smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNc1[nH+]c([C@H]2CCC[NH2+]C2)cc2cc(OC)ccc21 ZINC000257315746 203040815 /nfs/dbraw/zinc/04/08/15/203040815.db2.gz VCPGNHAJJJMSOT-ZDUSSCGKSA-N 2 2 315.417 2.769 40 0 DFABLP C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@@H]2CCCC[N@@H+]2C3)[NH2+]C1 ZINC000004081270 425617643 /nfs/dbraw/zinc/61/76/43/425617643.db2.gz YUKCLPPRYNXRAF-JWLCQNFESA-N 3 2 317.521 2.761 40 0 DFABLP C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@@H]2CCCC[N@H+]2C3)[NH2+]C1 ZINC000004081270 425617647 /nfs/dbraw/zinc/61/76/47/425617647.db2.gz YUKCLPPRYNXRAF-JWLCQNFESA-N 3 2 317.521 2.761 40 0 DFABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(Cc2cccs2)C1 ZINC000096188275 426404285 /nfs/dbraw/zinc/40/42/85/426404285.db2.gz DQZHJFHQLZIVCU-OAHLLOKOSA-N 2 2 318.490 2.918 40 0 DFABLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CC[C@H]32)n1 ZINC000253601471 427216415 /nfs/dbraw/zinc/21/64/15/427216415.db2.gz BAPCCJNRVAAEOP-JKSUJKDBSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CC[C@H]32)n1 ZINC000253601471 427216422 /nfs/dbraw/zinc/21/64/22/427216422.db2.gz BAPCCJNRVAAEOP-JKSUJKDBSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)CC[C@H]32)n1 ZINC000253601471 427216431 /nfs/dbraw/zinc/21/64/31/427216431.db2.gz BAPCCJNRVAAEOP-JKSUJKDBSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccnc4)CC[C@H]32)n1 ZINC000253601471 427216436 /nfs/dbraw/zinc/21/64/36/427216436.db2.gz BAPCCJNRVAAEOP-JKSUJKDBSA-N 2 2 314.458 2.635 40 0 DFABLP Cc1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228941764 563914738 /nfs/dbraw/zinc/91/47/38/563914738.db2.gz LIKFPGHONLJRDD-UHFFFAOYSA-N 2 2 308.389 2.803 40 0 DFABLP c1cc(C[N@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cs1 ZINC000306134218 231086958 /nfs/dbraw/zinc/08/69/58/231086958.db2.gz NFYNUHAYNSQBGV-ARFHVFGLSA-N 2 2 315.442 2.702 40 0 DFABLP c1cc(C[N@@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cs1 ZINC000306134218 231086961 /nfs/dbraw/zinc/08/69/61/231086961.db2.gz NFYNUHAYNSQBGV-ARFHVFGLSA-N 2 2 315.442 2.702 40 0 DFABLP Nc1cc(CC[C@H]2C[N@H+](Cc3ccccc3F)CCO2)cc[nH+]1 ZINC000257276829 203005457 /nfs/dbraw/zinc/00/54/57/203005457.db2.gz NVIKVGSTYYXDMZ-INIZCTEOSA-N 2 2 315.392 2.637 40 0 DFABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3ccccc3F)CCO2)cc[nH+]1 ZINC000257276829 203005461 /nfs/dbraw/zinc/00/54/61/203005461.db2.gz NVIKVGSTYYXDMZ-INIZCTEOSA-N 2 2 315.392 2.637 40 0 DFABLP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3cc(NC)cc(C)[nH+]3)C2)CC1 ZINC000257327480 203051424 /nfs/dbraw/zinc/05/14/24/203051424.db2.gz XBMVUGJUAVDSNJ-OAHLLOKOSA-N 3 2 302.466 2.705 40 0 DFABLP CC[NH+]1CCC([N@H+]2CC[C@@H](c3cc(NC)cc(C)[nH+]3)C2)CC1 ZINC000257327480 203051428 /nfs/dbraw/zinc/05/14/28/203051428.db2.gz XBMVUGJUAVDSNJ-OAHLLOKOSA-N 3 2 302.466 2.705 40 0 DFABLP COCC[N@@H+]1CCC[C@@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257329402 203053420 /nfs/dbraw/zinc/05/34/20/203053420.db2.gz XJVMLADLIQGASD-MRXNPFEDSA-N 2 2 300.406 2.574 40 0 DFABLP COCC[N@H+]1CCC[C@@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257329402 203053422 /nfs/dbraw/zinc/05/34/22/203053422.db2.gz XJVMLADLIQGASD-MRXNPFEDSA-N 2 2 300.406 2.574 40 0 DFABLP [NH3+][C@H](CCC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608373 425583295 /nfs/dbraw/zinc/58/32/95/425583295.db2.gz JCHQLSDKMKCVTK-CALCHBBNSA-N 2 2 310.397 2.577 40 0 DFABLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000049596432 425879884 /nfs/dbraw/zinc/87/98/84/425879884.db2.gz FQMNCIPEKBTUNI-NSHDSACASA-N 2 2 301.203 2.759 40 0 DFABLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000049596432 425879885 /nfs/dbraw/zinc/87/98/85/425879885.db2.gz FQMNCIPEKBTUNI-NSHDSACASA-N 2 2 301.203 2.759 40 0 DFABLP Fc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096161689 426403834 /nfs/dbraw/zinc/40/38/34/426403834.db2.gz DWBTVFQJKRXGKY-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096161689 426403837 /nfs/dbraw/zinc/40/38/37/426403837.db2.gz DWBTVFQJKRXGKY-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096161689 426403839 /nfs/dbraw/zinc/40/38/39/426403839.db2.gz DWBTVFQJKRXGKY-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC000096161689 426403842 /nfs/dbraw/zinc/40/38/42/426403842.db2.gz DWBTVFQJKRXGKY-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1cccc(Cl)c1)C2 ZINC000096217780 426407308 /nfs/dbraw/zinc/40/73/08/426407308.db2.gz XWDKOHMOVUBJLO-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1cccc(Cl)c1)C2 ZINC000096217780 426407311 /nfs/dbraw/zinc/40/73/11/426407311.db2.gz XWDKOHMOVUBJLO-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000096217780 426407314 /nfs/dbraw/zinc/40/73/14/426407314.db2.gz XWDKOHMOVUBJLO-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000096217780 426407316 /nfs/dbraw/zinc/40/73/16/426407316.db2.gz XWDKOHMOVUBJLO-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP c1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)co1 ZINC000096207053 426407737 /nfs/dbraw/zinc/40/77/37/426407737.db2.gz SQLWMSCXZABUPF-SJLPKXTDSA-N 2 2 313.401 2.910 40 0 DFABLP c1cc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)co1 ZINC000096207053 426407740 /nfs/dbraw/zinc/40/77/40/426407740.db2.gz SQLWMSCXZABUPF-SJLPKXTDSA-N 2 2 313.401 2.910 40 0 DFABLP c1csc(C[N@@H+]2CCCn3cnc(Cn4cc[nH+]c4)c3C2)c1 ZINC000096259465 426410818 /nfs/dbraw/zinc/41/08/18/426410818.db2.gz JFGNOXCGAFSAPR-UHFFFAOYSA-N 2 2 313.430 2.595 40 0 DFABLP c1csc(C[N@H+]2CCCn3cnc(Cn4cc[nH+]c4)c3C2)c1 ZINC000096259465 426410823 /nfs/dbraw/zinc/41/08/23/426410823.db2.gz JFGNOXCGAFSAPR-UHFFFAOYSA-N 2 2 313.430 2.595 40 0 DFABLP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@@H](C)C1 ZINC000195548895 426539500 /nfs/dbraw/zinc/53/95/00/426539500.db2.gz KZYVQLMELLATGB-JKSUJKDBSA-N 3 2 314.477 2.826 40 0 DFABLP CC[N@H+]1CC[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@@H](C)C1 ZINC000195548895 426539506 /nfs/dbraw/zinc/53/95/06/426539506.db2.gz KZYVQLMELLATGB-JKSUJKDBSA-N 3 2 314.477 2.826 40 0 DFABLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2cc[nH+]cc2)C1 ZINC000225732036 426610107 /nfs/dbraw/zinc/61/01/07/426610107.db2.gz MCQJSASLPMSNIZ-ZIAGYGMSSA-N 2 2 306.479 2.736 40 0 DFABLP C[NH+](C)CC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ccnn21 ZINC000248140257 426982902 /nfs/dbraw/zinc/98/29/02/426982902.db2.gz SZALJQATZWAUPC-KRWDZBQOSA-N 2 2 302.397 2.531 40 0 DFABLP C[NH+](C)CC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ccnn21 ZINC000248140257 426982905 /nfs/dbraw/zinc/98/29/05/426982905.db2.gz SZALJQATZWAUPC-KRWDZBQOSA-N 2 2 302.397 2.531 40 0 DFABLP CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257226199 427316183 /nfs/dbraw/zinc/31/61/83/427316183.db2.gz FJPMMKHULHCONX-OAHLLOKOSA-N 2 2 301.438 2.551 40 0 DFABLP CCn1nc(C)c(C[N@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257226199 427316190 /nfs/dbraw/zinc/31/61/90/427316190.db2.gz FJPMMKHULHCONX-OAHLLOKOSA-N 2 2 301.438 2.551 40 0 DFABLP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257232083 276359059 /nfs/dbraw/zinc/35/90/59/276359059.db2.gz GJINXLOYRDMVGR-KRWDZBQOSA-N 2 2 302.466 2.769 40 0 DFABLP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257232083 276359062 /nfs/dbraw/zinc/35/90/62/276359062.db2.gz GJINXLOYRDMVGR-KRWDZBQOSA-N 2 2 302.466 2.769 40 0 DFABLP Cc1ncsc1C[N@H+]1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257300668 203025463 /nfs/dbraw/zinc/02/54/63/203025463.db2.gz RVGCBJVEPGIFPC-CQSZACIVSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257300668 203025467 /nfs/dbraw/zinc/02/54/67/203025467.db2.gz RVGCBJVEPGIFPC-CQSZACIVSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1c[nH]c([C@@H]2CCN(C(=O)CCC[NH+]3CCCCCC3)C2)[nH+]1 ZINC000257312232 203036169 /nfs/dbraw/zinc/03/61/69/203036169.db2.gz UMYDOZKAPCTBOB-MRXNPFEDSA-N 2 2 318.465 2.690 40 0 DFABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)[nH+]1 ZINC000257335720 203058991 /nfs/dbraw/zinc/05/89/91/203058991.db2.gz YLNQZINDYOFVNU-OAHLLOKOSA-N 2 2 323.444 2.995 40 0 DFABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)[nH+]1 ZINC000257335720 203058994 /nfs/dbraw/zinc/05/89/94/203058994.db2.gz YLNQZINDYOFVNU-OAHLLOKOSA-N 2 2 323.444 2.995 40 0 DFABLP CNc1cc([C@H]2CCC[N@H+](Cc3c(C)nn(C)c3C)C2)cc[nH+]1 ZINC000257339749 203062142 /nfs/dbraw/zinc/06/21/42/203062142.db2.gz ZDANEQYRPZHAHO-INIZCTEOSA-N 2 2 313.449 2.853 40 0 DFABLP CNc1cc([C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)cc[nH+]1 ZINC000257339749 203062146 /nfs/dbraw/zinc/06/21/46/203062146.db2.gz ZDANEQYRPZHAHO-INIZCTEOSA-N 2 2 313.449 2.853 40 0 DFABLP Clc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000084428968 426237028 /nfs/dbraw/zinc/23/70/28/426237028.db2.gz IDDWWRKOTXITMD-UHFFFAOYSA-N 2 2 322.884 2.733 40 0 DFABLP c1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)co1 ZINC000096196879 426406798 /nfs/dbraw/zinc/40/67/98/426406798.db2.gz CPYRJRBJQKRCHH-UHFFFAOYSA-N 2 2 314.433 2.520 40 0 DFABLP c1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)co1 ZINC000096196879 426406803 /nfs/dbraw/zinc/40/68/03/426406803.db2.gz CPYRJRBJQKRCHH-UHFFFAOYSA-N 2 2 314.433 2.520 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccoc4)C[C@H]3C2)c1 ZINC000096053854 426392748 /nfs/dbraw/zinc/39/27/48/426392748.db2.gz CSFPQQCQDXLYDI-IAGOWNOFSA-N 2 2 300.377 2.983 40 0 DFABLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257232084 427315831 /nfs/dbraw/zinc/31/58/31/427315831.db2.gz GJINXLOYRDMVGR-QGZVFWFLSA-N 2 2 302.466 2.769 40 0 DFABLP Cc1cn(C(C)(C)C(=O)Nc2ccc(CC[NH+](C)C)cc2)c[nH+]1 ZINC000585140626 398436179 /nfs/dbraw/zinc/43/61/79/398436179.db2.gz IBDDCGSYDGOJHY-UHFFFAOYSA-N 2 2 314.433 2.669 40 0 DFABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000096048550 398659363 /nfs/dbraw/zinc/65/93/63/398659363.db2.gz HSTSFANUTXQSLQ-HOTGVXAUSA-N 2 2 303.431 2.941 40 0 DFABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000096048550 398659366 /nfs/dbraw/zinc/65/93/66/398659366.db2.gz HSTSFANUTXQSLQ-HOTGVXAUSA-N 2 2 303.431 2.941 40 0 DFABLP COc1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228921987 257214548 /nfs/dbraw/zinc/21/45/48/257214548.db2.gz JRLYQTXWMMNBDE-UHFFFAOYSA-N 2 2 324.388 2.503 40 0 DFABLP C[C@@H](C(=O)N1CCCC[C@@H]1C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439454 425811916 /nfs/dbraw/zinc/81/19/16/425811916.db2.gz QYFIXKUOZNBGRG-IRXDYDNUSA-N 2 2 321.509 2.726 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053877 426392342 /nfs/dbraw/zinc/39/23/42/426392342.db2.gz IBSIUYXHEMSVNE-ROUUACIJSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000096053736 426393790 /nfs/dbraw/zinc/39/37/90/426393790.db2.gz AWGYHIQLTUZPPL-QZTJIDSGSA-N 2 2 311.404 2.785 40 0 DFABLP CC[NH+](CC)CC[C@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21 ZINC000248273370 426989064 /nfs/dbraw/zinc/98/90/64/426989064.db2.gz XDIIMWJKJDVSQT-INIZCTEOSA-N 2 2 302.422 2.765 40 0 DFABLP Cc1cc(NC2CC3(C2)CC[N@H+](Cc2cncs2)C3)nc[nH+]1 ZINC000257213260 427313763 /nfs/dbraw/zinc/31/37/63/427313763.db2.gz CGUQPERIHJNAMW-UHFFFAOYSA-N 2 2 315.446 2.708 40 0 DFABLP Cc1cc(NC2CC3(C2)CC[N@@H+](Cc2cncs2)C3)nc[nH+]1 ZINC000257213260 427313767 /nfs/dbraw/zinc/31/37/67/427313767.db2.gz CGUQPERIHJNAMW-UHFFFAOYSA-N 2 2 315.446 2.708 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2cccn2C)n1 ZINC000257231204 427317198 /nfs/dbraw/zinc/31/71/98/427317198.db2.gz GFTYUMINHLFBQQ-KRWDZBQOSA-N 2 2 313.449 2.522 40 0 DFABLP Cc1cn2c(cccc2C2CC[NH+](Cc3cnccn3)CC2)[nH+]1 ZINC000257248985 427325513 /nfs/dbraw/zinc/32/55/13/427325513.db2.gz JGDMLQFIWFHAAT-UHFFFAOYSA-N 2 2 307.401 2.812 40 0 DFABLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)ccc1F ZINC000257260426 427328923 /nfs/dbraw/zinc/32/89/23/427328923.db2.gz LCTZCKZUGKWMQU-AWEZNQCLSA-N 2 2 303.381 2.866 40 0 DFABLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)ccc1F ZINC000257260426 427328927 /nfs/dbraw/zinc/32/89/27/427328927.db2.gz LCTZCKZUGKWMQU-AWEZNQCLSA-N 2 2 303.381 2.866 40 0 DFABLP Cc1cccc(N2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)[nH+]1 ZINC000257259190 427328952 /nfs/dbraw/zinc/32/89/52/427328952.db2.gz KXFWXCQHAAHIIC-MRXNPFEDSA-N 2 2 311.433 2.892 40 0 DFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378636 191141092 /nfs/dbraw/zinc/14/10/92/191141092.db2.gz KADHQRRTOHBQJQ-KRWDZBQOSA-N 2 2 320.400 2.703 40 0 DFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378636 191141095 /nfs/dbraw/zinc/14/10/95/191141095.db2.gz KADHQRRTOHBQJQ-KRWDZBQOSA-N 2 2 320.400 2.703 40 0 DFABLP CC(C)N(C(=O)C[NH+]1CCC([NH+]2CCCCC2)CC1)C(C)C ZINC000004968998 181181499 /nfs/dbraw/zinc/18/14/99/181181499.db2.gz RXLUKGPAOICQGF-UHFFFAOYSA-N 2 2 309.498 2.582 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257288719 203015424 /nfs/dbraw/zinc/01/54/24/203015424.db2.gz PVHLLYDPUUMLKQ-OAHLLOKOSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257288719 203015426 /nfs/dbraw/zinc/01/54/26/203015426.db2.gz PVHLLYDPUUMLKQ-OAHLLOKOSA-N 2 2 317.462 2.640 40 0 DFABLP Cn1cc[nH+]c1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000195560633 399186431 /nfs/dbraw/zinc/18/64/31/399186431.db2.gz IWLUQFSBUYWFRZ-GOSISDBHSA-N 2 2 310.376 2.876 40 0 DFABLP Cn1cc([C@@H]2C[N@H+](Cc3cccs3)C[C@H]2[NH3+])c2ccncc21 ZINC000019290471 182112426 /nfs/dbraw/zinc/11/24/26/182112426.db2.gz PDMQUECOLKSKBP-JKSUJKDBSA-N 2 2 312.442 2.562 40 0 DFABLP Cn1cc([C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2[NH3+])c2ccncc21 ZINC000019290471 182112428 /nfs/dbraw/zinc/11/24/28/182112428.db2.gz PDMQUECOLKSKBP-JKSUJKDBSA-N 2 2 312.442 2.562 40 0 DFABLP Cc1[nH+]cc(C[NH2+][C@@H](C)CC(=O)NC(C)C)n1-c1ccccc1 ZINC000084048433 542506155 /nfs/dbraw/zinc/50/61/55/542506155.db2.gz KSOKFKDHGQIVKR-AWEZNQCLSA-N 2 2 314.433 2.574 40 0 DFABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000107731350 426002624 /nfs/dbraw/zinc/00/26/24/426002624.db2.gz HSTSFANUTXQSLQ-CVEARBPZSA-N 2 2 303.431 2.941 40 0 DFABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000107731350 426002627 /nfs/dbraw/zinc/00/26/27/426002627.db2.gz HSTSFANUTXQSLQ-CVEARBPZSA-N 2 2 303.431 2.941 40 0 DFABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1ccncc1)[C@@H]2C