/1060270100.db2.gz PPVCGVHHPNVMIC-NRFANRHFSA-N 1 0 452.990 2.809 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+](C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286398708 1060276021 /nfs/dbraw/zinc/27/60/21/1060276021.db2.gz MZZBDVWIAJUCMH-BHDDXSALSA-N 1 0 491.702 2.698 20 30 JFEDRO C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286399592 1060279470 /nfs/dbraw/zinc/27/94/70/1060279470.db2.gz JWBRBXMDZWAHGQ-DEOSSOPVSA-N 1 0 472.637 2.764 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1CC[NH+](CC)CC1 ZINC001286400338 1060280594 /nfs/dbraw/zinc/28/05/94/1060280594.db2.gz CUMQSSAIBLJTPR-UHFFFAOYSA-N 1 0 481.670 2.741 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001286401980 1060284349 /nfs/dbraw/zinc/28/43/49/1060284349.db2.gz ULWNBIHCGBCRQM-QFIPXVFZSA-N 1 0 482.654 2.533 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001286402336 1060284843 /nfs/dbraw/zinc/28/48/43/1060284843.db2.gz WFZDDMDJCMDPSY-FQEVSTJZSA-N 1 0 453.612 2.686 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC[NH+]1CCC(C)CC1 ZINC001286403429 1060286171 /nfs/dbraw/zinc/28/61/71/1060286171.db2.gz JYVXRCWHKWKYFU-UHFFFAOYSA-N 1 0 457.586 2.506 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001286408718 1060292899 /nfs/dbraw/zinc/29/28/99/1060292899.db2.gz KLZZWOQWYJROLJ-NHCUHLMSSA-N 1 0 471.609 2.633 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286408719 1060292923 /nfs/dbraw/zinc/29/29/23/1060292923.db2.gz KLZZWOQWYJROLJ-OYRHEFFESA-N 1 0 471.609 2.633 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286409157 1060294048 /nfs/dbraw/zinc/29/40/48/1060294048.db2.gz INTPYFXZKUMGIA-PMACEKPBSA-N 1 0 482.585 2.555 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCC[N@H+]1CCCC ZINC001286409657 1060295116 /nfs/dbraw/zinc/29/51/16/1060295116.db2.gz SLOPSKDIVUJOBK-NRFANRHFSA-N 1 0 481.670 2.966 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001286412854 1060298438 /nfs/dbraw/zinc/29/84/38/1060298438.db2.gz FOLWAPNKHCELPJ-JOCHJYFZSA-N 1 0 484.645 2.578 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001286414049 1060299707 /nfs/dbraw/zinc/29/97/07/1060299707.db2.gz QZVJQQALNGUPLI-SFTDATJTSA-N 1 0 454.619 2.950 20 30 JFEDRO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001286416701 1060304381 /nfs/dbraw/zinc/30/43/81/1060304381.db2.gz VSWHQJSZJKDTQU-FQEVSTJZSA-N 1 0 472.618 2.789 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC[NH+]1CCN(CC)CC1 ZINC001286419096 1060306885 /nfs/dbraw/zinc/30/68/85/1060306885.db2.gz XBAZCLKVDGFAQT-UHFFFAOYSA-N 1 0 486.462 2.537 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001286419360 1060307611 /nfs/dbraw/zinc/30/76/11/1060307611.db2.gz UHBYAGWWPHNPRT-NRFANRHFSA-N 1 0 455.566 2.909 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286421425 1060309096 /nfs/dbraw/zinc/30/90/96/1060309096.db2.gz DDVRTNDMFNXZIX-HXUWFJFHSA-N 1 0 481.670 2.741 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[N@@H+](CCC)C1 ZINC001286422297 1060309872 /nfs/dbraw/zinc/30/98/72/1060309872.db2.gz XWNJZZOISCXKBP-FQEVSTJZSA-N 1 0 453.612 2.543 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001286424637 1060312592 /nfs/dbraw/zinc/31/25/92/1060312592.db2.gz FFMZTARPQMHSQY-QFIPXVFZSA-N 1 0 465.598 2.782 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286425025 1060313317 /nfs/dbraw/zinc/31/33/17/1060313317.db2.gz UTLXNSKQCAIQJF-OYRHEFFESA-N 1 0 465.598 2.925 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001286430695 1060320699 /nfs/dbraw/zinc/32/06/99/1060320699.db2.gz PWUOMUMLOOYQJH-NHTMILBNSA-N 1 0 458.610 2.993 20 30 JFEDRO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001286444827 1060332952 /nfs/dbraw/zinc/33/29/52/1060332952.db2.gz BXTGAGQDZJTVNF-JOCHJYFZSA-N 1 0 487.693 2.880 20 30 JFEDRO C#CCN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001286449712 1060334819 /nfs/dbraw/zinc/33/48/19/1060334819.db2.gz DNAJUQSJEOIYJP-UHFFFAOYSA-N 1 0 491.684 2.751 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286462957 1060350399 /nfs/dbraw/zinc/35/03/99/1060350399.db2.gz CJEQZAFWMHEXRW-UHFFFAOYSA-N 1 0 495.031 2.665 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001286466185 1060353483 /nfs/dbraw/zinc/35/34/83/1060353483.db2.gz XGEQOFIQCKHDJM-RPWUZVMVSA-N 1 0 467.614 2.897 20 30 JFEDRO C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286466670 1060354535 /nfs/dbraw/zinc/35/45/35/1060354535.db2.gz IGDNMGCQCYAMTL-YADHBBJMSA-N 1 0 480.661 2.659 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001286470338 1060362257 /nfs/dbraw/zinc/36/22/57/1060362257.db2.gz UDEPEKJUGUOLPJ-OYRHEFFESA-N 1 0 474.650 2.867 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCSCC2)CC1 ZINC001286474166 1060380960 /nfs/dbraw/zinc/38/09/60/1060380960.db2.gz CVRMGZROXYDLIC-UHFFFAOYSA-N 1 0 493.450 2.651 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286474962 1060388204 /nfs/dbraw/zinc/38/82/04/1060388204.db2.gz UBPSYRRETIMVKZ-UHFFFAOYSA-N 1 0 466.630 2.840 20 30 JFEDRO C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC001286481686 1060403261 /nfs/dbraw/zinc/40/32/61/1060403261.db2.gz WPFGJOSPEKMRSU-DEOSSOPVSA-N 1 0 493.704 2.574 20 30 JFEDRO C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286483789 1060410021 /nfs/dbraw/zinc/41/00/21/1060410021.db2.gz YYSYTPOTFOISHH-DHIUTWEWSA-N 1 0 464.658 2.706 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCCC)CC1 ZINC001286485735 1060429475 /nfs/dbraw/zinc/42/94/75/1060429475.db2.gz WQFCULSUVDPMQN-OYRHEFFESA-N 1 0 473.666 2.536 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286488455 1060451390 /nfs/dbraw/zinc/45/13/90/1060451390.db2.gz NYVMVXGETVQWHX-PGRDOPGGSA-N 1 0 482.604 2.863 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286489461 1060464813 /nfs/dbraw/zinc/46/48/13/1060464813.db2.gz UCDYOMLTZCFBBF-OAQYLSRUSA-N 1 0 499.059 2.921 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001286489633 1060466802 /nfs/dbraw/zinc/46/68/02/1060466802.db2.gz AGESGGVWGJGWHW-QHCPKHFHSA-N 1 0 459.598 2.552 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001286489659 1060467689 /nfs/dbraw/zinc/46/76/89/1060467689.db2.gz BHNHFNQMTWRFNK-KBMIEXCESA-N 1 0 451.619 2.750 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001286489681 1060467781 /nfs/dbraw/zinc/46/77/81/1060467781.db2.gz CBKSTEXSFUTADO-FQEVSTJZSA-N 1 0 488.640 2.774 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286491336 1060483921 /nfs/dbraw/zinc/48/39/21/1060483921.db2.gz NMWMLZNDHIHWRJ-UHFFFAOYSA-N 1 0 492.668 2.965 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001286491397 1060484785 /nfs/dbraw/zinc/48/47/85/1060484785.db2.gz QDQDPBLWMMHGSU-UHFFFAOYSA-N 1 0 498.672 2.801 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286491384 1060484840 /nfs/dbraw/zinc/48/48/40/1060484840.db2.gz PPUSZJZOMMZFGT-DEOSSOPVSA-N 1 0 489.599 2.672 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286493100 1060501125 /nfs/dbraw/zinc/50/11/25/1060501125.db2.gz DRLCYSRCAKTTSZ-ZRZAMGCNSA-N 1 0 492.668 2.528 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286494686 1060508460 /nfs/dbraw/zinc/50/84/60/1060508460.db2.gz QDQONTKPWXYRFA-IBGZPJMESA-N 1 0 483.686 2.720 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001286494721 1060508484 /nfs/dbraw/zinc/50/84/84/1060508484.db2.gz QIWXVOUJLPAYHB-XMMPIXPASA-N 1 0 492.668 2.912 20 30 JFEDRO C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286498404 1060518387 /nfs/dbraw/zinc/51/83/87/1060518387.db2.gz HPQZXGQSSWNYCT-UHFFFAOYSA-N 1 0 470.599 2.768 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286514989 1060549930 /nfs/dbraw/zinc/54/99/30/1060549930.db2.gz CXBUVJARQCWSJX-DYESRHJHSA-N 1 0 461.408 2.875 20 30 JFEDRO C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001286515177 1060550421 /nfs/dbraw/zinc/55/04/21/1060550421.db2.gz UJHBGKVQLIZXIN-GOTSBHOMSA-N 1 0 469.655 2.999 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC[NH+]1CCN(CC)CC1 ZINC001286515854 1060550963 /nfs/dbraw/zinc/55/09/63/1060550963.db2.gz PVJFQDAGCDWGED-HHHXNRCGSA-N 1 0 496.656 2.991 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001286519052 1060554895 /nfs/dbraw/zinc/55/48/95/1060554895.db2.gz PUFCEIPZPCNHKG-JIPXPUAJSA-N 1 0 481.641 2.999 20 30 JFEDRO C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286530278 1060563352 /nfs/dbraw/zinc/56/33/52/1060563352.db2.gz KXVSYARLYCPUMO-LJQANCHMSA-N 1 0 496.498 2.710 20 30 JFEDRO C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001286531072 1060565539 /nfs/dbraw/zinc/56/55/39/1060565539.db2.gz UXWSUABSCXZEHX-QGZVFWFLSA-N 1 0 492.422 2.771 20 30 JFEDRO C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286538017 1060579940 /nfs/dbraw/zinc/57/99/40/1060579940.db2.gz LBOSTZONEHSWHP-WOJBJXKFSA-N 1 0 497.482 2.660 20 30 JFEDRO C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286540392 1060583684 /nfs/dbraw/zinc/58/36/84/1060583684.db2.gz AIEQKRKCSFWEES-MRXNPFEDSA-N 1 0 472.453 2.544 20 30 JFEDRO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286591332 1060687495 /nfs/dbraw/zinc/68/74/95/1060687495.db2.gz PYMZBJUYEJPGRB-QFIPXVFZSA-N 1 0 484.645 2.770 20 30 JFEDRO C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001286592762 1060691920 /nfs/dbraw/zinc/69/19/20/1060691920.db2.gz UPLUNXLDVJJWTP-NRFANRHFSA-N 1 0 490.649 2.711 20 30 JFEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001286594112 1060695020 /nfs/dbraw/zinc/69/50/20/1060695020.db2.gz AGWZZMRLPYUMBO-UHFFFAOYSA-N 1 0 451.619 2.659 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286604260 1060708974 /nfs/dbraw/zinc/70/89/74/1060708974.db2.gz QNPGCIWBNCZLBI-OFVILXPXSA-N 1 0 491.640 2.788 20 30 JFEDRO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286611584 1060722594 /nfs/dbraw/zinc/72/25/94/1060722594.db2.gz MLXHEUSAFXEDPG-UHFFFAOYSA-N 1 0 477.613 2.577 20 30 JFEDRO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC001286615654 1060730605 /nfs/dbraw/zinc/73/06/05/1060730605.db2.gz SNZIEBJBECOZSG-QUCCMNQESA-N 1 0 472.659 2.912 20 30 JFEDRO C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CC[NH+](CCC)CC1)c1ccccc1 ZINC001286616023 1060731149 /nfs/dbraw/zinc/73/11/49/1060731149.db2.gz ZSMORRABVHJWCL-LJQANCHMSA-N 1 0 460.648 2.912 20 30 JFEDRO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001286619570 1060735337 /nfs/dbraw/zinc/73/53/37/1060735337.db2.gz BQQJZVWJIQAWRG-FGTMMUONSA-N 1 0 459.060 2.732 20 30 JFEDRO C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001286621093 1060738034 /nfs/dbraw/zinc/73/80/34/1060738034.db2.gz ZRKIKWUNQDGUDU-MJGOQNOKSA-N 1 0 467.039 2.599 20 30 JFEDRO C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@@H+](C)CCCOC)CC1 ZINC001286647022 1060763514 /nfs/dbraw/zinc/76/35/14/1060763514.db2.gz YSRVWCGOZLHWLA-UHFFFAOYSA-N 1 0 454.623 2.577 20 30 JFEDRO C=C1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCNC(=O)C(C)C)CC1 ZINC001286647904 1060764028 /nfs/dbraw/zinc/76/40/28/1060764028.db2.gz LSWJHKCWYJJHIU-UHFFFAOYSA-N 1 0 465.646 2.571 20 30 JFEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001286651351 1060766797 /nfs/dbraw/zinc/76/67/97/1060766797.db2.gz BFPYRIMKRBFZCU-NPPFBWRTSA-N 1 0 452.669 2.801 20 30 JFEDRO C=CC1CCN(c2nnc(Cc3cccnc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001286662882 1060774361 /nfs/dbraw/zinc/77/43/61/1060774361.db2.gz ZQUPYUVGUHWBTD-QFIPXVFZSA-N 1 0 451.619 2.609 20 30 JFEDRO C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001286663516 1060776561 /nfs/dbraw/zinc/77/65/61/1060776561.db2.gz NDSXRYOSYMLCQK-JOCHJYFZSA-N 1 0 487.670 2.961 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286673043 1060787726 /nfs/dbraw/zinc/78/77/26/1060787726.db2.gz SZGYZGHELPLLHJ-KSEOMHKRSA-N 1 0 458.651 2.763 20 30 JFEDRO C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001286683462 1060796675 /nfs/dbraw/zinc/79/66/75/1060796675.db2.gz RNTNKURHRFWHOG-UHFFFAOYSA-N 1 0 453.591 2.830 20 30 JFEDRO C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001286692177 1060803708 /nfs/dbraw/zinc/80/37/08/1060803708.db2.gz COYNUCXJTAFULL-HSALFYBXSA-N 1 0 452.669 2.945 20 30 JFEDRO C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286703532 1060816071 /nfs/dbraw/zinc/81/60/71/1060816071.db2.gz CMIFNPMUAZLPFB-NRFANRHFSA-N 1 0 456.566 2.705 20 30 JFEDRO C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286708653 1060824757 /nfs/dbraw/zinc/82/47/57/1060824757.db2.gz RMRCFKVHOBQSSN-SQJMNOBHSA-N 1 0 491.640 2.788 20 30 JFEDRO C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286709617 1060827295 /nfs/dbraw/zinc/82/72/95/1060827295.db2.gz ZOFUZGBXJLMUJQ-UHFFFAOYSA-N 1 0 450.587 2.958 20 30 JFEDRO C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286710864 1060830638 /nfs/dbraw/zinc/83/06/38/1060830638.db2.gz FAZXETMXORMFLK-BGYRXZFFSA-N 1 0 455.607 2.653 20 30 JFEDRO C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001286724285 1060846694 /nfs/dbraw/zinc/84/66/94/1060846694.db2.gz GYTSAKSSYGKGDG-UHFFFAOYSA-N 1 0 462.639 2.862 20 30 JFEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286741086 1060862061 /nfs/dbraw/zinc/86/20/61/1060862061.db2.gz CFXAHVWNKUGLAF-YKSBVNFPSA-N 1 0 465.627 2.731 20 30 JFEDRO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286746340 1060871725 /nfs/dbraw/zinc/87/17/25/1060871725.db2.gz VYWFPKIJTJPZMQ-FYYLOGMGSA-N 1 0 487.670 2.874 20 30 JFEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C ZINC001286751882 1060879837 /nfs/dbraw/zinc/87/98/37/1060879837.db2.gz VBPUWMKPRSSJRJ-QFIPXVFZSA-N 1 0 497.688 2.661 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C ZINC001286752264 1060880803 /nfs/dbraw/zinc/88/08/03/1060880803.db2.gz YBZFGFFWQFKUMN-JOCHJYFZSA-N 1 0 473.666 2.674 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001286765249 1060891917 /nfs/dbraw/zinc/89/19/17/1060891917.db2.gz AWRQIDMSLBASJP-PMACEKPBSA-N 1 0 461.632 2.740 20 30 JFEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001286776616 1060912629 /nfs/dbraw/zinc/91/26/29/1060912629.db2.gz MRDGQUHJAKOBAO-LJQANCHMSA-N 1 0 450.509 2.596 20 30 JFEDRO C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286779157 1060918253 /nfs/dbraw/zinc/91/82/53/1060918253.db2.gz OYEHMJLQRITYHC-BHDDXSALSA-N 1 0 460.667 2.614 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286782085 1060927980 /nfs/dbraw/zinc/92/79/80/1060927980.db2.gz JZTNTNPDZKTPJE-KBPBESRZSA-N 1 0 467.437 2.990 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001286783104 1060931971 /nfs/dbraw/zinc/93/19/71/1060931971.db2.gz GTVJBECTABXSFK-QUCCMNQESA-N 1 0 468.602 2.718 20 30 JFEDRO C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001286789584 1060949748 /nfs/dbraw/zinc/94/97/48/1060949748.db2.gz FVIWFNIBKWEEKO-NRFANRHFSA-N 1 0 452.603 2.841 20 30 JFEDRO C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286789515 1060949796 /nfs/dbraw/zinc/94/97/96/1060949796.db2.gz TUJVJUPOBIZLTP-UHFFFAOYSA-N 1 0 452.603 2.634 20 30 JFEDRO C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001286789659 1060950248 /nfs/dbraw/zinc/95/02/48/1060950248.db2.gz IPALDAIUXQQEIG-UHFFFAOYSA-N 1 0 456.641 2.659 20 30 JFEDRO C=CCNC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCC[C@@H](C)C1 ZINC001286790561 1060952481 /nfs/dbraw/zinc/95/24/81/1060952481.db2.gz NLIGVEHVKURLMI-JOCHJYFZSA-N 1 0 465.646 2.571 20 30 JFEDRO C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286792001 1060958971 /nfs/dbraw/zinc/95/89/71/1060958971.db2.gz JRGHWHLXRVIXQY-NRFANRHFSA-N 1 0 452.603 2.841 20 30 JFEDRO C=CCOc1ccc(Cn2c(C)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)cc1 ZINC001286794638 1060969182 /nfs/dbraw/zinc/96/91/82/1060969182.db2.gz MYBZPKQXHJKOTC-CYFREDJKSA-N 1 0 452.603 2.579 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001286798342 1060978552 /nfs/dbraw/zinc/97/85/52/1060978552.db2.gz JSBIIURZTYDWGH-PMACEKPBSA-N 1 0 453.591 2.971 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@@H]2C)C1 ZINC001286802902 1060988784 /nfs/dbraw/zinc/98/87/84/1060988784.db2.gz XATZARCYDXDHCN-ICSRJNTNSA-N 1 0 459.616 2.614 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001286803152 1060989582 /nfs/dbraw/zinc/98/95/82/1060989582.db2.gz DEMFLPHBQOMALS-OAQYLSRUSA-N 1 0 484.645 2.770 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001286803829 1060990754 /nfs/dbraw/zinc/99/07/54/1060990754.db2.gz KDXUKNFTAISOSH-OFNKIYASSA-N 1 0 454.619 2.761 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001286809994 1060999931 /nfs/dbraw/zinc/99/99/31/1060999931.db2.gz MTVRELHJCGOFCS-GXRSIYKFSA-N 1 0 479.691 2.720 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001286809992 1061000046 /nfs/dbraw/zinc/00/00/46/1061000046.db2.gz MTVRELHJCGOFCS-FNAHDJPLSA-N 1 0 479.691 2.720 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001286813123 1061006977 /nfs/dbraw/zinc/00/69/77/1061006977.db2.gz RVUBWKXGFFCHGV-SFHVURJKSA-N 1 0 458.632 2.925 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286821789 1061054246 /nfs/dbraw/zinc/05/42/46/1061054246.db2.gz VESZUXNRRDCPNZ-GOSISDBHSA-N 1 0 479.597 2.813 20 30 JFEDRO C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286827541 1061075486 /nfs/dbraw/zinc/07/54/86/1061075486.db2.gz SJQIZGYYSMCJFS-UHFFFAOYSA-N 1 0 453.620 2.761 20 30 JFEDRO C=CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001286835382 1061088285 /nfs/dbraw/zinc/08/82/85/1061088285.db2.gz WRULQAJUYRKHQV-JOCHJYFZSA-N 1 0 497.713 2.619 20 30 JFEDRO Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC001289606123 1061251190 /nfs/dbraw/zinc/25/11/90/1061251190.db2.gz VKSIQLZTMPVQCM-OAQYLSRUSA-N 1 0 450.543 2.954 20 30 JFEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286904056 1061407692 /nfs/dbraw/zinc/40/76/92/1061407692.db2.gz OTWRAMLUFSOEGC-UHFFFAOYSA-N 1 0 479.629 2.813 20 30 JFEDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001286906936 1061433709 /nfs/dbraw/zinc/43/37/09/1061433709.db2.gz OXSHLFRMHBKNTA-DNVFCKCGSA-N 1 0 479.629 2.809 20 30 JFEDRO CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286933085 1061564565 /nfs/dbraw/zinc/56/45/65/1061564565.db2.gz TTWFKMQLBUXAHD-DEOSSOPVSA-N 1 0 479.629 2.526 20 30 JFEDRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001286942352 1061593785 /nfs/dbraw/zinc/59/37/85/1061593785.db2.gz USIMEIUTAORTBZ-DEOSSOPVSA-N 1 0 479.629 2.814 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286960124 1061731814 /nfs/dbraw/zinc/73/18/14/1061731814.db2.gz KIKQMNHEPFATKP-OAQYLSRUSA-N 1 0 487.612 2.734 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC1([NH+](C)C)CCOCC1 ZINC001286960476 1061732336 /nfs/dbraw/zinc/73/23/36/1061732336.db2.gz GADIHTLSIGDUAG-OAHLLOKOSA-N 1 0 464.412 2.753 20 30 JFEDRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 ZINC001294225933 1061737953 /nfs/dbraw/zinc/73/79/53/1061737953.db2.gz JPAZBWCCFDGHQV-HXUWFJFHSA-N 1 0 475.638 2.853 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001286968394 1061744244 /nfs/dbraw/zinc/74/42/44/1061744244.db2.gz LFNWOKWCTYLCOC-PMACEKPBSA-N 1 0 451.623 2.780 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294308623 1061797203 /nfs/dbraw/zinc/79/72/03/1061797203.db2.gz MHMZPJJGVMYHMW-QFIPXVFZSA-N 1 0 464.618 2.933 20 30 JFEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001294460530 1062008107 /nfs/dbraw/zinc/00/81/07/1062008107.db2.gz FRMCKPQRBFMRPP-MAVBTGMRSA-N 1 0 463.586 2.640 20 30 JFEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 ZINC001287046483 1062029091 /nfs/dbraw/zinc/02/90/91/1062029091.db2.gz RQFSESKLRZCPFI-JOCHJYFZSA-N 1 0 468.602 2.845 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294507846 1062045056 /nfs/dbraw/zinc/04/50/56/1062045056.db2.gz VQJMMSHBUQUKHB-OFVILXPXSA-N 1 0 492.672 2.537 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001294647750 1062183837 /nfs/dbraw/zinc/18/38/37/1062183837.db2.gz FPRJYYNIXISMDS-GGPKGHCWSA-N 1 0 458.632 2.806 20 30 JFEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001294698826 1062261555 /nfs/dbraw/zinc/26/15/55/1062261555.db2.gz ZNOWHSKBCITJOF-RXVVDRJESA-N 1 0 473.647 2.661 20 30 JFEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001294760287 1062350955 /nfs/dbraw/zinc/35/09/55/1062350955.db2.gz MUQVUDJJEJNFTJ-FQEVSTJZSA-N 1 0 486.642 2.617 20 30 JFEDRO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[N@H+]2CC=CCC2)c2ccccc2c1=O ZINC001294764547 1062353185 /nfs/dbraw/zinc/35/31/85/1062353185.db2.gz LYTCTSLOFWXKCP-LJQANCHMSA-N 1 0 460.586 2.923 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC001290577349 1062382188 /nfs/dbraw/zinc/38/21/88/1062382188.db2.gz NVNKMDKCYRRBQB-BGYRXZFFSA-N 1 0 497.692 2.606 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1C#N ZINC001290577855 1062383652 /nfs/dbraw/zinc/38/36/52/1062383652.db2.gz SZYUWYSULVPNKC-ROUUACIJSA-N 1 0 453.639 2.583 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC001290591854 1062411432 /nfs/dbraw/zinc/41/14/32/1062411432.db2.gz UROUYPMAPTZCOO-HYBUGGRVSA-N 1 0 476.629 2.883 20 30 JFEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001294822781 1062508914 /nfs/dbraw/zinc/50/89/14/1062508914.db2.gz RNRVJHWJUIZARN-UHFFFAOYSA-N 1 0 493.656 2.795 20 30 JFEDRO CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001294880162 1062593276 /nfs/dbraw/zinc/59/32/76/1062593276.db2.gz JLLHRXNAXMQEHY-UHFFFAOYSA-N 1 0 479.629 2.672 20 30 JFEDRO Cc1nnc(CCn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)[C@@H](C)CC#N)s1 ZINC001290693187 1062618235 /nfs/dbraw/zinc/61/82/35/1062618235.db2.gz ZRTRPUDTUCZYPU-IBGZPJMESA-N 1 0 479.658 2.784 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC001294939902 1062723473 /nfs/dbraw/zinc/72/34/73/1062723473.db2.gz HEDXGPHHYILEIV-PMACEKPBSA-N 1 0 454.575 2.811 20 30 JFEDRO CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001287280407 1062756279 /nfs/dbraw/zinc/75/62/79/1062756279.db2.gz PIFJHAORECLCGQ-XZOQPEGZSA-N 1 0 479.629 2.621 20 30 JFEDRO Cc1noc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001290958973 1062835660 /nfs/dbraw/zinc/83/56/60/1062835660.db2.gz USYFOKAHTFCORO-UHFFFAOYSA-N 1 0 464.574 2.974 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287472001 1062921937 /nfs/dbraw/zinc/92/19/37/1062921937.db2.gz RBKKSYHRSPYNRK-UHFFFAOYSA-N 1 0 478.689 2.948 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295165396 1062988769 /nfs/dbraw/zinc/98/87/69/1062988769.db2.gz QJRQTQYFJNUZJJ-RXVVDRJESA-N 1 0 456.616 2.562 20 30 JFEDRO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001287605140 1063000758 /nfs/dbraw/zinc/00/07/58/1063000758.db2.gz FNJZWRSAAMWTQE-AQNXPRMDSA-N 1 0 459.639 2.883 20 30 JFEDRO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291067784 1063014928 /nfs/dbraw/zinc/01/49/28/1063014928.db2.gz FIJDXGSDAQRMTR-RRQZXNHTSA-N 1 0 467.618 2.939 20 30 JFEDRO CC(C)CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC[N@H+](C)C(C)C)CCN2C1=O ZINC001287733895 1063057996 /nfs/dbraw/zinc/05/79/96/1063057996.db2.gz SVTRBEGVBCZCNP-JOCHJYFZSA-N 1 0 464.618 2.739 20 30 JFEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001287738549 1063061754 /nfs/dbraw/zinc/06/17/54/1063061754.db2.gz PCXTVWONPONEAJ-JOCHJYFZSA-N 1 0 499.685 2.656 20 30 JFEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001287741035 1063066804 /nfs/dbraw/zinc/06/68/04/1063066804.db2.gz YFXJBXISCPPAEU-FQEVSTJZSA-N 1 0 458.632 2.666 20 30 JFEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104922 1063085812 /nfs/dbraw/zinc/08/58/12/1063085812.db2.gz BURVAUZNZMLLHU-WOIUINJBSA-N 1 0 470.643 2.951 20 30 JFEDRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001287777318 1063099798 /nfs/dbraw/zinc/09/97/98/1063099798.db2.gz MREFYXIHFXRISC-UHFFFAOYSA-N 1 0 467.618 2.669 20 30 JFEDRO C[C@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001291129564 1063173557 /nfs/dbraw/zinc/17/35/57/1063173557.db2.gz QXZJYKYODQURBV-PZJWPPBQSA-N 1 0 465.602 2.552 20 30 JFEDRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181891 1063276823 /nfs/dbraw/zinc/27/68/23/1063276823.db2.gz WGORQEUKBSWJAM-IBGZPJMESA-N 1 0 473.647 2.518 20 30 JFEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001295347294 1063288713 /nfs/dbraw/zinc/28/87/13/1063288713.db2.gz HVDNUUWNIBOFOH-UHFFFAOYSA-N 1 0 464.618 2.885 20 30 JFEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C[C@H](C)O1 ZINC001291188342 1063302190 /nfs/dbraw/zinc/30/21/90/1063302190.db2.gz IMZZSPWLGYVBEB-RZUBCFFCSA-N 1 0 468.602 2.516 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295366272 1063330363 /nfs/dbraw/zinc/33/03/63/1063330363.db2.gz RNWXUQBWSGPOFQ-YADHBBJMSA-N 1 0 492.672 2.680 20 30 JFEDRO C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001291195102 1063332514 /nfs/dbraw/zinc/33/25/14/1063332514.db2.gz KIALPWIJTBEBRO-PKOBYXMFSA-N 1 0 463.590 2.848 20 30 JFEDRO C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001291195099 1063332562 /nfs/dbraw/zinc/33/25/62/1063332562.db2.gz KIALPWIJTBEBRO-HKUYNNGSSA-N 1 0 463.590 2.848 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001295372333 1063338837 /nfs/dbraw/zinc/33/88/37/1063338837.db2.gz DCUHKWGKLVJESG-FQEVSTJZSA-N 1 0 459.602 2.659 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001295386633 1063362922 /nfs/dbraw/zinc/36/29/22/1063362922.db2.gz VGMFIYCZJXKCAK-AUSIDOKSSA-N 1 0 478.601 2.770 20 30 JFEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)c1ccco1 ZINC001295400222 1063386981 /nfs/dbraw/zinc/38/69/81/1063386981.db2.gz ZSBOZJODVKIMII-QFIPXVFZSA-N 1 0 491.596 2.788 20 30 JFEDRO C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC001291223186 1063462756 /nfs/dbraw/zinc/46/27/56/1063462756.db2.gz BIXUOLABCPTTEE-PMACEKPBSA-N 1 0 451.619 