ZINC000096061984 426395087 /nfs/dbraw/zinc/39/50/87/426395087.db2.gz WIUZTTBBXGFGJE-OAHLLOKOSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1ccncc1)[C@@H]2C ZINC000096061984 426395089 /nfs/dbraw/zinc/39/50/89/426395089.db2.gz WIUZTTBBXGFGJE-OAHLLOKOSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1ccncc1)[C@@H]2C ZINC000096061984 426395091 /nfs/dbraw/zinc/39/50/91/426395091.db2.gz WIUZTTBBXGFGJE-OAHLLOKOSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1ccncc1)[C@@H]2C ZINC000096061984 426395093 /nfs/dbraw/zinc/39/50/93/426395093.db2.gz WIUZTTBBXGFGJE-OAHLLOKOSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188310 426405203 /nfs/dbraw/zinc/40/52/03/426405203.db2.gz OEFXTOCZUUXYDP-INIZCTEOSA-N 2 2 318.490 2.917 40 0 DFABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188310 426405206 /nfs/dbraw/zinc/40/52/06/426405206.db2.gz OEFXTOCZUUXYDP-INIZCTEOSA-N 2 2 318.490 2.917 40 0 DFABLP Cc1nc(C[N@@H+]2CCC3(CN(c4cccc[nH+]4)C3)C2)cs1 ZINC000096202518 426406477 /nfs/dbraw/zinc/40/64/77/426406477.db2.gz DVQPLZPWGPLFSS-UHFFFAOYSA-N 2 2 300.431 2.559 40 0 DFABLP Cc1nc(C[N@H+]2CCC3(CN(c4cccc[nH+]4)C3)C2)cs1 ZINC000096202518 426406481 /nfs/dbraw/zinc/40/64/81/426406481.db2.gz DVQPLZPWGPLFSS-UHFFFAOYSA-N 2 2 300.431 2.559 40 0 DFABLP c1csc(C[N@@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000096048546 426391550 /nfs/dbraw/zinc/39/15/50/426391550.db2.gz BGAUJLZCNIIICF-HOCLYGCPSA-N 2 2 303.431 2.941 40 0 DFABLP c1csc(C[N@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000096048546 426391551 /nfs/dbraw/zinc/39/15/51/426391551.db2.gz BGAUJLZCNIIICF-HOCLYGCPSA-N 2 2 303.431 2.941 40 0 DFABLP c1cc(C[N@H+]2CCC3(C[NH+](CC4CCOCC4)C3)C2)cs1 ZINC000096046498 426391689 /nfs/dbraw/zinc/39/16/89/426391689.db2.gz XSIDNUWNCFGEMW-UHFFFAOYSA-N 2 2 306.475 2.682 40 0 DFABLP c1cc(C[N@@H+]2CCC3(C[NH+](CC4CCOCC4)C3)C2)cs1 ZINC000096046498 426391690 /nfs/dbraw/zinc/39/16/90/426391690.db2.gz XSIDNUWNCFGEMW-UHFFFAOYSA-N 2 2 306.475 2.682 40 0 DFABLP CC[N@@H+]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@@H](C)C1 ZINC000195548898 426538369 /nfs/dbraw/zinc/53/83/69/426538369.db2.gz KZYVQLMELLATGB-HOTGVXAUSA-N 3 2 314.477 2.826 40 0 DFABLP CC[N@H+]1CC[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@@H](C)C1 ZINC000195548898 426538374 /nfs/dbraw/zinc/53/83/74/426538374.db2.gz KZYVQLMELLATGB-HOTGVXAUSA-N 3 2 314.477 2.826 40 0 DFABLP C[NH+](C)C[C@@H]1CN(Cc2cccc(Cl)c2)Cc2c[nH+]cn21 ZINC000248133943 426984445 /nfs/dbraw/zinc/98/44/45/426984445.db2.gz RAUQNVMHZHGDST-MRXNPFEDSA-N 2 2 304.825 2.655 40 0 DFABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257286872 427332104 /nfs/dbraw/zinc/33/21/04/427332104.db2.gz PNKOWUILGXRROE-OAHLLOKOSA-N 2 2 302.447 2.937 40 0 DFABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257286872 427332108 /nfs/dbraw/zinc/33/21/08/427332108.db2.gz PNKOWUILGXRROE-OAHLLOKOSA-N 2 2 302.447 2.937 40 0 DFABLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000193050981 427659067 /nfs/dbraw/zinc/65/90/67/427659067.db2.gz UDVQRNQODPHGKR-DOTOQJQBSA-N 2 2 307.438 2.626 40 0 DFABLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000193050981 427659071 /nfs/dbraw/zinc/65/90/71/427659071.db2.gz UDVQRNQODPHGKR-DOTOQJQBSA-N 2 2 307.438 2.626 40 0 DFABLP c1csc(C[N@@H+]2Cc3ccnn3[C@H](CC[NH+]3CCCC3)C2)c1 ZINC000585111791 398433037 /nfs/dbraw/zinc/43/30/37/398433037.db2.gz BXFSFUKGHLXERO-MRXNPFEDSA-N 2 2 316.474 2.987 40 0 DFABLP c1csc(C[N@H+]2Cc3ccnn3[C@H](CC[NH+]3CCCC3)C2)c1 ZINC000585111791 398433039 /nfs/dbraw/zinc/43/30/39/398433039.db2.gz BXFSFUKGHLXERO-MRXNPFEDSA-N 2 2 316.474 2.987 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257288718 203015027 /nfs/dbraw/zinc/01/50/27/203015027.db2.gz PVHLLYDPUUMLKQ-HNNXBMFYSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257288718 203015030 /nfs/dbraw/zinc/01/50/30/203015030.db2.gz PVHLLYDPUUMLKQ-HNNXBMFYSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1c(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cnn1Cc1ccccc1 ZINC000012188697 425721144 /nfs/dbraw/zinc/72/11/44/425721144.db2.gz NMEJSSSSTMFDKM-SFHVURJKSA-N 2 2 312.461 2.623 40 0 DFABLP Cc1c(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cnn1Cc1ccccc1 ZINC000012188697 425721148 /nfs/dbraw/zinc/72/11/48/425721148.db2.gz NMEJSSSSTMFDKM-SFHVURJKSA-N 2 2 312.461 2.623 40 0 DFABLP Cc1c(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cnn1Cc1ccccc1 ZINC000012188697 425721149 /nfs/dbraw/zinc/72/11/49/425721149.db2.gz NMEJSSSSTMFDKM-SFHVURJKSA-N 2 2 312.461 2.623 40 0 DFABLP Cc1c(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cnn1Cc1ccccc1 ZINC000012188697 425721153 /nfs/dbraw/zinc/72/11/53/425721153.db2.gz NMEJSSSSTMFDKM-SFHVURJKSA-N 2 2 312.461 2.623 40 0 DFABLP C[C@H](C(=O)N1CCCC[C@H]1C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439440 425811751 /nfs/dbraw/zinc/81/17/51/425811751.db2.gz QYFIXKUOZNBGRG-IAGOWNOFSA-N 2 2 321.509 2.726 40 0 DFABLP Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000107226644 425986819 /nfs/dbraw/zinc/98/68/19/425986819.db2.gz SLTHEGUMKPSSKK-GDBMZVCRSA-N 2 2 303.431 2.859 40 0 DFABLP Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000107226644 425986820 /nfs/dbraw/zinc/98/68/20/425986820.db2.gz SLTHEGUMKPSSKK-GDBMZVCRSA-N 2 2 303.431 2.859 40 0 DFABLP Cc1ccc(C[N@@H+]2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)s1 ZINC000096084110 426396371 /nfs/dbraw/zinc/39/63/71/426396371.db2.gz HCZVSJQVPVJCPL-UHFFFAOYSA-N 2 2 316.474 2.934 40 0 DFABLP Cc1ccc(C[N@H+]2CCc3c(C[NH+]4CCCC4)[nH]nc3C2)s1 ZINC000096084110 426396373 /nfs/dbraw/zinc/39/63/73/426396373.db2.gz HCZVSJQVPVJCPL-UHFFFAOYSA-N 2 2 316.474 2.934 40 0 DFABLP COc1ccc2c(c1)C1(CC[NH+](CC3CC3)CC1)[N@@H+](C)CC2 ZINC000096100219 426397984 /nfs/dbraw/zinc/39/79/84/426397984.db2.gz ZXKWEZYCJKDTEB-UHFFFAOYSA-N 2 2 300.446 2.884 40 0 DFABLP COc1ccc2c(c1)C1(CC[NH+](CC3CC3)CC1)[N@H+](C)CC2 ZINC000096100219 426397987 /nfs/dbraw/zinc/39/79/87/426397987.db2.gz ZXKWEZYCJKDTEB-UHFFFAOYSA-N 2 2 300.446 2.884 40 0 DFABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096110651 426399430 /nfs/dbraw/zinc/39/94/30/426399430.db2.gz MMKPKLNHWJQQNK-CALCHBBNSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096110651 426399431 /nfs/dbraw/zinc/39/94/31/426399431.db2.gz MMKPKLNHWJQQNK-CALCHBBNSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096110651 426399433 /nfs/dbraw/zinc/39/94/33/426399433.db2.gz MMKPKLNHWJQQNK-CALCHBBNSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096110651 426399435 /nfs/dbraw/zinc/39/94/35/426399435.db2.gz MMKPKLNHWJQQNK-CALCHBBNSA-N 2 2 311.404 2.785 40 0 DFABLP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096110632 426399487 /nfs/dbraw/zinc/39/94/87/426399487.db2.gz GNDWXZFSVSAJRR-OALUTQOASA-N 2 2 323.440 2.654 40 0 DFABLP c1coc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)c1 ZINC000096049467 426393585 /nfs/dbraw/zinc/39/35/85/426393585.db2.gz NEKVAWGOXXDFCX-GOSISDBHSA-N 2 2 304.434 2.604 40 0 DFABLP c1coc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096049467 426393588 /nfs/dbraw/zinc/39/35/88/426393588.db2.gz NEKVAWGOXXDFCX-GOSISDBHSA-N 2 2 304.434 2.604 40 0 DFABLP c1coc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096049467 426393590 /nfs/dbraw/zinc/39/35/90/426393590.db2.gz NEKVAWGOXXDFCX-GOSISDBHSA-N 2 2 304.434 2.604 40 0 DFABLP c1coc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096049467 426393594 /nfs/dbraw/zinc/39/35/94/426393594.db2.gz NEKVAWGOXXDFCX-GOSISDBHSA-N 2 2 304.434 2.604 40 0 DFABLP c1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cc1 ZINC000096219056 426410097 /nfs/dbraw/zinc/41/00/97/426410097.db2.gz ZFGZXWFEFLNVAI-PKOBYXMFSA-N 2 2 309.413 2.927 40 0 DFABLP c1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cc1 ZINC000096219056 426410100 /nfs/dbraw/zinc/41/01/00/426410100.db2.gz ZFGZXWFEFLNVAI-PKOBYXMFSA-N 2 2 309.413 2.927 40 0 DFABLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000192982470 323250379 /nfs/dbraw/zinc/25/03/79/323250379.db2.gz PDHGZBXARHTQHF-ZDUSSCGKSA-N 2 2 302.871 2.848 40 0 DFABLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000192982470 323250383 /nfs/dbraw/zinc/25/03/83/323250383.db2.gz PDHGZBXARHTQHF-ZDUSSCGKSA-N 2 2 302.871 2.848 40 0 DFABLP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165047 341374165 /nfs/dbraw/zinc/37/41/65/341374165.db2.gz ZJCBWPZEZZIFBU-UXHICEINSA-N 3 2 315.505 2.782 40 0 DFABLP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165047 341374168 /nfs/dbraw/zinc/37/41/68/341374168.db2.gz ZJCBWPZEZZIFBU-UXHICEINSA-N 3 2 315.505 2.782 40 0 DFABLP COc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000083450493 192371653 /nfs/dbraw/zinc/37/16/53/192371653.db2.gz JBIJADGSYQSMOG-HZPDHXFCSA-N 2 2 304.434 2.729 40 0 DFABLP COc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000083450493 192371654 /nfs/dbraw/zinc/37/16/54/192371654.db2.gz JBIJADGSYQSMOG-HZPDHXFCSA-N 2 2 304.434 2.729 40 0 DFABLP COCC[N@@H+]1CCC[C@H](c2cccc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257301628 203024703 /nfs/dbraw/zinc/02/47/03/203024703.db2.gz RZEKXGQRFGRHPQ-HNNXBMFYSA-N 2 2 314.433 2.616 40 0 DFABLP COCC[N@H+]1CCC[C@H](c2cccc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257301628 203024706 /nfs/dbraw/zinc/02/47/06/203024706.db2.gz RZEKXGQRFGRHPQ-HNNXBMFYSA-N 2 2 314.433 2.616 40 0 DFABLP Nc1cc(CC[C@H]2C[N@H+](Cc3ccsc3)CCO2)cc[nH+]1 ZINC000257313231 203035678 /nfs/dbraw/zinc/03/56/78/203035678.db2.gz URMUNDSPRABDNF-HNNXBMFYSA-N 2 2 303.431 2.559 40 0 DFABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3ccsc3)CCO2)cc[nH+]1 ZINC000257313231 203035681 /nfs/dbraw/zinc/03/56/81/203035681.db2.gz URMUNDSPRABDNF-HNNXBMFYSA-N 2 2 303.431 2.559 40 0 DFABLP Cn1ccnc1C[NH2+]C[C@H]1CCCn2cc(C(C)(C)C)[nH+]c21 ZINC000084284642 542507851 /nfs/dbraw/zinc/50/78/51/542507851.db2.gz HVQXSXQCURRRTQ-CYBMUJFWSA-N 2 2 301.438 2.581 40 0 DFABLP Cc1[nH+]c2ccccc2n1CCCNc1[nH+]ncc(N)c1Cl ZINC000084290451 542507992 /nfs/dbraw/zinc/50/79/92/542507992.db2.gz VAOZVXPCWZTSAQ-UHFFFAOYSA-N 2 2 316.796 2.873 40 0 DFABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCc2ccccc2)c1 ZINC000001716432 425585507 /nfs/dbraw/zinc/58/55/07/425585507.db2.gz DPVIAFCXICQIMF-UHFFFAOYSA-N 2 2 321.428 2.657 40 0 DFABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC000036740360 425846180 /nfs/dbraw/zinc/84/61/80/425846180.db2.gz WGSJTHOLSRVNMB-INIZCTEOSA-N 2 2 317.408 2.951 40 0 DFABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC000036740360 425846181 /nfs/dbraw/zinc/84/61/81/425846181.db2.gz WGSJTHOLSRVNMB-INIZCTEOSA-N 2 2 317.408 2.951 40 0 DFABLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3c1OCCO3)CCC2 ZINC000084257808 426235084 /nfs/dbraw/zinc/23/50/84/426235084.db2.gz HLFUCNAPZJPLCG-OAHLLOKOSA-N 2 2 313.401 2.630 40 0 DFABLP c1csc(C[N@@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000096048547 426390974 /nfs/dbraw/zinc/39/09/74/426390974.db2.gz BGAUJLZCNIIICF-GOEBONIOSA-N 2 2 303.431 2.941 40 0 DFABLP c1csc(C[N@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000096048547 426390978 /nfs/dbraw/zinc/39/09/78/426390978.db2.gz BGAUJLZCNIIICF-GOEBONIOSA-N 2 2 303.431 2.941 40 0 DFABLP c1ccc(N[C@H]2COC3(C2)CC[NH+](Cc2ccncc2)CC3)[nH+]c1 ZINC000096221298 426409838 /nfs/dbraw/zinc/40/98/38/426409838.db2.gz RYZHXCBYJDFURB-QGZVFWFLSA-N 2 2 324.428 2.712 40 0 DFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000192009611 427462674 /nfs/dbraw/zinc/46/26/74/427462674.db2.gz UHMDKXRLUKDWCV-SFHVURJKSA-N 2 2 322.416 2.609 40 0 DFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000192009611 427462679 /nfs/dbraw/zinc/46/26/79/427462679.db2.gz UHMDKXRLUKDWCV-SFHVURJKSA-N 2 2 322.416 2.609 40 0 DFABLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000195529992 274277759 /nfs/dbraw/zinc/27/77/59/274277759.db2.gz CQYGSRUFGFHXGH-HNAYVOBHSA-N 2 2 323.440 2.711 40 0 DFABLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000195529992 274277760 /nfs/dbraw/zinc/27/77/60/274277760.db2.gz CQYGSRUFGFHXGH-HNAYVOBHSA-N 2 2 323.440 2.711 40 0 DFABLP Cc1[nH+]ccn1-c1nc2ccc(C)cc2nc1-n1cc[nH+]c1C ZINC000005530213 282200033 /nfs/dbraw/zinc/20/00/33/282200033.db2.gz GHIWVWHKJZKUAM-UHFFFAOYSA-N 2 2 304.357 2.926 40 0 DFABLP c1csc(C[N@@H+]2Cc3ccnn3[C@@H](CC[NH+]3CCCC3)C2)c1 ZINC000585111790 398433453 /nfs/dbraw/zinc/43/34/53/398433453.db2.gz BXFSFUKGHLXERO-INIZCTEOSA-N 2 2 316.474 2.987 40 0 DFABLP c1csc(C[N@H+]2Cc3ccnn3[C@@H](CC[NH+]3CCCC3)C2)c1 ZINC000585111790 398433457 /nfs/dbraw/zinc/43/34/57/398433457.db2.gz BXFSFUKGHLXERO-INIZCTEOSA-N 2 2 316.474 2.987 40 0 DFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378637 191141462 /nfs/dbraw/zinc/14/14/62/191141462.db2.gz KADHQRRTOHBQJQ-QGZVFWFLSA-N 2 2 320.400 2.703 40 0 DFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378637 191141464 /nfs/dbraw/zinc/14/14/64/191141464.db2.gz KADHQRRTOHBQJQ-QGZVFWFLSA-N 2 2 320.400 2.703 40 0 DFABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3ccccc3F)CCO2)cc[nH+]1 ZINC000257276830 203006104 /nfs/dbraw/zinc/00/61/04/203006104.db2.gz NVIKVGSTYYXDMZ-MRXNPFEDSA-N 2 2 315.392 2.637 40 0 DFABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccccc3F)CCO2)cc[nH+]1 ZINC000257276830 203006108 /nfs/dbraw/zinc/00/61/08/203006108.db2.gz NVIKVGSTYYXDMZ-MRXNPFEDSA-N 2 2 315.392 2.637 40 0 DFABLP CN(C)c1cc([C@H]2CCC[N@H+](Cc3cscn3)C2)cc[nH+]1 ZINC000257343051 203063864 /nfs/dbraw/zinc/06/38/64/203063864.db2.gz ZRGRQXPLJCRKPZ-AWEZNQCLSA-N 2 2 302.447 2.984 40 0 DFABLP CN(C)c1cc([C@H]2CCC[N@@H+](Cc3cscn3)C2)cc[nH+]1 ZINC000257343051 203063868 /nfs/dbraw/zinc/06/38/68/203063868.db2.gz ZRGRQXPLJCRKPZ-AWEZNQCLSA-N 2 2 302.447 2.984 40 0 DFABLP Cc1cc(N2CC[NH+](CC(C)C)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019698257 425789576 /nfs/dbraw/zinc/78/95/76/425789576.db2.gz GWOZUDNYYIAUMY-KRWDZBQOSA-N 3 2 302.466 2.593 40 0 DFABLP c1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cc1 ZINC000107226097 425986242 /nfs/dbraw/zinc/98/62/42/425986242.db2.gz ZFGZXWFEFLNVAI-IEBWSBKVSA-N 2 2 309.413 2.927 40 0 DFABLP c1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cc1 ZINC000107226097 425986244 /nfs/dbraw/zinc/98/62/44/425986244.db2.gz