2.704 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1 ZINC001295482404 1063501211 /nfs/dbraw/zinc/50/12/11/1063501211.db2.gz NASDBKSNUWVMAN-UHFFFAOYSA-N 1 0 479.629 2.624 20 30 JFEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 ZINC001295512436 1063547408 /nfs/dbraw/zinc/54/74/08/1063547408.db2.gz UPVTWZKUHABMRU-QFIPXVFZSA-N 1 0 451.619 2.707 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001295527305 1063565466 /nfs/dbraw/zinc/56/54/66/1063565466.db2.gz HBLNYZWWMBNIQV-OFNKIYASSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001295541219 1063575574 /nfs/dbraw/zinc/57/55/74/1063575574.db2.gz HKCTVNRAKVUFCU-FQEVSTJZSA-N 1 0 455.582 2.851 20 30 JFEDRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001295651218 1063694640 /nfs/dbraw/zinc/69/46/40/1063694640.db2.gz GIYIGDJLOFSYAH-HSZRJFAPSA-N 1 0 462.602 2.934 20 30 JFEDRO C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001291314795 1063747095 /nfs/dbraw/zinc/74/70/95/1063747095.db2.gz JSDXLZGPOHNHQT-AZUAARDMSA-N 1 0 456.616 2.517 20 30 JFEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001291337881 1063806124 /nfs/dbraw/zinc/80/61/24/1063806124.db2.gz IQZGROZEKUJHEA-JOCHJYFZSA-N 1 0 479.629 2.547 20 30 JFEDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[NH+]2CCN(CC)CC2)C1 ZINC001291338175 1063807564 /nfs/dbraw/zinc/80/75/64/1063807564.db2.gz OBNVWRLEYCJHIO-DEOSSOPVSA-N 1 0 492.672 2.729 20 30 JFEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[NH+]2CCN(CC)CC2)C1 ZINC001291338176 1063808076 /nfs/dbraw/zinc/80/80/76/1063808076.db2.gz OBNVWRLEYCJHIO-XMMPIXPASA-N 1 0 492.672 2.729 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CC1 ZINC001295827535 1063838188 /nfs/dbraw/zinc/83/81/88/1063838188.db2.gz PLQCHHILFXKKBQ-NRFANRHFSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C1CC1 ZINC001295833951 1063849354 /nfs/dbraw/zinc/84/93/54/1063849354.db2.gz KRPJTQMTDBPITP-UHFFFAOYSA-N 1 0 464.618 2.931 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295834168 1063849744 /nfs/dbraw/zinc/84/97/44/1063849744.db2.gz RDITUVABOMARJO-BWKNWUBXSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295834356 1063850805 /nfs/dbraw/zinc/85/08/05/1063850805.db2.gz RDITUVABOMARJO-SQJMNOBHSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295834971 1063851235 /nfs/dbraw/zinc/85/12/35/1063851235.db2.gz YSWRIIFGMIKJKQ-OAQYLSRUSA-N 1 0 463.508 2.793 20 30 JFEDRO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C1CC1 ZINC001295856443 1063886815 /nfs/dbraw/zinc/88/68/15/1063886815.db2.gz LPUDMLRZTXLJNI-UHFFFAOYSA-N 1 0 453.639 2.591 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC001295865101 1063896075 /nfs/dbraw/zinc/89/60/75/1063896075.db2.gz BIZUUDDKOZATGY-NBGIEHNGSA-N 1 0 468.602 2.843 20 30 JFEDRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1)CCC(F)(F)F ZINC001295865364 1063897127 /nfs/dbraw/zinc/89/71/27/1063897127.db2.gz BZXAQFKSUKJLSD-FQEVSTJZSA-N 1 0 455.529 2.805 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C#N)CC2)C1 ZINC001296048575 1064107822 /nfs/dbraw/zinc/10/78/22/1064107822.db2.gz XFKDIVRGHQVJNY-WOJBJXKFSA-N 1 0 473.622 2.668 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C#N)CC2)C1 ZINC001296048568 1064107880 /nfs/dbraw/zinc/10/78/80/1064107880.db2.gz XFKDIVRGHQVJNY-UXHICEINSA-N 1 0 473.622 2.668 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296056488 1064117497 /nfs/dbraw/zinc/11/74/97/1064117497.db2.gz LPFCKQVTHLMQQD-JOCHJYFZSA-N 1 0 465.602 2.523 20 30 JFEDRO CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CC)CC1)S(C)(=O)=O ZINC001296060127 1064124313 /nfs/dbraw/zinc/12/43/13/1064124313.db2.gz NEAJJAOBYXXQRB-JOCHJYFZSA-N 1 0 485.658 2.551 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(CCC#N)CCOC ZINC001296083934 1064151291 /nfs/dbraw/zinc/15/12/91/1064151291.db2.gz JTCXCNXRSPGYOF-GOSISDBHSA-N 1 0 464.574 2.835 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291622246 1064162884 /nfs/dbraw/zinc/16/28/84/1064162884.db2.gz XONRPGFRKYAZFF-MBSDFSHPSA-N 1 0 454.648 2.822 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001291644467 1064198309 /nfs/dbraw/zinc/19/83/09/1064198309.db2.gz XUFLNSQWGLULNC-ZBKJMMEJSA-N 1 0 457.623 2.876 20 30 JFEDRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)[NH+](C)C)CC2)CC1 ZINC001296118968 1064202721 /nfs/dbraw/zinc/20/27/21/1064202721.db2.gz MLQZHHRAWZZJCC-NRFANRHFSA-N 1 0 492.672 2.537 20 30 JFEDRO CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)CC1=O ZINC001296119504 1064205238 /nfs/dbraw/zinc/20/52/38/1064205238.db2.gz FGVZYJUBBCMNOF-UHFFFAOYSA-N 1 0 465.602 2.663 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001296123859 1064216135 /nfs/dbraw/zinc/21/61/35/1064216135.db2.gz CZEGNHVIMMBMOZ-FGZHOGPDSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296127645 1064222037 /nfs/dbraw/zinc/22/20/37/1064222037.db2.gz WICJTGYHJCIBGG-UXHICEINSA-N 1 0 451.619 2.846 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001296135487 1064240079 /nfs/dbraw/zinc/24/00/79/1064240079.db2.gz ZGLGXLOAMNCRBN-NHCUHLMSSA-N 1 0 451.619 2.991 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001291759925 1064240814 /nfs/dbraw/zinc/24/08/14/1064240814.db2.gz IOGQLUMXXIEEPN-WATLYSKOSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001296141697 1064247630 /nfs/dbraw/zinc/24/76/30/1064247630.db2.gz FYLXVCRBZRLHJC-BTMXNRKFSA-N 1 0 497.575 2.614 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001291767141 1064248982 /nfs/dbraw/zinc/24/89/82/1064248982.db2.gz JLMYAKBMPIGOFZ-IBGZPJMESA-N 1 0 486.628 2.787 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001291774657 1064262977 /nfs/dbraw/zinc/26/29/77/1064262977.db2.gz PYATZSOQIBPSQY-PZJWPPBQSA-N 1 0 452.607 2.843 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 ZINC001291783466 1064277003 /nfs/dbraw/zinc/27/70/03/1064277003.db2.gz MHVZXVZZBXQHFN-IBGZPJMESA-N 1 0 453.591 2.518 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291785417 1064281132 /nfs/dbraw/zinc/28/11/32/1064281132.db2.gz VNXZRXIIVSXHAI-SIKLNZKXSA-N 1 0 488.658 2.863 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296190358 1064337809 /nfs/dbraw/zinc/33/78/09/1064337809.db2.gz CKGJMPCCHVMDBF-KOSHJBKYSA-N 1 0 475.563 2.863 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001296193111 1064348098 /nfs/dbraw/zinc/34/80/98/1064348098.db2.gz HNHNYSXQMRXEIQ-MOPGFXCFSA-N 1 0 453.591 2.686 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296194985 1064358861 /nfs/dbraw/zinc/35/88/61/1064358861.db2.gz UIQFEINEJLHAAK-NRFANRHFSA-N 1 0 450.635 2.668 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296196667 1064369533 /nfs/dbraw/zinc/36/95/33/1064369533.db2.gz RIGZLSPRNYSVHY-OAQYLSRUSA-N 1 0 451.619 2.850 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296205933 1064392769 /nfs/dbraw/zinc/39/27/69/1064392769.db2.gz GTZCBHQMLUGGPP-FQEVSTJZSA-N 1 0 451.619 2.848 20 30 JFEDRO CC[NH+]1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296213031 1064406608 /nfs/dbraw/zinc/40/66/08/1064406608.db2.gz FHUWVYDEAIRKNG-OAQYLSRUSA-N 1 0 469.659 2.635 20 30 JFEDRO CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2c1=O ZINC001296214284 1064411805 /nfs/dbraw/zinc/41/18/05/1064411805.db2.gz KNBQXSHFOUTVFL-SLFFLAALSA-N 1 0 492.628 2.770 20 30 JFEDRO CCn1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+](C)CCCOC)c2ccccc2c1=O ZINC001296216497 1064423594 /nfs/dbraw/zinc/42/35/94/1064423594.db2.gz NKPRQAPQDXGGAK-UHFFFAOYSA-N 1 0 492.628 2.773 20 30 JFEDRO CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](CCOC(C)C)CC2)CCC1 ZINC001296261188 1064527318 /nfs/dbraw/zinc/52/73/18/1064527318.db2.gz WMNFVCOWBWVHLO-UHFFFAOYSA-N 1 0 479.629 2.670 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001296306863 1064586409 /nfs/dbraw/zinc/58/64/09/1064586409.db2.gz RKSLIBMGUXQZIM-UHFFFAOYSA-N 1 0 464.618 2.933 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292036095 1064699295 /nfs/dbraw/zinc/69/92/95/1064699295.db2.gz PDUFWKCXIJTGDG-FQEVSTJZSA-N 1 0 459.639 2.683 20 30 JFEDRO CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292195246 1064987016 /nfs/dbraw/zinc/98/70/16/1064987016.db2.gz HLZDIQJKVROYFC-FYYLOGMGSA-N 1 0 499.685 2.799 20 30 JFEDRO CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001292251983 1065033787 /nfs/dbraw/zinc/03/37/87/1065033787.db2.gz LEEJJHAHNPSROR-OAQYLSRUSA-N 1 0 465.602 2.566 20 30 JFEDRO CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC001292460601 1065189125 /nfs/dbraw/zinc/18/91/25/1065189125.db2.gz JEQGASMYHXUUGO-MLCQCVOFSA-N 1 0 468.602 2.596 20 30 JFEDRO COc1cc[nH+]c(N2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)CC2)c1 ZINC001293112624 1065758731 /nfs/dbraw/zinc/75/87/31/1065758731.db2.gz ZIBHMFXPJLFHIX-UHFFFAOYSA-N 1 0 456.344 2.509 20 30 JFEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001293742096 1066207189 /nfs/dbraw/zinc/20/71/89/1066207189.db2.gz ITFZABRUVQZGGW-GOTSBHOMSA-N 1 0 479.629 2.549 20 30 JFEDRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001293766854 1066256873 /nfs/dbraw/zinc/25/68/73/1066256873.db2.gz YUDDFIAGQPZTPI-UHFFFAOYSA-N 1 0 467.643 2.751 20 30 JFEDRO CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294069903 1066540389 /nfs/dbraw/zinc/54/03/89/1066540389.db2.gz ZQTDIJWHQILJRB-RCZVLFRGSA-N 1 0 468.602 2.559 20 30 JFEDRO COC(=O)c1cc(C#N)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682160 719681769 /nfs/dbraw/zinc/68/17/69/719681769.db2.gz BUDNHASKHSYJFI-HXUWFJFHSA-N 1 0 475.593 2.833 20 30 JFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742108 720819292 /nfs/dbraw/zinc/81/92/92/720819292.db2.gz PWGLSMMMTAJYHT-YQQAZPJKSA-N 1 0 463.011 2.631 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164739181 720820853 /nfs/dbraw/zinc/82/08/53/720820853.db2.gz HNAVQNUWPRVYMV-WSTZPKSXSA-N 1 0 469.977 2.754 20 30 JFEDRO N#Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164750335 720857884 /nfs/dbraw/zinc/85/78/84/720857884.db2.gz PMFLBXVTDTUGJJ-KKLQWCBXSA-N 1 0 458.526 2.986 20 30 JFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001164752347 720945594 /nfs/dbraw/zinc/94/55/94/720945594.db2.gz XTRTWRBZHDBONI-UHFFFAOYSA-N 1 0 459.284 2.647 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867202 721111188 /nfs/dbraw/zinc/11/11/88/721111188.db2.gz WVEYTJKMYFBECH-FCHUYYIVSA-N 1 0 464.642 2.972 20 30 JFEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164896599 721426217 /nfs/dbraw/zinc/42/62/17/721426217.db2.gz ROWMQGUQNKXPCU-CPJSRVTESA-N 1 0 454.619 2.703 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909903 721561297 /nfs/dbraw/zinc/56/12/97/721561297.db2.gz VEDDSMFRHCMXLB-DFQSSKMNSA-N 1 0 453.518 2.906 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909910 721561328 /nfs/dbraw/zinc/56/13/28/721561328.db2.gz VEDDSMFRHCMXLB-YZGWKJHDSA-N 1 0 453.518 2.906 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983114 722108736 /nfs/dbraw/zinc/10/87/36/722108736.db2.gz YHLQBJBPKUKGBR-XLIONFOSSA-N 1 0 455.946 2.906 20 30 JFEDRO C[NH+]1CCN(C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2ccccc2)CC1 ZINC001264934299 1059732142 /nfs/dbraw/zinc/73/21/42/1059732142.db2.gz GDIHKHSNEYBGPY-OAQYLSRUSA-N 1 0 457.372 2.804 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001286276920 1060034344 /nfs/dbraw/zinc/03/43/44/1060034344.db2.gz UXSDFAMQTYUARS-IPMKNSEASA-N 1 0 487.674 2.504 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286302201 1060054282 /nfs/dbraw/zinc/05/42/82/1060054282.db2.gz RMZXGQVLYJMMLN-NQIIRXRSSA-N 1 0 473.021 2.911 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCN(C)CC(F)(F)F ZINC001286303827 1060056056 /nfs/dbraw/zinc/05/60/56/1060056056.db2.gz SSIYVZLTWFRKHX-FQEVSTJZSA-N 1 0 477.579 2.595 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286304445 1060056652 /nfs/dbraw/zinc/05/66/52/1060056652.db2.gz WOKCNTLPDPIYDA-JOCHJYFZSA-N 1 0 460.630 2.810 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001286308137 1060060798 /nfs/dbraw/zinc/06/07/98/1060060798.db2.gz FXAVXTUKICBDOZ-NRFANRHFSA-N 1 0 479.629 2.593 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)C[NH+]2CCCC2)c1 ZINC001286310832 1060068579 /nfs/dbraw/zinc/06/85/79/1060068579.db2.gz GPTJHGKMFIDMMC-FPOVZHCZSA-N 1 0 450.587 2.570 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001286311650 1060070825 /nfs/dbraw/zinc/07/08/25/1060070825.db2.gz LOLZLIRDJIOWLB-OAQYLSRUSA-N 1 0 452.603 2.991 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCC[N@H+]2CC)c1 ZINC001286311657 1060071394 /nfs/dbraw/zinc/07/13/94/1060071394.db2.gz LUAQJYMCKSZDKN-PWWKTKHKSA-N 1 0 494.640 2.933 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001286312018 1060072372 /nfs/dbraw/zinc/07/23/72/1060072372.db2.gz PVDBIVFQXAUWMX-ZRCGQRJVSA-N 1 0 480.613 2.685 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001286312350 1060073159 /nfs/dbraw/zinc/07/31/59/1060073159.db2.gz WWQLVIJHEBEGMW-BJKOFHAPSA-N 1 0 494.640 2.933 20 30 JFEDRO C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286337357 1060091533 /nfs/dbraw/zinc/09/15/33/1060091533.db2.gz FMKOFVSDNAFVDZ-UHFFFAOYSA-N 1 0 485.430 2.865 20 30 JFEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC[NH+]1CCC(O)CC1 ZINC001286365385 1060128994 /nfs/dbraw/zinc/12/89/94/1060128994.db2.gz AXBFDJJSJWMHRH-UHFFFAOYSA-N 1 0 462.392 2.632 20 30 JFEDRO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001286365817 1060129951 /nfs/dbraw/zinc/12/99/51/1060129951.db2.gz KCUCJOGQHHWTGW-UHFFFAOYSA-N 1 0 475.435 2.812 20 30 JFEDRO C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286375930 1060137281 /nfs/dbraw/zinc/13/72/81/1060137281.db2.gz AMFCEOXRFJGCED-IBGZPJMESA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C(C)C)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286380756 1060149317 /nfs/dbraw/zinc/14/93/17/1060149317.db2.gz DCIXGFUVVVIIEP-JTHBVZDNSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382031 1060153182 /nfs/dbraw/zinc/15/31/82/1060153182.db2.gz IRPDZHLJTZXOMM-ONTIZHBOSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286382381 1060153965 /nfs/dbraw/zinc/15/39/65/1060153965.db2.gz IZDDZPHMLICOLB-IRLDBZIGSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(C)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286385334 1060175333 /nfs/dbraw/zinc/17/53/33/1060175333.db2.gz WOTOYBSATBIDCL-PKTZIBPZSA-N 1 0 455.628 2.516 20 30 JFEDRO C#CCN(c1nnc(C)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286385333 1060175349 /nfs/dbraw/zinc/17/53/49/1060175349.db2.gz WOTOYBSATBIDCL-GOTSBHOMSA-N 1 0 455.628 2.516 20 30 JFEDRO C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@H](C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286385808 1060180009 /nfs/dbraw/zinc/18/00/09/1060180009.db2.gz ZQXBHIFWRZCYRS-JENIJYKNSA-N 1 0 475.684 2.708 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2Cl)n1CC1([NH+](C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286386804 1060192371 /nfs/dbraw/zinc/19/23/71/1060192371.db2.gz HULFNCAUKRVQKM-KRWDZBQOSA-N 1 0 462.019 2.710 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387680 1060203306 /nfs/dbraw/zinc/20/33/06/1060203306.db2.gz UBVGNGAGAIQQHF-PMACEKPBSA-N 1 0 473.643 2.557 20 30 JFEDRO C#CCN(c1nnc(-c2cccn2C)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387736 1060203836 /nfs/dbraw/zinc/20/38/36/1060203836.db2.gz USVLHLXNNRTAIR-YPAWHYETSA-N 1 0 486.686 2.668 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286389225 1060219137 /nfs/dbraw/zinc/21/91/37/1060219137.db2.gz ZMMZJXQOSORLOH-FGZHOGPDSA-N 1 0 455.628 2.619 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286389610 1060221227 /nfs/dbraw/zinc/22/12/27/1060221227.db2.gz NGSLYHTWXPATOR-NRFANRHFSA-N 1 0 470.643 2.541 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286389657 1060221852 /nfs/dbraw/zinc/22/18/52/1060221852.db2.gz OFASXRCEJPZCCU-FGZHOGPDSA-N 1 0 484.670 2.930 20 30 JFEDRO C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC[N@@H+](CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286390093 1060222807 /nfs/dbraw/zinc/22/28/07/1060222807.db2.gz WSOFWGGKGXRQAC-LJQANCHMSA-N 1 0 468.627 2.783 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286390710 1060227598 /nfs/dbraw/zinc/22/75/98/1060227598.db2.gz BDWBDCUGGQNFTI-VSKRKVRLSA-N 1 0 477.675 2.657 20 30 JFEDRO C#CCN(c1nnc(CCc2ccccc2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286391216 1060230455 /nfs/dbraw/zinc/23/04/55/1060230455.db2.gz GZBUJVUXDZOMEZ-LADGPHEKSA-N 1 0 483.682 2.955 20 30 JFEDRO C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286391981 1060235661 /nfs/dbraw/zinc/23/56/61/1060235661.db2.gz KLIAMZXHKAGKGJ-ZEQRLZLVSA-N 1 0 483.682 2.955 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286394252 1060249601 /nfs/dbraw/zinc/24/96/01/1060249601.db2.gz HYCULINDOBEWTG-GOTSBHOMSA-N 1 0 499.681 2.913 20 30 JFEDRO C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@H+]1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286395002 1060252500 /nfs/dbraw/zinc/25/25/00/1060252500.db2.gz YNVAUJVGVGAFGH-PKTZIBPZSA-N 1 0 484.670 2.545 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286395233 1060256176 /nfs/dbraw/zinc/25/61/76/1060256176.db2.gz RSIZBYUNBRQHKZ-DHIUTWEWSA-N 1 0 469.655 2.678 20 30 JFEDRO C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286395296 1060256759 /nfs/dbraw/zinc/25/67/59/1060256759.db2.gz ZJSZELAUQOJMTF-PKTZIBPZSA-N 1 0 496.681 2.884 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286395958 1060260696 /nfs/dbraw/zinc/26/06/96/1060260696.db2.gz SZFWXCUWJKYMKG-VXKWHMMOSA-N 1 0 477.675 2.803 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286401365 1060283103 /nfs/dbraw/zinc/28/31/03/1060283103.db2.gz LHWACVYYNCXVDN-IBGZPJMESA-N 1 0 469.431 2.806 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286401360 1060283180 /nfs/dbraw/zinc/28/31/80/1060283180.db2.gz LDZPLUZLEIEYBD-GOSISDBHSA-N 1 0 486.414 2.636 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286401741 1060283706 /nfs/dbraw/zinc/28/37/06/1060283706.db2.gz RAGMGANPCXMZMW-OAQYLSRUSA-N 1 0 497.441 2.723 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001286402338 1060284881 /nfs/dbraw/zinc/28/48/81/1060284881.db2.gz WFZDDMDJCMDPSY-HXUWFJFHSA-N 1 0 453.612 2.686 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001286408720 1060293015 /nfs/dbraw/zinc/29/30/15/1060293015.db2.gz KLZZWOQWYJROLJ-SFTDATJTSA-N 1 0 471.609 2.633 20 30 JFEDRO C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286413945 1060299774 /nfs/dbraw/zinc/29/97/74/1060299774.db2.gz PZTGRFMHKDVUPI-JOCHJYFZSA-N 1 0 460.630 2.645 20 30 JFEDRO C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001286414233 1060300021 /nfs/dbraw/zinc/30/00/21/1060300021.db2.gz TYKWNNABECMHTH-JOCHJYFZSA-N 1 0 474.638 2.889 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001286424636 1060312442 /nfs/dbraw/zinc/31/24/42/1060312442.db2.gz FFMZTARPQMHSQY-JOCHJYFZSA-N 1 0 465.598 2.782 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001286425118 1060313402 /nfs/dbraw/zinc/31/34/02/1060313402.db2.gz UTLXNSKQCAIQJF-SFTDATJTSA-N 1 0 465.598 2.925 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001286425024 1060313587 /nfs/dbraw/zinc/31/35/87/1060313587.db2.gz UTLXNSKQCAIQJF-NHCUHLMSSA-N 1 0 465.598 2.925 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001286425397 1060313949 /nfs/dbraw/zinc/31/39/49/1060313949.db2.gz YQMYKGOUDGRFDR-QFIPXVFZSA-N 1 0 471.594 2.748 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001286425943 1060315027 /nfs/dbraw/zinc/31/50/27/1060315027.db2.gz DKNNRKDQUBASSV-DHIUTWEWSA-N 1 0 460.582 2.538 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001286428663 1060319188 /nfs/dbraw/zinc/31/91/88/1060319188.db2.gz FCUYINZZAUOCEV-OAQYLSRUSA-N 1 0 454.619 2.951 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286430231 1060320453 /nfs/dbraw/zinc/32/04/53/1060320453.db2.gz GCECXNFFEVQOSD-URXFXBBRSA-N 1 0 451.596 2.691 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001286431910 1060322476 /nfs/dbraw/zinc/32/24/76/1060322476.db2.gz SPDWFAUTADONDY-XMMPIXPASA-N 1 0 479.650 2.677 20 30 JFEDRO C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286449067 1060334233 /nfs/dbraw/zinc/33/42/33/1060334233.db2.gz JGQIQQNYPZKGSX-QHCPKHFHSA-N 1 0 461.614 2.752 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286456372 1060338174 /nfs/dbraw/zinc/33/81/74/1060338174.db2.gz PXOBZJZWIMBMIV-QHCPKHFHSA-N 1 0 451.575 2.951 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001286458551 1060341129 /nfs/dbraw/zinc/34/11/29/1060341129.db2.gz XLMOTXOORZGBGU-IRLDBZIGSA-N 1 0 475.634 2.935 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([NH+](C)C)CCOCC1 ZINC001286461741 1060347000 /nfs/dbraw/zinc/34/70/00/1060347000.db2.gz WLKYIJVCHDKQLO-GMAHTHKFSA-N 1 0 485.604 2.892 20 30 JFEDRO C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286472262 1060368760 /nfs/dbraw/zinc/36/87/60/1060368760.db2.gz RMHZKEUBUSIODY-NRFANRHFSA-N 1 0 487.048 2.939 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286474098 1060380098 /nfs/dbraw/zinc/38/00/98/1060380098.db2.gz AFXGGNDZOFQKER-UHFFFAOYSA-N 1 0 472.037 2.638 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001286474332 1060382632 /nfs/dbraw/zinc/38/26/32/1060382632.db2.gz DAJXNGHJFPGGMS-QFIPXVFZSA-N 1 0 464.658 2.966 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286484034 1060413124 /nfs/dbraw/zinc/41/31/24/1060413124.db2.gz CVYVDUWVWJLSEO-QFIPXVFZSA-N 1 0 461.614 2.748 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286484031 1060413177 /nfs/dbraw/zinc/41/31/77/1060413177.db2.gz CVYVDUWVWJLSEO-JOCHJYFZSA-N 1 0 461.614 2.748 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286484181 1060414182 /nfs/dbraw/zinc/41/41/82/1060414182.db2.gz JSKJEMWFBOVNSK-QFIPXVFZSA-N 1 0 454.594 2.872 20 30 JFEDRO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286485141 1060423211 /nfs/dbraw/zinc/42/32/11/1060423211.db2.gz WBORMBIWWXFPPH-JOCHJYFZSA-N 1 0 452.651 2.550 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001286485647 1060427374 /nfs/dbraw/zinc/42/73/74/1060427374.db2.gz SKMBDWAHARPDQE-YADHBBJMSA-N 1 0 485.677 2.980 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC001286485877 1060430496 /nfs/dbraw/zinc/43/04/96/1060430496.db2.gz BKGFNYQYPKEUGA-UHFFFAOYSA-N 1 0 492.668 2.546 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001286486427 1060435555 /nfs/dbraw/zinc/43/55/55/1060435555.db2.gz FEXSJAVLEORWLA-UHFFFAOYSA-N 1 0 464.614 2.651 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001286488003 1060448471 /nfs/dbraw/zinc/44/84/71/1060448471.db2.gz JUQBYJAZMGBKIR-RUZDIDTESA-N 1 0 492.668 2.633 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286490233 1060473184 /nfs/dbraw/zinc/47/31/84/1060473184.db2.gz OELSOOIEDJKZSU-HXUWFJFHSA-N 1 0 459.598 2.760 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001286491566 1060487379 /nfs/dbraw/zinc/48/73/79/1060487379.db2.gz XYJMEQLDFOGTRZ-HXUWFJFHSA-N 1 0 466.605 2.706 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001286493711 1060503584 /nfs/dbraw/zinc/50/35/84/1060503584.db2.gz PGASRDOGQKSIOH-QHCPKHFHSA-N 1 0 464.614 2.618 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001286493739 1060503752 /nfs/dbraw/zinc/50/37/52/1060503752.db2.gz IJWQOPNNLZWSIF-UHFFFAOYSA-N 1 0 471.675 2.718 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001286494827 1060509036 /nfs/dbraw/zinc/50/90/36/1060509036.db2.gz SWQWTCKHIGTJLO-UHFFFAOYSA-N 1 0 462.642 2.905 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286494835 1060509058 /nfs/dbraw/zinc/50/90/58/1060509058.db2.gz TXZOHMRWJXRPQV-JOCHJYFZSA-N 1 0 478.641 2.597 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286495094 1060509516 /nfs/dbraw/zinc/50/95/16/1060509516.db2.gz WUTHLQOEZAOSJF-OAQYLSRUSA-N 1 0 497.713 2.968 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286495168 1060510703 /nfs/dbraw/zinc/51/07/03/1060510703.db2.gz XWVJVEIGUFPULX-FYYLOGMGSA-N 1 0 470.662 2.854 20 30 JFEDRO C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286503340 1060527562 /nfs/dbraw/zinc/52/75/62/1060527562.db2.gz DKSJGSFBOCDJDG-HXUWFJFHSA-N 1 0 473.046 2.708 20 30 JFEDRO C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286504789 1060530191 /nfs/dbraw/zinc/53/01/91/1060530191.db2.gz UGHCDMBXWNAEOI-NFBKMPQASA-N 1 0 496.681 2.699 20 30 JFEDRO C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001286505129 1060532023 /nfs/dbraw/zinc/53/20/23/1060532023.db2.gz VOKJTESNCHDDOR-LEWJYISDSA-N 1 0 452.628 2.696 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286519817 1060555373 /nfs/dbraw/zinc/55/53/73/1060555373.db2.gz LZFLFAIZPLJOKR-HFZDXXHNSA-N 1 0 464.614 2.889 20 30 JFEDRO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001286537843 1060579298 /nfs/dbraw/zinc/57/92/98/1060579298.db2.gz JBQUOFMQYXGZEX-GOSISDBHSA-N 1 0 459.392 2.850 20 30 JFEDRO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286537604 1060579400 /nfs/dbraw/zinc/57/94/00/1060579400.db2.gz GZIHBBKQFHKTJY-BDVYOWHSSA-N 1 0 451.413 2.839 20 30 JFEDRO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001286537845 1060579759 /nfs/dbraw/zinc/57/97/59/1060579759.db2.gz JBQUOFMQYXGZEX-SFHVURJKSA-N 1 0 459.392 2.850 20 30 JFEDRO C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001286544417 1060590922 /nfs/dbraw/zinc/59/09/22/1060590922.db2.gz VSDYGOWEPIGNOA-SFHVURJKSA-N 1 0 464.408 2.965 20 30 JFEDRO C=C(Br)Cn1c(COCC)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001286547853 1060598569 /nfs/dbraw/zinc/59/85/69/1060598569.db2.gz QXTZSNYPVUYHTM-UHFFFAOYSA-N 1 0 455.445 2.718 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286548001 1060600122 /nfs/dbraw/zinc/60/01/22/1060600122.db2.gz QYRZOYJZMRGCKU-RLBLXZPPSA-N 1 0 498.676 2.650 20 30 JFEDRO C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001286566831 1060655676 /nfs/dbraw/zinc/65/56/76/1060655676.db2.gz JTQNETHHYKZDFT-MOPGFXCFSA-N 1 0 460.648 2.738 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001286604151 1060707644 /nfs/dbraw/zinc/70/76/44/1060707644.db2.gz GMOWKRSACLPOCQ-VQTJNVASSA-N 1 0 490.674 2.707 20 30 JFEDRO C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286605139 1060711654 /nfs/dbraw/zinc/71/16/54/1060711654.db2.gz HLBJSBCTEDGXEC-OAQYLSRUSA-N 1 0 454.619 2.763 20 30 JFEDRO C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286606992 1060716200 /nfs/dbraw/zinc/71/62/00/1060716200.db2.gz ILDDQKJRQJJOFP-UHFFFAOYSA-N 1 0 458.570 2.912 20 30 JFEDRO C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286607508 1060717351 /nfs/dbraw/zinc/71/73/51/1060717351.db2.gz QNKNZCOGJDLPJJ-RTBURBONSA-N 1 0 475.663 2.750 20 30 JFEDRO C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286609578 1060720173 /nfs/dbraw/zinc/72/01/73/1060720173.db2.gz MUXMZTFMTRAFSF-JOCHJYFZSA-N 1 0 487.048 2.858 20 30 JFEDRO C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286612219 1060723201 /nfs/dbraw/zinc/72/32/01/1060723201.db2.gz WULUXGBUPSYSBA-QFIPXVFZSA-N 1 0 473.691 2.831 20 30 JFEDRO C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001286708945 1060825629 /nfs/dbraw/zinc/82/56/29/1060825629.db2.gz JKCXICWNDJSNRU-UHFFFAOYSA-N 1 0 453.635 2.928 20 30 JFEDRO C=CCCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001286711637 1060832013 /nfs/dbraw/zinc/83/20/13/1060832013.db2.gz NUUNESZRZWZYRW-FQEVSTJZSA-N 1 0 478.638 2.710 20 30 JFEDRO C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001286713162 1060837257 /nfs/dbraw/zinc/83/72/57/1060837257.db2.gz CFARCTJESOVDIR-LZLYRXPVSA-N 1 0 452.650 2.655 20 30 JFEDRO C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286716256 1060841272 /nfs/dbraw/zinc/84/12/72/1060841272.db2.gz CEDUTPASJMNALN-SFHVURJKSA-N 1 0 475.663 2.670 20 30 JFEDRO C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286731361 1060850289 /nfs/dbraw/zinc/85/02/89/1060850289.db2.gz JKJNRQQDVNOPNA-GIWBLDEGSA-N 1 0 454.619 2.835 20 30 JFEDRO C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286739123 1060857318 /nfs/dbraw/zinc/85/73/18/1060857318.db2.gz PQCDOHSBFIGSAL-UHFFFAOYSA-N 1 0 496.656 2.951 20 30 JFEDRO C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001286745417 1060869386 /nfs/dbraw/zinc/86/93/86/1060869386.db2.gz VUDTYNLKDHQGGT-DQEYMECFSA-N 1 0 473.593 2.717 20 30 JFEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286746342 1060871773 /nfs/dbraw/zinc/87/17/73/1060871773.db2.gz VYWFPKIJTJPZMQ-GMAHTHKFSA-N 1 0 487.670 2.874 20 30 JFEDRO C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286757234 1060883738 /nfs/dbraw/zinc/88/37/38/1060883738.db2.gz JGKSSSUQMKZMEK-JOCHJYFZSA-N 1 0 451.619 2.936 20 30 JFEDRO C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001286757766 1060885419 /nfs/dbraw/zinc/88/54/19/1060885419.db2.gz VONBDNUACGXFFQ-DEOSSOPVSA-N 1 0 460.623 2.638 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286764610 1060890151 /nfs/dbraw/zinc/89/01/51/1060890151.db2.gz UQYTVZGJEIBBFD-UHFFFAOYSA-N 1 0 450.591 2.589 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001286765252 1060891818 /nfs/dbraw/zinc/89/18/18/1060891818.db2.gz AWRQIDMSLBASJP-UXHICEINSA-N 1 0 461.632 2.740 20 30 JFEDRO C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001286765953 1060893496 /nfs/dbraw/zinc/89/34/96/1060893496.db2.gz LGHYMGYOYAUZHQ-OAQYLSRUSA-N 1 0 464.408 2.721 20 30 JFEDRO C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286788837 1060947155 /nfs/dbraw/zinc/94/71/55/1060947155.db2.gz HOOQATPBXQEDCF-BGYRXZFFSA-N 1 0 484.620 2.636 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286791382 1060956256 /nfs/dbraw/zinc/95/62/56/1060956256.db2.gz SFZBLCDKOFTCFY-NRFANRHFSA-N 1 0 468.602 2.651 20 30 JFEDRO C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286796876 1060975172 /nfs/dbraw/zinc/97/51/72/1060975172.db2.gz YAVKHCJNCACSNX-IBGZPJMESA-N 1 0 490.674 2.812 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001286798347 1060978443 /nfs/dbraw/zinc/97/84/43/1060978443.db2.gz JSBIIURZTYDWGH-WOJBJXKFSA-N 1 0 453.591 2.971 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001286803151 1060988625 /nfs/dbraw/zinc/98/86/25/1060988625.db2.gz DEMFLPHBQOMALS-NRFANRHFSA-N 1 0 484.645 2.770 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001286802908 1060988985 /nfs/dbraw/zinc/98/89/85/1060988985.db2.gz XATZARCYDXDHCN-UYAOXDASSA-N 1 0 459.616 2.614 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001286810629 1061002019 /nfs/dbraw/zinc/00/20/19/1061002019.db2.gz UDVDPOGEKSNBHZ-FPOVZHCZSA-N 1 0 465.664 2.616 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286815154 1061014944 /nfs/dbraw/zinc/01/49/44/1061014944.db2.gz MZEACDUXCRZBNM-GOSISDBHSA-N 1 0 488.614 2.765 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286818947 1061039178 /nfs/dbraw/zinc/03/91/78/1061039178.db2.gz UNIMITYFGDVVNL-FQEVSTJZSA-N 1 0 487.674 2.817 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nnc1C(C)(C)C ZINC001286824395 1061067376 /nfs/dbraw/zinc/06/73/76/1061067376.db2.gz CCOPZEXSFPQWNQ-OYRHEFFESA-N 1 0 457.644 2.745 20 30 JFEDRO C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286827144 1061074418 /nfs/dbraw/zinc/07/44/18/1061074418.db2.gz FFHOUFSXNYTOLC-NRFANRHFSA-N 1 0 470.643 2.616 20 30 JFEDRO C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286831027 1061078946 /nfs/dbraw/zinc/07/89/46/1061078946.db2.gz ZPTJJHHRILQSEL-NRFANRHFSA-N 1 0 454.644 2.916 20 30 JFEDRO C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286833070 1061083266 /nfs/dbraw/zinc/08/32/66/1061083266.db2.gz UQCNIOLBVYRERR-FCHUYYIVSA-N 1 0 478.707 2.670 20 30 JFEDRO C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001286833842 1061085090 /nfs/dbraw/zinc/08/50/90/1061085090.db2.gz QQSOCFAOCNYNGO-UHFFFAOYSA-N 1 0 472.688 2.999 20 30 JFEDRO C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286834210 1061085640 /nfs/dbraw/zinc/08/56/40/1061085640.db2.gz CSIHKIZXUNPNPZ-QFIPXVFZSA-N 1 0 484.670 2.828 20 30 JFEDRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001286903595 1061403948 /nfs/dbraw/zinc/40/39/48/1061403948.db2.gz KTJGGOIYCYDLQU-UHFFFAOYSA-N 1 0 492.672 2.726 20 30 JFEDRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001286910652 1061459162 /nfs/dbraw/zinc/45/91/62/1061459162.db2.gz FTCOGOVQEKOQPX-NRFANRHFSA-N 1 0 465.602 2.708 20 30 JFEDRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 ZINC001294208864 1061711714 /nfs/dbraw/zinc/71/17/14/1061711714.db2.gz KFAWRPKHSUGVLZ-LJQANCHMSA-N 1 0 474.631 2.641 20 30 JFEDRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001294224174 1061734425 /nfs/dbraw/zinc/73/44/25/1061734425.db2.gz POYPXWXAZGYVDV-NRFANRHFSA-N 1 0 452.607 2.845 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001294228101 1061742931 /nfs/dbraw/zinc/74/29/31/1061742931.db2.gz AOVVQCUBRNHOBG-CPJSRVTESA-N 1 0 468.602 2.845 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 ZINC001294308541 1061796584 /nfs/dbraw/zinc/79/65/84/1061796584.db2.gz LVRXYKJFHKZQHZ-UYAOXDASSA-N 1 0 465.668 2.673 20 30 JFEDRO Cc1ccccc1-c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001290119007 1061848287 /nfs/dbraw/zinc/84/82/87/1061848287.db2.gz VAZIRRASAHLPJI-GYHWCHFESA-N 1 0 463.586 2.747 20 30 JFEDRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1COCCO1 ZINC001287030580 1061981565 /nfs/dbraw/zinc/98/15/65/1061981565.db2.gz OCNUINJNHXKRQY-QFIPXVFZSA-N 1 0 452.603 2.866 20 30 JFEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 ZINC001287039496 1062006163 /nfs/dbraw/zinc/00/61/63/1062006163.db2.gz HNUVKBAEASAPJE-UHFFFAOYSA-N 1 0 462.558 2.997 20 30 JFEDRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287041599 1062010059 /nfs/dbraw/zinc/01/00/59/1062010059.db2.gz NMNOTKLLSBPFNM-VLMSHNLISA-N 1 0 485.633 2.604 20 30 JFEDRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287058409 1062084682 /nfs/dbraw/zinc/08/46/82/1062084682.db2.gz GOGMKWNYHAAZDU-FGZHOGPDSA-N 1 0 495.628 2.767 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001294648561 1062187122 /nfs/dbraw/zinc/18/71/22/1062187122.db2.gz JZNNDTZMWBHQKX-LJQANCHMSA-N 1 0 456.616 2.820 20 30 JFEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001294679428 1062238897 /nfs/dbraw/zinc/23/88/97/1062238897.db2.gz XTOTVSDRWPQRAQ-UHFFFAOYSA-N 1 0 456.616 2.705 20 30 JFEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294700429 1062265795 /nfs/dbraw/zinc/26/57/95/1062265795.db2.gz SOVRLLWHJWEEJK-NHCUHLMSSA-N 1 0 456.616 2.705 20 30 JFEDRO CC(C)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1)C[NH+]1CCCC1 ZINC001287092696 1062289355 /nfs/dbraw/zinc/28/93/55/1062289355.db2.gz AEBDYFVJLSXTOQ-HSZRJFAPSA-N 1 0 474.606 2.913 20 30 JFEDRO Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001290529870 1062331307 /nfs/dbraw/zinc/33/13/07/1062331307.db2.gz MBEJWRJRAISFNJ-UHFFFAOYSA-N 1 0 460.586 2.705 20 30 JFEDRO Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001290537669 1062338204 /nfs/dbraw/zinc/33/82/04/1062338204.db2.gz HIUVWRBWUHCTKQ-UHFFFAOYSA-N 1 0 459.602 2.830 20 30 JFEDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001287117193 1062350053 /nfs/dbraw/zinc/35/00/53/1062350053.db2.gz ZTZNTILGQUYXKK-OAQYLSRUSA-N 1 0 467.643 2.607 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccc4F)n3CCC[N@@H+](C)C(C)C)CC2)c1C#N ZINC001290576275 1062379253 /nfs/dbraw/zinc/37/92/53/1062379253.db2.gz CIFNIHAJRRAFIQ-UHFFFAOYSA-N 1 0 493.635 2.979 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001290645592 1062535447 /nfs/dbraw/zinc/53/54/47/1062535447.db2.gz BKYURGTYOXCQMQ-QFIPXVFZSA-N 1 0 454.623 2.627 20 30 JFEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001287207513 1062653698 /nfs/dbraw/zinc/65/36/98/1062653698.db2.gz OBKBZPLJCCLAKE-UHFFFAOYSA-N 1 0 470.643 2.810 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294933745 1062709980 /nfs/dbraw/zinc/70/99/80/1062709980.db2.gz CIPQEIXNXFDOBH-LOSJGSFVSA-N 1 0 468.602 2.939 20 30 JFEDRO CC(C)Cc1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287411171 1062850492 /nfs/dbraw/zinc/85/04/92/1062850492.db2.gz NRKMXKSITPUNEO-GHVJWSGMSA-N 1 0 457.623 2.560 20 30 JFEDRO CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001290997242 1062889451 /nfs/dbraw/zinc/88/94/51/1062889451.db2.gz BYRGIGPYSHRUGN-PDFGSZSQSA-N 1 0 474.650 2.804 20 30 JFEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001287456687 1062894312 /nfs/dbraw/zinc/89/43/12/1062894312.db2.gz IIKMPCFWRUMTGK-NBGIEHNGSA-N 1 0 452.603 2.600 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291009847 1062907636 /nfs/dbraw/zinc/90/76/36/1062907636.db2.gz LQJLIKSOLZXQKA-NHCUHLMSSA-N 1 0 499.685 2.656 20 30 JFEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295175124 1062999066 /nfs/dbraw/zinc/99/90/66/1062999066.db2.gz UPXPAENXYBQMDM-NHCUHLMSSA-N 1 0 470.643 2.951 20 30 JFEDRO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001287605156 1063000934 /nfs/dbraw/zinc/00/09/34/1063000934.db2.gz FNJZWRSAAMWTQE-UFYCRDLUSA-N 1 0 459.639 2.883 20 30 JFEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001287631302 1063011701 /nfs/dbraw/zinc/01/17/01/1063011701.db2.gz ZAAHAEGDFLTDHR-UHFFFAOYSA-N 1 0 470.643 2.810 20 30 JFEDRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001291096794 1063058257 /nfs/dbraw/zinc/05/82/57/1063058257.db2.gz KUCJVWWDUITXGY-NRFANRHFSA-N 1 0 499.685 2.943 20 30 JFEDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001291103620 1063081561 /nfs/dbraw/zinc/08/15/61/1063081561.db2.gz IBCGFXUBJDLEBT-AFMDSPMNSA-N 1 0 479.629 2.941 20 30 JFEDRO C[C@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001291129563 1063173597 /nfs/dbraw/zinc/17/35/97/1063173597.db2.gz QXZJYKYODQURBV-FPOVZHCZSA-N 1 0 465.602 2.552 20 30 JFEDRO CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001295315428 1063189269 /nfs/dbraw/zinc/18/92/69/1063189269.db2.gz VTVAAYNCDKPMHK-JOCHJYFZSA-N 1 0 479.629 2.624 20 30 JFEDRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291194319 1063326830 /nfs/dbraw/zinc/32/68/30/1063326830.db2.gz VDCBORQCUVKVCX-IBGZPJMESA-N 1 0 465.602 2.518 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001295366653 1063330449 /nfs/dbraw/zinc/33/04/49/1063330449.db2.gz RBELRWGUNWFWOC-IBGZPJMESA-N 1 0 464.618 2.931 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001295367086 1063331881 /nfs/dbraw/zinc/33/18/81/1063331881.db2.gz SOMLZUUUMPAZFF-NZQKXSOJSA-N 1 0 462.602 2.957 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001295387210 1063364121 /nfs/dbraw/zinc/36/41/21/1063364121.db2.gz YTPSJLCSMTWZLC-PZJWPPBQSA-N 1 0 463.590 2.892 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001295481852 1063494849 /nfs/dbraw/zinc/49/48/49/1063494849.db2.gz BHMGCIHVBZPYOC-RBBKRZOGSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2occc2C)CC1 ZINC001295482263 1063499028 /nfs/dbraw/zinc/49/90/28/1063499028.db2.gz HFQIIPCAEMOPEO-UHFFFAOYSA-N 1 0 461.570 2.757 20 30 JFEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C1 ZINC001295512435 1063547455 /nfs/dbraw/zinc/54/74/55/1063547455.db2.gz UPVTWZKUHABMRU-JOCHJYFZSA-N 1 0 451.619 2.707 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001295528317 1063566340 /nfs/dbraw/zinc/56/63/40/1063566340.db2.gz PZZPXDSSJXJAMZ-SFHVURJKSA-N 1 0 463.590 2.955 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001295559865 1063592477 /nfs/dbraw/zinc/59/24/77/1063592477.db2.gz LHZMRPQIRWLRKT-GOSISDBHSA-N 1 0 463.565 2.803 20 30 JFEDRO C[C@H]1C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC001291288586 1063651423 /nfs/dbraw/zinc/65/14/23/1063651423.db2.gz VEDUUWWYOHOMQT-PMACEKPBSA-N 1 0 488.596 2.933 20 30 JFEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O ZINC001291294790 1063691449 /nfs/dbraw/zinc/69/14/49/1063691449.db2.gz PJOLRVOENQMBDG-GHTZIAJQSA-N 1 0 456.616 2.705 20 30 JFEDRO C[C@H]1C[N@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 ZINC001291295203 1063694419 /nfs/dbraw/zinc/69/44/19/1063694419.db2.gz VZLJZJHLBCYXGB-MBSDFSHPSA-N 1 0 460.529 2.939 20 30 JFEDRO C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CCCC[NH+]2CCOCC2)CCOC1(C)C ZINC001291320062 1063758926 /nfs/dbraw/zinc/75/89/26/1063758926.db2.gz LNPIRZVYEAPNCE-HXUWFJFHSA-N 1 0 468.602 2.845 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)CCC(F)(F)F ZINC001295827020 1063835170 /nfs/dbraw/zinc/83/51/70/1063835170.db2.gz JCKGSGKWFMRYIS-IBGZPJMESA-N 1 0 490.534 2.647 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001295834354 1063850639 /nfs/dbraw/zinc/85/06/39/1063850639.db2.gz RDITUVABOMARJO-OFVILXPXSA-N 1 0 492.672 2.536 20 30 JFEDRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291390466 1063940857 /nfs/dbraw/zinc/94/08/57/1063940857.db2.gz XWYNHBDVGSGKLD-FQRUVTKNSA-N 1 0 481.645 2.604 20 30 JFEDRO CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC[NH+](C(C)C)CC2)cn1 ZINC001295908897 1063962635 /nfs/dbraw/zinc/96/26/35/1063962635.db2.gz CINLRRPVNNOOKP-UHFFFAOYSA-N 1 0 462.602 2.905 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001296012105 1064072694 /nfs/dbraw/zinc/07/26/94/1064072694.db2.gz RKAGMDZJEWFZJU-PZUVVTABSA-N 1 0 493.612 2.611 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C#N)CC2)C1 ZINC001296048571 1064107921 /nfs/dbraw/zinc/10/79/21/1064107921.db2.gz XFKDIVRGHQVJNY-VQTJNVASSA-N 1 0 473.622 2.668 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001296048809 1064108340 /nfs/dbraw/zinc/10/83/40/1064108340.db2.gz YIUUIOVPJCETGY-FHWLQOOXSA-N 1 0 461.611 2.667 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC#N)C1 ZINC001296048814 1064108787 /nfs/dbraw/zinc/10/87/87/1064108787.db2.gz YIUUIOVPJCETGY-QYZOEREBSA-N 1 0 461.611 2.667 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001296073760 1064139471 /nfs/dbraw/zinc/13/94/71/1064139471.db2.gz HLIYHJFNUSGKDH-IBGZPJMESA-N 1 0 482.608 2.628 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291605275 1064140676 /nfs/dbraw/zinc/14/06/76/1064140676.db2.gz ICOOBWHLUAMGKT-FGZHOGPDSA-N 1 0 479.677 2.658 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001291619246 1064157218 /nfs/dbraw/zinc/15/72/18/1064157218.db2.gz LFVJRABKEQNYRA-QFIPXVFZSA-N 1 0 479.677 2.803 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296135047 1064238356 /nfs/dbraw/zinc/23/83/56/1064238356.db2.gz VDXIAMNEEAQICQ-SFTDATJTSA-N 1 0 469.659 2.634 20 30 JFEDRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001296141699 1064247615 /nfs/dbraw/zinc/24/76/15/1064247615.db2.gz FYLXVCRBZRLHJC-YIUWNAERSA-N 1 0 497.575 2.614 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001291768458 1064250783 /nfs/dbraw/zinc/25/07/83/1064250783.db2.gz WETOJKHFIRJJKP-FQEVSTJZSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001291779678 1064267404 /nfs/dbraw/zinc/26/74/04/1064267404.db2.gz RKIIRSVOBHFQFO-FQEVSTJZSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(C)C)C2)CC1 ZINC001296179339 1064308800 /nfs/dbraw/zinc/30/88/00/1064308800.db2.gz FKOZNSPFLGCJLQ-QHCPKHFHSA-N 1 0 451.619 2.848 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001296190384 1064338816 /nfs/dbraw/zinc/33/88/16/1064338816.db2.gz CUSCUMUWKFOROQ-OAQYLSRUSA-N 1 0 465.646 2.891 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296196614 1064368606 /nfs/dbraw/zinc/36/86/06/1064368606.db2.gz YKISYYVESJTDMT-NTKDMRAZSA-N 1 0 457.573 2.724 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296196872 1064370204 /nfs/dbraw/zinc/37/02/04/1064370204.db2.gz VNVIIKDRPDXYQN-ZJSXRUAMSA-N 1 0 481.645 2.618 20 30 JFEDRO CCN1CC[NH+](CCCCn2c([C@H]3COc4ccccc4O3)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001296203016 1064380697 /nfs/dbraw/zinc/38/06/97/1064380697.db2.gz KIEOZQZFZGZSLM-NZQKXSOJSA-N 1 0 467.618 2.804 20 30 JFEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296206782 1064396384 /nfs/dbraw/zinc/39/63/84/1064396384.db2.gz SFGATJHBZJYIGE-UHFFFAOYSA-N 1 0 481.645 2.680 20 30 JFEDRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001296212398 1064404434 /nfs/dbraw/zinc/40/44/34/1064404434.db2.gz YDNJRQHYHXHFAA-UHFFFAOYSA-N 1 0 451.619 2.645 20 30 JFEDRO CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001292077878 1064760456 /nfs/dbraw/zinc/76/04/56/1064760456.db2.gz VMQNOVCLWJXAHS-SIKLNZKXSA-N 1 0 454.571 2.573 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292122144 1064856016 /nfs/dbraw/zinc/85/60/16/1064856016.db2.gz OBGARTRDWDQVHK-XZOQPEGZSA-N 1 0 496.635 2.815 20 30 JFEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001292185577 1064976908 /nfs/dbraw/zinc/97/69/08/1064976908.db2.gz QWRKSAPRJWKUDW-GOTSBHOMSA-N 1 0 451.619 2.846 20 30 JFEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001292185579 1064977139 /nfs/dbraw/zinc/97/71/39/1064977139.db2.gz QWRKSAPRJWKUDW-PKTZIBPZSA-N 1 0 451.619 2.846 20 30 JFEDRO CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001292252358 1065035015 /nfs/dbraw/zinc/03/50/15/1065035015.db2.gz QWJLECHPAVZTAI-VXKWHMMOSA-N 1 0 468.602 2.702 20 30 JFEDRO N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CC[NH+](CC4CCCCC4)CC3)C2=O)cc1 ZINC001292480998 1065204594 /nfs/dbraw/zinc/20/45/94/1065204594.db2.gz IRXYTJPJLDJBAJ-QFIPXVFZSA-N 1 0 451.571 2.924 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001292599604 1065320318 /nfs/dbraw/zinc/32/03/18/1065320318.db2.gz XVVDWWYLOIIIOH-RDPSFJRHSA-N 1 0 456.566 2.708 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292614160 1065341954 /nfs/dbraw/zinc/34/19/54/1065341954.db2.gz CTAYFOQZMZUQJP-RZUBCFFCSA-N 1 0 468.602 2.648 20 30 JFEDRO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001293112961 1065758694 /nfs/dbraw/zinc/75/86/94/1065758694.db2.gz AVYWVUCIHDKZPU-NJYVYQBISA-N 1 0 465.650 2.975 20 30 JFEDRO CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293112962 1065758753 /nfs/dbraw/zinc/75/87/53/1065758753.db2.gz AVYWVUCIHDKZPU-QHAWAJNXSA-N 1 0 465.650 2.975 20 30 JFEDRO CCc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001293199529 1065828294 /nfs/dbraw/zinc/82/82/94/1065828294.db2.gz UHBJOFLHMWAYEJ-GOSISDBHSA-N 1 0 479.585 2.793 20 30 JFEDRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293242438 1065904207 /nfs/dbraw/zinc/90/42/07/1065904207.db2.gz LEWUOBMTTOEHNL-IFMALSPDSA-N 1 0 465.602 2.564 20 30 JFEDRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293242439 1065904265 /nfs/dbraw/zinc/90/42/65/1065904265.db2.gz LEWUOBMTTOEHNL-IRLDBZIGSA-N 1 0 465.602 2.564 20 30 JFEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC[N@@H+]1CCOC ZINC001293542775 1066062650 /nfs/dbraw/zinc/06/26/50/1066062650.db2.gz OWRBKQPGBHQWMF-IBGZPJMESA-N 1 0 452.588 2.572 20 30 JFEDRO CCC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 ZINC001293837236 1066342211 /nfs/dbraw/zinc/34/22/11/1066342211.db2.gz TWRCOPBHBFVRMA-SANMLTNESA-N 1 0 465.646 2.934 20 30 JFEDRO CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001293866930 1066379071 /nfs/dbraw/zinc/37/90/71/1066379071.db2.gz IYYUQTQEZBEAIY-IRLDBZIGSA-N 1 0 479.629 2.956 20 30 JFEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001294065555 1066535786 /nfs/dbraw/zinc/53/57/86/1066535786.db2.gz DBDDGNDMKIUTFJ-XMMPIXPASA-N 1 0 489.624 2.984 20 30 JFEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001294068727 1066539330 /nfs/dbraw/zinc/53/93/30/1066539330.db2.gz XDLBKIWXWTWQJX-QFIPXVFZSA-N 1 0 451.619 2.848 20 30 JFEDRO CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294069905 1066540427 /nfs/dbraw/zinc/54/04/27/1066540427.db2.gz ZQTDIJWHQILJRB-WIOPSUGQSA-N 1 0 468.602 2.559 20 30 JFEDRO COC(=O)c1cc(C#N)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164682144 719681730 /nfs/dbraw/zinc/68/17/30/719681730.db2.gz BUDNHASKHSYJFI-FQEVSTJZSA-N 1 0 475.593 2.833 20 30 JFEDRO Cn1nnc2c1CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719948 720188396 /nfs/dbraw/zinc/18/83/96/720188396.db2.gz ZAMDYISNDHCKIC-WMZHIEFXSA-N 1 0 476.560 2.616 20 30 JFEDRO Cn1nnc2c1CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719952 720188586 /nfs/dbraw/zinc/18/85/86/720188586.db2.gz ZAMDYISNDHCKIC-XXBNENTESA-N 1 0 476.560 2.616 20 30 JFEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC1 ZINC001164830346 720330831 /nfs/dbraw/zinc/33/08/31/720330831.db2.gz PTAJTFSTRCUILP-RTWAWAEBSA-N 1 0 452.603 2.849 20 30 JFEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001164843280 720628181 /nfs/dbraw/zinc/62/81/81/720628181.db2.gz XKOQPTJSRREFSX-MHTWAQMVSA-N 1 0 465.602 3.000 20 30 JFEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164751011 720840258 /nfs/dbraw/zinc/84/02/58/720840258.db2.gz XRYLRMKYPUSOTL-KAGYGMCKSA-N 1 0 462.602 2.909 20 30 JFEDRO COC(=O)c1cc(C#N)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750551 720930303 /nfs/dbraw/zinc/93/03/03/720930303.db2.gz JUKXVUYJKSIJRH-BKMJKUGQSA-N 1 0 461.566 2.890 20 30 JFEDRO CCc1nc(C#N)c(C#N)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752956 720933481 /nfs/dbraw/zinc/93/34/81/720933481.db2.gz POCNPKGEVWJURH-LVXARBLLSA-N 1 0 457.582 2.932 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890576 721422686 /nfs/dbraw/zinc/42/26/86/721422686.db2.gz TYLLOLMGZYJIMY-BKMJKUGQSA-N 1 0 484.717 2.863 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903493 721553988 /nfs/dbraw/zinc/55/39/88/721553988.db2.gz BNNLVEGJINETCE-YSIASYRMSA-N 1 0 461.497 2.891 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909908 721560993 /nfs/dbraw/zinc/56/09/93/721560993.db2.gz VEDDSMFRHCMXLB-YSIASYRMSA-N 1 0 453.518 2.906 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979664 722142106 /nfs/dbraw/zinc/14/21/06/722142106.db2.gz LROTUGYIDKFYOR-VIZSFHNOSA-N 1 0 472.549 2.532 20 30 JFEDRO COc1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C#N)c(Cl)n1 ZINC001165001902 722254910 /nfs/dbraw/zinc/25/49/10/722254910.db2.gz IOXVDRVTRJJARR-UHFFFAOYSA-N 1 0 454.909 2.845 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCNC(=O)c1cccs1 ZINC001286302339 1060054775 /nfs/dbraw/zinc/05/47/75/1060054775.db2.gz LMBJJOMQISDKGO-OAQYLSRUSA-N 1 0 491.665 2.592 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@@H]1OC ZINC001286304543 1060057087 /nfs/dbraw/zinc/05/70/87/1060057087.db2.gz WWRUTKAOWQYQBH-FIXSFTCYSA-N 1 0 450.631 2.916 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CC=CCC2)c1 ZINC001286309628 1060064617 /nfs/dbraw/zinc/06/46/17/1060064617.db2.gz NTUUHLLNFHUKDY-UHFFFAOYSA-N 1 0 455.566 2.967 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001286311649 1060070638 /nfs/dbraw/zinc/07/06/38/1060070638.db2.gz LOLZLIRDJIOWLB-NRFANRHFSA-N 1 0 452.603 2.991 20 30 JFEDRO C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286316671 1060077677 /nfs/dbraw/zinc/07/76/77/1060077677.db2.gz FDBBKMPZYVPZSL-JOCHJYFZSA-N 1 0 466.630 2.982 20 30 JFEDRO C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286318343 1060079029 /nfs/dbraw/zinc/07/90/29/1060079029.db2.gz NFEPENCVLCHEHE-XMMPIXPASA-N 1 0 450.631 2.980 20 30 JFEDRO C#CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001286334841 1060088450 /nfs/dbraw/zinc/08/84/50/1060088450.db2.gz ZPECCRZQVXBPOD-XMMPIXPASA-N 1 0 477.657 2.551 20 30 JFEDRO C#CCCCCn1c(COc2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286335268 1060088830 /nfs/dbraw/zinc/08/88/30/1060088830.db2.gz RRCONOVBZRGPKU-UHFFFAOYSA-N 1 0 453.587 2.970 20 30 JFEDRO