ZFGZXWFEFLNVAI-IEBWSBKVSA-N 2 2 309.413 2.927 40 0 DFABLP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)nc1 ZINC000096046954 426391209 /nfs/dbraw/zinc/39/12/09/426391209.db2.gz BPWAAOKHTGOQAN-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)nc1 ZINC000096046954 426391212 /nfs/dbraw/zinc/39/12/12/426391212.db2.gz BPWAAOKHTGOQAN-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)nc1 ZINC000096046954 426391215 /nfs/dbraw/zinc/39/12/15/426391215.db2.gz BPWAAOKHTGOQAN-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)nc1 ZINC000096046954 426391217 /nfs/dbraw/zinc/39/12/17/426391217.db2.gz BPWAAOKHTGOQAN-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP Fc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC000096053801 426392381 /nfs/dbraw/zinc/39/23/81/426392381.db2.gz BYCRVBWDJKWOGE-IAGOWNOFSA-N 2 2 311.404 2.785 40 0 DFABLP CC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(OC)cc3)C2)C1 ZINC000096049595 426392728 /nfs/dbraw/zinc/39/27/28/426392728.db2.gz UHEPUVVZACRTQO-LJQANCHMSA-N 2 2 318.461 2.630 40 0 DFABLP CC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(OC)cc3)C2)C1 ZINC000096049595 426392729 /nfs/dbraw/zinc/39/27/29/426392729.db2.gz UHEPUVVZACRTQO-LJQANCHMSA-N 2 2 318.461 2.630 40 0 DFABLP CC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(OC)cc3)C2)C1 ZINC000096049595 426392731 /nfs/dbraw/zinc/39/27/31/426392731.db2.gz UHEPUVVZACRTQO-LJQANCHMSA-N 2 2 318.461 2.630 40 0 DFABLP CC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(OC)cc3)C2)C1 ZINC000096049595 426392732 /nfs/dbraw/zinc/39/27/32/426392732.db2.gz UHEPUVVZACRTQO-LJQANCHMSA-N 2 2 318.461 2.630 40 0 DFABLP C[NH+](C)CC[C@@H]1C[N@H+](Cc2cccc(F)c2)Cc2ccnn21 ZINC000248149775 426983112 /nfs/dbraw/zinc/98/31/12/426983112.db2.gz WYCLXIYKNLTMPU-QGZVFWFLSA-N 2 2 302.397 2.531 40 0 DFABLP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ccnn21 ZINC000248149775 426983117 /nfs/dbraw/zinc/98/31/17/426983117.db2.gz WYCLXIYKNLTMPU-QGZVFWFLSA-N 2 2 302.397 2.531 40 0 DFABLP C[NH+](C)CC[C@H]1C[N@H+](Cc2cccc(F)c2)Cc2ccnn21 ZINC000248149771 426983578 /nfs/dbraw/zinc/98/35/78/426983578.db2.gz WYCLXIYKNLTMPU-KRWDZBQOSA-N 2 2 302.397 2.531 40 0 DFABLP C[NH+](C)CC[C@H]1C[N@@H+](Cc2cccc(F)c2)Cc2ccnn21 ZINC000248149771 426983581 /nfs/dbraw/zinc/98/35/81/426983581.db2.gz WYCLXIYKNLTMPU-KRWDZBQOSA-N 2 2 302.397 2.531 40 0 DFABLP Cc1nn(C)c(C)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000585140972 398436194 /nfs/dbraw/zinc/43/61/94/398436194.db2.gz MVZGZMDJTZKDAU-WKILWMFISA-N 2 2 313.449 2.708 40 0 DFABLP Cc1ncsc1C[N@H+]1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257300667 203026409 /nfs/dbraw/zinc/02/64/09/203026409.db2.gz RVGCBJVEPGIFPC-AWEZNQCLSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1ncsc1C[N@@H+]1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257300667 203026413 /nfs/dbraw/zinc/02/64/13/203026413.db2.gz RVGCBJVEPGIFPC-AWEZNQCLSA-N 2 2 317.462 2.640 40 0 DFABLP CC1CC[NH+](C2CC[NH+](C[C@H](O)c3cccs3)CC2)CC1 ZINC000019496846 182124926 /nfs/dbraw/zinc/12/49/26/182124926.db2.gz ZWBLXKQDBBXOLU-INIZCTEOSA-N 2 2 308.491 2.978 40 0 DFABLP CC1CC[NH+](C2CC[NH+](C[C@@H](O)c3cccs3)CC2)CC1 ZINC000019496845 182125233 /nfs/dbraw/zinc/12/52/33/182125233.db2.gz ZWBLXKQDBBXOLU-MRXNPFEDSA-N 2 2 308.491 2.978 40 0 DFABLP Cc1ccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228931907 257214602 /nfs/dbraw/zinc/21/46/02/257214602.db2.gz JFNXMRLZONOLPZ-UHFFFAOYSA-N 2 2 322.416 2.671 40 0 DFABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCc2ccccc2)cc1 ZINC000001716433 425584295 /nfs/dbraw/zinc/58/42/95/425584295.db2.gz CHDGHUKZJREWGV-UHFFFAOYSA-N 2 2 321.428 2.657 40 0 DFABLP C[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000096185668 426404422 /nfs/dbraw/zinc/40/44/22/426404422.db2.gz CMQGTUCOSSQKHL-ZACQAIPSSA-N 2 2 316.474 2.539 40 0 DFABLP C[N@H+]1[C@@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000096185668 426404425 /nfs/dbraw/zinc/40/44/25/426404425.db2.gz CMQGTUCOSSQKHL-ZACQAIPSSA-N 2 2 316.474 2.539 40 0 DFABLP C[NH+]1[C@@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21 ZINC000096185668 426404427 /nfs/dbraw/zinc/40/44/27/426404427.db2.gz CMQGTUCOSSQKHL-ZACQAIPSSA-N 2 2 316.474 2.539 40 0 DFABLP C[NH+]1[C@@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000096185668 426404431 /nfs/dbraw/zinc/40/44/31/426404431.db2.gz CMQGTUCOSSQKHL-ZACQAIPSSA-N 2 2 316.474 2.539 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccco4)C[C@@H]3C2)c1 ZINC000096053847 426392814 /nfs/dbraw/zinc/39/28/14/426392814.db2.gz GEQMYQMFNMOKHV-HOTGVXAUSA-N 2 2 300.377 2.983 40 0 DFABLP Fc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096053802 426393376 /nfs/dbraw/zinc/39/33/76/426393376.db2.gz BYCRVBWDJKWOGE-IRXDYDNUSA-N 2 2 311.404 2.785 40 0 DFABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccc(OC)cc3)CC2)[N@@H+]1C ZINC000096208744 426407990 /nfs/dbraw/zinc/40/79/90/426407990.db2.gz PXDJTXGDYFORLX-KRWDZBQOSA-N 2 2 318.461 2.770 40 0 DFABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccc(OC)cc3)CC2)[N@H+]1C ZINC000096208744 426407992 /nfs/dbraw/zinc/40/79/92/426407992.db2.gz PXDJTXGDYFORLX-KRWDZBQOSA-N 2 2 318.461 2.770 40 0 DFABLP COc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000195536474 426537423 /nfs/dbraw/zinc/53/74/23/426537423.db2.gz JBIJADGSYQSMOG-HOTGVXAUSA-N 2 2 304.434 2.729 40 0 DFABLP COc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000195536474 426537428 /nfs/dbraw/zinc/53/74/28/426537428.db2.gz JBIJADGSYQSMOG-HOTGVXAUSA-N 2 2 304.434 2.729 40 0 DFABLP c1csc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@H]32)c1 ZINC000247831542 426961870 /nfs/dbraw/zinc/96/18/70/426961870.db2.gz LOOWRQSBBHDMPO-FVQBIDKESA-N 2 2 303.431 2.624 40 0 DFABLP c1csc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@H]32)c1 ZINC000247831542 426961877 /nfs/dbraw/zinc/96/18/77/426961877.db2.gz LOOWRQSBBHDMPO-FVQBIDKESA-N 2 2 303.431 2.624 40 0 DFABLP C[NH+](C)CC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ccnn21 ZINC000248140259 426984079 /nfs/dbraw/zinc/98/40/79/426984079.db2.gz SZALJQATZWAUPC-QGZVFWFLSA-N 2 2 302.397 2.531 40 0 DFABLP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2ccnn21 ZINC000248140259 426984083 /nfs/dbraw/zinc/98/40/83/426984083.db2.gz SZALJQATZWAUPC-QGZVFWFLSA-N 2 2 302.397 2.531 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257248989 427325358 /nfs/dbraw/zinc/32/53/58/427325358.db2.gz JGDXHQAHGNKEIP-CQSZACIVSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257248989 427325362 /nfs/dbraw/zinc/32/53/62/427325362.db2.gz JGDXHQAHGNKEIP-CQSZACIVSA-N 2 2 317.462 2.640 40 0 DFABLP CN(C)c1cc([C@@H]2CCC[N@H+](CC3CCOCC3)C2)cc[nH+]1 ZINC000257268097 427326958 /nfs/dbraw/zinc/32/69/58/427326958.db2.gz MKESQVUBKQPPCR-QGZVFWFLSA-N 2 2 303.450 2.754 40 0 DFABLP CN(C)c1cc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)cc[nH+]1 ZINC000257268097 427326961 /nfs/dbraw/zinc/32/69/61/427326961.db2.gz MKESQVUBKQPPCR-QGZVFWFLSA-N 2 2 303.450 2.754 40 0 DFABLP Fc1ccc([C@H]2OCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000192137915 427490349 /nfs/dbraw/zinc/49/03/49/427490349.db2.gz LXIIGKBGNZOCRU-HZPDHXFCSA-N 2 2 307.344 2.671 40 0 DFABLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000192577659 427565688 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427330998 /nfs/dbraw/zinc/33/09/98/427330998.db2.gz PCTXBCQVIGYNMP-AWEZNQCLSA-N 2 2 302.447 2.984 40 0 DFABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccccc3OC)CC2)[N@@H+]1C ZINC000096215452 274045547 /nfs/dbraw/zinc/04/55/47/274045547.db2.gz VDDAEBLGDRJBSJ-KRWDZBQOSA-N 2 2 318.461 2.770 40 0 DFABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccccc3OC)CC2)[N@H+]1C ZINC000096215452 274045548 /nfs/dbraw/zinc/04/55/48/274045548.db2.gz VDDAEBLGDRJBSJ-KRWDZBQOSA-N 2 2 318.461 2.770 40 0 DFABLP Cc1ncsc1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000083476667 192371450 /nfs/dbraw/zinc/37/14/50/192371450.db2.gz JYDIMCLNBNCVHZ-UHFFFAOYSA-N 2 2 323.506 2.824 40 0 DFABLP CC(C)[NH2+]CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000193526859 201068849 /nfs/dbraw/zinc/06/88/49/201068849.db2.gz TZYPLWQAUDXOQG-CABCVRRESA-N 2 2 300.805 2.897 40 0 DFABLP COCC[N@@H+]1CCC[C@@H](c2cccc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257301629 203025366 /nfs/dbraw/zinc/02/53/66/203025366.db2.gz RZEKXGQRFGRHPQ-OAHLLOKOSA-N 2 2 314.433 2.616 40 0 DFABLP COCC[N@H+]1CCC[C@@H](c2cccc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257301629 203025368 /nfs/dbraw/zinc/02/53/68/203025368.db2.gz RZEKXGQRFGRHPQ-OAHLLOKOSA-N 2 2 314.433 2.616 40 0 DFABLP Cc1[nH+]c[nH]c1CN1CC[NH2+]C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000257308295 203031293 /nfs/dbraw/zinc/03/12/93/203031293.db2.gz TWFLELMGZSBRTP-GOSISDBHSA-N 2 2 314.433 2.652 40 0 DFABLP CCCCc1[nH]c(C[N@@H+]2CC[C@@H]3[C@@H](C2)CCCC(=O)N3C)c[nH+]1 ZINC000257283164 203010104 /nfs/dbraw/zinc/01/01/04/203010104.db2.gz OWZRFZFACQAKIL-GDBMZVCRSA-N 2 2 318.465 2.585 40 0 DFABLP CCCCc1[nH]c(C[N@H+]2CC[C@@H]3[C@@H](C2)CCCC(=O)N3C)c[nH+]1 ZINC000257283164 203010107 /nfs/dbraw/zinc/01/01/07/203010107.db2.gz OWZRFZFACQAKIL-GDBMZVCRSA-N 2 2 318.465 2.585 40 0 DFABLP Cc1ccc(C[N@@H+]2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)s1 ZINC000257294043 203019104 /nfs/dbraw/zinc/01/91/04/203019104.db2.gz QSEPZJYBROUEHG-MRXNPFEDSA-N 2 2 303.431 2.916 40 0 DFABLP Cc1ccc(C[N@H+]2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)s1 ZINC000257294043 203019107 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/nfs/dbraw/zinc/32/80/63/427328063.db2.gz LDKAJZDUXFNJQF-QGZVFWFLSA-N 2 2 309.413 2.994 40 0 DFABLP CC[NH+]1CCC([N@@H+]2CC[C@H](c3cc(NC)cc(C)[nH+]3)C2)CC1 ZINC000257327479 427330290 /nfs/dbraw/zinc/33/02/90/427330290.db2.gz XBMVUGJUAVDSNJ-HNNXBMFYSA-N 3 2 302.466 2.705 40 0 DFABLP CC[NH+]1CCC([N@H+]2CC[C@H](c3cc(NC)cc(C)[nH+]3)C2)CC1 ZINC000257327479 427330301 /nfs/dbraw/zinc/33/03/01/427330301.db2.gz XBMVUGJUAVDSNJ-HNNXBMFYSA-N 3 2 302.466 2.705 40 0 DFABLP C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000192119258 427483158 /nfs/dbraw/zinc/48/31/58/427483158.db2.gz ZZQWLAJPFSNDRM-OLMNPRSZSA-N 2 2 324.428 2.720 40 0 DFABLP C[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000192119258 427483168 /nfs/dbraw/zinc/48/31/68/427483168.db2.gz ZZQWLAJPFSNDRM-OLMNPRSZSA-N 2 2 324.428 2.720 40 0 DFABLP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000192137933 427489589 /nfs/dbraw/zinc/48/95/89/427489589.db2.gz LXIIGKBGNZOCRU-HOTGVXAUSA-N 2 2 307.344 2.671 40 0 DFABLP CNc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cnccn2)[nH+]1 ZINC000257256417 277303036 /nfs/dbraw/zinc/30/30/36/277303036.db2.gz KLKFCNYAAXUOSM-KRWDZBQOSA-N 2 2 311.433 2.901 40 0 DFABLP CNc1cccc(CC[C@@H]2CCCC[N@H+]2Cc2cnccn2)[nH+]1 ZINC000257256417 277303038 /nfs/dbraw/zinc/30/30/38/277303038.db2.gz KLKFCNYAAXUOSM-KRWDZBQOSA-N 2 2 311.433 2.901 40 0 DFABLP CCn1c(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)nc2ccccc21 ZINC000083843338 323208759 /nfs/dbraw/zinc/20/87/59/323208759.db2.gz ZBMDZNAVUZYXLK-AWEZNQCLSA-N 2 2 309.417 2.920 40 0 DFABLP Cc1nn(C)c(Cl)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000078847160 185120591 /nfs/dbraw/zinc/12/05/91/185120591.db2.gz SKMUQQLJNRYJHV-UHFFFAOYSA-N 2 2 307.829 2.759 40 0 DFABLP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079434342 185171592 /nfs/dbraw/zinc/17/15/92/185171592.db2.gz UZTDUOPAVXIZCE-DLBZAZTESA-N 2 2 318.461 2.800 40 0 DFABLP COc1cccc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079434342 185171593 /nfs/dbraw/zinc/17/15/93/185171593.db2.gz UZTDUOPAVXIZCE-DLBZAZTESA-N 2 2 318.461 2.800 40 0 DFABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072355599 191129973 /nfs/dbraw/zinc/12/99/73/191129973.db2.gz RENDITDBWPRUGQ-QGZVFWFLSA-N 2 2 322.416 2.646 40 0 DFABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072355599 191129974 /nfs/dbraw/zinc/12/99/74/191129974.db2.gz RENDITDBWPRUGQ-QGZVFWFLSA-N 2 2 322.416 2.646 40 0 DFABLP COc1ccc(C([NH3+])(c2ccc(OC)cc2)[C@H]([NH3+])C(C)C)cc1 ZINC000022029154 286291035 /nfs/dbraw/zinc/29/10/35/286291035.db2.gz WDYGPMAMBXJESZ-GOSISDBHSA-N 2 2 314.429 2.889 40 0 DFABLP CCCCc1noc([C@@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)n1 ZINC000084746900 426244557 /nfs/dbraw/zinc/24/45/57/426244557.db2.gz LIGPRSGTVCEZKP-CHWSQXEVSA-N 2 2 303.410 2.837 40 0 DFABLP C[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000085423404 426251025 /nfs/dbraw/zinc/25/10/25/426251025.db2.gz JTCTWZIAEFDKME-KBPBESRZSA-N 2 2 321.469 2.623 40 0 DFABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158043 426402148 /nfs/dbraw/zinc/40/21/48/426402148.db2.gz GRPIMYQFUTXKRC-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158043 426402152 /nfs/dbraw/zinc/40/21/52/426402152.db2.gz GRPIMYQFUTXKRC-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)nc1 ZINC000096158043 426402155 /nfs/dbraw/zinc/40/21/55/426402155.db2.gz GRPIMYQFUTXKRC-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)nc1 ZINC000096158043 426402159 /nfs/dbraw/zinc/40/21/59/426402159.db2.gz GRPIMYQFUTXKRC-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)o1 ZINC000096048915 426393751 /nfs/dbraw/zinc/39/37/51/426393751.db2.gz ZUMOMVWJKKPMRX-UHFFFAOYSA-N 2 2 304.434 2.665 40 0 DFABLP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)o1 ZINC000096048915 426393754 /nfs/dbraw/zinc/39/37/54/426393754.db2.gz ZUMOMVWJKKPMRX-UHFFFAOYSA-N 2 2 304.434 2.665 40 0 DFABLP c1[nH+]cn2c1C[N@H+](CC1CCC1)C[C@H](COCC1CCC1)C2 ZINC000096209751 426408541 /nfs/dbraw/zinc/40/85/41/426408541.db2.gz JFDVVYYQMXNZJY-KRWDZBQOSA-N 2 2 303.450 2.932 40 0 DFABLP c1[nH+]cn2c1C[N@@H+](CC1CCC1)C[C@H](COCC1CCC1)C2 ZINC000096209751 426408542 /nfs/dbraw/zinc/40/85/42/426408542.db2.gz JFDVVYYQMXNZJY-KRWDZBQOSA-N 2 2 303.450 2.932 40 0 DFABLP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000096218176 426409394 /nfs/dbraw/zinc/40/93/94/426409394.db2.gz OIQYZXVHHRGNEC-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000096218176 426409396 /nfs/dbraw/zinc/40/93/96/426409396.db2.gz OIQYZXVHHRGNEC-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000096218176 426409400 /nfs/dbraw/zinc/40/94/00/426409400.db2.gz OIQYZXVHHRGNEC-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000096218176 426409402 /nfs/dbraw/zinc/40/94/02/426409402.db2.gz OIQYZXVHHRGNEC-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP c1csc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@@H]32)c1 ZINC000096250225 426411214 /nfs/dbraw/zinc/41/12/14/426411214.db2.gz LOOWRQSBBHDMPO-VNQPRFMTSA-N 2 2 303.431 2.624 40 0 DFABLP c1csc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@@H]32)c1 ZINC000096250225 426411217 /nfs/dbraw/zinc/41/12/17/426411217.db2.gz LOOWRQSBBHDMPO-VNQPRFMTSA-N 2 2 303.431 2.624 40 0 DFABLP c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccsc2)c[nH+]1 ZINC000247925260 426965230 /nfs/dbraw/zinc/96/52/30/426965230.db2.gz ATHXBAGJSTZQTI-ARFHVFGLSA-N 2 2 303.431 2.624 40 0 DFABLP c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccsc2)c[nH+]1 ZINC000247925260 426965233 /nfs/dbraw/zinc/96/52/33/426965233.db2.gz ATHXBAGJSTZQTI-ARFHVFGLSA-N 2 2 303.431 2.624 40 0 DFABLP C[NH+](C)CC[C@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000248074138 426979175 /nfs/dbraw/zinc/97/91/75/426979175.db2.gz BKTMVAZLWRYWLP-HNNXBMFYSA-N 2 2 308.853 2.883 40 0 DFABLP Cc1[nH+]c[nH]c1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)C[N@H+]2C ZINC000257223737 427316261 /nfs/dbraw/zinc/31/62/61/427316261.db2.gz DYQIOAMCEHZGSF-ZHALLVOQSA-N 2 2 310.445 2.638 40 0 DFABLP Cc1[nH+]c[nH]c1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)C[N@@H+]2C ZINC000257223737 427316266 /nfs/dbraw/zinc/31/62/66/427316266.db2.gz DYQIOAMCEHZGSF-ZHALLVOQSA-N 2 2 310.445 2.638 40 0 DFABLP CN(C)c1cc([C@H]2CCC[N@H+](CC3CCOCC3)C2)cc[nH+]1 ZINC000257268096 427327318 /nfs/dbraw/zinc/32/73/18/427327318.db2.gz MKESQVUBKQPPCR-KRWDZBQOSA-N 2 2 303.450 2.754 40 0 DFABLP CN(C)c1cc([C@H]2CCC[N@@H+](CC3CCOCC3)C2)cc[nH+]1 ZINC000257268096 427327324 /nfs/dbraw/zinc/32/73/24/427327324.db2.gz MKESQVUBKQPPCR-KRWDZBQOSA-N 2 2 303.450 2.754 40 0 DFABLP COCCOc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000083911792 192390926 /nfs/dbraw/zinc/39/09/26/192390926.db2.gz JMXDRRGHOVGDKK-MRXNPFEDSA-N 2 2 315.417 2.576 40 0 DFABLP Cc1cc(CC2CCN(C(=O)CC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000257306059 203029080 /nfs/dbraw/zinc/02/90/80/203029080.db2.gz SSTAMROWDMUZFB-UHFFFAOYSA-N 2 2 315.461 2.657 40 0 DFABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000257282385 203011063 /nfs/dbraw/zinc/01/10/63/203011063.db2.gz OTODCTZKVJOUNH-OAHLLOKOSA-N 2 2 302.447 2.937 40 0 DFABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000257282385 203011065 /nfs/dbraw/zinc/01/10/65/203011065.db2.gz OTODCTZKVJOUNH-OAHLLOKOSA-N 2 2 302.447 2.937 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257330053 203053732 /nfs/dbraw/zinc/05/37/32/203053732.db2.gz XMPAKVPKXRQGPO-OAHLLOKOSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257330053 203053736 /nfs/dbraw/zinc/05/37/36/203053736.db2.gz XMPAKVPKXRQGPO-OAHLLOKOSA-N 2 2 317.462 2.640 40 0 DFABLP COCCNc1[nH+]c([C@@H]2CCC[NH2+]C2)cc2cc(OC)ccc21 ZINC000257315745 203040200 /nfs/dbraw/zinc/04/02/00/203040200.db2.gz VCPGNHAJJJMSOT-CYBMUJFWSA-N 2 2 315.417 2.769 40 0 DFABLP CN(C)c1cc([C@@H]2CCC[N@H+](Cc3cscn3)C2)cc[nH+]1 ZINC000257343052 203064292 /nfs/dbraw/zinc/06/42/92/203064292.db2.gz ZRGRQXPLJCRKPZ-CQSZACIVSA-N 2 2 302.447 2.984 40 0 DFABLP CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)cc[nH+]1 ZINC000257343052 203064296 /nfs/dbraw/zinc/06/42/96/203064296.db2.gz ZRGRQXPLJCRKPZ-CQSZACIVSA-N 2 2 302.447 2.984 40 0 DFABLP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2ccc(Cl)c(F)c2)CC1 ZINC000195557918 399185718 /nfs/dbraw/zinc/18/57/18/399185718.db2.gz VBSLKHIVQGQIKL-MRXNPFEDSA-N 2 2 314.832 2.975 40 0 DFABLP Fc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293895 182113803 /nfs/dbraw/zinc/11/38/03/182113803.db2.gz QRLPSYUQCRKAFM-KRWDZBQOSA-N 2 2 312.392 2.599 40 0 DFABLP Fc1cccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293895 182113804 /nfs/dbraw/zinc/11/38/04/182113804.db2.gz QRLPSYUQCRKAFM-KRWDZBQOSA-N 2 2 312.392 2.599 40 0 DFABLP Cc1c(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cnn1Cc1ccccc1 ZINC000012188695 425722555 /nfs/dbraw/zinc/72/25/55/425722555.db2.gz NMEJSSSSTMFDKM-GOSISDBHSA-N 2 2 312.461 2.623 40 0 DFABLP Cc1c(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cnn1Cc1ccccc1 ZINC000012188695 425722558 /nfs/dbraw/zinc/72/25/58/425722558.db2.gz NMEJSSSSTMFDKM-GOSISDBHSA-N 2 2 312.461 2.623 40 0 DFABLP Cc1c(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cnn1Cc1ccccc1 ZINC000012188695 425722561 /nfs/dbraw/zinc/72/25/61/425722561.db2.gz NMEJSSSSTMFDKM-GOSISDBHSA-N 2 2 312.461 2.623 40 0 DFABLP Cc1c(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cnn1Cc1ccccc1 ZINC000012188695 425722562 /nfs/dbraw/zinc/72/25/62/425722562.db2.gz NMEJSSSSTMFDKM-GOSISDBHSA-N 2 2 312.461 2.623 40 0 DFABLP c1cn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccsc2)c[nH+]1 ZINC000107257270 425986844 /nfs/dbraw/zinc/98/68/44/425986844.db2.gz ATHXBAGJSTZQTI-JYJNAYRXSA-N 2 2 303.431 2.624 40 0 DFABLP c1cn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccsc2)c[nH+]1 ZINC000107257270 425986846 /nfs/dbraw/zinc/98/68/46/425986846.db2.gz ATHXBAGJSTZQTI-JYJNAYRXSA-N 2 2 303.431 2.624 40 0 DFABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccoc4)C3)C2)cn1 ZINC000096046975 426390472 /nfs/dbraw/zinc/39/04/72/426390472.db2.gz LBPJRXTWMYNCLZ-SFHVURJKSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccoc4)C3)C2)cn1 ZINC000096046975 426390475 /nfs/dbraw/zinc/39/04/75/426390475.db2.gz LBPJRXTWMYNCLZ-SFHVURJKSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccoc4)C3)C2)cn1 ZINC000096046975 426390479 /nfs/dbraw/zinc/39/04/79/426390479.db2.gz LBPJRXTWMYNCLZ-SFHVURJKSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccoc4)C3)C2)cn1 ZINC000096046975 426390483 /nfs/dbraw/zinc/39/04/83/426390483.db2.gz LBPJRXTWMYNCLZ-SFHVURJKSA-N 2 2 314.433 2.501 40 0 DFABLP CC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000096049593 426392554 /nfs/dbraw/zinc/39/25/54/426392554.db2.gz DNMPCECJMZWQMP-GOSISDBHSA-N 2 2 306.425 2.760 40 0 DFABLP CC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000096049593 426392557 /nfs/dbraw/zinc/39/25/57/426392557.db2.gz DNMPCECJMZWQMP-GOSISDBHSA-N 2 2 306.425 2.760 40 0 DFABLP CC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096049593 426392560 /nfs/dbraw/zinc/39/25/60/426392560.db2.gz DNMPCECJMZWQMP-GOSISDBHSA-N 2 2 306.425 2.760 40 0 DFABLP CC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096049593 426392563 /nfs/dbraw/zinc/39/25/63/426392563.db2.gz DNMPCECJMZWQMP-GOSISDBHSA-N 2 2 306.425 2.760 40 0 DFABLP c1ccc(N[C@@H]2COC3(C2)CC[NH+](Cc2ccncc2)CC3)[nH+]c1 ZINC000096221300 426409462 /nfs/dbraw/zinc/40/94/62/426409462.db2.gz RYZHXCBYJDFURB-KRWDZBQOSA-N 2 2 324.428 2.712 40 0 DFABLP Cc1ccc(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)s1 ZINC000096259773 426410441 /nfs/dbraw/zinc/41/04/41/426410441.db2.gz FIPANHBSISTKFT-UHFFFAOYSA-N 2 2 314.414 2.848 40 0 DFABLP Cc1ccc(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)s1 ZINC000096259773 426410446 /nfs/dbraw/zinc/41/04/46/426410446.db2.gz FIPANHBSISTKFT-UHFFFAOYSA-N 2 2 314.414 2.848 40 0 DFABLP c1csc(C[N@H+]2CCO[C@@H]3[C@H](Cn4cc[nH+]c4)CC[C@@H]32)c1 ZINC000247831539 426963216 /nfs/dbraw/zinc/96/32/16/426963216.db2.gz LOOWRQSBBHDMPO-CWRNSKLLSA-N 2 2 303.431 2.624 40 0 DFABLP c1csc(C[N@@H+]2CCO[C@@H]3[C@H](Cn4cc[nH+]c4)CC[C@@H]32)c1 ZINC000247831539 426963224 /nfs/dbraw/zinc/96/32/24/426963224.db2.gz LOOWRQSBBHDMPO-CWRNSKLLSA-N 2 2 303.431 2.624 40 0 DFABLP CCc1[nH]c(C[N@@H+]2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c(C)[nH+]1 ZINC000257250127 427324291 /nfs/dbraw/zinc/32/42/91/427324291.db2.gz JLDGGVBRPFOGNZ-YJBOKZPZSA-N 2 2 318.465 2.694 40 0 DFABLP CCc1[nH]c(C[N@H+]2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c(C)[nH+]1 ZINC000257250127 427324298 /nfs/dbraw/zinc/32/42/98/427324298.db2.gz JLDGGVBRPFOGNZ-YJBOKZPZSA-N 2 2 318.465 2.694 40 0 DFABLP Cc1cn(C)c([C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257260561 427327599 /nfs/dbraw/zinc/32/75/99/427327599.db2.gz LDKAJZDUXFNJQF-KRWDZBQOSA-N 2 2 309.413 2.994 40 0 DFABLP Cc1cn(C)c([C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257260561 427327604 /nfs/dbraw/zinc/32/76/04/427327604.db2.gz LDKAJZDUXFNJQF-KRWDZBQOSA-N 2 2 309.413 2.994 40 0 DFABLP Cc1nc(Cn2cc[nH+]c2[C@@H]2C[NH2+]Cc3ccccc32)cs1 ZINC000306133228 279087018 /nfs/dbraw/zinc/08/70/18/279087018.db2.gz MFXUJPBZBYFVJD-MRXNPFEDSA-N 2 2 310.426 2.931 40 0 DFABLP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165048 341374183 /nfs/dbraw/zinc/37/41/83/341374183.db2.gz ZJCBWPZEZZIFBU-WOJBJXKFSA-N 3 2 315.505 2.782 40 0 DFABLP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248165048 341374186 /nfs/dbraw/zinc/37/41/86/341374186.db2.gz ZJCBWPZEZZIFBU-WOJBJXKFSA-N 3 2 315.505 2.782 40 0 DFABLP Cc1c(C[N@@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cnn1C ZINC000072355509 191128360 /nfs/dbraw/zinc/12/83/60/191128360.db2.gz CVAJVBRVKKZITO-KRWDZBQOSA-N 2 2 322.416 2.646 40 0 DFABLP Cc1c(C[N@H+]2CCC[C@H]2c2cccc(-n3cc[nH+]c3)n2)cnn1C ZINC000072355509 191128362 /nfs/dbraw/zinc/12/83/62/191128362.db2.gz CVAJVBRVKKZITO-KRWDZBQOSA-N 2 2 322.416 2.646 40 0 DFABLP c1cn(-c2cncc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)c[nH+]1 ZINC000072378660 191140944 /nfs/dbraw/zinc/14/09/44/191140944.db2.gz ZEGLJCCEEDLBKU-QGZVFWFLSA-N 2 2 305.385 2.999 40 0 DFABLP c1cn(-c2cncc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)c[nH+]1 ZINC000072378660 191140947 /nfs/dbraw/zinc/14/09/47/191140947.db2.gz ZEGLJCCEEDLBKU-QGZVFWFLSA-N 2 2 305.385 2.999 40 0 DFABLP CC(C)[NH2+]CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193526834 201069665 /nfs/dbraw/zinc/06/96/65/201069665.db2.gz TZYPLWQAUDXOQG-HUUCEWRRSA-N 2 2 300.805 2.897 40 0 DFABLP Nc1cc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc[nH+]1 ZINC000193446187 201052467 /nfs/dbraw/zinc/05/24/67/201052467.db2.gz JZUJLMFVCMLDLN-ZDUSSCGKSA-N 2 2 303.793 2.971 40 0 DFABLP Nc1cc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc[nH+]1 ZINC000193446187 201052471 /nfs/dbraw/zinc/05/24/71/201052471.db2.gz JZUJLMFVCMLDLN-ZDUSSCGKSA-N 2 2 303.793 2.971 40 0 DFABLP CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000195215933 201359727 /nfs/dbraw/zinc/35/97/27/201359727.db2.gz VPEAKMUWRBWQLP-YJBOKZPZSA-N 2 2 317.433 2.701 40 0 DFABLP Cc1[nH+]c[nH]c1CN1CC[NH2+]C[C@H]1c1ccc(OC(C)C)cc1 ZINC000257308296 203032725 /nfs/dbraw/zinc/03/27/25/203032725.db2.gz TWFLELMGZSBRTP-SFHVURJKSA-N 2 2 314.433 2.652 40 0 DFABLP C1CC[C@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@@H]2CCCC[N@@H+]2C3)[NH2+]C1 ZINC000063818480 425901154 /nfs/dbraw/zinc/90/11/54/425901154.db2.gz YUKCLPPRYNXRAF-FFDFYAMSSA-N 3 2 317.521 2.761 40 0 DFABLP C1CC[C@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@@H]2CCCC[N@H+]2C3)[NH2+]C1 ZINC000063818480 425901155 /nfs/dbraw/zinc/90/11/55/425901155.db2.gz YUKCLPPRYNXRAF-FFDFYAMSSA-N 3 2 317.521 2.761 40 0 DFABLP CC[C@]1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)c(Cl)c1 ZINC000005051752 425624349 /nfs/dbraw/zinc/62/43/49/425624349.db2.gz GQOSAVMJKQCTCZ-GFCCVEGCSA-N 2 2 300.193 2.569 40 0 DFABLP c1coc(C[N@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)c1 ZINC000096197102 426406777 /nfs/dbraw/zinc/40/67/77/426406777.db2.gz SZXOXEJVIHOXFA-UHFFFAOYSA-N 2 2 323.400 2.542 40 0 DFABLP c1coc(C[N@@H+]2CCc3ncc(CNc4cccc[nH+]4)n3CC2)c1 ZINC000096197102 426406780 /nfs/dbraw/zinc/40/67/80/426406780.db2.gz SZXOXEJVIHOXFA-UHFFFAOYSA-N 2 2 323.400 2.542 40 0 DFABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccco4)C3)C2)cn1 ZINC000096046972 426390256 /nfs/dbraw/zinc/39/02/56/426390256.db2.gz QXNPJKWVFSUOSX-GOSISDBHSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccco4)C3)C2)cn1 ZINC000096046972 426390258 /nfs/dbraw/zinc/39/02/58/426390258.db2.gz QXNPJKWVFSUOSX-GOSISDBHSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)cn1 ZINC000096046972 426390259 /nfs/dbraw/zinc/39/02/59/426390259.db2.gz QXNPJKWVFSUOSX-GOSISDBHSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)cn1 ZINC000096046972 426390261 /nfs/dbraw/zinc/39/02/61/426390261.db2.gz QXNPJKWVFSUOSX-GOSISDBHSA-N 2 2 314.433 2.501 40 0 DFABLP Cc1[nH+]cc(-c2cnc(C[C@H]3CCC[N@@H+](C(C)C)C3)cn2)n1C ZINC000257219263 427312714 /nfs/dbraw/zinc/31/27/14/427312714.db2.gz DGFAHXIHNXCEAG-OAHLLOKOSA-N 2 2 313.449 2.848 40 0 DFABLP Cc1[nH+]cc(-c2cnc(C[C@H]3CCC[N@H+](C(C)C)C3)cn2)n1C ZINC000257219263 427312728 /nfs/dbraw/zinc/31/27/28/427312728.db2.gz DGFAHXIHNXCEAG-OAHLLOKOSA-N 2 2 313.449 2.848 40 0 DFABLP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000192137921 427490571 /nfs/dbraw/zinc/49/05/71/427490571.db2.gz LXIIGKBGNZOCRU-CVEARBPZSA-N 2 2 307.344 2.671 40 0 DFABLP COC[C@@H]1CCn2c[nH+]cc2C[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000585096953 430478796 /nfs/dbraw/zinc/47/87/96/430478796.db2.gz FYACPFNCJGXJMF-HNNXBMFYSA-N 2 2 310.401 2.785 40 0 DFABLP COC[C@@H]1CCn2c[nH+]cc2C[N@H+]1Cc1cccc2[nH]ccc21 ZINC000585096953 430478799 /nfs/dbraw/zinc/47/87/99/430478799.db2.gz FYACPFNCJGXJMF-HNNXBMFYSA-N 2 2 310.401 2.785 40 0 DFABLP CCCCOC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000195215924 201359172 /nfs/dbraw/zinc/35/91/72/201359172.db2.gz VPEAKMUWRBWQLP-MAUKXSAKSA-N 2 2 317.433 2.701 40 0 DFABLP Cc1[nH+]cc(-c2nccnc2CC2CC[NH+](C(C)C)CC2)n1C ZINC000257285371 203011618 /nfs/dbraw/zinc/01/16/18/203011618.db2.gz PGTOPMWDOQTHEP-UHFFFAOYSA-N 2 2 313.449 2.848 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257330052 203052862 /nfs/dbraw/zinc/05/28/62/203052862.db2.gz XMPAKVPKXRQGPO-HNNXBMFYSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257330052 203052865 /nfs/dbraw/zinc/05/28/65/203052865.db2.gz XMPAKVPKXRQGPO-HNNXBMFYSA-N 2 2 317.462 2.640 40 0 DFABLP OCC[NH2+]CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000022877145 182339358 /nfs/dbraw/zinc/33/93/58/182339358.db2.gz MJVRFDRHASINIE-SFHVURJKSA-N 2 2 318.848 2.795 40 0 DFABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000023247893 182354886 /nfs/dbraw/zinc/35/48/86/182354886.db2.gz ZQSJBLIXHYUUEX-QGZVFWFLSA-N 2 2 313.445 2.719 40 0 DFABLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000023247893 182354887 /nfs/dbraw/zinc/35/48/87/182354887.db2.gz ZQSJBLIXHYUUEX-QGZVFWFLSA-N 2 2 313.445 2.719 40 0 DFABLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3c1OCCO3)CCC2 ZINC000084257803 426235493 /nfs/dbraw/zinc/23/54/93/426235493.db2.gz HLFUCNAPZJPLCG-HNNXBMFYSA-N 2 2 313.401 2.630 40 0 DFABLP COCCC[N@@H+]1CCCC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000096075268 426396810 /nfs/dbraw/zinc/39/68/10/426396810.db2.gz RGEWSIRKODJNGG-UHFFFAOYSA-N 2 2 317.477 2.857 40 0 DFABLP COCCC[N@H+]1CCCC12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000096075268 426396813 /nfs/dbraw/zinc/39/68/13/426396813.db2.gz RGEWSIRKODJNGG-UHFFFAOYSA-N 2 2 317.477 2.857 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccoc4)C[C@@H]3C2)c1 ZINC000096053853 426392618 /nfs/dbraw/zinc/39/26/18/426392618.db2.gz CSFPQQCQDXLYDI-IRXDYDNUSA-N 2 2 300.377 2.983 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053905 426393384 /nfs/dbraw/zinc/39/33/84/426393384.db2.gz NKGIUXMIBOBKQX-ROUUACIJSA-N 2 2 318.436 2.616 40 0 DFABLP c1csc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3Cn2cc[nH+]c2)c1 ZINC000247831545 426961923 /nfs/dbraw/zinc/96/19/23/426961923.db2.gz LOOWRQSBBHDMPO-NUEKZKHPSA-N 2 2 303.431 2.624 40 0 DFABLP c1csc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3Cn2cc[nH+]c2)c1 ZINC000247831545 426961927 /nfs/dbraw/zinc/96/19/27/426961927.db2.gz LOOWRQSBBHDMPO-NUEKZKHPSA-N 2 2 303.431 2.624 40 0 DFABLP C[NH+](C)CC[C@H]1CN(Cc2ccccc2F)Cc2c[nH+]cn21 ZINC000248140402 426984429 /nfs/dbraw/zinc/98/44/29/426984429.db2.gz TZLPRRSMKIYKNC-HNNXBMFYSA-N 2 2 302.397 2.531 40 0 DFABLP CC[NH+](CC)CC[C@@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21 ZINC000248273373 426988800 /nfs/dbraw/zinc/98/88/00/426988800.db2.gz XDIIMWJKJDVSQT-MRXNPFEDSA-N 2 2 302.422 2.765 40 0 DFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257209337 427311709 /nfs/dbraw/zinc/31/17/09/427311709.db2.gz BPZYFTCSJGARSV-OAHLLOKOSA-N 2 2 313.401 2.869 40 0 DFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257209337 427311714 /nfs/dbraw/zinc/31/17/14/427311714.db2.gz BPZYFTCSJGARSV-OAHLLOKOSA-N 2 2 313.401 2.869 40 0 DFABLP COCCOc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CCCCC[C@H]32)c1 ZINC000019712062 398408595 /nfs/dbraw/zinc/40/85/95/398408595.db2.gz BGMHWOBSSMEMDW-RBUKOAKNSA-N 2 2 318.461 2.818 40 0 DFABLP COCCOc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCCCC[C@H]32)c1 ZINC000019712062 398408599 /nfs/dbraw/zinc/40/85/99/398408599.db2.gz BGMHWOBSSMEMDW-RBUKOAKNSA-N 2 2 318.461 2.818 40 0 DFABLP CC(C)(C[NH2+]Cc1ccncc1N)[N@@H+]1CCc2ccccc2C1 ZINC000585141045 398435812 /nfs/dbraw/zinc/43/58/12/398435812.db2.gz OCSBRCMNURMNHW-UHFFFAOYSA-N 2 2 310.445 2.590 40 0 DFABLP CC(C)(C[NH2+]Cc1ccncc1N)[N@H+]1CCc2ccccc2C1 ZINC000585141045 398435814 /nfs/dbraw/zinc/43/58/14/398435814.db2.gz OCSBRCMNURMNHW-UHFFFAOYSA-N 2 2 310.445 2.590 40 0 DFABLP COCCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000083911789 192390180 /nfs/dbraw/zinc/39/01/80/192390180.db2.gz JMXDRRGHOVGDKK-INIZCTEOSA-N 2 2 315.417 2.576 40 0 DFABLP CCCCOC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000195215945 201360293 /nfs/dbraw/zinc/36/02/93/201360293.db2.gz VPEAKMUWRBWQLP-CRAIPNDOSA-N 2 2 317.433 2.701 40 0 DFABLP c1cn(CCCC[NH2+]Cc2cccc3c2OCCCO3)c[nH+]1 ZINC000079923422 399096908 /nfs/dbraw/zinc/09/69/08/399096908.db2.gz KHYHMDRHUNDTNR-UHFFFAOYSA-N 2 2 301.390 2.614 40 0 DFABLP CN(C)c1cc([C@@H]2CCC[N@H+](Cc3nccs3)C2)cc[nH+]1 ZINC000257293963 203020062 /nfs/dbraw/zinc/02/00/62/203020062.db2.gz QRWMOUPNLNXQJQ-CQSZACIVSA-N 2 2 302.447 2.984 40 0 DFABLP CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3nccs3)C2)cc[nH+]1 ZINC000257293963 203020065 /nfs/dbraw/zinc/02/00/65/203020065.db2.gz QRWMOUPNLNXQJQ-CQSZACIVSA-N 2 2 302.447 2.984 40 0 DFABLP Cn1cc(-c2c[nH+]cn2[C@@H](CC[NH+](C)C)c2ccccc2)cn1 ZINC000019719484 182137087 /nfs/dbraw/zinc/13/70/87/182137087.db2.gz QMYYBMMWRITQNS-KRWDZBQOSA-N 2 2 309.417 2.825 40 0 DFABLP [NH3+][C@H](CCCC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608377 425583647 /nfs/dbraw/zinc/58/36/47/425583647.db2.gz JITNRAXEOGIKMS-HDICACEKSA-N 2 2 324.424 2.967 40 0 DFABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC000036740361 425846213 /nfs/dbraw/zinc/84/62/13/425846213.db2.gz WGSJTHOLSRVNMB-MRXNPFEDSA-N 2 2 317.408 2.951 40 0 DFABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC000036740361 425846214 /nfs/dbraw/zinc/84/62/14/425846214.db2.gz WGSJTHOLSRVNMB-MRXNPFEDSA-N 2 2 317.408 2.951 40 0 DFABLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1nc(C(C)(C)C)no1 ZINC000084667596 426242790 /nfs/dbraw/zinc/24/27/90/426242790.db2.gz ZMFGRLDQTTYQSA-RYUDHWBXSA-N 2 2 303.410 2.792 40 0 DFABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(Cc2cccs2)C1 ZINC000096188274 426405152 /nfs/dbraw/zinc/40/51/52/426405152.db2.gz DQZHJFHQLZIVCU-HNNXBMFYSA-N 2 2 318.490 2.918 40 0 DFABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccco1)CC2 ZINC000096037051 426389242 /nfs/dbraw/zinc/38/92/42/426389242.db2.gz MOXDZGYZQDKJNK-UHFFFAOYSA-N 2 2 314.433 2.611 40 0 DFABLP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)nc1 ZINC000096046953 426390285 /nfs/dbraw/zinc/39/02/85/426390285.db2.gz BPWAAOKHTGOQAN-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)nc1 ZINC000096046953 426390287 /nfs/dbraw/zinc/39/02/87/426390287.db2.gz BPWAAOKHTGOQAN-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)nc1 ZINC000096046953 426390288 /nfs/dbraw/zinc/39/02/88/426390288.db2.gz BPWAAOKHTGOQAN-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)nc1 ZINC000096046953 426390290 /nfs/dbraw/zinc/39/02/90/426390290.db2.gz BPWAAOKHTGOQAN-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP Fc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096053800 426392423 /nfs/dbraw/zinc/39/24/23/426392423.db2.gz BYCRVBWDJKWOGE-CALCHBBNSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096053800 426392427 /nfs/dbraw/zinc/39/24/27/426392427.db2.gz BYCRVBWDJKWOGE-CALCHBBNSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096053800 426392430 /nfs/dbraw/zinc/39/24/30/426392430.db2.gz BYCRVBWDJKWOGE-CALCHBBNSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096053800 426392433 /nfs/dbraw/zinc/39/24/33/426392433.db2.gz BYCRVBWDJKWOGE-CALCHBBNSA-N 2 2 311.404 2.785 40 0 DFABLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CC[C@H]32)n1 ZINC000096249229 426411346 /nfs/dbraw/zinc/41/13/46/426411346.db2.gz BAPCCJNRVAAEOP-HZPDHXFCSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CC[C@H]32)n1 ZINC000096249229 426411349 /nfs/dbraw/zinc/41/13/49/426411349.db2.gz BAPCCJNRVAAEOP-HZPDHXFCSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CC[C@H]32)n1 ZINC000096249229 426411356 /nfs/dbraw/zinc/41/13/56/426411356.db2.gz BAPCCJNRVAAEOP-HZPDHXFCSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@H]32)n1 ZINC000096249229 426411358 /nfs/dbraw/zinc/41/13/58/426411358.db2.gz BAPCCJNRVAAEOP-HZPDHXFCSA-N 2 2 314.458 2.635 40 0 DFABLP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000195535724 426536588 /nfs/dbraw/zinc/53/65/88/426536588.db2.gz UZTDUOPAVXIZCE-IRXDYDNUSA-N 2 2 318.461 2.800 40 0 DFABLP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000195535724 426536592 /nfs/dbraw/zinc/53/65/92/426536592.db2.gz UZTDUOPAVXIZCE-IRXDYDNUSA-N 2 2 318.461 2.800 40 0 DFABLP Cc1ccc(CN2Cc3c[nH+]cn3[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000248056421 426977601 /nfs/dbraw/zinc/97/76/01/426977601.db2.gz CCEUEASDYWBSLA-KRWDZBQOSA-N 2 2 314.433 2.827 40 0 DFABLP Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3Cn2cc[nH+]c2)s1 ZINC000248087697 426979732 /nfs/dbraw/zinc/97/97/32/426979732.db2.gz KNRAVIJKLGZMSQ-USXIJHARSA-N 2 2 317.458 2.933 40 0 DFABLP Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3Cn2cc[nH+]c2)s1 ZINC000248087697 426979739 /nfs/dbraw/zinc/97/97/39/426979739.db2.gz KNRAVIJKLGZMSQ-USXIJHARSA-N 2 2 317.458 2.933 40 0 DFABLP C[NH+](C)CC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2c[nH+]cn21 ZINC000248122997 426980250 /nfs/dbraw/zinc/98/02/50/426980250.db2.gz NRNPGJXXGHVZHO-AWEZNQCLSA-N 2 2 320.387 2.670 40 0 DFABLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000193050964 427658966 /nfs/dbraw/zinc/65/89/66/427658966.db2.gz UDVQRNQODPHGKR-NVXWUHKLSA-N 2 2 307.438 2.626 40 0 DFABLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000193050964 427658973 /nfs/dbraw/zinc/65/89/73/427658973.db2.gz UDVQRNQODPHGKR-NVXWUHKLSA-N 2 2 307.438 2.626 40 0 DFABLP Cn1cc(-c2c[nH+]cn2[C@H](CC[NH+](C)C)c2ccccc2)cn1 ZINC000019719485 289185602 /nfs/dbraw/zinc/18/56/02/289185602.db2.gz QMYYBMMWRITQNS-QGZVFWFLSA-N 2 2 309.417 2.825 40 0 DFABLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)cc(OC)c1 ZINC000257336039 203058372 /nfs/dbraw/zinc/05/83/72/203058372.db2.gz YMXBMEWRKRLFNF-HNNXBMFYSA-N 2 2 315.417 2.735 40 0 DFABLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)cc(OC)c1 ZINC000257336039 203058374 /nfs/dbraw/zinc/05/83/74/203058374.db2.gz YMXBMEWRKRLFNF-HNNXBMFYSA-N 2 2 315.417 2.735 40 0 DFABLP c1ccc(C[NH+]2CCC3(CCN(c4cccc[nH+]4)C3)CC2)nc1 ZINC000096157557 193555239 /nfs/dbraw/zinc/55/52/39/193555239.db2.gz WPAJHJDPDFGXBZ-UHFFFAOYSA-N 2 2 308.429 2.969 40 0 DFABLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)nc1 ZINC000096158069 426402539 /nfs/dbraw/zinc/40/25/39/426402539.db2.gz QQBHDXGLDLKFTA-LJQANCHMSA-N 2 2 315.461 2.549 40 0 DFABLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)nc1 ZINC000096158069 426402542 /nfs/dbraw/zinc/40/25/42/426402542.db2.gz QQBHDXGLDLKFTA-LJQANCHMSA-N 2 2 315.461 2.549 40 0 DFABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)nc1 ZINC000096158069 426402543 /nfs/dbraw/zinc/40/25/43/426402543.db2.gz QQBHDXGLDLKFTA-LJQANCHMSA-N 2 2 315.461 2.549 40 0 DFABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)nc1 ZINC000096158069 426402546 /nfs/dbraw/zinc/40/25/46/426402546.db2.gz QQBHDXGLDLKFTA-LJQANCHMSA-N 2 2 315.461 2.549 40 0 DFABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188276 426404123 /nfs/dbraw/zinc/40/41/23/426404123.db2.gz ZOYYCJOQAFEBGU-INIZCTEOSA-N 2 2 318.490 2.918 40 0 DFABLP c1cc(C[N@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)cs1 ZINC000096216551 426408434 /nfs/dbraw/zinc/40/84/34/426408434.db2.gz OQTXLGBCXOJIHV-DJIMGWMZSA-N 2 2 316.426 2.669 40 0 DFABLP c1cc(C[N@@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)cs1 ZINC000096216551 426408435 /nfs/dbraw/zinc/40/84/35/426408435.db2.gz OQTXLGBCXOJIHV-DJIMGWMZSA-N 2 2 316.426 2.669 40 0 DFABLP c1cc(C[N@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)cs1 ZINC000096219727 426409416 /nfs/dbraw/zinc/40/94/16/426409416.db2.gz OJSLRBJDUNESJR-WBVHZDCISA-N 2 2 315.442 2.704 40 0 DFABLP c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)cs1 ZINC000096219727 426409420 /nfs/dbraw/zinc/40/94/20/426409420.db2.gz OJSLRBJDUNESJR-WBVHZDCISA-N 2 2 315.442 2.704 40 0 DFABLP CCCCc1[nH]c(C[N@@H+]2CCCC[C@]3(C)NC(=O)CC[C@H]23)c[nH+]1 ZINC000257291481 427330799 /nfs/dbraw/zinc/33/07/99/427330799.db2.gz QHCUEOGGULAMHM-YJBOKZPZSA-N 2 2 318.465 2.776 40 0 DFABLP CCCCc1[nH]c(C[N@H+]2CCCC[C@]3(C)NC(=O)CC[C@H]23)c[nH+]1 ZINC000257291481 427330805 /nfs/dbraw/zinc/33/08/05/427330805.db2.gz QHCUEOGGULAMHM-YJBOKZPZSA-N 2 2 318.465 2.776 40 0 DFABLP CCn1c(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)nc2ccccc21 ZINC000083843339 323208755 /nfs/dbraw/zinc/20/87/55/323208755.db2.gz ZBMDZNAVUZYXLK-CQSZACIVSA-N 2 2 309.417 2.920 40 0 DFABLP Cc1cnccc1C[N@H+]1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257329599 203053073 /nfs/dbraw/zinc/05/30/73/203053073.db2.gz XKRQMJPLKRITJX-SFHVURJKSA-N 2 2 311.433 2.579 40 0 DFABLP Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257329599 203053076 /nfs/dbraw/zinc/05/30/76/203053076.db2.gz XKRQMJPLKRITJX-SFHVURJKSA-N 2 2 311.433 2.579 40 0 DFABLP COCC[N@@H+]1CCC[C@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257329401 203053395 /nfs/dbraw/zinc/05/33/95/203053395.db2.gz XJVMLADLIQGASD-INIZCTEOSA-N 2 2 300.406 2.574 40 0 DFABLP COCC[N@H+]1CCC[C@H]1c1cccc(-c2c[nH+]c(C)n2C)n1 ZINC000257329401 203053397 /nfs/dbraw/zinc/05/33/97/203053397.db2.gz XJVMLADLIQGASD-INIZCTEOSA-N 2 2 300.406 2.574 40 0 DFABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)[nH+]1 ZINC000257335719 203058699 /nfs/dbraw/zinc/05/86/99/203058699.db2.gz YLNQZINDYOFVNU-HNNXBMFYSA-N 2 2 323.444 2.995 40 0 DFABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)[nH+]1 ZINC000257335719 203058702 /nfs/dbraw/zinc/05/87/02/203058702.db2.gz YLNQZINDYOFVNU-HNNXBMFYSA-N 2 2 323.444 2.995 40 0 DFABLP c1cc(OC2CCCC2)ccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000016401559 182043662 /nfs/dbraw/zinc/04/36/62/182043662.db2.gz NNEZTDWJYPFZPT-UHFFFAOYSA-N 2 2 318.461 2.820 40 0 DFABLP Cc1ccc(C2(C[NH+]3CCN(Cc4[nH]cc[nH+]4)CC3)CC2)cc1 ZINC000019208409 182107100 /nfs/dbraw/zinc/10/71/00/182107100.db2.gz MFAVPNQLZKLRPK-UHFFFAOYSA-N 2 2 310.445 2.568 40 0 DFABLP C[C@@H](C(=O)N1CCCC[C@H]1C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439448 425811744 /nfs/dbraw/zinc/81/17/44/425811744.db2.gz QYFIXKUOZNBGRG-SJORKVTESA-N 2 2 321.509 2.726 40 0 DFABLP Cc1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc(N)[nH+]1 ZINC000078656567 426179342 /nfs/dbraw/zinc/17/93/42/426179342.db2.gz RLAJLMJIWRFNEY-UHFFFAOYSA-N 2 2 312.421 2.755 40 0 DFABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096161570 426403737 /nfs/dbraw/zinc/40/37/37/426403737.db2.gz NZBPQUSFRJBERC-HDICACEKSA-N 2 2 323.440 2.654 40 0 DFABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096161570 426403738 /nfs/dbraw/zinc/40/37/38/426403738.db2.gz NZBPQUSFRJBERC-HDICACEKSA-N 2 2 323.440 2.654 40 0 DFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096161570 426403740 /nfs/dbraw/zinc/40/37/40/426403740.db2.gz NZBPQUSFRJBERC-HDICACEKSA-N 2 2 323.440 2.654 40 0 DFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC000096161570 426403742 /nfs/dbraw/zinc/40/37/42/426403742.db2.gz NZBPQUSFRJBERC-HDICACEKSA-N 2 2 323.440 2.654 40 0 DFABLP