C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001286337830 1060092305 /nfs/dbraw/zinc/09/23/05/1060092305.db2.gz WHHGJHUYLKNEAS-LJQANCHMSA-N 1 0 474.451 2.676 20 30 JFEDRO C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001286342088 1060097212 /nfs/dbraw/zinc/09/72/12/1060097212.db2.gz LQLGHTXQOHBPIW-OAQYLSRUSA-N 1 0 484.670 2.794 20 30 JFEDRO C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001286362889 1060124010 /nfs/dbraw/zinc/12/40/10/1060124010.db2.gz KLWVEPMNEOKUPE-UHFFFAOYSA-N 1 0 495.653 2.605 20 30 JFEDRO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286375931 1060137337 /nfs/dbraw/zinc/13/73/37/1060137337.db2.gz AMFCEOXRFJGCED-LJQANCHMSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001286377511 1060141392 /nfs/dbraw/zinc/14/13/92/1060141392.db2.gz YPORXBOJKUIENY-PMACEKPBSA-N 1 0 460.623 2.920 20 30 JFEDRO C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(F)(F)Br ZINC001286379387 1060144509 /nfs/dbraw/zinc/14/45/09/1060144509.db2.gz PRONUGAPEKBLIX-UHFFFAOYSA-N 1 0 467.362 2.700 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C(C)C)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286380749 1060149348 /nfs/dbraw/zinc/14/93/48/1060149348.db2.gz DCIXGFUVVVIIEP-GGAORHGYSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382397 1060155302 /nfs/dbraw/zinc/15/53/02/1060155302.db2.gz JCYFPWVBYISGDF-FXAWDEMLSA-N 1 0 462.019 2.567 20 30 JFEDRO C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(C[N@H+](C)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001286385727 1060179035 /nfs/dbraw/zinc/17/90/35/1060179035.db2.gz OOAWBNMGGNRXHF-UGKGYDQZSA-N 1 0 457.644 2.918 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385805 1060180018 /nfs/dbraw/zinc/18/00/18/1060180018.db2.gz ZQPBWEBGHYAUMS-HXUWFJFHSA-N 1 0 462.019 2.711 20 30 JFEDRO C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286386666 1060189403 /nfs/dbraw/zinc/18/94/03/1060189403.db2.gz FRNZQOZVLVMACG-SJBKTWHCSA-N 1 0 484.670 2.723 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2C)n1CC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387168 1060197681 /nfs/dbraw/zinc/19/76/81/1060197681.db2.gz OQZHPIDFYWDPHD-PZJWPPBQSA-N 1 0 455.628 2.612 20 30 JFEDRO C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCC[N@H+]1CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387562 1060202023 /nfs/dbraw/zinc/20/20/23/1060202023.db2.gz SISHHYLJIHDESZ-FCHUYYIVSA-N 1 0 470.643 2.621 20 30 JFEDRO C#CCN(c1nnc(-c2cccc3cccnc32)n1C[C@@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286387786 1060203732 /nfs/dbraw/zinc/20/37/32/1060203732.db2.gz ICGQXPHNRJZKBP-CTNGQTDRSA-N 1 0 480.638 2.850 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CC[N@@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286388217 1060208354 /nfs/dbraw/zinc/20/83/54/1060208354.db2.gz MEKKEDHDXUSDAA-GMAHTHKFSA-N 1 0 469.655 2.866 20 30 JFEDRO C#CCN(c1nnc(-c2cccc3cccnc32)n1CCC[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388255 1060209734 /nfs/dbraw/zinc/20/97/34/1060209734.db2.gz MJWIMWUUHMXIIM-NRFANRHFSA-N 1 0 480.638 2.850 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389254 1060219622 /nfs/dbraw/zinc/21/96/22/1060219622.db2.gz ZXZCLDYQZHRONE-RZUBCFFCSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(C2CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389276 1060220147 /nfs/dbraw/zinc/22/01/47/1060220147.db2.gz HEBIKZRXVJEILG-DENIHFKCSA-N 1 0 455.628 2.693 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286389656 1060221710 /nfs/dbraw/zinc/22/17/10/1060221710.db2.gz OFASXRCEJPZCCU-FCHUYYIVSA-N 1 0 484.670 2.930 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1CCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286389659 1060221959 /nfs/dbraw/zinc/22/19/59/1060221959.db2.gz OFASXRCEJPZCCU-YADHBBJMSA-N 1 0 484.670 2.930 20 30 JFEDRO C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286391400 1060231554 /nfs/dbraw/zinc/23/15/54/1060231554.db2.gz IAESERFSUGOYQR-QHCPKHFHSA-N 1 0 469.655 2.746 20 30 JFEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCC[N@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286391443 1060232419 /nfs/dbraw/zinc/23/24/19/1060232419.db2.gz IMTXQFVKYPLXMU-NHCUHLMSSA-N 1 0 490.699 2.525 20 30 JFEDRO C#CCN(c1nnc(CCCc2ccccc2)n1C[C@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286391979 1060235714 /nfs/dbraw/zinc/23/57/14/1060235714.db2.gz KLIAMZXHKAGKGJ-DNQXCXABSA-N 1 0 483.682 2.955 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286395183 1060254132 /nfs/dbraw/zinc/25/41/32/1060254132.db2.gz RGJFRFGYCWRWRL-OFNKIYASSA-N 1 0 487.645 2.899 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286395797 1060259077 /nfs/dbraw/zinc/25/90/77/1060259077.db2.gz OBEYJXUQWNFBML-YADHBBJMSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286396447 1060262187 /nfs/dbraw/zinc/26/21/87/1060262187.db2.gz PTRQCUGARROEKH-VXKWHMMOSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286399014 1060277701 /nfs/dbraw/zinc/27/77/01/1060277701.db2.gz WNHJADVKPONWSK-ACIOBRDBSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1CC[NH+](CC)CC1 ZINC001286400701 1060281745 /nfs/dbraw/zinc/28/17/45/1060281745.db2.gz FDGSUMSUFDYPCT-UHFFFAOYSA-N 1 0 453.612 2.543 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286401367 1060282980 /nfs/dbraw/zinc/28/29/80/1060282980.db2.gz LHWACVYYNCXVDN-LJQANCHMSA-N 1 0 469.431 2.806 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286401361 1060283056 /nfs/dbraw/zinc/28/30/56/1060283056.db2.gz LDZPLUZLEIEYBD-SFHVURJKSA-N 1 0 486.414 2.636 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001286401978 1060284263 /nfs/dbraw/zinc/28/42/63/1060284263.db2.gz ULWNBIHCGBCRQM-JOCHJYFZSA-N 1 0 482.654 2.533 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286403139 1060286015 /nfs/dbraw/zinc/28/60/15/1060286015.db2.gz HERTVEPEWSKFLJ-NRFANRHFSA-N 1 0 457.582 2.909 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286410526 1060297383 /nfs/dbraw/zinc/29/73/83/1060297383.db2.gz UOMVYYCVYAIPEM-NRFANRHFSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001286414292 1060300306 /nfs/dbraw/zinc/30/03/06/1060300306.db2.gz VEZCNJRVEYBXTA-PKTZIBPZSA-N 1 0 498.672 2.822 20 30 JFEDRO C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001286414234 1060300370 /nfs/dbraw/zinc/30/03/70/1060300370.db2.gz TYKWNNABECMHTH-QFIPXVFZSA-N 1 0 474.638 2.889 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCC1 ZINC001286414591 1060300805 /nfs/dbraw/zinc/30/08/05/1060300805.db2.gz ZSAIONJDVPZYGD-HXUWFJFHSA-N 1 0 454.619 2.950 20 30 JFEDRO C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001286414842 1060301180 /nfs/dbraw/zinc/30/11/80/1060301180.db2.gz BEJQJVAKMZXVOK-PMACEKPBSA-N 1 0 453.562 2.957 20 30 JFEDRO C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001286415500 1060302506 /nfs/dbraw/zinc/30/25/06/1060302506.db2.gz KXKZUXVVIFZFEO-BJKOFHAPSA-N 1 0 460.626 2.531 20 30 JFEDRO C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286415408 1060302608 /nfs/dbraw/zinc/30/26/08/1060302608.db2.gz BOGCVEHTVPYJND-UHFFFAOYSA-N 1 0 487.583 2.654 20 30 JFEDRO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001286416703 1060304265 /nfs/dbraw/zinc/30/42/65/1060304265.db2.gz VSWHQJSZJKDTQU-HXUWFJFHSA-N 1 0 472.618 2.789 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+](C)C)CCCCC1 ZINC001286420769 1060308630 /nfs/dbraw/zinc/30/86/30/1060308630.db2.gz JPHZVDHDGAPMRJ-UHFFFAOYSA-N 1 0 496.681 2.923 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001286424136 1060312018 /nfs/dbraw/zinc/31/20/18/1060312018.db2.gz ZPVVCBTXLAULHI-RDGATRHJSA-N 1 0 453.562 2.835 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001286425946 1060314820 /nfs/dbraw/zinc/31/48/20/1060314820.db2.gz DKNNRKDQUBASSV-XZOQPEGZSA-N 1 0 460.582 2.538 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286426231 1060315823 /nfs/dbraw/zinc/31/58/23/1060315823.db2.gz OMQDLPGBZLKMNY-NHCUHLMSSA-N 1 0 471.609 2.775 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCC1 ZINC001286428221 1060318192 /nfs/dbraw/zinc/31/81/92/1060318192.db2.gz QWKWZHZKVOHJTL-JOCHJYFZSA-N 1 0 484.645 2.924 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCCC1 ZINC001286428661 1060319148 /nfs/dbraw/zinc/31/91/48/1060319148.db2.gz FCUYINZZAUOCEV-NRFANRHFSA-N 1 0 454.619 2.951 20 30 JFEDRO C#CCN(CC#CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCc1cccnc1 ZINC001286432713 1060324846 /nfs/dbraw/zinc/32/48/46/1060324846.db2.gz VCGLCJUIIRQFLH-UHFFFAOYSA-N 1 0 467.621 2.743 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001286438221 1060329437 /nfs/dbraw/zinc/32/94/37/1060329437.db2.gz DJWDLMUINGVTAI-OAQYLSRUSA-N 1 0 481.670 2.822 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001286438219 1060329601 /nfs/dbraw/zinc/32/96/01/1060329601.db2.gz DJWDLMUINGVTAI-NRFANRHFSA-N 1 0 481.670 2.822 20 30 JFEDRO C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286438385 1060329829 /nfs/dbraw/zinc/32/98/29/1060329829.db2.gz YUVWOXIWSPGJRD-SANMLTNESA-N 1 0 451.615 2.877 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286438553 1060329926 /nfs/dbraw/zinc/32/99/26/1060329926.db2.gz FJFQODOXFXCPNU-HSZRJFAPSA-N 1 0 470.625 2.620 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001286439960 1060330871 /nfs/dbraw/zinc/33/08/71/1060330871.db2.gz YYNGOQZBDHHPJE-QHCPKHFHSA-N 1 0 457.582 2.987 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001286452638 1060336726 /nfs/dbraw/zinc/33/67/26/1060336726.db2.gz QFWSHQYXKAMYSO-FQEVSTJZSA-N 1 0 470.593 2.696 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286457697 1060339316 /nfs/dbraw/zinc/33/93/16/1060339316.db2.gz CMOWHJSOMVOILC-FYYLOGMGSA-N 1 0 482.604 2.504 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001286462525 1060348779 /nfs/dbraw/zinc/34/87/79/1060348779.db2.gz LBCLRCLCLHYVFT-OAQYLSRUSA-N 1 0 491.621 2.642 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@H](C)[NH+](C)C ZINC001286463556 1060351333 /nfs/dbraw/zinc/35/13/33/1060351333.db2.gz QNEVZEOIHWRHMS-OAHLLOKOSA-N 1 0 450.381 2.752 20 30 JFEDRO C#CCN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286469433 1060357978 /nfs/dbraw/zinc/35/79/78/1060357978.db2.gz FIFPUWPKSLIHDA-UHFFFAOYSA-N 1 0 498.075 2.739 20 30 JFEDRO C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC001286469779 1060359355 /nfs/dbraw/zinc/35/93/55/1060359355.db2.gz LDUCRGLHRKYQMG-UHFFFAOYSA-N 1 0 486.624 2.571 20 30 JFEDRO C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001286470568 1060362686 /nfs/dbraw/zinc/36/26/86/1060362686.db2.gz ZYGPOQKOLGDPMD-FGZHOGPDSA-N 1 0 473.662 2.928 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286473903 1060378260 /nfs/dbraw/zinc/37/82/60/1060378260.db2.gz UXZVKBSFVOWCTI-NRFANRHFSA-N 1 0 466.630 2.838 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286473904 1060379217 /nfs/dbraw/zinc/37/92/17/1060379217.db2.gz UXZVKBSFVOWCTI-OAQYLSRUSA-N 1 0 466.630 2.838 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286473943 1060379252 /nfs/dbraw/zinc/37/92/52/1060379252.db2.gz WONHNOSBCVGJGO-FQEVSTJZSA-N 1 0 457.420 2.803 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286474613 1060385493 /nfs/dbraw/zinc/38/54/93/1060385493.db2.gz NQRRJLRJCUQTBH-QFIPXVFZSA-N 1 0 466.630 2.838 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001286474612 1060385531 /nfs/dbraw/zinc/38/55/31/1060385531.db2.gz NQRRJLRJCUQTBH-JOCHJYFZSA-N 1 0 466.630 2.838 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001286474610 1060385690 /nfs/dbraw/zinc/38/56/90/1060385690.db2.gz NNTWTIJEPGSJIS-UHFFFAOYSA-N 1 0 454.644 2.536 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001286474817 1060387126 /nfs/dbraw/zinc/38/71/26/1060387126.db2.gz QIVZZGAFRRUROZ-QFIPXVFZSA-N 1 0 466.630 2.982 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286476092 1060391624 /nfs/dbraw/zinc/39/16/24/1060391624.db2.gz NTZLAHCYYDRFBE-UHFFFAOYSA-N 1 0 459.520 2.846 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286480006 1060397546 /nfs/dbraw/zinc/39/75/46/1060397546.db2.gz JOLSALIDJFNBBS-LEWJYISDSA-N 1 0 485.677 2.631 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001286485646 1060427465 /nfs/dbraw/zinc/42/74/65/1060427465.db2.gz SKMBDWAHARPDQE-VXKWHMMOSA-N 1 0 485.677 2.980 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286486456 1060436290 /nfs/dbraw/zinc/43/62/90/1060436290.db2.gz FQOCSMMWQSJECQ-LJQANCHMSA-N 1 0 452.603 2.933 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001286487951 1060446425 /nfs/dbraw/zinc/44/64/25/1060446425.db2.gz SQLMRGRMZINREV-UHFFFAOYSA-N 1 0 460.582 2.944 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286488801 1060455065 /nfs/dbraw/zinc/45/50/65/1060455065.db2.gz UKYMPLMATUUYPB-NRFANRHFSA-N 1 0 455.006 2.905 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001286489660 1060467763 /nfs/dbraw/zinc/46/77/63/1060467763.db2.gz BHNHFNQMTWRFNK-UQBPGWFLSA-N 1 0 451.619 2.750 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001286489933 1060469207 /nfs/dbraw/zinc/46/92/07/1060469207.db2.gz DJZCYKJEEWXQJC-JOCHJYFZSA-N 1 0 452.578 2.953 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286490372 1060473848 /nfs/dbraw/zinc/47/38/48/1060473848.db2.gz RZAUEMWCOPCFSL-OAQYLSRUSA-N 1 0 466.630 2.896 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2CCCCC2)CC1 ZINC001286491124 1060481288 /nfs/dbraw/zinc/48/12/88/1060481288.db2.gz GHUCRGPKRUHQIQ-UHFFFAOYSA-N 1 0 478.641 2.719 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286491964 1060491837 /nfs/dbraw/zinc/49/18/37/1060491837.db2.gz BVAILHJEMLPEDJ-PKTZIBPZSA-N 1 0 470.662 2.648 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286493839 1060504195 /nfs/dbraw/zinc/50/41/95/1060504195.db2.gz QIDUNGOSFQTQJM-IRLDBZIGSA-N 1 0 470.662 2.648 20 30 JFEDRO C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286498747 1060519623 /nfs/dbraw/zinc/51/96/23/1060519623.db2.gz LNPYDDWZZXPXNJ-QFIPXVFZSA-N 1 0 466.655 2.617 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001286514565 1060549447 /nfs/dbraw/zinc/54/94/47/1060549447.db2.gz LGDHQRXYSRIKSU-RUZDIDTESA-N 1 0 465.602 2.807 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001286516183 1060552159 /nfs/dbraw/zinc/55/21/59/1060552159.db2.gz CZFUXAFUJJATJM-WMZHIEFXSA-N 1 0 464.680 2.639 20 30 JFEDRO C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001286533035 1060569149 /nfs/dbraw/zinc/56/91/49/1060569149.db2.gz CNCUYWFSCIPSBO-INIZCTEOSA-N 1 0 477.363 2.920 20 30 JFEDRO C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001286544589 1060591552 /nfs/dbraw/zinc/59/15/52/1060591552.db2.gz KGEKZPCDGLIDKM-LJQANCHMSA-N 1 0 488.434 2.972 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562923 1060643588 /nfs/dbraw/zinc/64/35/88/1060643588.db2.gz MVTAROCUPPAMOX-VJBWXMMDSA-N 1 0 474.694 2.788 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001286566422 1060654847 /nfs/dbraw/zinc/65/48/47/1060654847.db2.gz MTFPPKJMZFOIMT-HOKHCIIBSA-N 1 0 480.613 2.867 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604256 1060708260 /nfs/dbraw/zinc/70/82/60/1060708260.db2.gz HKFSJVQOGAWAOF-SQJMNOBHSA-N 1 0 496.656 2.925 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286605538 1060712768 /nfs/dbraw/zinc/71/27/68/1060712768.db2.gz ZPRRXKRXBULWGG-UYAOXDASSA-N 1 0 459.616 2.614 20 30 JFEDRO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001286610722 1060721148 /nfs/dbraw/zinc/72/11/48/1060721148.db2.gz AIBGGIATOGMBLN-UHFFFAOYSA-N 1 0 452.603 2.624 20 30 JFEDRO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001286615653 1060730507 /nfs/dbraw/zinc/73/05/07/1060730507.db2.gz SNZIEBJBECOZSG-ICSRJNTNSA-N 1 0 472.659 2.912 20 30 JFEDRO C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1)c1ccccc1 ZINC001286617826 1060732790 /nfs/dbraw/zinc/73/27/90/1060732790.db2.gz UBRRSMHHZJBCFN-FGZHOGPDSA-N 1 0 452.603 2.880 20 30 JFEDRO C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001286619670 1060735898 /nfs/dbraw/zinc/73/58/98/1060735898.db2.gz UYBTXZDTMAGDIZ-UHFFFAOYSA-N 1 0 488.036 2.890 20 30 JFEDRO C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001286637826 1060757668 /nfs/dbraw/zinc/75/76/68/1060757668.db2.gz NNAHTNOKPQDUCR-DENIHFKCSA-N 1 0 488.658 2.890 20 30 JFEDRO C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286637957 1060758443 /nfs/dbraw/zinc/75/84/43/1060758443.db2.gz QFEWMHCGPDZFGP-AQNXPRMDSA-N 1 0 452.669 2.803 20 30 JFEDRO C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286670329 1060782240 /nfs/dbraw/zinc/78/22/40/1060782240.db2.gz GPDZSNQZDMEFSS-UGKGYDQZSA-N 1 0 468.650 2.660 20 30 JFEDRO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286710765 1060829479 /nfs/dbraw/zinc/82/94/79/1060829479.db2.gz CWOBSBPKHNFKJV-GBXCKJPGSA-N 1 0 481.645 2.620 20 30 JFEDRO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001286722678 1060845887 /nfs/dbraw/zinc/84/58/87/1060845887.db2.gz PNGBUNVUZXEOPH-IBGZPJMESA-N 1 0 465.602 2.654 20 30 JFEDRO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001286722679 1060845938 /nfs/dbraw/zinc/84/59/38/1060845938.db2.gz PNGBUNVUZXEOPH-LJQANCHMSA-N 1 0 465.602 2.654 20 30 JFEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286741084 1060862040 /nfs/dbraw/zinc/86/20/40/1060862040.db2.gz CFXAHVWNKUGLAF-HYBUGGRVSA-N 1 0 465.627 2.731 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)C(C)C ZINC001286750993 1060878352 /nfs/dbraw/zinc/87/83/52/1060878352.db2.gz KPDUWJIUVPODAS-KSEOMHKRSA-N 1 0 464.618 2.681 20 30 JFEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1)C(C)C ZINC001286752265 1060880785 /nfs/dbraw/zinc/88/07/85/1060880785.db2.gz YBZFGFFWQFKUMN-QFIPXVFZSA-N 1 0 473.666 2.674 20 30 JFEDRO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001286766790 1060895849 /nfs/dbraw/zinc/89/58/49/1060895849.db2.gz WMQSCFPIOKZFAW-WOJBJXKFSA-N 1 0 461.632 2.883 20 30 JFEDRO C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286777711 1060914509 /nfs/dbraw/zinc/91/45/09/1060914509.db2.gz ILQRTDSMEMAEKS-NRFANRHFSA-N 1 0 486.686 2.996 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001286779648 1060920563 /nfs/dbraw/zinc/92/05/63/1060920563.db2.gz KYYPXLVPNCJXNZ-KRWDZBQOSA-N 1 0 458.994 2.590 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001286781991 1060927318 /nfs/dbraw/zinc/92/73/18/1060927318.db2.gz GXTCACKKHMBJMG-AZUAARDMSA-N 1 0 486.686 2.981 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001286783105 1060932334 /nfs/dbraw/zinc/93/23/34/1060932334.db2.gz GTVJBECTABXSFK-UYAOXDASSA-N 1 0 468.602 2.718 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286783882 1060935352 /nfs/dbraw/zinc/93/53/52/1060935352.db2.gz OVMQBEBJSJIGNQ-UHFFFAOYSA-N 1 0 482.629 2.965 20 30 JFEDRO C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001286792113 1060959367 /nfs/dbraw/zinc/95/93/67/1060959367.db2.gz MNQPLPXBRGIBCZ-UHFFFAOYSA-N 1 0 452.603 2.922 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286793868 1060966976 /nfs/dbraw/zinc/96/69/76/1060966976.db2.gz OIHJAGISYRGACY-CZTZKLFOSA-N 1 0 458.651 2.810 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001286798402 1060978523 /nfs/dbraw/zinc/97/85/23/1060978523.db2.gz KLTMNMKOAJTZEP-OAQYLSRUSA-N 1 0 453.591 2.509 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001286798789 1060980177 /nfs/dbraw/zinc/98/01/77/1060980177.db2.gz OKIIJSDPFUEISV-OALUTQOASA-N 1 0 453.591 2.827 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001286798788 1060980333 /nfs/dbraw/zinc/98/03/33/1060980333.db2.gz OKIIJSDPFUEISV-MOPGFXCFSA-N 1 0 453.591 2.827 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001286799723 1060983308 /nfs/dbraw/zinc/98/33/08/1060983308.db2.gz ZGUYZTBEGCGQNK-FCHUYYIVSA-N 1 0 468.602 2.607 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001286804787 1060993019 /nfs/dbraw/zinc/99/30/19/1060993019.db2.gz OHSIRBHNMLZKSC-GOSISDBHSA-N 1 0 492.466 2.843 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286809996 1061000670 /nfs/dbraw/zinc/00/06/70/1061000670.db2.gz MTVRELHJCGOFCS-LNRXMEIDSA-N 1 0 479.691 2.720 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001286812390 1061005633 /nfs/dbraw/zinc/00/56/33/1061005633.db2.gz LCMPVUPAQFMHAH-YPAWHYETSA-N 1 0 471.650 2.809 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001286813122 1061006096 /nfs/dbraw/zinc/00/60/96/1061006096.db2.gz RVUBWKXGFFCHGV-GOSISDBHSA-N 1 0 458.632 2.925 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001286814929 1061012940 /nfs/dbraw/zinc/01/29/40/1061012940.db2.gz IGUWNMCTTRXPEN-UHFFFAOYSA-N 1 0 494.061 2.748 20 30 JFEDRO C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286819995 1061044333 /nfs/dbraw/zinc/04/43/33/1061044333.db2.gz BGSIBDIEALMCAK-NRFANRHFSA-N 1 0 489.642 2.702 20 30 JFEDRO C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286833727 1061084388 /nfs/dbraw/zinc/08/43/88/1061084388.db2.gz MXYLYJTUYFSVOB-NRFANRHFSA-N 1 0 472.634 2.670 20 30 JFEDRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC001289655521 1061277934 /nfs/dbraw/zinc/27/79/34/1061277934.db2.gz JUMKZRQBEYSNIE-UHFFFAOYSA-N 1 0 472.597 2.752 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286882865 1061311858 /nfs/dbraw/zinc/31/18/58/1061311858.db2.gz KCDNNSXWKBWYCJ-FQEVSTJZSA-N 1 0 479.629 2.908 20 30 JFEDRO Cc1ccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001289824465 1061490476 /nfs/dbraw/zinc/49/04/76/1061490476.db2.gz LZLXTWAVOXKENC-FQEVSTJZSA-N 1 0 460.586 2.709 20 30 JFEDRO CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286919681 1061510808 /nfs/dbraw/zinc/51/08/08/1061510808.db2.gz KRAIQCVXOSPXFD-QFIPXVFZSA-N 1 0 467.618 2.810 20 30 JFEDRO Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001289879537 1061565033 /nfs/dbraw/zinc/56/50/33/1061565033.db2.gz SJUZVTFEWOEFQO-LEWJYISDSA-N 1 0 470.643 2.845 20 30 JFEDRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 ZINC001294208863 1061711889 /nfs/dbraw/zinc/71/18/89/1061711889.db2.gz KFAWRPKHSUGVLZ-IBGZPJMESA-N 1 0 474.631 2.641 20 30 JFEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294217474 1061728863 /nfs/dbraw/zinc/72/88/63/1061728863.db2.gz IZTDUZBSLSYKBJ-QHCPKHFHSA-N 1 0 456.616 2.564 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001286960828 1061734026 /nfs/dbraw/zinc/73/40/26/1061734026.db2.gz JHWNVDKEVUNKIE-GJZGRUSLSA-N 1 0 450.385 2.600 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCSCC1 ZINC001286960867 1061734149 /nfs/dbraw/zinc/73/41/49/1061734149.db2.gz JPQHHBOWUSEDEX-CQSZACIVSA-N 1 0 452.426 2.691 20 30 JFEDRO C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N)C[NH+]1CCCC1 ZINC001286968400 1061744227 /nfs/dbraw/zinc/74/42/27/1061744227.db2.gz LFNWOKWCTYLCOC-WOJBJXKFSA-N 1 0 451.623 2.780 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001294229673 1061746438 /nfs/dbraw/zinc/74/64/38/1061746438.db2.gz OUNMGQUDLZUWDQ-WOJBJXKFSA-N 1 0 454.531 2.575 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001294229672 1061746543 /nfs/dbraw/zinc/74/65/43/1061746543.db2.gz OUNMGQUDLZUWDQ-VQTJNVASSA-N 1 0 454.531 2.575 20 30 JFEDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC[N@H+](C)C1CCCC1 ZINC001286977208 1061789764 /nfs/dbraw/zinc/78/97/64/1061789764.db2.gz HDAPUAJGCURNDZ-QZTJIDSGSA-N 1 0 458.632 2.949 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294308148 1061795268 /nfs/dbraw/zinc/79/52/68/1061795268.db2.gz HWEXEVSFGFHTGO-DEOSSOPVSA-N 1 0 492.672 2.729 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294308149 1061795379 /nfs/dbraw/zinc/79/53/79/1061795379.db2.gz HWEXEVSFGFHTGO-XMMPIXPASA-N 1 0 492.672 2.729 20 30 JFEDRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC[C@H]1COCCO1 ZINC001287006267 1061925869 /nfs/dbraw/zinc/92/58/69/1061925869.db2.gz CHQHGTAIDFJLKK-QFIPXVFZSA-N 1 0 452.603 2.965 20 30 JFEDRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001287006270 1061925925 /nfs/dbraw/zinc/92/59/25/1061925925.db2.gz CIHCBZQQGMJNMI-UHFFFAOYSA-N 1 0 472.597 2.702 20 30 JFEDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001287042233 1062011571 /nfs/dbraw/zinc/01/15/71/1062011571.db2.gz FVLBZVZRVRMIDQ-OAQYLSRUSA-N 1 0 485.658 2.551 20 30 JFEDRO CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001290399682 1062100935 /nfs/dbraw/zinc/10/09/35/1062100935.db2.gz FWRBKVSHKMWLMP-UHFFFAOYSA-N 1 0 455.603 2.582 20 30 JFEDRO Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)cs1 ZINC001290413664 1062133122 /nfs/dbraw/zinc/13/31/22/1062133122.db2.gz FDXAIVUFBCGPSA-UHFFFAOYSA-N 1 0 457.648 2.999 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001294647745 1062183636 /nfs/dbraw/zinc/18/36/36/1062183636.db2.gz FPRJYYNIXISMDS-BJLQDIEVSA-N 1 0 458.632 2.806 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001294647752 1062183793 /nfs/dbraw/zinc/18/37/93/1062183793.db2.gz FPRJYYNIXISMDS-HBFSDRIKSA-N 1 0 458.632 2.806 20 30 JFEDRO CCC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001294656177 1062201027 /nfs/dbraw/zinc/20/10/27/1062201027.db2.gz FSBIPEWHDKMPKY-JOCHJYFZSA-N 1 0 470.643 2.810 20 30 JFEDRO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287072106 1062205581 /nfs/dbraw/zinc/20/55/81/1062205581.db2.gz PDLZNFCYKIALOR-FCHUYYIVSA-N 1 0 495.628 2.767 20 30 JFEDRO CCC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001294659498 1062207945 /nfs/dbraw/zinc/20/79/45/1062207945.db2.gz WVKXTQNHVXEPDA-QFIPXVFZSA-N 1 0 470.643 2.810 20 30 JFEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001294751794 1062341006 /nfs/dbraw/zinc/34/10/06/1062341006.db2.gz YIRICIFYAFSASX-FQEVSTJZSA-N 1 0 456.616 2.705 20 30 JFEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294760338 1062350720 /nfs/dbraw/zinc/35/07/20/1062350720.db2.gz OPZRFYOGXIZVCY-UXHICEINSA-N 1 0 452.559 2.602 20 30 JFEDRO CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)CC1 ZINC001287121650 1062368889 /nfs/dbraw/zinc/36/88/89/1062368889.db2.gz AWHCMVCPJPHRGF-UHFFFAOYSA-N 1 0 479.629 2.956 20 30 JFEDRO CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001294813571 1062488851 /nfs/dbraw/zinc/48/88/51/1062488851.db2.gz TWHRGFQZTIADPT-VXKWHMMOSA-N 1 0 479.629 2.956 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001290633313 1062511282 /nfs/dbraw/zinc/51/12/82/1062511282.db2.gz QPWSJAMSVXEKRA-PQNGQFLHSA-N 1 0 454.623 2.769 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001287156284 1062542895 /nfs/dbraw/zinc/54/28/95/1062542895.db2.gz HTAMRAWTYUHDGF-KNQAVFIVSA-N 1 0 457.510 2.652 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001287158725 1062552967 /nfs/dbraw/zinc/55/29/67/1062552967.db2.gz UXMHTEZQOUKZSD-NHCUHLMSSA-N 1 0 456.616 2.560 20 30 JFEDRO N#Cc1ccc(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1Br ZINC001294872301 1062580255 /nfs/dbraw/zinc/58/02/55/1062580255.db2.gz UWKGNCNTHNKYDV-WIYYLYMNSA-N 1 0 458.356 2.699 20 30 JFEDRO N#Cc1ccc(OCC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1Br ZINC001294872299 1062580366 /nfs/dbraw/zinc/58/03/66/1062580366.db2.gz UWKGNCNTHNKYDV-NQIIRXRSSA-N 1 0 458.356 2.699 20 30 JFEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001290681146 1062594232 /nfs/dbraw/zinc/59/42/32/1062594232.db2.gz VRKSSDZYHSWGOT-IBGZPJMESA-N 1 0 454.596 2.773 20 30 JFEDRO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001290985534 1062871365 /nfs/dbraw/zinc/87/13/65/1062871365.db2.gz ITUPBIBQBFUNCH-AUSIDOKSSA-N 1 0 479.629 2.906 20 30 JFEDRO CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287455760 1062892064 /nfs/dbraw/zinc/89/20/64/1062892064.db2.gz CWKSKVJZDRPONL-QHCPKHFHSA-N 1 0 465.646 2.912 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 ZINC001290999147 1062893127 /nfs/dbraw/zinc/89/31/27/1062893127.db2.gz JIXHMRFIPIJBLH-BGYRXZFFSA-N 1 0 479.629 2.764 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 ZINC001291011626 1062912935 /nfs/dbraw/zinc/91/29/35/1062912935.db2.gz MXHCAKXEYNHKJF-SFHLNBCPSA-N 1 0 462.664 2.678 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287469434 1062916442 /nfs/dbraw/zinc/91/64/42/1062916442.db2.gz RAPDCIULQAXQKD-FQEVSTJZSA-N 1 0 469.609 2.661 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001287470937 1062918327 /nfs/dbraw/zinc/91/83/27/1062918327.db2.gz HPDLSGDTXQEQLU-NRFANRHFSA-N 1 0 466.634 2.571 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001287470947 1062918900 /nfs/dbraw/zinc/91/89/00/1062918900.db2.gz HPDLSGDTXQEQLU-OAQYLSRUSA-N 1 0 466.634 2.571 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001291015670 1062926605 /nfs/dbraw/zinc/92/66/05/1062926605.db2.gz UVLJZPOTWGXPSC-MQSCRBSSSA-N 1 0 452.603 2.996 20 30 JFEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 ZINC001291052970 1062985795 /nfs/dbraw/zinc/98/57/95/1062985795.db2.gz ZUSISMOCDMYDEX-WOJBJXKFSA-N 1 0 451.619 2.582 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295162032 1062986089 /nfs/dbraw/zinc/98/60/89/1062986089.db2.gz MWXKYNXNHIBDGP-DXIQSLLYSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291067785 1063014907 /nfs/dbraw/zinc/01/49/07/1063014907.db2.gz FIJDXGSDAQRMTR-WYEJZRMESA-N 1 0 467.618 2.939 20 30 JFEDRO C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)([NH+](C)C)C1 ZINC001291068537 1063016298 /nfs/dbraw/zinc/01/62/98/1063016298.db2.gz PIRUJZWVFPEOTI-XQFWAAQXSA-N 1 0 462.664 2.821 20 30 JFEDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001291096795 1063058209 /nfs/dbraw/zinc/05/82/09/1063058209.db2.gz KUCJVWWDUITXGY-OAQYLSRUSA-N 1 0 499.685 2.943 20 30 JFEDRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291124686 1063143820 /nfs/dbraw/zinc/14/38/20/1063143820.db2.gz INQCLYRWZUASOV-LEWJYISDSA-N 1 0 479.629 2.908 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001291124688 1063144664 /nfs/dbraw/zinc/14/46/64/1063144664.db2.gz INQCLYRWZUASOV-RTWAWAEBSA-N 1 0 479.629 2.908 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001291129562 1063173526 /nfs/dbraw/zinc/17/35/26/1063173526.db2.gz QXZJYKYODQURBV-CTNGQTDRSA-N 1 0 465.602 2.552 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001291129565 1063173682 /nfs/dbraw/zinc/17/36/82/1063173682.db2.gz QXZJYKYODQURBV-TZIWHRDSSA-N 1 0 465.602 2.552 20 30 JFEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291142442 1063220133 /nfs/dbraw/zinc/22/01/33/1063220133.db2.gz DZOHOGRBVXFYNH-FQEVSTJZSA-N 1 0 499.685 2.703 20 30 JFEDRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001295327298 1063222097 /nfs/dbraw/zinc/22/20/97/1063222097.db2.gz QOMGTAGKRMXMOC-OAQYLSRUSA-N 1 0 492.672 2.680 20 30 JFEDRO CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291179855 1063269801 /nfs/dbraw/zinc/26/98/01/1063269801.db2.gz OPIJMTWFOTYIDI-UHFFFAOYSA-N 1 0 493.660 2.522 20 30 JFEDRO CC1CC[NH+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001291181427 1063274754 /nfs/dbraw/zinc/27/47/54/1063274754.db2.gz HWWATJVGIURKKL-OAQYLSRUSA-N 1 0 486.020 2.712 20 30 JFEDRO CC1CC[NH+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001291181426 1063274798 /nfs/dbraw/zinc/27/47/98/1063274798.db2.gz HWWATJVGIURKKL-NRFANRHFSA-N 1 0 486.020 2.712 20 30 JFEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C[C@H](C)O1 ZINC001291188554 1063304706 /nfs/dbraw/zinc/30/47/06/1063304706.db2.gz MGZVCWSJROTWOM-MFEFFIJZSA-N 1 0 489.621 2.599 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001295367088 1063331604 /nfs/dbraw/zinc/33/16/04/1063331604.db2.gz SOMLZUUUMPAZFF-REWPJTCUSA-N 1 0 462.602 2.957 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001295367087 1063331759 /nfs/dbraw/zinc/33/17/59/1063331759.db2.gz SOMLZUUUMPAZFF-OFNKIYASSA-N 1 0 462.602 2.957 20 30 JFEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccccc2)n1CC(C)(C)C[NH+](C)C ZINC001291195079 1063332669 /nfs/dbraw/zinc/33/26/69/1063332669.db2.gz JXKBPCAXXURHHY-LJQANCHMSA-N 1 0 459.602 2.910 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001295387596 1063364640 /nfs/dbraw/zinc/36/46/40/1063364640.db2.gz GKBVUMLDGOUZED-FQEVSTJZSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)c1ccco1 ZINC001295400221 1063386363 /nfs/dbraw/zinc/38/63/63/1063386363.db2.gz ZSBOZJODVKIMII-JOCHJYFZSA-N 1 0 491.596 2.788 20 30 JFEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC[NH+](C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291218526 1063444341 /nfs/dbraw/zinc/44/43/41/1063444341.db2.gz VCDONWJPYDDUCS-RXVVDRJESA-N 1 0 483.617 2.744 20 30 JFEDRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1 ZINC001295494676 1063530431 /nfs/dbraw/zinc/53/04/31/1063530431.db2.gz RZWWCSJHHZOARU-WIYYLYMNSA-N 1 0 458.632 2.809 20 30 JFEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001295510390 1063545452 /nfs/dbraw/zinc/54/54/52/1063545452.db2.gz YEQHEHACWSSOIO-QCLNCQLRSA-N 1 0 467.574 2.541 20 30 JFEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001295511624 1063546431 /nfs/dbraw/zinc/54/64/31/1063546431.db2.gz LZTGUHCSEFJASM-SFTDATJTSA-N 1 0 470.643 2.810 20 30 JFEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001295516448 1063553052 /nfs/dbraw/zinc/55/30/52/1063553052.db2.gz IWBAZOUIUUCSKO-UGNPLGLKSA-N 1 0 457.623 2.561 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001295527304 1063565268 /nfs/dbraw/zinc/56/52/68/1063565268.db2.gz HBLNYZWWMBNIQV-NZQKXSOJSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001295528356 1063566386 /nfs/dbraw/zinc/56/63/86/1063566386.db2.gz QZSIGWWPSJDOFE-UHFFFAOYSA-N 1 0 465.606 2.819 20 30 JFEDRO CC[NH+](CC)CCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@](C)(C#N)C1 ZINC001295542914 1063577564 /nfs/dbraw/zinc/57/75/64/1063577564.db2.gz FGJUTQNKHUSZQP-AREMUKBSSA-N 1 0 492.628 2.680 20 30 JFEDRO C[C@@H]1C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC001291288587 1063651379 /nfs/dbraw/zinc/65/13/79/1063651379.db2.gz VEDUUWWYOHOMQT-WOJBJXKFSA-N 1 0 488.596 2.933 20 30 JFEDRO C[C@H]1C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291289736 1063658991 /nfs/dbraw/zinc/65/89/91/1063658991.db2.gz PEQGFCQBFCSOSB-OALUTQOASA-N 1 0 467.618 2.667 20 30 JFEDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001291339464 1063812844 /nfs/dbraw/zinc/81/28/44/1063812844.db2.gz OHJFFQOHBCFIFY-GOTSBHOMSA-N 1 0 479.629 2.669 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)CCC(F)(F)F ZINC001295831504 1063846661 /nfs/dbraw/zinc/84/66/61/1063846661.db2.gz YZUJFJIMTZOSDP-HXUWFJFHSA-N 1 0 492.485 2.637 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1)C1CC1 ZINC001295833874 1063849263 /nfs/dbraw/zinc/84/92/63/1063849263.db2.gz IKFQQOKLVKIAIR-UHFFFAOYSA-N 1 0 451.619 2.848 20 30 JFEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291347606 1063850674 /nfs/dbraw/zinc/85/06/74/1063850674.db2.gz QEXTXJGFVRXTEM-HXUWFJFHSA-N 1 0 467.618 2.812 20 30 JFEDRO CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C ZINC001295841753 1063862309 /nfs/dbraw/zinc/86/23/09/1063862309.db2.gz PUTOILKPSLZUNL-UHFFFAOYSA-N 1 0 465.581 2.746 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC001295865102 1063896111 /nfs/dbraw/zinc/89/61/11/1063896111.db2.gz BIZUUDDKOZATGY-NLFFAJNJSA-N 1 0 468.602 2.843 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1)CCC(F)(F)F ZINC001295866236 1063900307 /nfs/dbraw/zinc/90/03/07/1063900307.db2.gz WSVFIVYMJYEFIS-UHFFFAOYSA-N 1 0 493.534 2.672 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001295877147 1063917580 /nfs/dbraw/zinc/91/75/80/1063917580.db2.gz GJSURIPCNLLAEE-UHFFFAOYSA-N 1 0 458.632 2.810 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001295878590 1063920624 /nfs/dbraw/zinc/92/06/24/1063920624.db2.gz SFCRUPABEHTIPG-LJQANCHMSA-N 1 0 458.632 2.808 20 30 JFEDRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001291388732 1063937753 /nfs/dbraw/zinc/93/77/53/1063937753.db2.gz BRRCOKAIMMYOKH-QYXIYQDXSA-N 1 0 452.603 2.772 20 30 JFEDRO CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCOCC2)cn1 ZINC001295917511 1063971263 /nfs/dbraw/zinc/97/12/63/1063971263.db2.gz ONQIIAPNDAEZJI-UHFFFAOYSA-N 1 0 478.601 2.692 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296010859 1064069543 /nfs/dbraw/zinc/06/95/43/1064069543.db2.gz MRLHMBUYOZTTSJ-ZRCGQRJVSA-N 1 0 479.629 2.906 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296012428 1064072577 /nfs/dbraw/zinc/07/25/77/1064072577.db2.gz STACESSPSHKDIY-MOPGFXCFSA-N 1 0 467.618 2.810 20 30 JFEDRO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC001296022417 1064083101 /nfs/dbraw/zinc/08/31/01/1064083101.db2.gz ZENOQUIIRQQDAY-PTUXOGIPSA-N 1 0 499.685 2.754 20 30 JFEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296030793 1064088371 /nfs/dbraw/zinc/08/83/71/1064088371.db2.gz LPHQORTVFDFZIT-FQEVSTJZSA-N 1 0 479.629 2.908 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001296061186 1064126686 /nfs/dbraw/zinc/12/66/86/1064126686.db2.gz VSGMTCSNLSVNPW-NHCUHLMSSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001296079186 1064146534 /nfs/dbraw/zinc/14/65/34/1064146534.db2.gz CTGHUHOBQIMERI-YADHBBJMSA-N 1 0 465.602 2.740 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001296089787 1064161160 /nfs/dbraw/zinc/16/11/60/1064161160.db2.gz RTGNPTSEKDHXKS-NHCUHLMSSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296125262 1064218724 /nfs/dbraw/zinc/21/87/24/1064218724.db2.gz LNRMPQCHGWIDCU-UNMCSNQZSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296125253 1064218749 /nfs/dbraw/zinc/21/87/49/1064218749.db2.gz LNRMPQCHGWIDCU-IFMALSPDSA-N 1 0 451.619 2.706 20 30 JFEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296127647 1064221974 /nfs/dbraw/zinc/22/19/74/1064221974.db2.gz WICJTGYHJCIBGG-WOJBJXKFSA-N 1 0 451.619 2.846 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001296134915 1064237474 /nfs/dbraw/zinc/23/74/74/1064237474.db2.gz SFSBOTZQTOLTGV-KPQWGBOZSA-N 1 0 469.609 2.939 20 30 JFEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001296135489 1064240179 /nfs/dbraw/zinc/24/01/79/1064240179.db2.gz ZGLGXLOAMNCRBN-SFTDATJTSA-N 1 0 451.619 2.991 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001291766248 1064247693 /nfs/dbraw/zinc/24/76/93/1064247693.db2.gz UCDOJWVVYVQXIU-NZQKXSOJSA-N 1 0 462.602 2.957 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 ZINC001291774135 1064262565 /nfs/dbraw/zinc/26/25/65/1064262565.db2.gz LWAZOGFURGCAAK-IBGZPJMESA-N 1 0 451.623 2.922 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001291774658 1064263055 /nfs/dbraw/zinc/26/30/55/1064263055.db2.gz PYATZSOQIBPSQY-TZIWHRDSSA-N 1 0 452.607 2.843 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001296197500 1064374583 /nfs/dbraw/zinc/37/45/83/1064374583.db2.gz XXXBEZWUODLVHH-XMMPIXPASA-N 1 0 492.672 2.539 20 30 JFEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC001291962211 1064576015 /nfs/dbraw/zinc/57/60/15/1064576015.db2.gz ACQJBAUASOGYKS-JTHBVZDNSA-N 1 0 478.645 2.794 20 30 JFEDRO CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001292077879 1064760386 /nfs/dbraw/zinc/76/03/86/1064760386.db2.gz VMQNOVCLWJXAHS-UGKGYDQZSA-N 1 0 454.571 2.573 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[N@H+](C)C(C)C ZINC001292116421 1064838214 /nfs/dbraw/zinc/83/82/14/1064838214.db2.gz BADNDGMBNRLCIP-UHFFFAOYSA-N 1 0 484.624 2.874 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001292117563 1064844354 /nfs/dbraw/zinc/84/43/54/1064844354.db2.gz LRAIDKSQVIAOGJ-JOCHJYFZSA-N 1 0 493.660 2.664 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001292117564 1064844429 /nfs/dbraw/zinc/84/44/29/1064844429.db2.gz LRAIDKSQVIAOGJ-QFIPXVFZSA-N 1 0 493.660 2.664 20 30 JFEDRO CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292276787 1065053316 /nfs/dbraw/zinc/05/33/16/1065053316.db2.gz UPEOMFASFWMBQB-HYBUGGRVSA-N 1 0 493.656 2.747 20 30 JFEDRO CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001292524107 1065248764 /nfs/dbraw/zinc/24/87/64/1065248764.db2.gz AXHYIKWINZPLFE-NZQKXSOJSA-N 1 0 451.619 2.510 20 30 JFEDRO CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001292991908 1065680070 /nfs/dbraw/zinc/68/00/70/1065680070.db2.gz ZRJOTLHRYWRWNA-UHFFFAOYSA-N 1 0 451.619 2.788 20 30 JFEDRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001293245336 1065909970 /nfs/dbraw/zinc/90/99/70/1065909970.db2.gz ZUYRKMPNEBOZQK-NRFANRHFSA-N 1 0 465.602 2.708 20 30 JFEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001293365201 1065970179 /nfs/dbraw/zinc/97/01/79/1065970179.db2.gz RTBIZDUIXKJPLG-QHCPKHFHSA-N 1 0 499.685 2.989 20 30 JFEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001293379086 1065982901 /nfs/dbraw/zinc/98/29/01/1065982901.db2.gz MMNZTOLUPUMBMQ-ACIOBRDBSA-N 1 0 468.602 2.843 20 30 JFEDRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001293853052 1066359306 /nfs/dbraw/zinc/35/93/06/1066359306.db2.gz SKPOHEOVQMJCHB-NFBKMPQASA-N 1 0 479.629 2.670 20 30 JFEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)c2ccccc21 ZINC001164680105 719665754 /nfs/dbraw/zinc/66/57/54/719665754.db2.gz CKKZINQXQGJRJH-GOSISDBHSA-N 1 0 462.554 2.955 20 30 JFEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1F ZINC001164738954 720706253 /nfs/dbraw/zinc/70/62/53/720706253.db2.gz LPXUJVUPUYLEKX-CVEARBPZSA-N 1 0 451.893 2.940 20 30 JFEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742106 720819302 /nfs/dbraw/zinc/81/93/02/720819302.db2.gz PWGLSMMMTAJYHT-BFYDXBDKSA-N 1 0 463.011 2.631 20 30 JFEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164753295 720971442 /nfs/dbraw/zinc/97/14/42/720971442.db2.gz BQODXTJDKSGDGE-UHFFFAOYSA-N 1 0 460.872 2.880 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772779 721165815 /nfs/dbraw/zinc/16/58/15/721165815.db2.gz WSZUSLIGHMSNGY-NHCUHLMSSA-N 1 0 451.647 2.789 20 30 JFEDRO CSc1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1C#N ZINC001164873375 721279035 /nfs/dbraw/zinc/27/90/35/721279035.db2.gz LRUQWDHQEQFRHZ-UHFFFAOYSA-N 1 0 480.638 2.744 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888622 721399644 /nfs/dbraw/zinc/39/96/44/721399644.db2.gz KMXGDWAWPQYBHC-MBSDFSHPSA-N 1 0 461.994 2.549 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890579 721422823 /nfs/dbraw/zinc/42/28/23/721422823.db2.gz TYLLOLMGZYJIMY-GJZUVCINSA-N 1 0 484.717 2.863 20 30 JFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC3)CC1 ZINC001164795171 721522113 /nfs/dbraw/zinc/52/21/13/721522113.db2.gz KXIAZOQYXFQIDY-UHFFFAOYSA-N 1 0 464.961 2.758 20 30 JFEDRO N#Cc1cccc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1Br ZINC001265063281 1059759729 /nfs/dbraw/zinc/75/97/29/1059759729.db2.gz IKKKPHNSNOZIJD-GOSISDBHSA-N 1 0 455.356 2.948 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+](C(C)C)C(C)C ZINC001286279431 1060037453 /nfs/dbraw/zinc/03/74/53/1060037453.db2.gz MGRWYKLTNVZTTQ-IBGZPJMESA-N 1 0 460.648 2.772 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286302202 1060053988 /nfs/dbraw/zinc/05/39/88/1060053988.db2.gz RMZXGQVLYJMMLN-RXVVDRJESA-N 1 0 473.021 2.911 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCC[C@H]1OC ZINC001286304547 1060057002 /nfs/dbraw/zinc/05/70/02/1060057002.db2.gz WWRUTKAOWQYQBH-WMTXJRDZSA-N 1 0 450.631 2.916 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001286308380 1060061393 /nfs/dbraw/zinc/06/13/93/1060061393.db2.gz ISMVYEJVYINYPM-PMACEKPBSA-N 1 0 479.629 2.593 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001286308848 1060062314 /nfs/dbraw/zinc/06/23/14/1060062314.db2.gz DYUSWLMXOHBZLX-XMMPIXPASA-N 1 0 487.608 2.753 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC001286308948 1060062521 /nfs/dbraw/zinc/06/25/21/1060062521.db2.gz MUMMIIXVMNLYSR-UHFFFAOYSA-N 1 0 465.646 2.658 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001286309310 1060063111 /nfs/dbraw/zinc/06/31/11/1060063111.db2.gz JREKDTNHNKVYAX-JNMBUGSCSA-N 1 0 491.640 2.796 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001286311974 1060072173 /nfs/dbraw/zinc/07/21/73/1060072173.db2.gz SNIVNEOFNHLMHP-UNMCSNQZSA-N 1 0 450.587 2.569 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001286312353 1060073800 /nfs/dbraw/zinc/07/38/00/1060073800.db2.gz WWQLVIJHEBEGMW-ZEQRLZLVSA-N 1 0 494.640 2.933 20 30 JFEDRO C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001286314836 1060075868 /nfs/dbraw/zinc/07/58/68/1060075868.db2.gz HQMIPEMYHZTHPW-KRWDZBQOSA-N 1 0 461.408 2.998 20 30 JFEDRO C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286333605 1060086979 /nfs/dbraw/zinc/08/69/79/1060086979.db2.gz AJGFWBKTSQBHQU-UHFFFAOYSA-N 1 0 468.577 2.544 20 30 JFEDRO C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001286342087 1060097290 /nfs/dbraw/zinc/09/72/90/1060097290.db2.gz LQLGHTXQOHBPIW-NRFANRHFSA-N 1 0 484.670 2.794 20 30 JFEDRO C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286342475 1060098029 /nfs/dbraw/zinc/09/80/29/1060098029.db2.gz QUTWQKGBAXRLPE-XUZZJYLKSA-N 1 0 494.640 2.973 20 30 JFEDRO C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286342476 1060098361 /nfs/dbraw/zinc/09/83/61/1060098361.db2.gz QUTWQKGBAXRLPE-ZJSXRUAMSA-N 1 0 494.640 2.973 20 30 JFEDRO C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC[NH+]1CCN(CC)CC1 ZINC001286367180 1060131288 /nfs/dbraw/zinc/13/12/88/1060131288.db2.gz KAYCQMHEPAHCGD-UHFFFAOYSA-N 1 0 475.435 2.813 20 30 JFEDRO C#CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001286379329 1060143454 /nfs/dbraw/zinc/14/34/54/1060143454.db2.gz NTMOQRSJUIBILL-XZOQPEGZSA-N 1 0 450.631 2.917 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382036 1060153145 /nfs/dbraw/zinc/15/31/45/1060153145.db2.gz IRPDZHLJTZXOMM-RZUBCFFCSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382375 1060154014 /nfs/dbraw/zinc/15/40/14/1060154014.db2.gz IZDDZPHMLICOLB-IFMALSPDSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286383416 1060161757 /nfs/dbraw/zinc/16/17/57/1060161757.db2.gz MMDNRFNQVOMLLK-SFHVURJKSA-N 1 0 481.569 2.513 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286388847 1060215840 /nfs/dbraw/zinc/21/58/40/1060215840.db2.gz VZNADOVSYBYLBC-IBGZPJMESA-N 1 0 459.616 2.738 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286389224 1060219326 /nfs/dbraw/zinc/21/93/26/1060219326.db2.gz ZMMZJXQOSORLOH-FCHUYYIVSA-N 1 0 455.628 2.619 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389611 1060221263 /nfs/dbraw/zinc/22/12/63/1060221263.db2.gz NGSLYHTWXPATOR-OAQYLSRUSA-N 1 0 470.643 2.541 20 30 JFEDRO C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CC[N@@H+](CC)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286390092 1060222885 /nfs/dbraw/zinc/22/28/85/1060222885.db2.gz WSOFWGGKGXRQAC-IBGZPJMESA-N 1 0 468.627 2.783 20 30 JFEDRO C#CCN(c1nnc(CC2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286390516 1060225879 /nfs/dbraw/zinc/22/58/79/1060225879.db2.gz BMDSSQXLDMJSHR-UGKGYDQZSA-N 1 0 469.655 2.987 20 30 JFEDRO C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CC[N@@H+](C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286390679 1060226780 /nfs/dbraw/zinc/22/67/80/1060226780.db2.gz DRQDKEAWVAVXSE-PZJWPPBQSA-N 1 0 482.654 2.707 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCC[N@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286391784 1060234003 /nfs/dbraw/zinc/23/40/03/1060234003.db2.gz DRBRFQFCBJYUPZ-XZOQPEGZSA-N 1 0 487.645 2.899 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286393891 1060244580 /nfs/dbraw/zinc/24/45/80/1060244580.db2.gz LIYQWUDWOUYBGV-NQIIRXRSSA-N 1 0 478.062 2.879 20 30 JFEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286393645 1060245581 /nfs/dbraw/zinc/24/55/81/1060245581.db2.gz RGFSVZZSUPEIOE-NQIIRXRSSA-N 1 0 490.699 2.525 20 30 JFEDRO C#CCN(c1nnc(Cc2ccsc2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286394188 1060248983 /nfs/dbraw/zinc/24/89/83/1060248983.db2.gz VECYESAMVNVAGP-FPOVZHCZSA-N 1 0 475.684 2.822 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCC[N@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286395239 1060256048 /nfs/dbraw/zinc/25/60/48/1060256048.db2.gz RSIZBYUNBRQHKZ-XZOQPEGZSA-N 1 0 469.655 2.678 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](CC)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286396243 1060261631 /nfs/dbraw/zinc/26/16/31/1060261631.db2.gz WJUOIEUXCMGCNX-GOTSBHOMSA-N 1 0 469.655 2.678 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286396440 1060262308 /nfs/dbraw/zinc/26/23/08/1060262308.db2.gz PTRQCUGARROEKH-FCHUYYIVSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CC[N@@H+](CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397997 1060271169 /nfs/dbraw/zinc/27/11/69/1060271169.db2.gz VTUUCPXQFFOYHG-VXKWHMMOSA-N 1 0 485.654 2.524 20 30 JFEDRO C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286399015 1060277889 /nfs/dbraw/zinc/27/78/89/1060277889.db2.gz WNHJADVKPONWSK-AKIFATBCSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286399016 1060278341 /nfs/dbraw/zinc/27/83/41/1060278341.db2.gz WNHJADVKPONWSK-MDNUFGMLSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001286400436 1060281192 /nfs/dbraw/zinc/28/11/92/1060281192.db2.gz GAQMPRFNDGKEFW-QFIPXVFZSA-N 1 0 495.697 2.987 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286401001 1060281785 /nfs/dbraw/zinc/28/17/85/1060281785.db2.gz HVWWDHHTQKUXDM-UHFFFAOYSA-N 1 0 469.431 2.806 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286408081 1060290359 /nfs/dbraw/zinc/29/03/59/1060290359.db2.gz BCJCDMRRDKQEHB-SANMLTNESA-N 1 0 489.649 2.746 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286408674 1060292362 /nfs/dbraw/zinc/29/23/62/1060292362.db2.gz FLRWRLOVVDCNOB-VXKWHMMOSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001286414046 1060299493 /nfs/dbraw/zinc/29/94/93/1060299493.db2.gz QZVJQQALNGUPLI-LEWJYISDSA-N 1 0 454.619 2.950 20 30 JFEDRO C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286414839 1060301271 /nfs/dbraw/zinc/30/12/71/1060301271.db2.gz BEJQJVAKMZXVOK-BGYRXZFFSA-N 1 0 453.562 2.957 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001286418403 1060305531 /nfs/dbraw/zinc/30/55/31/1060305531.db2.gz IIJNCTGZCQVQEU-LJQANCHMSA-N 1 0 451.571 2.776 20 30 JFEDRO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001286419361 1060307309 /nfs/dbraw/zinc/30/73/09/1060307309.db2.gz UHBYAGWWPHNPRT-OAQYLSRUSA-N 1 0 455.566 2.909 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001286422391 1060310431 /nfs/dbraw/zinc/31/04/31/1060310431.db2.gz LXEFAZGEJVXFGS-SANMLTNESA-N 1 0 462.598 2.745 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1 ZINC001286428160 1060317599 /nfs/dbraw/zinc/31/75/99/1060317599.db2.gz PXMUOTWUZYZXGS-FGZHOGPDSA-N 1 0 484.645 2.781 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001286428400 1060318824 /nfs/dbraw/zinc/31/88/24/1060318824.db2.gz MRISTXPWEFNEIY-JOCHJYFZSA-N 1 0 450.606 2.745 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001286430659 1060320938 /nfs/dbraw/zinc/32/09/38/1060320938.db2.gz IPSYZMVPCISGIJ-GOTSBHOMSA-N 1 0 467.639 2.726 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001286431909 1060322436 /nfs/dbraw/zinc/32/24/36/1060322436.db2.gz SPDWFAUTADONDY-DEOSSOPVSA-N 1 0 479.650 2.677 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001286432916 1060325199 /nfs/dbraw/zinc/32/51/99/1060325199.db2.gz CFJZJPAQOJLWST-ZEQRLZLVSA-N 1 0 483.657 2.748 20 30 JFEDRO C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286437635 1060328481 /nfs/dbraw/zinc/32/84/81/1060328481.db2.gz PLOULTXSQMEAOW-YIXXDRMTSA-N 1 0 480.657 2.989 20 30 JFEDRO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001286444828 1060332700 /nfs/dbraw/zinc/33/27/00/1060332700.db2.gz BXTGAGQDZJTVNF-QFIPXVFZSA-N 1 0 487.693 2.880 20 30 JFEDRO C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001286450747 1060335581 /nfs/dbraw/zinc/33/55/81/1060335581.db2.gz XRTKBPSQYONVOL-UHFFFAOYSA-N 1 0 492.649 2.734 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1CCC[NH+]1CCC(O)CC1 ZINC001286458397 1060340525 /nfs/dbraw/zinc/34/05/25/1060340525.db2.gz SSZGHMNSNBTLFC-UHFFFAOYSA-N 1 0 462.573 2.890 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C[NH+](C)C ZINC001286459020 1060341890 /nfs/dbraw/zinc/34/18/90/1060341890.db2.gz HOUFSRZYUDRBMB-UHFFFAOYSA-N 1 0 451.413 2.720 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001286462824 1060349776 /nfs/dbraw/zinc/34/97/76/1060349776.db2.gz XHIZLLWKDWEEIN-UHFFFAOYSA-N 1 0 487.674 2.589 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001286464229 1060352267 /nfs/dbraw/zinc/35/22/67/1060352267.db2.gz XFTNNOHPGGHMIL-UHFFFAOYSA-N 1 0 450.587 2.792 20 30 JFEDRO C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001286467597 1060355989 /nfs/dbraw/zinc/35/59/89/1060355989.db2.gz YNNYKYOUQUNKCN-QZTJIDSGSA-N 1 0 460.648 2.608 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286473674 1060376685 /nfs/dbraw/zinc/37/66/85/1060376685.db2.gz QKNLFRDJZVGJLI-PMACEKPBSA-N 1 0 488.583 2.801 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286474554 1060384919 /nfs/dbraw/zinc/38/49/19/1060384919.db2.gz MLTTWBWFZOSHPM-KRWDZBQOSA-N 1 0 475.410 2.944 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001286475578 1060390099 /nfs/dbraw/zinc/39/00/99/1060390099.db2.gz BVUDNHRROBRMSW-UHFFFAOYSA-N 1 0 454.594 2.729 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286476321 1060392505 /nfs/dbraw/zinc/39/25/05/1060392505.db2.gz TXLYNCOYNSPHHC-UHFFFAOYSA-N 1 0 487.446 2.575 20 30 JFEDRO C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286482613 1060406647 /nfs/dbraw/zinc/40/66/47/1060406647.db2.gz UQJNKILDTMGFES-UHFFFAOYSA-N 1 0 450.631 2.755 20 30 JFEDRO C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286483382 1060407781 /nfs/dbraw/zinc/40/77/81/1060407781.db2.gz INZGXVCRCJVFTJ-VWLOTQADSA-N 1 0 464.658 2.565 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001286483889 1060411390 /nfs/dbraw/zinc/41/13/90/1060411390.db2.gz CIICBMYEDODFGU-JOCHJYFZSA-N 1 0 466.630 2.743 20 30 JFEDRO C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001286484612 1060418381 /nfs/dbraw/zinc/41/83/81/1060418381.db2.gz SVVSLOOTFQFVEW-HXUWFJFHSA-N 1 0 452.534 2.647 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001286486242 1060433626 /nfs/dbraw/zinc/43/36/26/1060433626.db2.gz DPDQFDOWXMVMFZ-UHFFFAOYSA-N 1 0 499.059 2.800 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001286487627 1060443347 /nfs/dbraw/zinc/44/33/47/1060443347.db2.gz OYCIVTVIIFRAIZ-HXUWFJFHSA-N 1 0 493.612 2.941 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286488793 1060454364 /nfs/dbraw/zinc/45/43/64/1060454364.db2.gz UIEHOXGBYZNXBE-UHFFFAOYSA-N 1 0 486.567 2.997 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286489413 1060462929 /nfs/dbraw/zinc/46/29/29/1060462929.db2.gz RKAFGZQXPPABSR-XMMPIXPASA-N 1 0 478.641 2.576 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001286489434 1060463985 /nfs/dbraw/zinc/46/39/85/1060463985.db2.gz SFZRTBQHGSLZFS-UHFFFAOYSA-N 1 0 470.021 2.835 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001286489509 1060464911 /nfs/dbraw/zinc/46/49/11/1060464911.db2.gz VNCSAJBYZFGPHN-HXUWFJFHSA-N 1 0 452.578 2.924 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3c[nH]c4ccccc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286490301 1060473808 /nfs/dbraw/zinc/47/38/08/1060473808.db2.gz JQUYATOXQHNXMZ-UHFFFAOYSA-N 1 0 461.614 2.980 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286491900 1060491181 /nfs/dbraw/zinc/49/11/81/1060491181.db2.gz BLXSAGLFPUWJLT-URVUXULASA-N 1 0 456.635 2.606 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286491966 1060491877 /nfs/dbraw/zinc/49/18/77/1060491877.db2.gz BVAILHJEMLPEDJ-XZOQPEGZSA-N 1 0 470.662 2.648 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001286492797 1060498671 /nfs/dbraw/zinc/49/86/71/1060498671.db2.gz PXTVTEFTXOWVFC-DEOSSOPVSA-N 1 0 478.641 2.617 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286493592 1060503162 /nfs/dbraw/zinc/50/31/62/1060503162.db2.gz OCMJMQGLIGKMAF-BJKOFHAPSA-N 1 0 478.641 2.613 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286494433 1060507077 /nfs/dbraw/zinc/50/70/77/1060507077.db2.gz OTTPBPJEHOJULJ-GOTSBHOMSA-N 1 0 491.684 2.988 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286495357 1060512186 /nfs/dbraw/zinc/51/21/86/1060512186.db2.gz ZIYWCMBPGXSYBK-GGAORHGYSA-N 1 0 482.604 2.580 20 30 JFEDRO C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286507673 1060536596 /nfs/dbraw/zinc/53/65/96/1060536596.db2.gz CLHSCXNFORVETN-NZQKXSOJSA-N 1 0 472.703 2.756 20 30 JFEDRO C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286507680 1060536919 /nfs/dbraw/zinc/53/69/19/1060536919.db2.gz CLHSCXNFORVETN-REWPJTCUSA-N 1 0 472.703 2.756 20 30 JFEDRO C#CCSCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](OC)C1 ZINC001286509285 1060541140 /nfs/dbraw/zinc/54/11/40/1060541140.db2.gz YEQOOADSRRTESW-HSZRJFAPSA-N 1 0 468.671 2.624 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CC1([NH+](C)C)CCOCC1 ZINC001286528584 1060560568 /nfs/dbraw/zinc/56/05/68/1060560568.db2.gz HAAMUWZXZFZKKT-XMMPIXPASA-N 1 0 453.587 2.969 20 30 JFEDRO C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001286530246 1060562770 /nfs/dbraw/zinc/56/27/70/1060562770.db2.gz JXJLJDPNXSHAKB-UHFFFAOYSA-N 1 0 461.408 2.690 20 30 JFEDRO C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286533590 1060570154 /nfs/dbraw/zinc/57/01/54/1060570154.db2.gz YFBWQOIRJUOQLZ-GOSISDBHSA-N 1 0 477.382 2.736 20 30 JFEDRO C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001286541946 1060586346 /nfs/dbraw/zinc/58/63/46/1060586346.db2.gz GKDDTWFYJJIXKX-INIZCTEOSA-N 1 0 497.463 2.725 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286547624 1060597399 /nfs/dbraw/zinc/59/73/99/1060597399.db2.gz PGXBGIAEBMTSFE-ADHNFCLRSA-N 1 0 458.651 2.762 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001286561747 1060637747 /nfs/dbraw/zinc/63/77/47/1060637747.db2.gz OHOZGLRVGSQGFB-SJBKTWHCSA-N 1 0 455.607 2.653 20 30 JFEDRO C=C(C)CN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001286583013 1060672088 /nfs/dbraw/zinc/67/20/88/1060672088.db2.gz FURUQCXCZBUDNL-AREMUKBSSA-N 1 0 465.646 2.524 20 30 JFEDRO C=C(C)CN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001286583015 1060673193 /nfs/dbraw/zinc/67/31/93/1060673193.db2.gz FURUQCXCZBUDNL-SANMLTNESA-N 1 0 465.646 2.524 20 30 JFEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(CC(F)F)CC1 ZINC001286596090 1060695829 /nfs/dbraw/zinc/69/58/29/1060695829.db2.gz TYXKEFXAQGZJGP-UHFFFAOYSA-N 1 0 459.589 2.606 20 30 JFEDRO C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001286602978 1060705557 /nfs/dbraw/zinc/70/55/57/1060705557.db2.gz HRNFKHBQAKLURA-JOCHJYFZSA-N 1 0 450.587 2.958 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604250 1060708178 /nfs/dbraw/zinc/70/81/78/1060708178.db2.gz HKFSJVQOGAWAOF-BWKNWUBXSA-N 1 0 496.656 2.925 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604255 1060708899 /nfs/dbraw/zinc/70/88/99/1060708899.db2.gz QNPGCIWBNCZLBI-BWKNWUBXSA-N 1 0 491.640 2.788 20 30 JFEDRO C=C(Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC001286618992 1060734278 /nfs/dbraw/zinc/73/42/78/1060734278.db2.gz LAUYKKPFKRUBNQ-QPPBQGQZSA-N 1 0 466.630 2.907 20 30 JFEDRO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286619616 1060735851 /nfs/dbraw/zinc/73/58/51/1060735851.db2.gz BQQJZVWJIQAWRG-OKZBNKHCSA-N 1 0 459.060 2.732 20 30 JFEDRO C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286626441 1060744660 /nfs/dbraw/zinc/74/46/60/1060744660.db2.gz WNTHKUFWJIPCQM-SFHVURJKSA-N 1 0 461.010 2.931 20 30 JFEDRO C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001286626853 1060745770 /nfs/dbraw/zinc/74/57/70/1060745770.db2.gz LPPPAGNKOOZNSR-GOSISDBHSA-N 1 0 496.081 2.928 20 30 JFEDRO C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286634420 1060755281 /nfs/dbraw/zinc/75/52/81/1060755281.db2.gz UCYHDKNREBUIMY-UHFFFAOYSA-N 1 0 458.994 2.662 20 30 JFEDRO C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001286637828 1060758285 /nfs/dbraw/zinc/75/82/85/1060758285.db2.gz NNAHTNOKPQDUCR-SIKLNZKXSA-N 1 0 488.658 2.890 20 30 JFEDRO C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286640349 1060760590 /nfs/dbraw/zinc/76/05/90/1060760590.db2.gz IZABYGAKEWNZTN-UHFFFAOYSA-N 1 0 458.632 2.836 20 30 JFEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001286652550 1060768964 /nfs/dbraw/zinc/76/89/64/1060768964.db2.gz YVRWPVYWNQTJIO-PKOBYXMFSA-N 1 0 462.620 2.721 20 30 JFEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001286654345 1060771429 /nfs/dbraw/zinc/77/14/29/1060771429.db2.gz GTTLFHBOGQVUFD-UHFFFAOYSA-N 1 0 487.670 2.986 20 30 JFEDRO C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286674910 1060788946 /nfs/dbraw/zinc/78/89/46/1060788946.db2.gz KAZUTQFWJAIYCM-LJQANCHMSA-N 1 0 499.685 2.615 20 30 JFEDRO C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001286688341 1060800724 /nfs/dbraw/zinc/80/07/24/1060800724.db2.gz QUSUCPLOSXQUOJ-NRFANRHFSA-N 1 0 478.707 2.531 20 30 JFEDRO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286710769 1060829533 /nfs/dbraw/zinc/82/95/33/1060829533.db2.gz CWOBSBPKHNFKJV-HYBUGGRVSA-N 1 0 481.645 2.620 20 30 JFEDRO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286711722 1060832689 /nfs/dbraw/zinc/83/26/89/1060832689.db2.gz RWBTVEFAQHRHON-QFIPXVFZSA-N 1 0 453.635 2.846 20 30 JFEDRO C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001286756733 1060883230 /nfs/dbraw/zinc/88/32/30/1060883230.db2.gz UBSSDODCBCAIRC-UHFFFAOYSA-N 1 0 490.656 2.879 20 30 JFEDRO C=CCN(CC=C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCSCC1 ZINC001286758161 1060886109 /nfs/dbraw/zinc/88/61/09/1060886109.db2.gz FSASNAUIPRASON-IBGZPJMESA-N 1 0 478.663 2.814 20 30 JFEDRO C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001286788270 1060945494 /nfs/dbraw/zinc/94/54/94/1060945494.db2.gz SWSWNCIBKLTJKJ-IFMALSPDSA-N 1 0 452.603 2.923 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001286790041 1060950901 /nfs/dbraw/zinc/95/09/01/1060950901.db2.gz BIVMEHFYTTUUOQ-QFIPXVFZSA-N 1 0 468.602 2.649 20 30 JFEDRO C=CCOc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286794640 1060969080 /nfs/dbraw/zinc/96/90/80/1060969080.db2.gz MYBZPKQXHJKOTC-NTKDMRAZSA-N 1 0 452.603 2.579 20 30 JFEDRO C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286796878 1060975121 /nfs/dbraw/zinc/97/51/21/1060975121.db2.gz YAVKHCJNCACSNX-LJQANCHMSA-N 1 0 490.674 2.812 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001286799726 1060983988 /nfs/dbraw/zinc/98/39/88/1060983988.db2.gz ZGUYZTBEGCGQNK-YADHBBJMSA-N 1 0 468.602 2.607 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001286799725 1060984036 /nfs/dbraw/zinc/98/40/36/1060984036.db2.gz ZGUYZTBEGCGQNK-VXKWHMMOSA-N 1 0 468.602 2.607 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001286815496 1061017807 /nfs/dbraw/zinc/01/78/07/1061017807.db2.gz AFGVZTAKQVDGNC-UHFFFAOYSA-N 1 0 453.012 2.561 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001286822600 1061057760 /nfs/dbraw/zinc/05/77/60/1061057760.db2.gz LGFIWRUQAAHWMW-LJQANCHMSA-N 1 0 478.688 2.547 20 30 JFEDRO C=CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001286826434 1061073781 /nfs/dbraw/zinc/07/37/81/1061073781.db2.gz HPWPYBDEKQDQCV-UHFFFAOYSA-N 1 0 490.699 2.789 20 30 JFEDRO C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286828426 1061076079 /nfs/dbraw/zinc/07/60/79/1061076079.db2.gz MSGBKFFREZVCEI-SIKLNZKXSA-N 1 0 469.659 2.638 20 30 JFEDRO C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286830824 1061078712 /nfs/dbraw/zinc/07/87/12/1061078712.db2.gz VKHJSZNOSXAMAO-DENIHFKCSA-N 1 0 469.659 2.638 20 30 JFEDRO Cc1ccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001289824666 1061491279 /nfs/dbraw/zinc/49/12/79/1061491279.db2.gz LZLXTWAVOXKENC-HXUWFJFHSA-N 1 0 460.586 2.709 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001286959806 1061730552 /nfs/dbraw/zinc/73/05/52/1061730552.db2.gz AXWARJAWLILYSQ-XLIONFOSSA-N 1 0 485.614 2.687 20 30 JFEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001286964578 1061739002 /nfs/dbraw/zinc/73/90/02/1061739002.db2.gz CFCWLTSSBLSRMQ-MOPGFXCFSA-N 1 0 472.663 2.954 20 30 JFEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001294228106 1061743097 /nfs/dbraw/zinc/74/30/97/1061743097.db2.gz AOVVQCUBRNHOBG-NLFFAJNJSA-N 1 0 468.602 2.845 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001286969078 1061744741 /nfs/dbraw/zinc/74/47/41/1061744741.db2.gz DHCZICPYRYNEIY-GOSISDBHSA-N 1 0 455.632 2.970 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001286970147 1061746555 /nfs/dbraw/zinc/74/65/55/1061746555.db2.gz UUSYBKYNWRLSAF-FCHUYYIVSA-N 1 0 451.619 2.980 20 30 JFEDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286976741 1061786660 /nfs/dbraw/zinc/78/66/60/1061786660.db2.gz GJXCSSQEEDNDLB-HYFFOGBASA-N 1 0 476.672 2.512 20 30 JFEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 ZINC001294318622 1061818241 /nfs/dbraw/zinc/81/82/41/1061818241.db2.gz UTZOTRQERHCJSQ-MOPGFXCFSA-N 1 0 471.631 2.653 20 30 JFEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001294460531 1062008505 /nfs/dbraw/zinc/00/85/05/1062008505.db2.gz FRMCKPQRBFMRPP-RSTPCFTMSA-N 1 0 463.586 2.640 20 30 JFEDRO Cc1cnn(C[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)CCO2)c1 ZINC001290280997 1062012020 /nfs/dbraw/zinc/01/20/20/1062012020.db2.gz WORWYHFUIZHHEE-QHCPKHFHSA-N 1 0 492.628 2.727 20 30 JFEDRO CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287045422 1062023752 /nfs/dbraw/zinc/02/37/52/1062023752.db2.gz SMMKZANBNFVPHR-NRFANRHFSA-N 1 0 479.629 2.670 20 30 JFEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(Cc2noc(C)n2)CC1 ZINC001294506202 1062043688 /nfs/dbraw/zinc/04/36/88/1062043688.db2.gz HVZLNNOULLEHAU-UHFFFAOYSA-N 1 0 477.617 2.952 20 30 JFEDRO CCC[N@H+](CC)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001294523534 1062059857 /nfs/dbraw/zinc/05/98/57/1062059857.db2.gz WAXTVHTZFKQANY-UHFFFAOYSA-N 1 0 493.635 2.980 20 30 JFEDRO CC(C)(C)OC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001287053787 1062062040 /nfs/dbraw/zinc/06/20/40/1062062040.db2.gz BMUCQZXDMNLKIB-UHFFFAOYSA-N 1 0 495.628 2.721 20 30 JFEDRO Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001290401906 1062106379 /nfs/dbraw/zinc/10/63/79/1062106379.db2.gz USRKUMPZEPXLRZ-UHFFFAOYSA-N 1 0 456.550 2.679 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001294666559 1062219762 /nfs/dbraw/zinc/21/97/62/1062219762.db2.gz GDTCNHDRGFQLFV-UHFFFAOYSA-N 1 0 465.602 2.519 20 30 JFEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294700432 1062265630 /nfs/dbraw/zinc/26/56/30/1062265630.db2.gz SOVRLLWHJWEEJK-RTWAWAEBSA-N 1 0 456.616 2.705 20 30 JFEDRO Cc1nccnc1N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001290537710 1062338596 /nfs/dbraw/zinc/33/85/96/1062338596.db2.gz JDLLKUASAURENN-UHFFFAOYSA-N 1 0 459.602 2.972 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CC[NH+](C(C)C)C(C)C)CC2)c1C#N ZINC001290576782 1062380754 /nfs/dbraw/zinc/38/07/54/1062380754.db2.gz IRLILQMCFQHRHW-UHFFFAOYSA-N 1 0 453.639 2.905 20 30 JFEDRO CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001294850312 1062550442 /nfs/dbraw/zinc/55/04/42/1062550442.db2.gz PNDBQEMJWPGMBC-UHFFFAOYSA-N 1 0 472.597 2.840 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287158767 1062553593 /nfs/dbraw/zinc/55/35/93/1062553593.db2.gz VVETUNPOYUVAIZ-YADHBBJMSA-N 1 0 470.643 2.951 20 30 JFEDRO CCCNC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C)(C#N)CC1 ZINC001294864327 1062572213 /nfs/dbraw/zinc/57/22/13/1062572213.db2.gz UIYMNNPXSWFBMO-UHFFFAOYSA-N 1 0 492.672 2.689 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294933744 1062710125 /nfs/dbraw/zinc/71/01/25/1062710125.db2.gz CIPQEIXNXFDOBH-JWQCQUIFSA-N 1 0 468.602 2.939 20 30 JFEDRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001287280405 1062756202 /nfs/dbraw/zinc/75/62/02/1062756202.db2.gz PIFJHAORECLCGQ-GOTSBHOMSA-N 1 0 479.629 2.621 20 30 JFEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CN2CCOCC2)C1)[NH+](C)C ZINC001287321555 1062798613 /nfs/dbraw/zinc/79/86/13/1062798613.db2.gz JCOQPDKXEICQKC-VWNXMTODSA-N 1 0 465.646 2.952 20 30 JFEDRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001287329534 1062806367 /nfs/dbraw/zinc/80/63/67/1062806367.db2.gz FVOBORPCOKUCFI-FGZHOGPDSA-N 1 0 466.634 2.742 20 30 JFEDRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295018526 1062818784 /nfs/dbraw/zinc/81/87/84/1062818784.db2.gz ZCFQSJUFUBHNGV-UHFFFAOYSA-N 1 0 499.685 2.991 20 30 JFEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 ZINC001291011625 1062912521 /nfs/dbraw/zinc/91/25/21/1062912521.db2.gz MXHCAKXEYNHKJF-SBHAEUEKSA-N 1 0 462.664 2.678 20 30 JFEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001291012632 1062917464 /nfs/dbraw/zinc/91/74/64/1062917464.db2.gz BZPAFAZEUDROQK-SZPZYZBQSA-N 1 0 465.646 2.953 20 30 JFEDRO N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)CC2)c(F)c1 ZINC001295148238 1062969093 /nfs/dbraw/zinc/96/90/93/1062969093.db2.gz YFHAOBWCDINGLW-ISKFKSNPSA-N 1 0 450.558 2.913 20 30 JFEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 ZINC001291052161 1062983402 /nfs/dbraw/zinc/98/34/02/1062983402.db2.gz OYBINPVWZVZKDT-SZPZYZBQSA-N 1 0 465.646 2.974 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295165394 1062988908 /nfs/dbraw/zinc/98/89/08/1062988908.db2.gz QJRQTQYFJNUZJJ-GHTZIAJQSA-N 1 0 456.616 2.562 20 30 JFEDRO C[C@@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)([NH+](C)C)C1 ZINC001291066237 1063011993 /nfs/dbraw/zinc/01/19/93/1063011993.db2.gz KYAZTRJZOXNONP-ZHRMCQFGSA-N 1 0 470.643 2.951 20 30 JFEDRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291097402 1063060159 /nfs/dbraw/zinc/06/01/59/1063060159.db2.gz URMLAMPKLPWTMO-NRFANRHFSA-N 1 0 479.629 2.766 20 30 JFEDRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001291099918 1063066724 /nfs/dbraw/zinc/06/67/24/1063066724.db2.gz PGMNOPPUHVQPSF-PMACEKPBSA-N 1 0 465.602 2.660 20 30 JFEDRO CCN(c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+](C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295250623 1063069406 /nfs/dbraw/zinc/06/94/06/1063069406.db2.gz RIPFLDZQBAFTRU-OAQYLSRUSA-N 1 0 486.642 2.617 20 30 JFEDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001291102234 1063075853 /nfs/dbraw/zinc/07/58/53/1063075853.db2.gz JOEQTOUJPOSULE-NRFANRHFSA-N 1 0 492.672 2.537 20 30 JFEDRO CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)[C@@H](C)C1=O ZINC001287752590 1063081347 /nfs/dbraw/zinc/08/13/47/1063081347.db2.gz NOWQZXZLIMKLJQ-URXFXBBRSA-N 1 0 493.656 2.867 20 30 JFEDRO CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295267049 1063085228 /nfs/dbraw/zinc/08/52/28/1063085228.db2.gz PIVDUXAPIBZCOJ-FQEVSTJZSA-N 1 0 499.685 2.799 20 30 JFEDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001291124205 1063141481 /nfs/dbraw/zinc/14/14/81/1063141481.db2.gz ZKWBMSNZHIUQQS-FPOVZHCZSA-N 1 0 486.642 2.589 20 30 JFEDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001291124216 1063142443 /nfs/dbraw/zinc/14/24/43/1063142443.db2.gz ZPLCEVLOVALQFC-FQEVSTJZSA-N 1 0 479.629 2.800 20 30 JFEDRO C[C@H]1CCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001291138146 1063199931 /nfs/dbraw/zinc/19/99/31/1063199931.db2.gz DMOPTPAWWXDPNF-FQEVSTJZSA-N 1 0 479.629 2.908 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295358989 1063317427 /nfs/dbraw/zinc/31/74/27/1063317427.db2.gz SUJXGHKGANBAMT-AVRDEDQJSA-N 1 0 499.063 2.768 20 30 JFEDRO CC[NH+](CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295397634 1063384379 /nfs/dbraw/zinc/38/43/79/1063384379.db2.gz PMLMJSKSAYKLFV-OAQYLSRUSA-N 1 0 476.585 2.954 20 30 JFEDRO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H](C)O1 ZINC001291223187 1063462637 /nfs/dbraw/zinc/46/26/37/1063462637.db2.gz BIXUOLABCPTTEE-WOJBJXKFSA-N 1 0 451.619 2.704 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 ZINC001295474522 1063481129 /nfs/dbraw/zinc/48/11/29/1063481129.db2.gz BGKKJCDFJPRRHM-RUZDIDTESA-N 1 0 468.602 2.845 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001295482308 1063499760 /nfs/dbraw/zinc/49/97/60/1063499760.db2.gz JJKIIQJHDXSQJB-GOTSBHOMSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001295482309 1063499854 /nfs/dbraw/zinc/49/98/54/1063499854.db2.gz JJKIIQJHDXSQJB-PKTZIBPZSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CC1 ZINC001295482370 1063500397 /nfs/dbraw/zinc/50/03/97/1063500397.db2.gz LUHMESXMNLCAOX-FQEVSTJZSA-N 1 0 467.643 2.560 20 30 JFEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001295510387 1063545290 /nfs/dbraw/zinc/54/52/90/1063545290.db2.gz YEQHEHACWSSOIO-NKWDDMGQSA-N 1 0 467.574 2.541 20 30 JFEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 ZINC001295512600 1063547433 /nfs/dbraw/zinc/54/74/33/1063547433.db2.gz VYSDQNAWMMJKSO-HXUWFJFHSA-N 1 0 461.570 2.894 20 30 JFEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287549 1063639684 /nfs/dbraw/zinc/63/96/84/1063639684.db2.gz DNLNMYNIJPIKOU-AQNXPRMDSA-N 1 0 472.565 2.787 20 30 JFEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288394 1063648423 /nfs/dbraw/zinc/64/84/23/1063648423.db2.gz RMAZONHNMWNXEE-WOIUINJBSA-N 1 0 472.565 2.787 20 30 JFEDRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC001291288845 1063653100 /nfs/dbraw/zinc/65/31/00/1063653100.db2.gz ZGLPGRNFQWWTGM-YDIMBITNSA-N 1 0 466.590 2.555 20 30 JFEDRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291289536 1063657529 /nfs/dbraw/zinc/65/75/29/1063657529.db2.gz LXBRKJSDRCASBQ-HXUWFJFHSA-N 1 0 467.618 2.526 20 30 JFEDRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001295651219 1063694572 /nfs/dbraw/zinc/69/45/72/1063694572.db2.gz GIYIGDJLOFSYAH-QHCPKHFHSA-N 1 0 462.602 2.934 20 30 JFEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001291339463 1063812967 /nfs/dbraw/zinc/81/29/67/1063812967.db2.gz OHJFFQOHBCFIFY-DHIUTWEWSA-N 1 0 479.629 2.669 20 30 JFEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)CCC(F)(F)F ZINC001295834481 1063850760 /nfs/dbraw/zinc/85/07/60/1063850760.db2.gz VMJLWBRNXHPVIM-UHFFFAOYSA-N 1 0 463.508 2.793 20 30 JFEDRO CC[N@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)C(C)C ZINC001295855337 1063884615 /nfs/dbraw/zinc/88/46/15/1063884615.db2.gz CRTNUYJKBHVZRJ-MBSDFSHPSA-N 1 0 479.601 2.759 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)CCC(F)(F)F ZINC001295866181 1063899472 /nfs/dbraw/zinc/89/94/72/1063899472.db2.gz VOYLGTJAKVSKOV-GOSISDBHSA-N 1 0 470.471 2.999 20 30 JFEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1)C1CC1 ZINC001295866471 1063900940 /nfs/dbraw/zinc/90/09/40/1063900940.db2.gz XSJOQTSKRUCZAE-IBGZPJMESA-N 1 0 452.559 2.602 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001295878588 1063920544 /nfs/dbraw/zinc/92/05/44/1063920544.db2.gz SFCRUPABEHTIPG-IBGZPJMESA-N 1 0 458.632 2.808 20 30 JFEDRO CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2CC[NH+](CCN(C)C)CC2)cn1 ZINC001295908859 1063962529 /nfs/dbraw/zinc/96/25/29/1063962529.db2.gz APEWYDWQSQJOCA-UHFFFAOYSA-N 1 0 475.645 2.943 20 30 JFEDRO CC[C@@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001291413787 1063990006 /nfs/dbraw/zinc/99/00/06/1063990006.db2.gz PQHOLKWFCUMFBC-OFNKIYASSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296012432 1064073085 /nfs/dbraw/zinc/07/30/85/1064073085.db2.gz STACESSPSHKDIY-OALUTQOASA-N 1 0 467.618 2.810 20 30 JFEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296012435 1064073117 /nfs/dbraw/zinc/07/31/17/1064073117.db2.gz STACESSPSHKDIY-RBUKOAKNSA-N 1 0 467.618 2.810 20 30 JFEDRO CC[NH+]1CCC(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296021925 1064082854 /nfs/dbraw/zinc/08/28/54/1064082854.db2.gz NIFRIJTUCLUPHR-KRWDZBQOSA-N 1 0 462.396 2.886 20 30 JFEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001296030781 1064088352 /nfs/dbraw/zinc/08/83/52/1064088352.db2.gz LKRCKXIMXUBJKG-NRFANRHFSA-N 1 0 466.586 2.850 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)C1 ZINC001296032665 1064090055 /nfs/dbraw/zinc/09/00/55/1064090055.db2.gz BLJBYHIGPUANFY-IBGZPJMESA-N 1 0 455.994 2.943 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291605276 1064140650 /nfs/dbraw/zinc/14/06/50/1064140650.db2.gz ICOOBWHLUAMGKT-VXKWHMMOSA-N 1 0 479.677 2.658 20 30 JFEDRO CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291610884 1064148656 /nfs/dbraw/zinc/14/86/56/1064148656.db2.gz RHGBTWPHNOLMJS-URXFXBBRSA-N 1 0 492.672 2.933 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001296088372 1064158146 /nfs/dbraw/zinc/15/81/46/1064158146.db2.gz KTILJUWXINLHDE-NHCUHLMSSA-N 1 0 456.616 2.705 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291622247 1064162939 /nfs/dbraw/zinc/16/29/39/1064162939.db2.gz XONRPGFRKYAZFF-WZONZLPQSA-N 1 0 454.648 2.822 20 30 JFEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 ZINC001296094427 1064166617 /nfs/dbraw/zinc/16/66/17/1064166617.db2.gz