CCCCc1[nH]c(C[NH+]2CCC3(CC2)OCCC[C@@H]3OC)c[nH+]1 ZINC000095386727 426371570 /nfs/dbraw/zinc/37/15/70/426371570.db2.gz GDYWVOVQZPFHRF-INIZCTEOSA-N 2 2 321.465 2.912 40 0 DFABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2cccs2)CC1 ZINC000096036993 426389573 /nfs/dbraw/zinc/38/95/73/426389573.db2.gz PFSREJZQPQQBSX-UHFFFAOYSA-N 2 2 316.474 2.690 40 0 DFABLP c1cc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)cs1 ZINC000096048914 426391967 /nfs/dbraw/zinc/39/19/67/426391967.db2.gz WLWUDACZMGRGOJ-UHFFFAOYSA-N 2 2 306.475 2.825 40 0 DFABLP c1cc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)cs1 ZINC000096048914 426391971 /nfs/dbraw/zinc/39/19/71/426391971.db2.gz WLWUDACZMGRGOJ-UHFFFAOYSA-N 2 2 306.475 2.825 40 0 DFABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccoc4)C[C@@H]3C2)c1 ZINC000096053852 426392679 /nfs/dbraw/zinc/39/26/79/426392679.db2.gz CSFPQQCQDXLYDI-CALCHBBNSA-N 2 2 300.377 2.983 40 0 DFABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccoc4)C[C@@H]3C2)c1 ZINC000096053852 426392681 /nfs/dbraw/zinc/39/26/81/426392681.db2.gz CSFPQQCQDXLYDI-CALCHBBNSA-N 2 2 300.377 2.983 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccoc4)C[C@@H]3C2)c1 ZINC000096053852 426392682 /nfs/dbraw/zinc/39/26/82/426392682.db2.gz CSFPQQCQDXLYDI-CALCHBBNSA-N 2 2 300.377 2.983 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccoc4)C[C@@H]3C2)c1 ZINC000096053852 426392684 /nfs/dbraw/zinc/39/26/84/426392684.db2.gz CSFPQQCQDXLYDI-CALCHBBNSA-N 2 2 300.377 2.983 40 0 DFABLP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000195535722 426535842 /nfs/dbraw/zinc/53/58/42/426535842.db2.gz UZTDUOPAVXIZCE-SJORKVTESA-N 2 2 318.461 2.800 40 0 DFABLP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000195535722 426535846 /nfs/dbraw/zinc/53/58/46/426535846.db2.gz UZTDUOPAVXIZCE-SJORKVTESA-N 2 2 318.461 2.800 40 0 DFABLP Cc1[nH+]cc(-c2cnc(C[C@@H]3CCC[N@@H+](C(C)C)C3)cn2)n1C ZINC000257219262 427313940 /nfs/dbraw/zinc/31/39/40/427313940.db2.gz DGFAHXIHNXCEAG-HNNXBMFYSA-N 2 2 313.449 2.848 40 0 DFABLP Cc1[nH+]cc(-c2cnc(C[C@@H]3CCC[N@H+](C(C)C)C3)cn2)n1C ZINC000257219262 427313945 /nfs/dbraw/zinc/31/39/45/427313945.db2.gz DGFAHXIHNXCEAG-HNNXBMFYSA-N 2 2 313.449 2.848 40 0 DFABLP Fc1ccc([C@H]2OCC[C@@H]2[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000192137928 427490462 /nfs/dbraw/zinc/49/04/62/427490462.db2.gz LXIIGKBGNZOCRU-JKSUJKDBSA-N 2 2 307.344 2.671 40 0 DFABLP c1csc(C[N@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)c1 ZINC000306142936 534521875 /nfs/dbraw/zinc/52/18/75/534521875.db2.gz XOQQOLJEZGSUMQ-NUEKZKHPSA-N 2 2 315.442 2.702 40 0 DFABLP c1csc(C[N@@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)c1 ZINC000306142936 534521880 /nfs/dbraw/zinc/52/18/80/534521880.db2.gz XOQQOLJEZGSUMQ-NUEKZKHPSA-N 2 2 315.442 2.702 40 0 DFABLP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079434352 185171508 /nfs/dbraw/zinc/17/15/08/185171508.db2.gz UZTDUOPAVXIZCE-IAGOWNOFSA-N 2 2 318.461 2.800 40 0 DFABLP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000079434352 185171509 /nfs/dbraw/zinc/17/15/09/185171509.db2.gz UZTDUOPAVXIZCE-IAGOWNOFSA-N 2 2 318.461 2.800 40 0 DFABLP C[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000034338885 398548355 /nfs/dbraw/zinc/54/83/55/398548355.db2.gz NJTVUDGJKBDXLV-NRFANRHFSA-N 2 2 323.484 2.935 40 0 DFABLP C[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000034338885 398548361 /nfs/dbraw/zinc/54/83/61/398548361.db2.gz NJTVUDGJKBDXLV-NRFANRHFSA-N 2 2 323.484 2.935 40 0 DFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378622 191141300 /nfs/dbraw/zinc/14/13/00/191141300.db2.gz XDCSWLJBMLZRFX-KRWDZBQOSA-N 2 2 320.400 2.703 40 0 DFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378622 191141303 /nfs/dbraw/zinc/14/13/03/191141303.db2.gz XDCSWLJBMLZRFX-KRWDZBQOSA-N 2 2 320.400 2.703 40 0 DFABLP OCC[NH2+]CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000019365953 182118691 /nfs/dbraw/zinc/11/86/91/182118691.db2.gz MJVRFDRHASINIE-GOSISDBHSA-N 2 2 318.848 2.795 40 0 DFABLP Fc1cccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293896 182113835 /nfs/dbraw/zinc/11/38/35/182113835.db2.gz QRLPSYUQCRKAFM-QGZVFWFLSA-N 2 2 312.392 2.599 40 0 DFABLP Fc1cccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019293896 182113837 /nfs/dbraw/zinc/11/38/37/182113837.db2.gz QRLPSYUQCRKAFM-QGZVFWFLSA-N 2 2 312.392 2.599 40 0 DFABLP C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000107203446 425986073 /nfs/dbraw/zinc/98/60/73/425986073.db2.gz CMQGTUCOSSQKHL-IKGGRYGDSA-N 2 2 316.474 2.539 40 0 DFABLP C[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC000107203446 425986075 /nfs/dbraw/zinc/98/60/75/425986075.db2.gz CMQGTUCOSSQKHL-IKGGRYGDSA-N 2 2 316.474 2.539 40 0 DFABLP C[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21 ZINC000107203446 425986078 /nfs/dbraw/zinc/98/60/78/425986078.db2.gz CMQGTUCOSSQKHL-IKGGRYGDSA-N 2 2 316.474 2.539 40 0 DFABLP C[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC000107203446 425986080 /nfs/dbraw/zinc/98/60/80/425986080.db2.gz CMQGTUCOSSQKHL-IKGGRYGDSA-N 2 2 316.474 2.539 40 0 DFABLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000107731367 426002427 /nfs/dbraw/zinc/00/24/27/426002427.db2.gz HNFKQICETYNKQX-NVXWUHKLSA-N 2 2 301.390 2.781 40 0 DFABLP Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000107731367 426002429 /nfs/dbraw/zinc/00/24/29/426002429.db2.gz HNFKQICETYNKQX-NVXWUHKLSA-N 2 2 301.390 2.781 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096110653 426398476 /nfs/dbraw/zinc/39/84/76/426398476.db2.gz MMKPKLNHWJQQNK-IRXDYDNUSA-N 2 2 311.404 2.785 40 0 DFABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188277 426404638 /nfs/dbraw/zinc/40/46/38/426404638.db2.gz ZOYYCJOQAFEBGU-MRXNPFEDSA-N 2 2 318.490 2.918 40 0 DFABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccco4)C3)C2)cn1 ZINC000096046971 426390575 /nfs/dbraw/zinc/39/05/75/426390575.db2.gz QXNPJKWVFSUOSX-SFHVURJKSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccco4)C3)C2)cn1 ZINC000096046971 426390578 /nfs/dbraw/zinc/39/05/78/426390578.db2.gz QXNPJKWVFSUOSX-SFHVURJKSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccco4)C3)C2)cn1 ZINC000096046971 426390582 /nfs/dbraw/zinc/39/05/82/426390582.db2.gz QXNPJKWVFSUOSX-SFHVURJKSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)cn1 ZINC000096046971 426390584 /nfs/dbraw/zinc/39/05/84/426390584.db2.gz QXNPJKWVFSUOSX-SFHVURJKSA-N 2 2 314.433 2.501 40 0 DFABLP Fc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)cc1 ZINC000096048917 426392397 /nfs/dbraw/zinc/39/23/97/426392397.db2.gz DELMDVSYXMYRRK-UHFFFAOYSA-N 2 2 318.436 2.903 40 0 DFABLP Fc1ccc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)cc1 ZINC000096048917 426392402 /nfs/dbraw/zinc/39/24/02/426392402.db2.gz DELMDVSYXMYRRK-UHFFFAOYSA-N 2 2 318.436 2.903 40 0 DFABLP Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000096048554 426393152 /nfs/dbraw/zinc/39/31/52/426393152.db2.gz HNFKQICETYNKQX-RDJZCZTQSA-N 2 2 301.390 2.781 40 0 DFABLP Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000096048554 426393154 /nfs/dbraw/zinc/39/31/54/426393154.db2.gz HNFKQICETYNKQX-RDJZCZTQSA-N 2 2 301.390 2.781 40 0 DFABLP Fc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096053737 426393612 /nfs/dbraw/zinc/39/36/12/426393612.db2.gz AWGYHIQLTUZPPL-ROUUACIJSA-N 2 2 311.404 2.785 40 0 DFABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)[N@@H+]1C ZINC000096206571 426407809 /nfs/dbraw/zinc/40/78/09/426407809.db2.gz TYTSPGXHJKBBEX-QGZVFWFLSA-N 2 2 303.450 2.547 40 0 DFABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)[N@H+]1C ZINC000096206571 426407811 /nfs/dbraw/zinc/40/78/11/426407811.db2.gz TYTSPGXHJKBBEX-QGZVFWFLSA-N 2 2 303.450 2.547 40 0 DFABLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2cc[nH+]cc2)C1 ZINC000225732088 426610180 /nfs/dbraw/zinc/61/01/80/426610180.db2.gz MCQJSASLPMSNIZ-KBPBESRZSA-N 2 2 306.479 2.736 40 0 DFABLP Cc1ccc(CN2Cc3c[nH+]cn3[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000248056424 426979136 /nfs/dbraw/zinc/97/91/36/426979136.db2.gz CCEUEASDYWBSLA-QGZVFWFLSA-N 2 2 314.433 2.827 40 0 DFABLP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@H]32)s1 ZINC000248087693 426980375 /nfs/dbraw/zinc/98/03/75/426980375.db2.gz KNRAVIJKLGZMSQ-DJIMGWMZSA-N 2 2 317.458 2.933 40 0 DFABLP Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@H]32)s1 ZINC000248087693 426980380 /nfs/dbraw/zinc/98/03/80/426980380.db2.gz KNRAVIJKLGZMSQ-DJIMGWMZSA-N 2 2 317.458 2.933 40 0 DFABLP C[C@@H]1c2ccccc2CCN1c1cc[nH+]c(NCC[NH+](C)C)n1 ZINC000328990962 427021456 /nfs/dbraw/zinc/02/14/56/427021456.db2.gz IQULZVZMGHDVAN-CQSZACIVSA-N 2 2 311.433 2.574 40 0 DFABLP c1ccc(NCC[C@@H]2CCOC23C[NH+](C2CCCC2)C3)[nH+]c1 ZINC000253596035 427217664 /nfs/dbraw/zinc/21/76/64/427217664.db2.gz MJYNHEBYDSHDSW-OAHLLOKOSA-N 2 2 301.434 2.917 40 0 DFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378623 191140555 /nfs/dbraw/zinc/14/05/55/191140555.db2.gz XDCSWLJBMLZRFX-QGZVFWFLSA-N 2 2 320.400 2.703 40 0 DFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378623 191140557 /nfs/dbraw/zinc/14/05/57/191140557.db2.gz XDCSWLJBMLZRFX-QGZVFWFLSA-N 2 2 320.400 2.703 40 0 DFABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000257282384 203010184 /nfs/dbraw/zinc/01/01/84/203010184.db2.gz OTODCTZKVJOUNH-HNNXBMFYSA-N 2 2 302.447 2.937 40 0 DFABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000257282384 203010188 /nfs/dbraw/zinc/01/01/88/203010188.db2.gz OTODCTZKVJOUNH-HNNXBMFYSA-N 2 2 302.447 2.937 40 0 DFABLP CN(C)c1cc([C@H]2CCC[N@H+](Cc3nccs3)C2)cc[nH+]1 ZINC000257293962 203018732 /nfs/dbraw/zinc/01/87/32/203018732.db2.gz QRWMOUPNLNXQJQ-AWEZNQCLSA-N 2 2 302.447 2.984 40 0 DFABLP CN(C)c1cc([C@H]2CCC[N@@H+](Cc3nccs3)C2)cc[nH+]1 ZINC000257293962 203018736 /nfs/dbraw/zinc/01/87/36/203018736.db2.gz QRWMOUPNLNXQJQ-AWEZNQCLSA-N 2 2 302.447 2.984 40 0 DFABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)cc[nH+]1 ZINC000257336315 203058547 /nfs/dbraw/zinc/05/85/47/203058547.db2.gz YNWYXVISBVDBIH-QGZVFWFLSA-N 2 2 315.392 2.637 40 0 DFABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)cc[nH+]1 ZINC000257336315 203058551 /nfs/dbraw/zinc/05/85/51/203058551.db2.gz YNWYXVISBVDBIH-QGZVFWFLSA-N 2 2 315.392 2.637 40 0 DFABLP CC[NH+](CC)CC(C[NH+](CC)CC)OC(=O)c1ccccc1 ZINC000001668540 425584255 /nfs/dbraw/zinc/58/42/55/425584255.db2.gz YPNRBFRYHMBMFY-UHFFFAOYSA-N 2 2 306.450 2.896 40 0 DFABLP c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000107731334 426001977 /nfs/dbraw/zinc/00/19/77/426001977.db2.gz BGAUJLZCNIIICF-ZBFHGGJFSA-N 2 2 303.431 2.941 40 0 DFABLP c1csc(C[N@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000107731334 426001979 /nfs/dbraw/zinc/00/19/79/426001979.db2.gz BGAUJLZCNIIICF-ZBFHGGJFSA-N 2 2 303.431 2.941 40 0 DFABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000107731355 426002755 /nfs/dbraw/zinc/00/27/55/426002755.db2.gz HSTSFANUTXQSLQ-HZPDHXFCSA-N 2 2 303.431 2.941 40 0 DFABLP c1cn([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000107731355 426002756 /nfs/dbraw/zinc/00/27/56/426002756.db2.gz HSTSFANUTXQSLQ-HZPDHXFCSA-N 2 2 303.431 2.941 40 0 DFABLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1nc(C(C)(C)C)no1 ZINC000084667598 426242985 /nfs/dbraw/zinc/24/29/85/426242985.db2.gz ZMFGRLDQTTYQSA-NEPJUHHUSA-N 2 2 303.410 2.792 40 0 DFABLP Cc1cc(C[N@H+]2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)no1 ZINC000257260016 427328432 /nfs/dbraw/zinc/32/84/32/427328432.db2.gz LAZWSSLSEUEROD-HNNXBMFYSA-N 2 2 300.406 2.824 40 0 DFABLP Cc1cc(C[N@@H+]2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)no1 ZINC000257260016 427328439 /nfs/dbraw/zinc/32/84/39/427328439.db2.gz LAZWSSLSEUEROD-HNNXBMFYSA-N 2 2 300.406 2.824 40 0 DFABLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000192982454 323250160 /nfs/dbraw/zinc/25/01/60/323250160.db2.gz PDHGZBXARHTQHF-CYBMUJFWSA-N 2 2 302.871 2.848 40 0 DFABLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cc(Cl)cs2)C1 ZINC000192982454 323250164 /nfs/dbraw/zinc/25/01/64/323250164.db2.gz PDHGZBXARHTQHF-CYBMUJFWSA-N 2 2 302.871 2.848 40 0 DFABLP c1cn(-c2cccc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)c[nH+]1 ZINC000072355441 191129086 /nfs/dbraw/zinc/12/90/86/191129086.db2.gz WXHYLTRBLVFJAF-KRWDZBQOSA-N 2 2 305.385 2.999 40 0 DFABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)c[nH+]1 ZINC000072355441 191129088 /nfs/dbraw/zinc/12/90/88/191129088.db2.gz WXHYLTRBLVFJAF-KRWDZBQOSA-N 2 2 305.385 2.999 40 0 DFABLP c1cn(-c2cccc([C@H]3CCC[N@H+]3Cc3ccncc3)n2)c[nH+]1 ZINC000072355442 191128446 /nfs/dbraw/zinc/12/84/46/191128446.db2.gz WXHYLTRBLVFJAF-QGZVFWFLSA-N 2 2 305.385 2.999 40 0 DFABLP c1cn(-c2cccc([C@H]3CCC[N@@H+]3Cc3ccncc3)n2)c[nH+]1 ZINC000072355442 191128449 /nfs/dbraw/zinc/12/84/49/191128449.db2.gz WXHYLTRBLVFJAF-QGZVFWFLSA-N 2 2 305.385 2.999 40 0 DFABLP c1cn(-c2cccc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)c[nH+]1 ZINC000072378629 191141804 /nfs/dbraw/zinc/14/18/04/191141804.db2.gz XKVHOOGISMIUHO-KRWDZBQOSA-N 2 2 305.385 2.999 40 0 DFABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)c[nH+]1 ZINC000072378629 191141805 /nfs/dbraw/zinc/14/18/05/191141805.db2.gz XKVHOOGISMIUHO-KRWDZBQOSA-N 2 2 305.385 2.999 40 0 DFABLP Cc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1Cl ZINC000193959113 201153097 /nfs/dbraw/zinc/15/30/97/201153097.db2.gz GQGIRMRJDGOMJT-UHFFFAOYSA-N 2 2 310.869 2.927 40 0 DFABLP Cc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1Cl ZINC000193959113 201153098 /nfs/dbraw/zinc/15/30/98/201153098.db2.gz GQGIRMRJDGOMJT-UHFFFAOYSA-N 2 2 310.869 2.927 40 0 DFABLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000195529993 201399063 /nfs/dbraw/zinc/39/90/63/201399063.db2.gz CQYGSRUFGFHXGH-DNVCBOLYSA-N 2 2 323.440 2.711 40 0 DFABLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000195529993 201399066 /nfs/dbraw/zinc/39/90/66/201399066.db2.gz CQYGSRUFGFHXGH-DNVCBOLYSA-N 2 2 323.440 2.711 40 0 DFABLP Cc1cccc(C[N@H+]2CCC[C@H]2c2cncc(C[NH+](C)C)n2)n1 ZINC000257334694 203056776 /nfs/dbraw/zinc/05/67/76/203056776.db2.gz YHAAORURRCUBFP-SFHVURJKSA-N 2 2 311.433 2.579 