ABFTVRWLWVYWHP-OAQYLSRUSA-N 1 0 465.602 2.695 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001291772325 1064255502 /nfs/dbraw/zinc/25/55/02/1064255502.db2.gz OEAXTCHKEKELPM-VQTJNVASSA-N 1 0 474.617 2.756 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 ZINC001291774136 1064262609 /nfs/dbraw/zinc/26/26/09/1064262609.db2.gz LWAZOGFURGCAAK-LJQANCHMSA-N 1 0 451.623 2.922 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001291783662 1064277749 /nfs/dbraw/zinc/27/77/49/1064277749.db2.gz ORHLFNLVJHXOSM-WIYYLYMNSA-N 1 0 453.591 2.564 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001291783654 1064277815 /nfs/dbraw/zinc/27/78/15/1064277815.db2.gz ORHLFNLVJHXOSM-GHTZIAJQSA-N 1 0 453.591 2.564 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296197457 1064374153 /nfs/dbraw/zinc/37/41/53/1064374153.db2.gz WJHCWNGKOWFXOF-UHFFFAOYSA-N 1 0 461.618 2.604 20 30 JFEDRO CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c2ccccc2c1=O ZINC001296214277 1064411781 /nfs/dbraw/zinc/41/17/81/1064411781.db2.gz KNBQXSHFOUTVFL-AABGKKOBSA-N 1 0 492.628 2.770 20 30 JFEDRO CC[C@@H](c1nnc(N2CCO[C@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291898869 1064529734 /nfs/dbraw/zinc/52/97/34/1064529734.db2.gz IJRCLVTTWNBWLU-DNVJHFABSA-N 1 0 452.603 2.786 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001292032676 1064690575 /nfs/dbraw/zinc/69/05/75/1064690575.db2.gz FUXOENGZMDUDAV-UHFFFAOYSA-N 1 0 459.639 2.826 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292134206 1064892672 /nfs/dbraw/zinc/89/26/72/1064892672.db2.gz QTDDDFXEAGPOBH-GOTSBHOMSA-N 1 0 479.629 2.762 20 30 JFEDRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001292160752 1064943821 /nfs/dbraw/zinc/94/38/21/1064943821.db2.gz CMOGCYRJRANJCZ-FCHUYYIVSA-N 1 0 465.602 2.740 20 30 JFEDRO CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001292524111 1065248722 /nfs/dbraw/zinc/24/87/22/1065248722.db2.gz AXHYIKWINZPLFE-REWPJTCUSA-N 1 0 451.619 2.510 20 30 JFEDRO CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001292599600 1065320164 /nfs/dbraw/zinc/32/01/64/1065320164.db2.gz XVVDWWYLOIIIOH-GBXCKJPGSA-N 1 0 456.566 2.708 20 30 JFEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001292663561 1065399108 /nfs/dbraw/zinc/39/91/08/1065399108.db2.gz YZULUPNFDFEZGE-QWFCFKBJSA-N 1 0 458.006 2.582 20 30 JFEDRO CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[NH+](CCOC(C)C)CC2)no1 ZINC001292703154 1065459035 /nfs/dbraw/zinc/45/90/35/1065459035.db2.gz YMUJOSBSEYPXKQ-UHFFFAOYSA-N 1 0 464.574 2.552 20 30 JFEDRO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC001292766390 1065521199 /nfs/dbraw/zinc/52/11/99/1065521199.db2.gz LKPFCHFAENWHKT-SFHVURJKSA-N 1 0 452.983 2.630 20 30 JFEDRO Cc1ccc(N(CCC(=O)NC2(C#N)CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001292882186 1065584551 /nfs/dbraw/zinc/58/45/51/1065584551.db2.gz YQRFTOOOOASEQK-UHFFFAOYSA-N 1 0 454.596 2.993 20 30 JFEDRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293242441 1065904314 /nfs/dbraw/zinc/90/43/14/1065904314.db2.gz LEWUOBMTTOEHNL-UNMCSNQZSA-N 1 0 465.602 2.564 20 30 JFEDRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC1CC[NH+](CC)CC1 ZINC001293244974 1065909054 /nfs/dbraw/zinc/90/90/54/1065909054.db2.gz YHHDZXAUSILPQX-JOCHJYFZSA-N 1 0 465.602 2.566 20 30 JFEDRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001293245338 1065910009 /nfs/dbraw/zinc/91/00/09/1065910009.db2.gz ZUYRKMPNEBOZQK-OAQYLSRUSA-N 1 0 465.602 2.708 20 30 JFEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001293742097 1066207101 /nfs/dbraw/zinc/20/71/01/1066207101.db2.gz ITFZABRUVQZGGW-PKTZIBPZSA-N 1 0 479.629 2.549 20 30 JFEDRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001293852216 1066358213 /nfs/dbraw/zinc/35/82/13/1066358213.db2.gz QJEOBTXTRNAQKU-GGAORHGYSA-N 1 0 493.656 2.918 20 30 JFEDRO CCC[C@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001293866931 1066379233 /nfs/dbraw/zinc/37/92/33/1066379233.db2.gz IYYUQTQEZBEAIY-RBBKRZOGSA-N 1 0 479.629 2.956 20 30 JFEDRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)cc2)CC1 ZINC001294064063 1066535070 /nfs/dbraw/zinc/53/50/70/1066535070.db2.gz HNCOTOHTQSYGKU-HXUWFJFHSA-N 1 0 451.546 2.789 20 30 JFEDRO CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294069904 1066540460 /nfs/dbraw/zinc/54/04/60/1066540460.db2.gz ZQTDIJWHQILJRB-RDGATRHJSA-N 1 0 468.602 2.559 20 30 JFEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4[nH]cc(C#N)c43)CC2)c2ccccc21 ZINC001164681445 719656384 /nfs/dbraw/zinc/65/63/84/719656384.db2.gz PDECKSXEOBZSFT-GOSISDBHSA-N 1 0 457.582 2.923 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837736 720607848 /nfs/dbraw/zinc/60/78/48/720607848.db2.gz IVQRTNYAZAZNOS-GLHSZLCASA-N 1 0 473.581 2.984 20 30 JFEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164837738 720607957 /nfs/dbraw/zinc/60/79/57/720607957.db2.gz IVQRTNYAZAZNOS-XFGYDDDFSA-N 1 0 473.581 2.984 20 30 JFEDRO N#Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164750338 720857782 /nfs/dbraw/zinc/85/77/82/720857782.db2.gz PMFLBXVTDTUGJJ-QMHWCDLVSA-N 1 0 458.526 2.986 20 30 JFEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](CCOC)CCO[C@H]2C1 ZINC001164851500 720863750 /nfs/dbraw/zinc/86/37/50/720863750.db2.gz AAJDFPYIRIWWRO-PBHICJAKSA-N 1 0 472.920 2.502 20 30 JFEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cnc(Cl)nc2Oc2ccccc2C#N)CC3)CC1 ZINC001164794804 721521843 /nfs/dbraw/zinc/52/18/43/721521843.db2.gz IBANPOGULRSTOQ-UHFFFAOYSA-N 1 0 464.961 2.758 20 30 JFEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011366 721741633 /nfs/dbraw/zinc/74/16/33/721741633.db2.gz VZVAQZZISBSCNZ-UHFFFAOYSA-N 1 0 456.663 2.620 20 30 JFEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963276 722060093 /nfs/dbraw/zinc/06/00/93/722060093.db2.gz VGLRYAJNHULIPZ-NRFANRHFSA-N 1 0 486.576 2.924 20 30 JFEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981761 722150128 /nfs/dbraw/zinc/15/01/28/722150128.db2.gz QHDPYSYBXNVGEW-PWRODBHTSA-N 1 0 464.570 2.548 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286269146 1060028208 /nfs/dbraw/zinc/02/82/08/1060028208.db2.gz CPWPJMZMAIUQBA-NHCUHLMSSA-N 1 0 472.597 2.594 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286269699 1060028269 /nfs/dbraw/zinc/02/82/69/1060028269.db2.gz HMYIBPYYEZMNFQ-LEWJYISDSA-N 1 0 465.646 2.865 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286273712 1060031553 /nfs/dbraw/zinc/03/15/53/1060031553.db2.gz GICPLNWNNMWBLX-FNZWTVRRSA-N 1 0 451.615 2.876 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286278267 1060036377 /nfs/dbraw/zinc/03/63/77/1060036377.db2.gz BSKBRRXTNUWCIC-FQEVSTJZSA-N 1 0 459.598 2.997 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC[NH+](CCC)CC1 ZINC001286278810 1060036928 /nfs/dbraw/zinc/03/69/28/1060036928.db2.gz GNNRIMJMKYLPPB-LJQANCHMSA-N 1 0 472.659 2.775 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([NH+](C)C)CCCCC1 ZINC001286285631 1060044233 /nfs/dbraw/zinc/04/42/33/1060044233.db2.gz NWRPKEWCBXPWCT-SFHVURJKSA-N 1 0 457.648 2.961 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCC[N@H+]1CC ZINC001286294827 1060048670 /nfs/dbraw/zinc/04/86/70/1060048670.db2.gz FRDYJIWGADUGMZ-SLFFLAALSA-N 1 0 460.623 2.919 20 30 JFEDRO C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@@H+](C)CCOC ZINC001286298623 1060051572 /nfs/dbraw/zinc/05/15/72/1060051572.db2.gz MMMAGEPXJIXYFB-WOJBJXKFSA-N 1 0 462.639 2.819 20 30 JFEDRO C#C[C@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCC[C@H]1OC ZINC001286304549 1060057254 /nfs/dbraw/zinc/05/72/54/1060057254.db2.gz WWRUTKAOWQYQBH-WPFOTENUSA-N 1 0 450.631 2.916 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001286309308 1060063091 /nfs/dbraw/zinc/06/30/91/1060063091.db2.gz JREKDTNHNKVYAX-FBIATWESSA-N 1 0 491.640 2.796 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@H+]2CCC)c1 ZINC001286309932 1060064730 /nfs/dbraw/zinc/06/47/30/1060064730.db2.gz PIAMTWZSNCRJDO-QFIPXVFZSA-N 1 0 460.586 2.609 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC[C@H](C)[NH+]2CCCCC2)c1 ZINC001286310934 1060068624 /nfs/dbraw/zinc/06/86/24/1060068624.db2.gz AMJYUHNHSXMNGW-NRFANRHFSA-N 1 0 491.640 2.721 20 30 JFEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001286311972 1060072236 /nfs/dbraw/zinc/07/22/36/1060072236.db2.gz SNIVNEOFNHLMHP-IRLDBZIGSA-N 1 0 450.587 2.569 20 30 JFEDRO C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286314891 1060076406 /nfs/dbraw/zinc/07/64/06/1060076406.db2.gz IEVPIMQKZPTNQV-WOJBJXKFSA-N 1 0 472.659 2.918 20 30 JFEDRO C#CCCCCn1c(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286334190 1060087469 /nfs/dbraw/zinc/08/74/69/1060087469.db2.gz FWOSNRAVOAKXLD-OZXSUGGESA-N 1 0 472.678 2.727 20 30 JFEDRO C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001286337086 1060090666 /nfs/dbraw/zinc/09/06/66/1060090666.db2.gz WUDLFMFYWFMXHC-DHIUTWEWSA-N 1 0 466.678 2.938 20 30 JFEDRO C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286358723 1060118040 /nfs/dbraw/zinc/11/80/40/1060118040.db2.gz OQECZDPYZOZOTG-RLBLXZPPSA-N 1 0 469.634 2.668 20 30 JFEDRO C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001286363363 1060124899 /nfs/dbraw/zinc/12/48/99/1060124899.db2.gz ROYCEFUATGQUSV-KRWDZBQOSA-N 1 0 471.656 2.980 20 30 JFEDRO C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001286366133 1060129911 /nfs/dbraw/zinc/12/99/11/1060129911.db2.gz UXOBOAYQACXBKQ-UHFFFAOYSA-N 1 0 464.595 2.770 20 30 JFEDRO C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001286369468 1060134147 /nfs/dbraw/zinc/13/41/47/1060134147.db2.gz REUBVXIRCACXBJ-UHFFFAOYSA-N 1 0 490.656 2.579 20 30 JFEDRO C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C ZINC001286376246 1060139406 /nfs/dbraw/zinc/13/94/06/1060139406.db2.gz IGBBIVXPUABEEC-NRFANRHFSA-N 1 0 498.628 2.645 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(OC)c2)n1CCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286383256 1060160890 /nfs/dbraw/zinc/16/08/90/1060160890.db2.gz LXQMEEJZOFOGEL-IFMALSPDSA-N 1 0 485.654 2.845 20 30 JFEDRO C#CCN(c1nnc([C@H](CC)c2ccccc2)n1CC[N@@H+]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286384957 1060172188 /nfs/dbraw/zinc/17/21/88/1060172188.db2.gz KVNCJBFHWMRKID-YMPZKCBVSA-N 1 0 469.655 2.931 20 30 JFEDRO C#CCN(c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1C[C@@H](C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286385818 1060180640 /nfs/dbraw/zinc/18/06/40/1060180640.db2.gz ZQXBHIFWRZCYRS-YQVWRLOYSA-N 1 0 475.684 2.708 20 30 JFEDRO C#CCN(c1nnc(C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385975 1060182221 /nfs/dbraw/zinc/18/22/21/1060182221.db2.gz RUHJIIOPSNHRMZ-OAQYLSRUSA-N 1 0 470.643 2.514 20 30 JFEDRO C#CCN(c1nnc(-c2ccccc2C)n1CC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286387166 1060197723 /nfs/dbraw/zinc/19/77/23/1060197723.db2.gz OQZHPIDFYWDPHD-FPOVZHCZSA-N 1 0 455.628 2.612 20 30 JFEDRO C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C(C)C)[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387217 1060198674 /nfs/dbraw/zinc/19/86/74/1060198674.db2.gz BLWSVGPVCJAOKT-GMAHTHKFSA-N 1 0 485.654 2.701 20 30 JFEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(CC)CC)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388723 1060214174 /nfs/dbraw/zinc/21/41/74/1060214174.db2.gz BBQDPFZKXXULGQ-IRLDBZIGSA-N 1 0 472.659 2.642 20 30 JFEDRO C#CCN(c1nnc(CC2CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286390514 1060225841 /nfs/dbraw/zinc/22/58/41/1060225841.db2.gz BMDSSQXLDMJSHR-SIKLNZKXSA-N 1 0 469.655 2.987 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCC[N@H+]1CCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286391776 1060233874 /nfs/dbraw/zinc/23/38/74/1060233874.db2.gz DRBRFQFCBJYUPZ-DHIUTWEWSA-N 1 0 487.645 2.899 20 30 JFEDRO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](CC)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286392920 1060240783 /nfs/dbraw/zinc/24/07/83/1060240783.db2.gz DBEKBYCEXNMCEG-FGZHOGPDSA-N 1 0 485.654 2.667 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2F)n1CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286393027 1060241223 /nfs/dbraw/zinc/24/12/23/1060241223.db2.gz IYIKKNBCZHIJFN-NRFANRHFSA-N 1 0 475.634 2.754 20 30 JFEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C(C)C)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286393904 1060246664 /nfs/dbraw/zinc/24/66/64/1060246664.db2.gz LQWAJJUYZMPIHR-DHIUTWEWSA-N 1 0 487.645 2.755 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286395237 1060255891 /nfs/dbraw/zinc/25/58/91/1060255891.db2.gz RSIZBYUNBRQHKZ-PKTZIBPZSA-N 1 0 469.655 2.678 20 30 JFEDRO C#CCN(c1nnc(Cn2ccc3ccccc32)n1C[C@@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286395292 1060256797 /nfs/dbraw/zinc/25/67/97/1060256797.db2.gz ZJSZELAUQOJMTF-DHIUTWEWSA-N 1 0 496.681 2.884 20 30 JFEDRO C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286395948 1060260661 /nfs/dbraw/zinc/26/06/61/1060260661.db2.gz SZFWXCUWJKYMKG-FCHUYYIVSA-N 1 0 477.675 2.803 20 30 JFEDRO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](CC)[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286396240 1060261773 /nfs/dbraw/zinc/26/17/73/1060261773.db2.gz WJUOIEUXCMGCNX-DHIUTWEWSA-N 1 0 469.655 2.678 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397647 1060269371 /nfs/dbraw/zinc/26/93/71/1060269371.db2.gz BNLLNHJYFGRADK-GXRSIYKFSA-N 1 0 491.702 2.555 20 30 JFEDRO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397644 1060269469 /nfs/dbraw/zinc/26/94/69/1060269469.db2.gz BNLLNHJYFGRADK-FNAHDJPLSA-N 1 0 491.702 2.555 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCCC[NH+]1CCOCC1 ZINC001286401125 1060282433 /nfs/dbraw/zinc/28/24/33/1060282433.db2.gz JKMIYFLEUPLCBM-UHFFFAOYSA-N 1 0 456.388 2.893 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2ccc(F)cc2Br)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001286405003 1060287629 /nfs/dbraw/zinc/28/76/29/1060287629.db2.gz YIKWBZKFARIPPJ-QGZVFWFLSA-N 1 0 474.378 2.888 20 30 JFEDRO C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286408533 1060291638 /nfs/dbraw/zinc/29/16/38/1060291638.db2.gz GSLZUZICRRDMOM-QFIPXVFZSA-N 1 0 467.017 2.538 20 30 JFEDRO C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001286408661 1060292288 /nfs/dbraw/zinc/29/22/88/1060292288.db2.gz IXIBACADNWEZKE-NRFANRHFSA-N 1 0 471.609 2.868 20 30 JFEDRO C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001286414290 1060300416 /nfs/dbraw/zinc/30/04/16/1060300416.db2.gz VEZCNJRVEYBXTA-DHIUTWEWSA-N 1 0 498.672 2.822 20 30 JFEDRO C#CCN(CC#C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001286415503 1060302653 /nfs/dbraw/zinc/30/26/53/1060302653.db2.gz KXKZUXVVIFZFEO-DNQXCXABSA-N 1 0 460.626 2.531 20 30 JFEDRO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001286416382 1060303575 /nfs/dbraw/zinc/30/35/75/1060303575.db2.gz QSWXRLGDSSRAJD-CYFREDJKSA-N 1 0 452.628 2.853 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001286425931 1060314419 /nfs/dbraw/zinc/31/44/19/1060314419.db2.gz CTPSJQAKTJSMHJ-PMACEKPBSA-N 1 0 473.581 2.556 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001286425932 1060314984 /nfs/dbraw/zinc/31/49/84/1060314984.db2.gz CTPSJQAKTJSMHJ-WOJBJXKFSA-N 1 0 473.581 2.556 20 30 JFEDRO C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286428331 1060318134 /nfs/dbraw/zinc/31/81/34/1060318134.db2.gz RSZMHJRFAAJHOG-QHCPKHFHSA-N 1 0 482.579 2.553 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286428489 1060318584 /nfs/dbraw/zinc/31/85/84/1060318584.db2.gz SUUXEKCTAGLMBT-NHCUHLMSSA-N 1 0 496.612 2.945 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001286428492 1060318649 /nfs/dbraw/zinc/31/86/49/1060318649.db2.gz SUUXEKCTAGLMBT-RTWAWAEBSA-N 1 0 496.612 2.945 20 30 JFEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001286430699 1060321338 /nfs/dbraw/zinc/32/13/38/1060321338.db2.gz PWUOMUMLOOYQJH-XWGVYQGASA-N 1 0 458.610 2.993 20 30 JFEDRO C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286437632 1060328599 /nfs/dbraw/zinc/32/85/99/1060328599.db2.gz PLOULTXSQMEAOW-KCWPFWIISA-N 1 0 480.657 2.989 20 30 JFEDRO C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001286437914 1060329123 /nfs/dbraw/zinc/32/91/23/1060329123.db2.gz NZUKFARHCWUXQG-UHFFFAOYSA-N 1 0 459.598 2.998 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001286438555 1060329741 /nfs/dbraw/zinc/32/97/41/1060329741.db2.gz FJFQODOXFXCPNU-QHCPKHFHSA-N 1 0 470.625 2.620 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001286439959 1060330896 /nfs/dbraw/zinc/33/08/96/1060330896.db2.gz YYNGOQZBDHHPJE-HSZRJFAPSA-N 1 0 457.582 2.987 20 30 JFEDRO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286439620 1060330967 /nfs/dbraw/zinc/33/09/67/1060330967.db2.gz UCELHPGCRZVWAX-RUZDIDTESA-N 1 0 498.635 2.536 20 30 JFEDRO C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286451784 1060335947 /nfs/dbraw/zinc/33/59/47/1060335947.db2.gz AUFRHSYVRBTHKL-QHAWAJNXSA-N 1 0 458.651 2.599 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286457700 1060339203 /nfs/dbraw/zinc/33/92/03/1060339203.db2.gz CMOWHJSOMVOILC-JTHBVZDNSA-N 1 0 482.604 2.504 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286458113 1060340024 /nfs/dbraw/zinc/34/00/24/1060340024.db2.gz KKBHVGVNRVOSOP-NRFANRHFSA-N 1 0 455.578 2.796 20 30 JFEDRO C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001286458552 1060341176 /nfs/dbraw/zinc/34/11/76/1060341176.db2.gz XLMOTXOORZGBGU-RBBKRZOGSA-N 1 0 475.634 2.935 20 30 JFEDRO C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286460757 1060346148 /nfs/dbraw/zinc/34/61/48/1060346148.db2.gz JGPUSJSIWRPGQT-DEOSSOPVSA-N 1 0 470.643 2.671 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@H+]1CC=CCC1 ZINC001286462583 1060349304 /nfs/dbraw/zinc/34/93/04/1060349304.db2.gz NPBJNKBJJOXIEU-UHFFFAOYSA-N 1 0 475.597 2.584 20 30 JFEDRO C#CCN(CCOC)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001286462628 1060349391 /nfs/dbraw/zinc/34/93/91/1060349391.db2.gz PMKZGDZMICTWEZ-IBGZPJMESA-N 1 0 463.586 2.802 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286471974 1060367795 /nfs/dbraw/zinc/36/77/95/1060367795.db2.gz CAGVUWZJODJMEG-GOSISDBHSA-N 1 0 474.451 2.911 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001286473388 1060374780 /nfs/dbraw/zinc/37/47/80/1060374780.db2.gz LHBHBSRKIGOAAS-UHFFFAOYSA-N 1 0 466.630 2.982 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286474124 1060381219 /nfs/dbraw/zinc/38/12/19/1060381219.db2.gz BDZLZZHTQQTCDD-QFIPXVFZSA-N 1 0 496.656 2.609 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001286474692 1060386450 /nfs/dbraw/zinc/38/64/50/1060386450.db2.gz OSHPNZVYTJJHPU-NRFANRHFSA-N 1 0 452.603 2.592 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001286475113 1060389604 /nfs/dbraw/zinc/38/96/04/1060389604.db2.gz QXXDMDSSNYBYNL-FQEVSTJZSA-N 1 0 457.420 2.947 20 30 JFEDRO C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001286475731 1060391018 /nfs/dbraw/zinc/39/10/18/1060391018.db2.gz HNHDPMGVMGIICZ-UHFFFAOYSA-N 1 0 478.519 2.703 20 30 JFEDRO C#CCN1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCC(C)C)CC1 ZINC001286483701 1060409977 /nfs/dbraw/zinc/40/99/77/1060409977.db2.gz VFEQERNVTQPIMT-UHFFFAOYSA-N 1 0 463.674 2.834 20 30 JFEDRO C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001286483827 1060411144 /nfs/dbraw/zinc/41/11/44/1060411144.db2.gz ZTMBZHKGVYAXEO-QHCPKHFHSA-N 1 0 450.631 2.919 20 30 JFEDRO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286484203 1060415401 /nfs/dbraw/zinc/41/54/01/1060415401.db2.gz GEXORELCLCWGPP-VWLOTQADSA-N 1 0 474.657 2.760 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCCC2)CC1 ZINC001286485491 1060426563 /nfs/dbraw/zinc/42/65/63/1060426563.db2.gz NINLGQUULCBZOO-QFIPXVFZSA-N 1 0 485.677 2.981 20 30 JFEDRO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001286485670 1060428385 /nfs/dbraw/zinc/42/83/85/1060428385.db2.gz UJUIOINGGIAHQM-VXKWHMMOSA-N 1 0 485.677 2.837 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001286486670 1060437460 /nfs/dbraw/zinc/43/74/60/1060437460.db2.gz AGOUSOHWQYHLPT-UHFFFAOYSA-N 1 0 490.450 2.732 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001286487332 1060443467 /nfs/dbraw/zinc/44/34/67/1060443467.db2.gz VATAPHLBFSAFSP-HSZRJFAPSA-N 1 0 462.642 2.932 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286488451 1060451295 /nfs/dbraw/zinc/45/12/95/1060451295.db2.gz NYVMVXGETVQWHX-AVRDEDQJSA-N 1 0 482.604 2.863 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286489362 1060462023 /nfs/dbraw/zinc/46/20/23/1060462023.db2.gz PUCMJAGIEPAJFC-SFHVURJKSA-N 1 0 485.032 2.915 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286490543 1060475701 /nfs/dbraw/zinc/47/57/01/1060475701.db2.gz XNBMICKUVGAQJA-HXUWFJFHSA-N 1 0 451.619 2.751 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286491172 1060482053 /nfs/dbraw/zinc/48/20/53/1060482053.db2.gz HYOOUSQZAFBHLQ-XMMPIXPASA-N 1 0 477.657 2.740 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286491616 1060488611 /nfs/dbraw/zinc/48/86/11/1060488611.db2.gz ZDUCGZKRGMXDBK-VXKWHMMOSA-N 1 0 491.684 2.986 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286491959 1060491856 /nfs/dbraw/zinc/49/18/56/1060491856.db2.gz BVAILHJEMLPEDJ-DHIUTWEWSA-N 1 0 470.662 2.648 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001286492130 1060494127 /nfs/dbraw/zinc/49/41/27/1060494127.db2.gz CPRJLPHFSXVLQQ-HSZRJFAPSA-N 1 0 470.662 2.794 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001286494512 1060508107 /nfs/dbraw/zinc/50/81/07/1060508107.db2.gz MWWPMGPHULYNSJ-DNQXCXABSA-N 1 0 478.641 2.961 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001286494719 1060508626 /nfs/dbraw/zinc/50/86/26/1060508626.db2.gz QIWXVOUJLPAYHB-DEOSSOPVSA-N 1 0 492.668 2.912 20 30 JFEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286495280 1060510723 /nfs/dbraw/zinc/51/07/23/1060510723.db2.gz XWVJVEIGUFPULX-GGAORHGYSA-N 1 0 470.662 2.854 20 30 JFEDRO C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001286499048 1060520677 /nfs/dbraw/zinc/52/06/77/1060520677.db2.gz IDZRUPIIFVGXPA-UHFFFAOYSA-N 1 0 474.638 2.980 20 30 JFEDRO C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286504619 1060530529 /nfs/dbraw/zinc/53/05/29/1060530529.db2.gz OOCIVPKTQWHJEZ-RTBURBONSA-N 1 0 479.654 2.960 20 30 JFEDRO C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001286505080 1060531591 /nfs/dbraw/zinc/53/15/91/1060531591.db2.gz WNGLOUHOQKFVBD-UHFFFAOYSA-N 1 0 455.628 2.869 20 30 JFEDRO C#CCSCCn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001286512978 1060548189 /nfs/dbraw/zinc/54/81/89/1060548189.db2.gz PFZZKNTXEQIRAY-AREMUKBSSA-N 1 0 494.665 2.881 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001286516258 1060552049 /nfs/dbraw/zinc/55/20/49/1060552049.db2.gz FIPUQVAKXDIRQE-NTKDMRAZSA-N 1 0 472.659 2.769 20 30 JFEDRO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001286524022 1060558540 /nfs/dbraw/zinc/55/85/40/1060558540.db2.gz GMFAGKHMSYEFSW-QFQXNSOFSA-N 1 0 450.631 2.896 20 30 JFEDRO C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286538016 1060579863 /nfs/dbraw/zinc/57/98/63/1060579863.db2.gz LBOSTZONEHSWHP-VQTJNVASSA-N 1 0 497.482 2.660 20 30 JFEDRO C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286540391 1060583749 /nfs/dbraw/zinc/58/37/49/1060583749.db2.gz AIEQKRKCSFWEES-INIZCTEOSA-N 1 0 472.453 2.544 20 30 JFEDRO C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286543911 1060590480 /nfs/dbraw/zinc/59/04/80/1060590480.db2.gz CJOAQTBIWQONIJ-IBGZPJMESA-N 1 0 461.408 2.721 20 30 JFEDRO C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001286548113 1060600105 /nfs/dbraw/zinc/60/01/05/1060600105.db2.gz LWFKPBJQDRNKOE-UFYCRDLUSA-N 1 0 497.482 2.515 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001286561749 1060637863 /nfs/dbraw/zinc/63/78/63/1060637863.db2.gz OHOZGLRVGSQGFB-VWPQPMDRSA-N 1 0 455.607 2.653 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562927 1060643619 /nfs/dbraw/zinc/64/36/19/1060643619.db2.gz MVTAROCUPPAMOX-ZRBLBEILSA-N 1 0 474.694 2.788 20 30 JFEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286565911 1060653821 /nfs/dbraw/zinc/65/38/21/1060653821.db2.gz QJPPWRKJTJRXPS-OFNKIYASSA-N 1 0 458.651 2.940 20 30 JFEDRO C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286588363 1060683687 /nfs/dbraw/zinc/68/36/87/1060683687.db2.gz RJKGUQFQFGGKFE-UHFFFAOYSA-N 1 0 457.575 2.848 20 30 JFEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001286595896 1060695871 /nfs/dbraw/zinc/69/58/71/1060695871.db2.gz MGWOODHHXZRADT-DEOSSOPVSA-N 1 0 468.646 2.849 20 30 JFEDRO C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286604149 1060707727 /nfs/dbraw/zinc/70/77/27/1060707727.db2.gz GMOWKRSACLPOCQ-PMACEKPBSA-N 1 0 490.674 2.707 20 30 JFEDRO C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001286607504 1060717261 /nfs/dbraw/zinc/71/72/61/1060717261.db2.gz QNKNZCOGJDLPJJ-OALUTQOASA-N 1 0 475.663 2.750 20 30 JFEDRO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001286611595 1060722759 /nfs/dbraw/zinc/72/27/59/1060722759.db2.gz MVUIPRJZEFQLOG-JOCHJYFZSA-N 1 0 458.651 2.942 20 30 JFEDRO C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001286626442 1060744618 /nfs/dbraw/zinc/74/46/18/1060744618.db2.gz WOHGMXGJJJFAPU-IBGZPJMESA-N 1 0 461.010 2.931 20 30 JFEDRO C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286627381 1060746918 /nfs/dbraw/zinc/74/69/18/1060746918.db2.gz ZYADXQLWHUYEQO-IERDGZPVSA-N 1 0 458.010 2.780 20 30 JFEDRO C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CC1 ZINC001286637829 1060758318 /nfs/dbraw/zinc/75/83/18/1060758318.db2.gz NNAHTNOKPQDUCR-UGKGYDQZSA-N 1 0 488.658 2.890 20 30 JFEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286651822 1060767215 /nfs/dbraw/zinc/76/72/15/1060767215.db2.gz MOUIOHOURYWBST-OALUTQOASA-N 1 0 452.669 2.945 20 30 JFEDRO C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001286652770 1060769417 /nfs/dbraw/zinc/76/94/17/1060769417.db2.gz LAONBERVGDPGRS-UHFFFAOYSA-N 1 0 465.646 2.637 20 30 JFEDRO C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001286666667 1060779096 /nfs/dbraw/zinc/77/90/96/1060779096.db2.gz CVWDOUUJNXWENW-QZTJIDSGSA-N 1 0 452.669 2.801 20 30 JFEDRO C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001286688343 1060800776 /nfs/dbraw/zinc/80/07/76/1060800776.db2.gz QUSUCPLOSXQUOJ-OAQYLSRUSA-N 1 0 478.707 2.531 20 30 JFEDRO C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286704363 1060817702 /nfs/dbraw/zinc/81/77/02/1060817702.db2.gz RSOICOBQSXNXPZ-QFIPXVFZSA-N 1 0 452.603 2.875 20 30 JFEDRO C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001286712272 1060834074 /nfs/dbraw/zinc/83/40/74/1060834074.db2.gz VFNMXQRVIDQGPM-VXKWHMMOSA-N 1 0 479.691 2.865 20 30 JFEDRO C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001286713159 1060837287 /nfs/dbraw/zinc/83/72/87/1060837287.db2.gz CFARCTJESOVDIR-BQFCYCMXSA-N 1 0 452.650 2.655 20 30 JFEDRO C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286716255 1060841311 /nfs/dbraw/zinc/84/13/11/1060841311.db2.gz CEDUTPASJMNALN-GOSISDBHSA-N 1 0 475.663 2.670 20 30 JFEDRO C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286729682 1060849401 /nfs/dbraw/zinc/84/94/01/1060849401.db2.gz XLYCCTXSHYOMFY-UHFFFAOYSA-N 1 0 450.612 2.991 20 30 JFEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001286746341 1060871818 /nfs/dbraw/zinc/87/18/18/1060871818.db2.gz VYWFPKIJTJPZMQ-GGAORHGYSA-N 1 0 487.670 2.874 20 30 JFEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1)C(C)C ZINC001286751491 1060879129 /nfs/dbraw/zinc/87/91/29/1060879129.db2.gz QOAFEUQSRHQVQD-QHAWAJNXSA-N 1 0 458.607 2.512 20 30 JFEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)C(C)C ZINC001286752025 1060880820 /nfs/dbraw/zinc/88/08/20/1060880820.db2.gz VYQHRDCVPIYXEG-FQEVSTJZSA-N 1 0 469.634 2.765 20 30 JFEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001286770582 1060903617 /nfs/dbraw/zinc/90/36/17/1060903617.db2.gz PMVJVLBKUJRWJN-UHFFFAOYSA-N 1 0 459.392 2.638 20 30 JFEDRO C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001286771239 1060904066 /nfs/dbraw/zinc/90/40/66/1060904066.db2.gz DIZODCLRKRTVGI-UHFFFAOYSA-N 1 0 452.603 2.958 20 30 JFEDRO C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001286774950 1060911224 /nfs/dbraw/zinc/91/12/24/1060911224.db2.gz RUXMCBFMLXUITH-UHFFFAOYSA-N 1 0 489.665 2.569 20 30 JFEDRO C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286778909 1060917026 /nfs/dbraw/zinc/91/70/26/1060917026.db2.gz FPLLFBMDGAVZLK-HSZRJFAPSA-N 1 0 466.630 2.671 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001286779430 1060919513 /nfs/dbraw/zinc/91/95/13/1060919513.db2.gz ISTHEXHWWYTZPX-OAHLLOKOSA-N 1 0 464.412 2.506 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001286779575 1060920157 /nfs/dbraw/zinc/92/01/57/1060920157.db2.gz JGOGHCQHSWZGKB-QGZVFWFLSA-N 1 0 490.555 2.538 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001286783839 1060935290 /nfs/dbraw/zinc/93/52/90/1060935290.db2.gz NGRGLGPVUZZECI-RTBURBONSA-N 1 0 470.618 2.962 20 30 JFEDRO C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001286784269 1060937554 /nfs/dbraw/zinc/93/75/54/1060937554.db2.gz ZWXBDJABGAMNHJ-UHFFFAOYSA-N 1 0 468.602 2.718 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001286788271 1060945632 /nfs/dbraw/zinc/94/56/32/1060945632.db2.gz SWSWNCIBKLTJKJ-IRLDBZIGSA-N 1 0 452.603 2.923 20 30 JFEDRO C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001286788273 1060946143 /nfs/dbraw/zinc/94/61/43/1060946143.db2.gz SWSWNCIBKLTJKJ-UNMCSNQZSA-N 1 0 452.603 2.923 20 30 JFEDRO C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001286792540 1060961661 /nfs/dbraw/zinc/96/16/61/1060961661.db2.gz AYKQTWTWHPMYRU-UHFFFAOYSA-N 1 0 470.593 2.999 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001286798401 1060978494 /nfs/dbraw/zinc/97/84/94/1060978494.db2.gz KLTMNMKOAJTZEP-NRFANRHFSA-N 1 0 453.591 2.509 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001286798791 1060980409 /nfs/dbraw/zinc/98/04/09/1060980409.db2.gz OKIIJSDPFUEISV-RTBURBONSA-N 1 0 453.591 2.827 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001286799213 1060981596 /nfs/dbraw/zinc/98/15/96/1060981596.db2.gz TXQIBWNLAAMVKE-OAQYLSRUSA-N 1 0 471.005 2.905 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001286801280 1060986080 /nfs/dbraw/zinc/98/60/80/1060986080.db2.gz XRBNQOMVVMUZEC-BPYKYCOYSA-N 1 0 455.603 2.883 20 30 JFEDRO C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001286803831 1060990672 /nfs/dbraw/zinc/99/06/72/1060990672.db2.gz KDXUKNFTAISOSH-REWPJTCUSA-N 1 0 454.619 2.761 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001286808739 1060998334 /nfs/dbraw/zinc/99/83/34/1060998334.db2.gz NGTFUEPSVLJJRM-FSSWDIPSSA-N 1 0 452.603 2.876 20 30 JFEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001286810538 1061001284 /nfs/dbraw/zinc/00/12/84/1061001284.db2.gz SNOBWXQDNJXFPB-HKBOAZHASA-N 1 0 490.649 2.708 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001286815155 1061014850 /nfs/dbraw/zinc/01/48/50/1061014850.db2.gz MZEACDUXCRZBNM-SFHVURJKSA-N 1 0 488.614 2.765 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001286817305 1061030115 /nfs/dbraw/zinc/03/01/15/1061030115.db2.gz SPBREOVAHGXKFI-QUCCMNQESA-N 1 0 489.642 2.626 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001286819083 1061039954 /nfs/dbraw/zinc/03/99/54/1061039954.db2.gz ZIGHQTUPSVVSCN-UHFFFAOYSA-N 1 0 474.675 2.977 20 30 JFEDRO C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286819996 1061044375 /nfs/dbraw/zinc/04/43/75/1061044375.db2.gz BGSIBDIEALMCAK-OAQYLSRUSA-N 1 0 489.642 2.702 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286821791 1061054178 /nfs/dbraw/zinc/05/41/78/1061054178.db2.gz VESZUXNRRDCPNZ-SFHVURJKSA-N 1 0 479.597 2.813 20 30 JFEDRO C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001286823695 1061064505 /nfs/dbraw/zinc/06/45/05/1061064505.db2.gz XVOQHKVPGZKHJK-HXUWFJFHSA-N 1 0 457.644 2.932 20 30 JFEDRO C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286833072 1061083465 /nfs/dbraw/zinc/08/34/65/1061083465.db2.gz UQCNIOLBVYRERR-VXKWHMMOSA-N 1 0 478.707 2.670 20 30 JFEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001286884466 1061318420 /nfs/dbraw/zinc/31/84/20/1061318420.db2.gz SYAKRSKCJGVYMO-HXUWFJFHSA-N 1 0 465.602 2.662 20 30 JFEDRO CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CC(C)C)CC2)cn1 ZINC001286893264 1061368621 /nfs/dbraw/zinc/36/86/21/1061368621.db2.gz AUFZNHUGHBKCBU-UHFFFAOYSA-N 1 0 458.570 2.996 20 30 JFEDRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001286928867 1061549833 /nfs/dbraw/zinc/54/98/33/1061549833.db2.gz MRHDONOCZPAELO-HSZRJFAPSA-N 1 0 479.629 2.957 20 30 JFEDRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 ZINC001294215397 1061724773 /nfs/dbraw/zinc/72/47/73/1061724773.db2.gz SZXMHHBAAMPTHV-INIZCTEOSA-N 1 0 450.385 2.507 20 30 JFEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001286960830 1061733837 /nfs/dbraw/zinc/73/38/37/1061733837.db2.gz JHWNVDKEVUNKIE-LSDHHAIUSA-N 1 0 450.385 2.600 20 30 JFEDRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001294225932 1061738273 /nfs/dbraw/zinc/73/82/73/1061738273.db2.gz JPAZBWCCFDGHQV-FQEVSTJZSA-N 1 0 475.638 2.853 20 30 JFEDRO C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)Cc1ccccc1 ZINC001286966581 1061741473 /nfs/dbraw/zinc/74/14/73/1061741473.db2.gz UPRQGUJUQPSLGM-LJQANCHMSA-N 1 0 480.642 2.966 20 30 JFEDRO CC(C)(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001287014620 1061948965 /nfs/dbraw/zinc/94/89/65/1061948965.db2.gz JTHIFCVAMVSFEF-FGZHOGPDSA-N 1 0 452.603 2.915 20 30 JFEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001287040041 1062006727 /nfs/dbraw/zinc/00/67/27/1062006727.db2.gz SWLFLFYMFNIGCX-UHFFFAOYSA-N 1 0 472.597 2.917 20 30 JFEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001294460528 1062008063 /nfs/dbraw/zinc/00/80/63/1062008063.db2.gz FRMCKPQRBFMRPP-COPMAWBXSA-N 1 0 463.586 2.640 20 30 JFEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC001294501963 1062037347 /nfs/dbraw/zinc/03/73/47/1062037347.db2.gz CYCTZHKQTGDKAK-UHFFFAOYSA-N 1 0 454.531 2.991 20 30 JFEDRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287058514 1062085076 /nfs/dbraw/zinc/08/50/76/1062085076.db2.gz GOGMKWNYHAAZDU-YADHBBJMSA-N 1 0 495.628 2.767 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001294641931 1062163932 /nfs/dbraw/zinc/16/39/32/1062163932.db2.gz QRCPVOVQHNNAFY-NVXWUHKLSA-N 1 0 462.396 2.507 20 30 JFEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OCC)CC2)C1 ZINC001294647784 1062184721 /nfs/dbraw/zinc/18/47/21/1062184721.db2.gz KJDITRAGWNMSAZ-FQEVSTJZSA-N 1 0 451.575 2.827 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001294648437 1062186916 /nfs/dbraw/zinc/18/69/16/1062186916.db2.gz QMGKSPQZQJMROO-UHFFFAOYSA-N 1 0 479.629 2.670 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001294648643 1062187879 /nfs/dbraw/zinc/18/78/79/1062187879.db2.gz LCWQQKXHMJEROV-NRFANRHFSA-N 1 0 456.616 2.562 20 30 JFEDRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 ZINC001294656090 1062201072 /nfs/dbraw/zinc/20/10/72/1062201072.db2.gz DEJWZRDXIHKXSX-HXUWFJFHSA-N 1 0 467.666 2.839 20 30 JFEDRO CCC[NH+]1CCC(Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001294659875 1062209045 /nfs/dbraw/zinc/20/90/45/1062209045.db2.gz XMHDRJDPVNANBK-SFHVURJKSA-N 1 0 462.602 2.910 20 30 JFEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001294698827 1062261510 /nfs/dbraw/zinc/26/15/10/1062261510.db2.gz ZNOWHSKBCITJOF-WIYYLYMNSA-N 1 0 473.647 2.661 20 30 JFEDRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[N@H+]2CC=CCC2)c2ccccc2c1=O ZINC001294764542 1062353501 /nfs/dbraw/zinc/35/35/01/1062353501.db2.gz LYTCTSLOFWXKCP-IBGZPJMESA-N 1 0 460.586 2.923 20 30 JFEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC001290576873 1062380490 /nfs/dbraw/zinc/38/04/90/1062380490.db2.gz KCLSDWVNSKDRRY-KDURUIRLSA-N 1 0 497.692 2.704 20 30 JFEDRO CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001287140818 1062495286 /nfs/dbraw/zinc/49/52/86/1062495286.db2.gz SKFKFRQCZSFUGW-UHFFFAOYSA-N 1 0 467.618 2.812 20 30 JFEDRO Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290626376 1062498382 /nfs/dbraw/zinc/49/83/82/1062498382.db2.gz WLNCIAKCINOGEP-OYRHEFFESA-N 1 0 454.623 2.769 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001287155625 1062540169 /nfs/dbraw/zinc/54/01/69/1062540169.db2.gz DGXRRPBMLSWXQJ-QHCPKHFHSA-N 1 0 499.685 2.797 20 30 JFEDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001287156288 1062542983 /nfs/dbraw/zinc/54/29/83/1062542983.db2.gz HTAMRAWTYUHDGF-UGKGYDQZSA-N 1 0 457.510 2.652 20 30 JFEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001287159383 1062555607 /nfs/dbraw/zinc/55/56/07/1062555607.db2.gz ZQCJOBOAOLUBQG-XMMPIXPASA-N 1 0 495.672 2.721 20 30 JFEDRO CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001294871685 1062579389 /nfs/dbraw/zinc/57/93/89/1062579389.db2.gz WYUKBFHELUTEFA-OAQYLSRUSA-N 1 0 465.602 2.710 20 30 JFEDRO CCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294933747 1062710091 /nfs/dbraw/zinc/71/00/91/1062710091.db2.gz CIPQEIXNXFDOBH-RPBOFIJWSA-N 1 0 468.602 2.939 20 30 JFEDRO CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001287474516 1062923188 /nfs/dbraw/zinc/92/31/88/1062923188.db2.gz BOANTYUXFGXPMB-HXUWFJFHSA-N 1 0 473.629 2.963 20 30 JFEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295165397 1062989116 /nfs/dbraw/zinc/98/91/16/1062989116.db2.gz QJRQTQYFJNUZJJ-WIYYLYMNSA-N 1 0 456.616 2.562 20 30 JFEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295175017 1062998982 /nfs/dbraw/zinc/99/89/82/1062998982.db2.gz SXCNSDRNHRTODR-OAQYLSRUSA-N 1 0 470.643 2.952 20 30 JFEDRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O ZINC001291097804 1063060952 /nfs/dbraw/zinc/06/09/52/1063060952.db2.gz BXLITDSGFBOQEE-IBGZPJMESA-N 1 0 458.632 2.952 20 30 JFEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001291102349 1063077730 /nfs/dbraw/zinc/07/77/30/1063077730.db2.gz LXUFVCGPQZJGJG-ZWKOTPCHSA-N 1 0 465.668 2.529 20 30 JFEDRO CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1=O ZINC001287758420 1063084210 /nfs/dbraw/zinc/08/42/10/1063084210.db2.gz BHLLBVCGVCGMFB-OAQYLSRUSA-N 1 0 479.629 2.622 20 30 JFEDRO CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)CC1)S(C)(=O)=O ZINC001295267054 1063085422 /nfs/dbraw/zinc/08/54/22/1063085422.db2.gz PMVHSOSRIJFBDL-UHFFFAOYSA-N 1 0 499.685 2.943 20 30 JFEDRO C[C@H]1CCC[N@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001291124960 1063146643 /nfs/dbraw/zinc/14/66/43/1063146643.db2.gz MPDBAOBOLHBRSL-PZJWPPBQSA-N 1 0 465.602 2.552 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001291124961 1063146670 /nfs/dbraw/zinc/14/66/70/1063146670.db2.gz MPDBAOBOLHBRSL-TZIWHRDSSA-N 1 0 465.602 2.552 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001291124958 1063146770 /nfs/dbraw/zinc/14/67/70/1063146770.db2.gz MPDBAOBOLHBRSL-CTNGQTDRSA-N 1 0 465.602 2.552 20 30 JFEDRO C[C@@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1 ZINC001291128749 1063165379 /nfs/dbraw/zinc/16/53/79/1063165379.db2.gz BUAPDTGSHWPBSX-HXUWFJFHSA-N 1 0 460.586 2.930 20 30 JFEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001291136651 1063193517 /nfs/dbraw/zinc/19/35/17/1063193517.db2.gz BBMNPJLERNCMJQ-YADARESESA-N 1 0 485.658 2.810 20 30 JFEDRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 ZINC001291139738 1063204648 /nfs/dbraw/zinc/20/46/48/1063204648.db2.gz JMKKKFIVHXJRPB-ZHSNQQFMSA-N 1 0 461.586 2.975 20 30 JFEDRO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291140800 1063211477 /nfs/dbraw/zinc/21/14/77/1063211477.db2.gz DWPFMJULXHJYKB-JOCHJYFZSA-N 1 0 492.672 2.731 20 30 JFEDRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001295326967 1063219272 /nfs/dbraw/zinc/21/92/72/1063219272.db2.gz INQFLPMLXFWVQR-UHFFFAOYSA-N 1 0 492.672 2.682 20 30 JFEDRO CC1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001291179857 1063269758 /nfs/dbraw/zinc/26/97/58/1063269758.db2.gz OPMRLLUHAQELGV-QFIPXVFZSA-N 1 0 470.643 2.952 20 30 JFEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C[C@@H](C)O1 ZINC001291188868 1063305912 /nfs/dbraw/zinc/30/59/12/1063305912.db2.gz RUJMVNJRIDTQMG-URFJDIBFSA-N 1 0 482.629 2.824 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001295385124 1063360959 /nfs/dbraw/zinc/36/09/59/1063360959.db2.gz KDMHPILZKHETPE-IBGZPJMESA-N 1 0 453.591 2.518 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001295388044 1063365516 /nfs/dbraw/zinc/36/55/16/1063365516.db2.gz HQWAHWZKLQVEFI-HXUWFJFHSA-N 1 0 459.602 2.587 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001295391195 1063374246 /nfs/dbraw/zinc/37/42/46/1063374246.db2.gz DSSIRRZRBRPNSD-SSPYTLHUSA-N 1 0 481.645 2.931 20 30 JFEDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001295391203 1063374313 /nfs/dbraw/zinc/37/43/13/1063374313.db2.gz UXQIPQYWPAWGMO-SFHVURJKSA-N 1 0 481.674 2.901 20 30 JFEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001295464718 1063467620 /nfs/dbraw/zinc/46/76/20/1063467620.db2.gz FLGRYOPPRRJTMK-BZZOAKBMSA-N 1 0 493.612 2.791 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295482240 1063497959 /nfs/dbraw/zinc/49/79/59/1063497959.db2.gz GOIXYPJFNACBTA-QFIPXVFZSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295482239 1063497993 /nfs/dbraw/zinc/49/79/93/1063497993.db2.gz GOIXYPJFNACBTA-JOCHJYFZSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001295516450 1063553091 /nfs/dbraw/zinc/55/30/91/1063553091.db2.gz IWBAZOUIUUCSKO-ZREAOVPFSA-N 1 0 457.623 2.561 20 30 JFEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001295530314 1063567215 /nfs/dbraw/zinc/56/72/15/1063567215.db2.gz KRKMEUNQXVXOCD-UHFFFAOYSA-N 1 0 492.672 2.683 20 30 JFEDRO CC[NH+](CC)CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001295541678 1063576724 /nfs/dbraw/zinc/57/67/24/1063576724.db2.gz NKNLUZMATSURQB-UHFFFAOYSA-N 1 0 493.635 2.980 20 30 JFEDRO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCC(O)CC2)CC(C)(C)O1 ZINC001291278755 1063597384 /nfs/dbraw/zinc/59/73/84/1063597384.db2.gz BKACCTHNIUNMBD-IBGZPJMESA-N 1 0 468.602 2.579 20 30 JFEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001295570840 1063606881 /nfs/dbraw/zinc/60/68/81/1063606881.db2.gz WILROMLRUVBKGO-OIBXWCBGSA-N 1 0 468.602 2.843 20 30 JFEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287548 1063639600 /nfs/dbraw/zinc/63/96/00/1063639600.db2.gz DNLNMYNIJPIKOU-AABGKKOBSA-N 1 0 472.565 2.787 20 30 JFEDRO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291288979 1063654111 /nfs/dbraw/zinc/65/41/11/1063654111.db2.gz BOGNYPHXDWSOKS-SFTDATJTSA-N 1 0 479.629 2.621 20 30 JFEDRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295722021 1063737172 /nfs/dbraw/zinc/73/71/72/1063737172.db2.gz HTFJNSGCCNPEHV-GOTSBHOMSA-N 1 0 479.629 2.765 20 30 JFEDRO CC[N@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F ZINC001295831503 1063846325 /nfs/dbraw/zinc/84/63/25/1063846325.db2.gz YZUJFJIMTZOSDP-FQEVSTJZSA-N 1 0 492.485 2.637 20 30 JFEDRO CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001291356947 1063862763 /nfs/dbraw/zinc/86/27/63/1063862763.db2.gz RTQJRZHHFAKDEX-UHFFFAOYSA-N 1 0 479.629 2.909 20 30 JFEDRO CC[N@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001295855338 1063885185 /nfs/dbraw/zinc/88/51/85/1063885185.db2.gz CRTNUYJKBHVZRJ-WZONZLPQSA-N 1 0 479.601 2.759 20 30 JFEDRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1)CCC(F)(F)F ZINC001295865369 1063897169 /nfs/dbraw/zinc/89/71/69/1063897169.db2.gz BZXAQFKSUKJLSD-HXUWFJFHSA-N 1 0 455.529 2.805 20 30 JFEDRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001295876399 1063914768 /nfs/dbraw/zinc/91/47/68/1063914768.db2.gz ANGLCWQUPSAPIY-IBGZPJMESA-N 1 0 458.632 2.952 20 30 JFEDRO CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC001295905860 1063961509 /nfs/dbraw/zinc/96/15/09/1063961509.db2.gz RNMZMRDOTKYBLD-HSZRJFAPSA-N 1 0 489.628 2.612 20 30 JFEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C ZINC001296014034 1064075671 /nfs/dbraw/zinc/07/56/71/1064075671.db2.gz XPFKSYLXRIISBD-STSQHVNTSA-N 1 0 456.616 2.516 20 30 JFEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296030783 1064088295 /nfs/dbraw/zinc/08/82/95/1064088295.db2.gz LKRCKXIMXUBJKG-OAQYLSRUSA-N 1 0 466.586 2.850 20 30 JFEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296030794 1064088343 /nfs/dbraw/zinc/08/83/43/1064088343.db2.gz LPHQORTVFDFZIT-HXUWFJFHSA-N 1 0 479.629 2.908 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC001296033686 1064091771 /nfs/dbraw/zinc/09/17/71/1064091771.db2.gz NJPPEXJVSKYTST-UXHICEINSA-N 1 0 485.608 2.681 20 30 JFEDRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC001296033688 1064092220 /nfs/dbraw/zinc/09/22/20/1064092220.db2.gz NJPPEXJVSKYTST-WOJBJXKFSA-N 1 0 485.608 2.681 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)C1 ZINC001296036853 1064096809 /nfs/dbraw/zinc/09/68/09/1064096809.db2.gz MYOFUYOBSUIEIF-RRPUWOKSSA-N 1 0 479.629 2.526 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)C1 ZINC001296036851 1064096921 /nfs/dbraw/zinc/09/69/21/1064096921.db2.gz MYOFUYOBSUIEIF-IEIRFRATSA-N 1 0 479.629 2.526 20 30 JFEDRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC#N)C1 ZINC001296048804 1064108335 /nfs/dbraw/zinc/10/83/35/1064108335.db2.gz YIUUIOVPJCETGY-CEXWTWQISA-N 1 0 461.611 2.667 20 30 JFEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001296072837 1064137578 /nfs/dbraw/zinc/13/75/78/1064137578.db2.gz FVDLXIFYIFOICA-JOCHJYFZSA-N 1 0 465.602 2.566 20 30 JFEDRO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291610886 1064148747 /nfs/dbraw/zinc/14/87/47/1064148747.db2.gz RHGBTWPHNOLMJS-ZJSXRUAMSA-N 1 0 492.672 2.933 20 30 JFEDRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001296089229 1064160117 /nfs/dbraw/zinc/16/01/17/1064160117.db2.gz YZCSDZBFAPWHIA-RTWAWAEBSA-N 1 0 456.616 2.563 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001291766936 1064249022 /nfs/dbraw/zinc/24/90/22/1064249022.db2.gz HATJFZLAGFYSBW-IBGZPJMESA-N 1 0 487.674 2.797 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001291767142 1064249363 /nfs/dbraw/zinc/24/93/63/1064249363.db2.gz JLMYAKBMPIGOFZ-LJQANCHMSA-N 1 0 486.628 2.787 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001291768459 1064250761 /nfs/dbraw/zinc/25/07/61/1064250761.db2.gz WETOJKHFIRJJKP-HXUWFJFHSA-N 1 0 479.629 2.622 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001291771981 1064255149 /nfs/dbraw/zinc/25/51/49/1064255149.db2.gz MUYXNMYUTKPISU-FQEVSTJZSA-N 1 0 459.602 2.659 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001291772323 1064255405 /nfs/dbraw/zinc/25/54/05/1064255405.db2.gz OEAXTCHKEKELPM-PMACEKPBSA-N 1 0 474.617 2.756 20 30 JFEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001291782808 1064274143 /nfs/dbraw/zinc/27/41/43/1064274143.db2.gz UAOIXVPPFCBILC-GOSISDBHSA-N 1 0 479.658 2.957 20 30 JFEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291785421 1064280965 /nfs/dbraw/zinc/28/09/65/1064280965.db2.gz VNXZRXIIVSXHAI-UGKGYDQZSA-N 1 0 488.658 2.863 20 30 JFEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296185261 1064333135 /nfs/dbraw/zinc/33/31/35/1064333135.db2.gz OEBVQBNISPWFNH-VGSWGCGISA-N 1 0 460.989 2.709 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191136 1064341269 /nfs/dbraw/zinc/34/12/69/1064341269.db2.gz HFBPWHYSNSMEBH-REWPJTCUSA-N 1 0 451.619 2.564 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296194748 1064357524 /nfs/dbraw/zinc/35/75/24/1064357524.db2.gz FRSZZWQWIYOEJI-DEOSSOPVSA-N 1 0 455.582 2.813 20 30 JFEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296194753 1064357558 /nfs/dbraw/zinc/35/75/58/1064357558.db2.gz FRSZZWQWIYOEJI-XMMPIXPASA-N 1 0 455.582 2.813 20 30 JFEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296196611 1064368655 /nfs/dbraw/zinc/36/86/55/1064368655.db2.gz YKISYYVESJTDMT-CYFREDJKSA-N 1 0 457.573 2.724 20 30 JFEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001291961376 1064573731 /nfs/dbraw/zinc/57/37/31/1064573731.db2.gz HYOCXAOVRNCVCU-PKTZIBPZSA-N 1 0 463.586 2.683 20 30 JFEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)[NH+](C)C ZINC001291962210 1064575996 /nfs/dbraw/zinc/57/59/96/1064575996.db2.gz ACQJBAUASOGYKS-GMAHTHKFSA-N 1 0 478.645 2.794 20 30 JFEDRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCOCC1 ZINC001291973040 1064587601 /nfs/dbraw/zinc/58/76/01/1064587601.db2.gz DYEZVNIANJMPNF-QPPBQGQZSA-N 1 0 472.613 2.719 20 30 JFEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001296307285 1064587819 /nfs/dbraw/zinc/58/78/19/1064587819.db2.gz DOZHCDMPMNRTIB-UHFFFAOYSA-N 1 0 450.591 2.543 20 30 JFEDRO N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC001291999912 1064618486 /nfs/dbraw/zinc/61/84/86/1064618486.db2.gz ICTOOUKFKUGMSJ-UHFFFAOYSA-N 1 0 454.534 2.644 20 30 JFEDRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)O ZINC001292104812 1064797692 /nfs/dbraw/zinc/79/76/92/1064797692.db2.gz IJESGSPVRLKRCH-UHFFFAOYSA-N 1 0 467.618 2.551 20 30 JFEDRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)[NH+]1CCCC1 ZINC001292160757 1064943922 /nfs/dbraw/zinc/94/39/22/1064943922.db2.gz CMOGCYRJRANJCZ-VXKWHMMOSA-N 1 0 465.602 2.740 20 30 JFEDRO COc1cc([C@H](C#N)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc(OC)c1OC ZINC001292362701 1065104024 /nfs/dbraw/zinc/10/40/24/1065104024.db2.gz OQKZYGYTSOLFCE-NRFANRHFSA-N 1 0 453.539 2.911 20 30 JFEDRO CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292461550 1065191006 /nfs/dbraw/zinc/19/10/06/1065191006.db2.gz OVQFKFZMKLAOGZ-HSZRJFAPSA-N 1 0 475.645 2.946 20 30 JFEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001292663562 1065399071 /nfs/dbraw/zinc/39/90/71/1065399071.db2.gz YZULUPNFDFEZGE-WSTZPKSXSA-N 1 0 458.006 2.582 20 30 JFEDRO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293097569 1065748282 /nfs/dbraw/zinc/74/82/82/1065748282.db2.gz OOTMSIABZXVXKZ-LJQANCHMSA-N 1 0 455.582 2.679 20 30 JFEDRO CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC[N@H+](C)C(C)C)CC2)n1 ZINC001293186474 1065811441 /nfs/dbraw/zinc/81/14/41/1065811441.db2.gz VUEDRZMAGBOJPE-LJQANCHMSA-N 1 0 477.617 2.986 20 30 JFEDRO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001293559324 1066073512 /nfs/dbraw/zinc/07/35/12/1066073512.db2.gz AQYLFDIWHDFLTK-GGAORHGYSA-N 1 0 465.646 2.952 20 30 JFEDRO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CC[N@@H+]1CCOC ZINC001293561042 1066075040 /nfs/dbraw/zinc/07/50/40/1066075040.db2.gz NFINNDIDAWTXPR-QHCPKHFHSA-N 1 0 462.602 2.959 20 30 JFEDRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001293853060 1066359347 /nfs/dbraw/zinc/35/93/47/1066359347.db2.gz SKPOHEOVQMJCHB-REWPJTCUSA-N 1 0 479.629 2.670 20 30 JFEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC[N@@H+]1CCOC ZINC001294066990 1066537385 /nfs/dbraw/zinc/53/73/85/1066537385.db2.gz LMCYITHXFIWEQB-XMMPIXPASA-N 1 0 489.624 2.809 20 30 JFEDRO