40 0 DFABLP Cc1cccc(C[N@@H+]2CCC[C@H]2c2cncc(C[NH+](C)C)n2)n1 ZINC000257334694 203056779 /nfs/dbraw/zinc/05/67/79/203056779.db2.gz YHAAORURRCUBFP-SFHVURJKSA-N 2 2 311.433 2.579 40 0 DFABLP CNc1cc([C@@H]2CCC[N@H+](Cc3c(C)nn(C)c3C)C2)cc[nH+]1 ZINC000257339750 203062793 /nfs/dbraw/zinc/06/27/93/203062793.db2.gz ZDANEQYRPZHAHO-MRXNPFEDSA-N 2 2 313.449 2.853 40 0 DFABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3C)C2)cc[nH+]1 ZINC000257339750 203062797 /nfs/dbraw/zinc/06/27/97/203062797.db2.gz ZDANEQYRPZHAHO-MRXNPFEDSA-N 2 2 313.449 2.853 40 0 DFABLP O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000085333867 542515831 /nfs/dbraw/zinc/51/58/31/542515831.db2.gz DTVIGIGNFDKWOK-RTBURBONSA-N 2 2 305.381 2.620 40 0 DFABLP c1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cc1 ZINC000107226100 425986182 /nfs/dbraw/zinc/98/61/82/425986182.db2.gz ZFGZXWFEFLNVAI-MJGOQNOKSA-N 2 2 309.413 2.927 40 0 DFABLP c1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4cccc[nH+]4)CO3)C2)cc1 ZINC000107226100 425986184 /nfs/dbraw/zinc/98/61/84/425986184.db2.gz ZFGZXWFEFLNVAI-MJGOQNOKSA-N 2 2 309.413 2.927 40 0 DFABLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1nc(C(C)(C)C)no1 ZINC000084667601 426242884 /nfs/dbraw/zinc/24/28/84/426242884.db2.gz ZMFGRLDQTTYQSA-VXGBXAGGSA-N 2 2 303.410 2.792 40 0 DFABLP c1nc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)c[nH]1 ZINC000096081932 426396779 /nfs/dbraw/zinc/39/67/79/426396779.db2.gz RXVNPBCVVLBBJC-ZMSDIMECSA-N 2 2 311.433 2.765 40 0 DFABLP c1nc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)c[nH]1 ZINC000096081932 426396782 /nfs/dbraw/zinc/39/67/82/426396782.db2.gz RXVNPBCVVLBBJC-ZMSDIMECSA-N 2 2 311.433 2.765 40 0 DFABLP c1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)[nH]1 ZINC000096081932 426396784 /nfs/dbraw/zinc/39/67/84/426396784.db2.gz RXVNPBCVVLBBJC-ZMSDIMECSA-N 2 2 311.433 2.765 40 0 DFABLP c1ncc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)[nH]1 ZINC000096081932 426396786 /nfs/dbraw/zinc/39/67/86/426396786.db2.gz RXVNPBCVVLBBJC-ZMSDIMECSA-N 2 2 311.433 2.765 40 0 DFABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158042 426402299 /nfs/dbraw/zinc/40/22/99/426402299.db2.gz GRPIMYQFUTXKRC-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158042 426402302 /nfs/dbraw/zinc/40/23/02/426402302.db2.gz GRPIMYQFUTXKRC-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)nc1 ZINC000096158042 426402303 /nfs/dbraw/zinc/40/23/03/426402303.db2.gz GRPIMYQFUTXKRC-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)nc1 ZINC000096158042 426402305 /nfs/dbraw/zinc/40/23/05/426402305.db2.gz GRPIMYQFUTXKRC-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1coc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)c1 ZINC000096049468 426392576 /nfs/dbraw/zinc/39/25/76/426392576.db2.gz NEKVAWGOXXDFCX-SFHVURJKSA-N 2 2 304.434 2.604 40 0 DFABLP c1coc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096049468 426392579 /nfs/dbraw/zinc/39/25/79/426392579.db2.gz NEKVAWGOXXDFCX-SFHVURJKSA-N 2 2 304.434 2.604 40 0 DFABLP c1coc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096049468 426392581 /nfs/dbraw/zinc/39/25/81/426392581.db2.gz NEKVAWGOXXDFCX-SFHVURJKSA-N 2 2 304.434 2.604 40 0 DFABLP c1coc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096049468 426392583 /nfs/dbraw/zinc/39/25/83/426392583.db2.gz NEKVAWGOXXDFCX-SFHVURJKSA-N 2 2 304.434 2.604 40 0 DFABLP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccccc1Cl)C2 ZINC000096220181 426409210 /nfs/dbraw/zinc/40/92/10/426409210.db2.gz OOQICNUWUJLMAO-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccccc1Cl)C2 ZINC000096220181 426409215 /nfs/dbraw/zinc/40/92/15/426409215.db2.gz OOQICNUWUJLMAO-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccccc1Cl)C2 ZINC000096220181 426409218 /nfs/dbraw/zinc/40/92/18/426409218.db2.gz OOQICNUWUJLMAO-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000096220181 426409221 /nfs/dbraw/zinc/40/92/21/426409221.db2.gz OOQICNUWUJLMAO-DOTOQJQBSA-N 2 2 308.853 2.740 40 0 DFABLP COc1cccc(F)c1C[N@@H+]1CC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257246929 427321405 /nfs/dbraw/zinc/32/14/05/427321405.db2.gz IWPSIYVDTAHPIR-ZDUSSCGKSA-N 2 2 303.381 2.866 40 0 DFABLP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@H+](Cc1ccccc1)C2 ZINC000585112337 398433415 /nfs/dbraw/zinc/43/34/15/398433415.db2.gz NGNYZWNYMLSBCY-LJQANCHMSA-N 2 2 310.445 2.926 40 0 DFABLP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@@H+](Cc1ccccc1)C2 ZINC000585112337 398433417 /nfs/dbraw/zinc/43/34/17/398433417.db2.gz NGNYZWNYMLSBCY-LJQANCHMSA-N 2 2 310.445 2.926 40 0 DFABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3ccsc3)CCO2)cc[nH+]1 ZINC000257313232 203035750 /nfs/dbraw/zinc/03/57/50/203035750.db2.gz URMUNDSPRABDNF-OAHLLOKOSA-N 2 2 303.431 2.559 40 0 DFABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3ccsc3)CCO2)cc[nH+]1 ZINC000257313232 203035754 /nfs/dbraw/zinc/03/57/54/203035754.db2.gz URMUNDSPRABDNF-OAHLLOKOSA-N 2 2 303.431 2.559 40 0 DFABLP CC(C)c1[nH+]ccn1-c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000019454513 182123587 /nfs/dbraw/zinc/12/35/87/182123587.db2.gz NTJOULBAIJUZSL-UHFFFAOYSA-N 2 2 309.373 2.831 40 0 DFABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1ccncc1)[C@H]2C ZINC000096061985 426394611 /nfs/dbraw/zinc/39/46/11/426394611.db2.gz WIUZTTBBXGFGJE-HNNXBMFYSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1ccncc1)[C@H]2C ZINC000096061985 426394613 /nfs/dbraw/zinc/39/46/13/426394613.db2.gz WIUZTTBBXGFGJE-HNNXBMFYSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1ccncc1)[C@H]2C ZINC000096061985 426394616 /nfs/dbraw/zinc/39/46/16/426394616.db2.gz WIUZTTBBXGFGJE-HNNXBMFYSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1ccncc1)[C@H]2C ZINC000096061985 426394619 /nfs/dbraw/zinc/39/46/19/426394619.db2.gz WIUZTTBBXGFGJE-HNNXBMFYSA-N 2 2 313.449 2.695 40 0 DFABLP Cn1cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccn1)C2 ZINC000096158025 426401470 /nfs/dbraw/zinc/40/14/70/426401470.db2.gz GOFZSHZMDQTMFT-FQEVSTJZSA-N 2 2 324.472 2.908 40 0 DFABLP Cn1cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccn1)C2 ZINC000096158025 426401475 /nfs/dbraw/zinc/40/14/75/426401475.db2.gz GOFZSHZMDQTMFT-FQEVSTJZSA-N 2 2 324.472 2.908 40 0 DFABLP Cn1cccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158025 426401477 /nfs/dbraw/zinc/40/14/77/426401477.db2.gz GOFZSHZMDQTMFT-FQEVSTJZSA-N 2 2 324.472 2.908 40 0 DFABLP Cn1cccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158025 426401482 /nfs/dbraw/zinc/40/14/82/426401482.db2.gz GOFZSHZMDQTMFT-FQEVSTJZSA-N 2 2 324.472 2.908 40 0 DFABLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCOCC4)C3)C2)nc1 ZINC000096158068 426402511 /nfs/dbraw/zinc/40/25/11/426402511.db2.gz QQBHDXGLDLKFTA-IBGZPJMESA-N 2 2 315.461 2.549 40 0 DFABLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCOCC4)C3)C2)nc1 ZINC000096158068 426402513 /nfs/dbraw/zinc/40/25/13/426402513.db2.gz QQBHDXGLDLKFTA-IBGZPJMESA-N 2 2 315.461 2.549 40 0 DFABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)nc1 ZINC000096158068 426402515 /nfs/dbraw/zinc/40/25/15/426402515.db2.gz QQBHDXGLDLKFTA-IBGZPJMESA-N 2 2 315.461 2.549 40 0 DFABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)nc1 ZINC000096158068 426402518 /nfs/dbraw/zinc/40/25/18/426402518.db2.gz QQBHDXGLDLKFTA-IBGZPJMESA-N 2 2 315.461 2.549 40 0 DFABLP Cn1cccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC000096161549 426403645 /nfs/dbraw/zinc/40/36/45/426403645.db2.gz UJNFWRDGGAEOBS-GASCZTMLSA-N 2 2 301.459 2.650 40 0 DFABLP Cn1cccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC000096161549 426403646 /nfs/dbraw/zinc/40/36/46/426403646.db2.gz UJNFWRDGGAEOBS-GASCZTMLSA-N 2 2 301.459 2.650 40 0 DFABLP Cn1cccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096161549 426403649 /nfs/dbraw/zinc/40/36/49/426403649.db2.gz UJNFWRDGGAEOBS-GASCZTMLSA-N 2 2 301.459 2.650 40 0 DFABLP Cn1cccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096161549 426403650 /nfs/dbraw/zinc/40/36/50/426403650.db2.gz UJNFWRDGGAEOBS-GASCZTMLSA-N 2 2 301.459 2.650 40 0 DFABLP C[NH+](C)CC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2c[nH+]cn21 ZINC000248123001 426981413 /nfs/dbraw/zinc/98/14/13/426981413.db2.gz NRNPGJXXGHVZHO-CQSZACIVSA-N 2 2 320.387 2.670 40 0 DFABLP COc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000083450495 192370476 /nfs/dbraw/zinc/37/04/76/192370476.db2.gz JBIJADGSYQSMOG-JKSUJKDBSA-N 2 2 304.434 2.729 40 0 DFABLP COc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000083450495 192370477 /nfs/dbraw/zinc/37/04/77/192370477.db2.gz JBIJADGSYQSMOG-JKSUJKDBSA-N 2 2 304.434 2.729 40 0 DFABLP Cc1ccc(C[N@@H+]2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)s1 ZINC000257294042 203018471 /nfs/dbraw/zinc/01/84/71/203018471.db2.gz QSEPZJYBROUEHG-INIZCTEOSA-N 2 2 303.431 2.916 40 0 DFABLP Cc1ccc(C[N@H+]2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)s1 ZINC000257294042 203018474 /nfs/dbraw/zinc/01/84/74/203018474.db2.gz QSEPZJYBROUEHG-INIZCTEOSA-N 2 2 303.431 2.916 40 0 DFABLP Cc1ccc(C2(C[NH+]3CCN(Cc4c[nH+]cn4C)CC3)CC2)cc1 ZINC000019208441 182107277 /nfs/dbraw/zinc/10/72/77/182107277.db2.gz NQXFQMRQTDKLDG-UHFFFAOYSA-N 2 2 324.472 2.578 40 0 DFABLP c1csc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000107731337 426002443 /nfs/dbraw/zinc/00/24/43/426002443.db2.gz BGAUJLZCNIIICF-GDBMZVCRSA-N 2 2 303.431 2.941 40 0 DFABLP c1csc(C[N@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)c1 ZINC000107731337 426002444 /nfs/dbraw/zinc/00/24/44/426002444.db2.gz BGAUJLZCNIIICF-GDBMZVCRSA-N 2 2 303.431 2.941 40 0 DFABLP CCCCc1noc([C@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000084746895 426244567 /nfs/dbraw/zinc/24/45/67/426244567.db2.gz LIGPRSGTVCEZKP-STQMWFEESA-N 2 2 303.410 2.837 40 0 DFABLP C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000085423398 426251670 /nfs/dbraw/zinc/25/16/70/426251670.db2.gz JTCTWZIAEFDKME-UONOGXRCSA-N 2 2 321.469 2.623 40 0 DFABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096110631 426398731 /nfs/dbraw/zinc/39/87/31/426398731.db2.gz GNDWXZFSVSAJRR-KDURUIRLSA-N 2 2 323.440 2.654 40 0 DFABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096110631 426398735 /nfs/dbraw/zinc/39/87/35/426398735.db2.gz GNDWXZFSVSAJRR-KDURUIRLSA-N 2 2 323.440 2.654 40 0 DFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096110631 426398738 /nfs/dbraw/zinc/39/87/38/426398738.db2.gz GNDWXZFSVSAJRR-KDURUIRLSA-N 2 2 323.440 2.654 40 0 DFABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096110631 426398739 /nfs/dbraw/zinc/39/87/39/426398739.db2.gz GNDWXZFSVSAJRR-KDURUIRLSA-N 2 2 323.440 2.654 40 0 DFABLP COc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000195536472 426537524 /nfs/dbraw/zinc/53/75/24/426537524.db2.gz JBIJADGSYQSMOG-CVEARBPZSA-N 2 2 304.434 2.729 40 0 DFABLP COc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000195536472 426537526 /nfs/dbraw/zinc/53/75/26/426537526.db2.gz JBIJADGSYQSMOG-CVEARBPZSA-N 2 2 304.434 2.729 40 0 DFABLP c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccsc2)c[nH+]1 ZINC000247925263 426964155 /nfs/dbraw/zinc/96/41/55/426964155.db2.gz ATHXBAGJSTZQTI-HRCADAONSA-N 2 2 303.431 2.624 40 0 DFABLP c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccsc2)c[nH+]1 ZINC000247925263 426964158 /nfs/dbraw/zinc/96/41/58/426964158.db2.gz ATHXBAGJSTZQTI-HRCADAONSA-N 2 2 303.431 2.624 40 0 DFABLP C[NH+](C)C[C@H]1CN(Cc2cccc(Cl)c2)Cc2c[nH+]cn21 ZINC000248133940 426984536 /nfs/dbraw/zinc/98/45/36/426984536.db2.gz RAUQNVMHZHGDST-INIZCTEOSA-N 2 2 304.825 2.655 40 0 DFABLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000253601469 427218092 /nfs/dbraw/zinc/21/80/92/427218092.db2.gz BAPCCJNRVAAEOP-HOTGVXAUSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000253601469 427218097 /nfs/dbraw/zinc/21/80/97/427218097.db2.gz BAPCCJNRVAAEOP-HOTGVXAUSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000253601469 427218100 /nfs/dbraw/zinc/21/81/00/427218100.db2.gz BAPCCJNRVAAEOP-HOTGVXAUSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000253601469 427218105 /nfs/dbraw/zinc/21/81/05/427218105.db2.gz BAPCCJNRVAAEOP-HOTGVXAUSA-N 2 2 314.458 2.635 40 0 DFABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccc(C)o2)C1 ZINC000096059195 276106743 /nfs/dbraw/zinc/10/67/43/276106743.db2.gz KXZUNYHAEXISHU-INIZCTEOSA-N 2 2 316.449 2.758 40 0 DFABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cncn2C)n1 ZINC000072355630 191130107 /nfs/dbraw/zinc/13/01/07/191130107.db2.gz DJNQDAOCSNEFIB-KRWDZBQOSA-N 2 2 322.416 2.646 40 0 DFABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cncn2C)n1 ZINC000072355630 191130110 /nfs/dbraw/zinc/13/01/10/191130110.db2.gz DJNQDAOCSNEFIB-KRWDZBQOSA-N 2 2 322.416 2.646 40 0 DFABLP Cc1c[nH]c([C@H]2CCN(C(=O)CCC[NH+]3CCCCCC3)C2)[nH+]1 ZINC000257312231 203036390 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Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2)cn1 ZINC000096046976 426390337 /nfs/dbraw/zinc/39/03/37/426390337.db2.gz LBPJRXTWMYNCLZ-GOSISDBHSA-N 2 2 314.433 2.501 40 0 DFABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2)cn1 ZINC000096046976 426390338 /nfs/dbraw/zinc/39/03/38/426390338.db2.gz LBPJRXTWMYNCLZ-GOSISDBHSA-N 2 2 314.433 2.501 40 0 DFABLP c1[nH+]cn2c1C[N@H+](CC1CCC1)C[C@@H](COCC1CCC1)C2 ZINC000096209750 426407495 /nfs/dbraw/zinc/40/74/95/426407495.db2.gz JFDVVYYQMXNZJY-QGZVFWFLSA-N 2 2 303.450 2.932 40 0 DFABLP c1[nH+]cn2c1C[N@@H+](CC1CCC1)C[C@@H](COCC1CCC1)C2 ZINC000096209750 426407498 /nfs/dbraw/zinc/40/74/98/426407498.db2.gz JFDVVYYQMXNZJY-QGZVFWFLSA-N 2 2 303.450 2.932 40 0 DFABLP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@@H]32)s1 ZINC000096250229 426410467 /nfs/dbraw/zinc/41/04/67/426410467.db2.gz KNRAVIJKLGZMSQ-HYVNUMGLSA-N 2 2 317.458 2.933 40 0 DFABLP Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cc[nH+]c4)CC[C@@H]32)s1 ZINC000096250229 426410471 /nfs/dbraw/zinc/41/04/71/426410471.db2.gz KNRAVIJKLGZMSQ-HYVNUMGLSA-N 2 2 317.458 2.933 40 0 DFABLP C[NH+](C)C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000248157214 426983323 /nfs/dbraw/zinc/98/33/23/426983323.db2.gz ZOLWNEVXBGWQEQ-CQSZACIVSA-N 2 2 322.815 2.794 40 0 DFABLP CC[NH+](CC)C[C@H]1CN(Cc2ccccc2F)Cc2c[nH+]cn21 ZINC000248254327 426987627 /nfs/dbraw/zinc/98/76/27/426987627.db2.gz NRADCNXIYHGKFP-KRWDZBQOSA-N 2 2 316.424 2.921 40 0 DFABLP COc1cc(C[N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cc(OC)c1 ZINC000257239755 427319879 /nfs/dbraw/zinc/31/98/79/427319879.db2.gz HQRBNLXSEDISEN-AWEZNQCLSA-N 2 2 301.390 2.725 40 0 DFABLP COc1cc(C[N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cc(OC)c1 ZINC000257239755 427319887 /nfs/dbraw/zinc/31/98/87/427319887.db2.gz HQRBNLXSEDISEN-AWEZNQCLSA-N 2 2 301.390 2.725 40 0 DFABLP Cc1cc(C[N@H+]2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)no1 ZINC000257260017 427327850 /nfs/dbraw/zinc/32/78/50/427327850.db2.gz LAZWSSLSEUEROD-OAHLLOKOSA-N 2 2 300.406 2.824 40 0 DFABLP Cc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)no1 ZINC000257260017 427327856 /nfs/dbraw/zinc/32/78/56/427327856.db2.gz LAZWSSLSEUEROD-OAHLLOKOSA-N 2 2 300.406 2.824 40 0 DFABLP CCc1[nH]c(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H](O)C2)c(C)[nH+]1 ZINC000585279776 398439510 /nfs/dbraw/zinc/43/95/10/398439510.db2.gz ORWCTEIUZNFNOX-AEFFLSMTSA-N 2 2 313.445 2.706 40 0 DFABLP CCc1[nH]c(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H](O)C2)c(C)[nH+]1 ZINC000585279776 398439513 /nfs/dbraw/zinc/43/95/13/398439513.db2.gz ORWCTEIUZNFNOX-AEFFLSMTSA-N 2 2 313.445 2.706 40 0 DFABLP C[N@H+](Cc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000083865631 192387396 /nfs/dbraw/zinc/38/73/96/192387396.db2.gz YDBCBZIGWLOUFX-UHFFFAOYSA-N 2 2 310.445 2.616 40 0 DFABLP C[N@@H+](Cc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000083865631 192387398 /nfs/dbraw/zinc/38/73/98/192387398.db2.gz YDBCBZIGWLOUFX-UHFFFAOYSA-N 2 2 310.445 2.616 40 0 DFABLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)cc(OC)c1 ZINC000257336040 203059082 /nfs/dbraw/zinc/05/90/82/203059082.db2.gz YMXBMEWRKRLFNF-OAHLLOKOSA-N 2 2 315.417 2.735 40 0 DFABLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)cc(OC)c1 ZINC000257336040 203059085 /nfs/dbraw/zinc/05/90/85/203059085.db2.gz YMXBMEWRKRLFNF-OAHLLOKOSA-N 2 2 315.417 2.735 40 0 DFABLP Cn1nccc1C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019658620 182134895 /nfs/dbraw/zinc/13/48/95/182134895.db2.gz MQSWVHJYVFVROP-AWEZNQCLSA-N 2 2 309.417 2.751 40 0 DFABLP Cn1nccc1C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019658620 182134897 /nfs/dbraw/zinc/13/48/97/182134897.db2.gz MQSWVHJYVFVROP-AWEZNQCLSA-N 2 2 309.417 2.751 40 0 DFABLP COc1cc2c(cc1OC)C[N@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC000020180460 182194689 /nfs/dbraw/zinc/19/46/89/182194689.db2.gz MGIRUSIMQIDEBV-MRXNPFEDSA-N 2 2 304.434 2.594 40 0 DFABLP COc1cc2c(cc1OC)C[N@@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC000020180460 182194690 /nfs/dbraw/zinc/19/46/90/182194690.db2.gz MGIRUSIMQIDEBV-MRXNPFEDSA-N 2 2 304.434 2.594 40 0 DFABLP Cc1[nH+]cc(C[NH2+][C@H](C)CC(=O)NC(C)C)n1-c1ccccc1 ZINC000084048435 542505956 /nfs/dbraw/zinc/50/59/56/542505956.db2.gz KSOKFKDHGQIVKR-CQSZACIVSA-N 2 2 314.433 2.574 40 0 DFABLP C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@H]2CCCC[N@@H+]2C3)[NH2+]C1 ZINC000004081890 425616986 /nfs/dbraw/zinc/61/69/86/425616986.db2.gz YUKCLPPRYNXRAF-CPPNMTBBSA-N 3 2 317.521 2.761 40 0 DFABLP C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@H]2CCCC[N@H+]2C3)[NH2+]C1 ZINC000004081890 425616987 /nfs/dbraw/zinc/61/69/87/425616987.db2.gz YUKCLPPRYNXRAF-CPPNMTBBSA-N 3 2 317.521 2.761 40 0 DFABLP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188685 425721497 /nfs/dbraw/zinc/72/14/97/425721497.db2.gz ZJCBWPZEZZIFBU-VQTJNVASSA-N 3 2 315.505 2.782 40 0 DFABLP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188685 425721500 /nfs/dbraw/zinc/72/15/00/425721500.db2.gz ZJCBWPZEZZIFBU-VQTJNVASSA-N 3 2 315.505 2.782 40 0 DFABLP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188685 425721505 /nfs/dbraw/zinc/72/15/05/425721505.db2.gz ZJCBWPZEZZIFBU-VQTJNVASSA-N 3 2 315.505 2.782 40 0 DFABLP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188685 425721510 /nfs/dbraw/zinc/72/15/10/425721510.db2.gz ZJCBWPZEZZIFBU-VQTJNVASSA-N 3 2 315.505 2.782 40 0 DFABLP Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000107731370 426002573 /nfs/dbraw/zinc/00/25/73/426002573.db2.gz HNFKQICETYNKQX-WBVHZDCISA-N 2 2 301.390 2.781 40 0 DFABLP Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000107731370 426002577 /nfs/dbraw/zinc/00/25/77/426002577.db2.gz HNFKQICETYNKQX-WBVHZDCISA-N 2 2 301.390 2.781 40 0 DFABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1cccnc1)[C@@H]2C ZINC000096061982 426395108 /nfs/dbraw/zinc/39/51/08/426395108.db2.gz FBMDDDLQRQRNIU-OAHLLOKOSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1cccnc1)[C@@H]2C ZINC000096061982 426395110 /nfs/dbraw/zinc/39/51/10/426395110.db2.gz FBMDDDLQRQRNIU-OAHLLOKOSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cccnc1)[C@@H]2C ZINC000096061982 426395112 /nfs/dbraw/zinc/39/51/12/426395112.db2.gz FBMDDDLQRQRNIU-OAHLLOKOSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cccnc1)[C@@H]2C ZINC000096061982 426395114 /nfs/dbraw/zinc/39/51/14/426395114.db2.gz FBMDDDLQRQRNIU-OAHLLOKOSA-N 2 2 313.449 2.695 40 0 DFABLP Cn1cc[nH+]c1CN1CCC2(CCC[N@@H+]2CC2CCC2)CC1 ZINC000096159391 426403201 /nfs/dbraw/zinc/40/32/01/426403201.db2.gz YMWMTDYHKJMUDY-UHFFFAOYSA-N 2 2 302.466 2.651 40 0 DFABLP Cn1cc[nH+]c1CN1CCC2(CCC[N@H+]2CC2CCC2)CC1 ZINC000096159391 426403205 /nfs/dbraw/zinc/40/32/05/426403205.db2.gz YMWMTDYHKJMUDY-UHFFFAOYSA-N 2 2 302.466 2.651 40 0 DFABLP CCCCc1[nH]c(C[NH+]2CCC3(CC2)OCCC[C@H]3OC)c[nH+]1 ZINC000095386726 426370573 /nfs/dbraw/zinc/37/05/73/426370573.db2.gz GDYWVOVQZPFHRF-MRXNPFEDSA-N 2 2 321.465 2.912 40 0 DFABLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000096048555 426392286 /nfs/dbraw/zinc/39/22/86/426392286.db2.gz HNFKQICETYNKQX-DOTOQJQBSA-N 2 2 301.390 2.781 40 0 DFABLP Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)o1 ZINC000096048555 426392288 /nfs/dbraw/zinc/39/22/88/426392288.db2.gz HNFKQICETYNKQX-DOTOQJQBSA-N 2 2 301.390 2.781 40 0 DFABLP Fc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096053735 426393268 /nfs/dbraw/zinc/39/32/68/426393268.db2.gz AWGYHIQLTUZPPL-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096053735 426393271 /nfs/dbraw/zinc/39/32/71/426393271.db2.gz AWGYHIQLTUZPPL-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096053735 426393273 /nfs/dbraw/zinc/39/32/73/426393273.db2.gz AWGYHIQLTUZPPL-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC000096053735 426393277 /nfs/dbraw/zinc/39/32/77/426393277.db2.gz AWGYHIQLTUZPPL-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP c1ccc(NCC[C@H]2CCOC23C[NH+](C2CCCC2)C3)[nH+]c1 ZINC000253596034 427217932 /nfs/dbraw/zinc/21/79/32/427217932.db2.gz MJYNHEBYDSHDSW-HNNXBMFYSA-N 2 2 301.434 2.917 40 0 DFABLP Cc1ccsc1C[N@@H+]1CCO[C@@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257200924 427311497 /nfs/dbraw/zinc/31/14/97/427311497.db2.gz AFJCFTGELZREOQ-OAHLLOKOSA-N 2 2 303.431 2.916 40 0 DFABLP Cc1ccsc1C[N@H+]1CCO[C@@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257200924 427311503 /nfs/dbraw/zinc/31/15/03/427311503.db2.gz AFJCFTGELZREOQ-OAHLLOKOSA-N 2 2 303.431 2.916 40 0 DFABLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)c(F)c1 ZINC000257234388 427316692 /nfs/dbraw/zinc/31/66/92/427316692.db2.gz GTHRCFLBYGRPGT-CQSZACIVSA-N 2 2 303.381 2.866 40 0 DFABLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)c(F)c1 ZINC000257234388 427316700 /nfs/dbraw/zinc/31/67/00/427316700.db2.gz GTHRCFLBYGRPGT-CQSZACIVSA-N 2 2 303.381 2.866 40 0 DFABLP CCc1ccc([C@H]2CN(c3cc(C)[nH+]cn3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257321943 273771172 /nfs/dbraw/zinc/77/11/72/273771172.db2.gz WDYZWHLNKRHRID-GUDVDZBRSA-N 2 2 322.456 2.929 40 0 DFABLP C[N@@H+]1CC[C@@H](Cc2cccc(NCCC3(O)CCCC3)[nH+]2)C1 ZINC000072366205 191135071 /nfs/dbraw/zinc/13/50/71/191135071.db2.gz PEHFUPRJUDORII-HNNXBMFYSA-N 2 2 303.450 2.683 40 0 DFABLP C[N@H+]1CC[C@@H](Cc2cccc(NCCC3(O)CCCC3)[nH+]2)C1 ZINC000072366205 191135074 /nfs/dbraw/zinc/13/50/74/191135074.db2.gz PEHFUPRJUDORII-HNNXBMFYSA-N 2 2 303.450 2.683 40 0 DFABLP CC(C)[NH2+]CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000193526877 201068802 /nfs/dbraw/zinc/06/88/02/201068802.db2.gz TZYPLWQAUDXOQG-GJZGRUSLSA-N 2 2 300.805 2.897 40 0 DFABLP CC(C)[NH2+]CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193526847 201069275 /nfs/dbraw/zinc/06/92/75/201069275.db2.gz TZYPLWQAUDXOQG-LSDHHAIUSA-N 2 2 300.805 2.897 40 0 DFABLP Cc1cccc(C[N@H+]2CCC[C@@H]2c2cncc(C[NH+](C)C)n2)n1 ZINC000257334693 203055993 /nfs/dbraw/zinc/05/59/93/203055993.db2.gz YHAAORURRCUBFP-GOSISDBHSA-N 2 2 311.433 2.579 40 0 DFABLP Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cncc(C[NH+](C)C)n2)n1 ZINC000257334693 203055997 /nfs/dbraw/zinc/05/59/97/203055997.db2.gz YHAAORURRCUBFP-GOSISDBHSA-N 2 2 311.433 2.579 40 0 DFABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3cccs3)CCO2)cc[nH+]1 ZINC000257313165 203036709 /nfs/dbraw/zinc/03/67/09/203036709.db2.gz URGCFEWMJFZCGV-CQSZACIVSA-N 2 2 303.431 2.559 40 0 DFABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3cccs3)CCO2)cc[nH+]1 ZINC000257313165 203036713 /nfs/dbraw/zinc/03/67/13/203036713.db2.gz URGCFEWMJFZCGV-CQSZACIVSA-N 2 2 303.431 2.559 40 0 DFABLP Cn1cc[nH+]c1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000195560632 399186484 /nfs/dbraw/zinc/18/64/84/399186484.db2.gz IWLUQFSBUYWFRZ-SFHVURJKSA-N 2 2 310.376 2.876 40 0 DFABLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000023247894 182354675 /nfs/dbraw/zinc/35/46/75/182354675.db2.gz ZQSJBLIXHYUUEX-KRWDZBQOSA-N 2 2 313.445 2.719 40 0 DFABLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000023247894 182354678 /nfs/dbraw/zinc/35/46/78/182354678.db2.gz ZQSJBLIXHYUUEX-KRWDZBQOSA-N 2 2 313.445 2.719 40 0 DFABLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)n1C ZINC000012143564 425719538 /nfs/dbraw/zinc/71/95/38/425719538.db2.gz JLAAUQIYEDPBHZ-SFHVURJKSA-N 2 2 317.408 2.741 40 0 DFABLP Cc1[nH+]cc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)n1C ZINC000012143564 425719540 /nfs/dbraw/zinc/71/95/40/425719540.db2.gz JLAAUQIYEDPBHZ-SFHVURJKSA-N 2 2 317.408 2.741 40 0 DFABLP Cc1[nH+]cc(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)n1C ZINC000012143565 425720397 /nfs/dbraw/zinc/72/03/97/425720397.db2.gz JLAAUQIYEDPBHZ-GOSISDBHSA-N 2 2 317.408 2.741 40 0 DFABLP Cc1[nH+]cc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)n1C ZINC000012143565 425720399 /nfs/dbraw/zinc/72/03/99/425720399.db2.gz JLAAUQIYEDPBHZ-GOSISDBHSA-N 2 2 317.408 2.741 40 0 DFABLP Cc1cc(N2CC[NH+](CC(C)C)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019698258 425789925 /nfs/dbraw/zinc/78/99/25/425789925.db2.gz GWOZUDNYYIAUMY-QGZVFWFLSA-N 3 2 302.466 2.593 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccco4)C[C@H]3C2)c1 ZINC000096053848 426392359 /nfs/dbraw/zinc/39/23/59/426392359.db2.gz GEQMYQMFNMOKHV-HZPDHXFCSA-N 2 2 300.377 2.983 40 0 DFABLP c1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cc1 ZINC000096219053 426409929 /nfs/dbraw/zinc/40/99/29/426409929.db2.gz ZFGZXWFEFLNVAI-HKUYNNGSSA-N 2 2 309.413 2.927 40 0 DFABLP c1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4cccc[nH+]4)CO3)C2)cc1 ZINC000096219053 426409932 /nfs/dbraw/zinc/40/99/32/426409932.db2.gz ZFGZXWFEFLNVAI-HKUYNNGSSA-N 2 2 309.413 2.927 40 0 DFABLP C[NH+](C)CC[C@@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000248074142 426976919 /nfs/dbraw/zinc/97/69/19/426976919.db2.gz BKTMVAZLWRYWLP-OAHLLOKOSA-N 2 2 308.853 2.883 40 0 DFABLP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](Cn4cc[nH+]c4)CC[C@@H]32)s1 ZINC000248087690 426980768 /nfs/dbraw/zinc/98/07/68/426980768.db2.gz KNRAVIJKLGZMSQ-BHYGNILZSA-N 2 2 317.458 2.933 40 0 DFABLP Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](Cn4cc[nH+]c4)CC[C@@H]32)s1 ZINC000248087690 426980771 /nfs/dbraw/zinc/98/07/71/426980771.db2.gz KNRAVIJKLGZMSQ-BHYGNILZSA-N 2 2 317.458 2.933 40 0 DFABLP C[NH+](C)C[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000248157209 426984355 /nfs/dbraw/zinc/98/43/55/426984355.db2.gz ZOLWNEVXBGWQEQ-AWEZNQCLSA-N 2 2 322.815 2.794 40 0 DFABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257209336 427311538 /nfs/dbraw/zinc/31/15/38/427311538.db2.gz BPZYFTCSJGARSV-HNNXBMFYSA-N 2 2 313.401 2.869 40 0 DFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257209336 427311544 /nfs/dbraw/zinc/31/15/44/427311544.db2.gz BPZYFTCSJGARSV-HNNXBMFYSA-N 2 2 313.401 2.869 40 0 DFABLP CNc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cnccn2)[nH+]1 ZINC000257256418 427325254 /nfs/dbraw/zinc/32/52/54/427325254.db2.gz KLKFCNYAAXUOSM-QGZVFWFLSA-N 2 2 311.433 2.901 40 0 DFABLP CNc1cccc(CC[C@H]2CCCC[N@H+]2Cc2cnccn2)[nH+]1 ZINC000257256418 427325257 /nfs/dbraw/zinc/32/52/57/427325257.db2.gz KLKFCNYAAXUOSM-QGZVFWFLSA-N 2 2 311.433 2.901 40 0 DFABLP Cc1nc(Cn2cc[nH+]c2[C@H]2C[NH2+]Cc3ccccc32)cs1 ZINC000306133227 281911979 /nfs/dbraw/zinc/91/19/79/281911979.db2.gz MFXUJPBZBYFVJD-INIZCTEOSA-N 2 2 310.426 2.931 40 0 DFABLP C[N@@H+]1CC[C@H](Cc2cccc(NCCC3(O)CCCC3)[nH+]2)C1 ZINC000072366204 191135185 /nfs/dbraw/zinc/13/51/85/191135185.db2.gz PEHFUPRJUDORII-OAHLLOKOSA-N 2 2 303.450 2.683 40 0 DFABLP C[N@H+]1CC[C@H](Cc2cccc(NCCC3(O)CCCC3)[nH+]2)C1 ZINC000072366204 191135187 /nfs/dbraw/zinc/13/51/87/191135187.db2.gz PEHFUPRJUDORII-OAHLLOKOSA-N 2 2 303.450 2.683 40 0 DFABLP c1cn(-c2cccc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)c[nH+]1 ZINC000072378628 191140751 /nfs/dbraw/zinc/14/07/51/191140751.db2.gz XKVHOOGISMIUHO-QGZVFWFLSA-N 2 2 305.385 2.999 40 0 DFABLP c1cn(-c2cccc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)c[nH+]1 ZINC000072378628 191140752 /nfs/dbraw/zinc/14/07/52/191140752.db2.gz XKVHOOGISMIUHO-QGZVFWFLSA-N 2 2 305.385 2.999 40 0 DFABLP Nc1cc(CC[C@H]2C[N@H+](Cc3cccs3)CCO2)cc[nH+]1 ZINC000257313164 203036565 /nfs/dbraw/zinc/03/65/65/203036565.db2.gz URGCFEWMJFZCGV-AWEZNQCLSA-N 2 2 303.431 2.559 40 0 DFABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3cccs3)CCO2)cc[nH+]1 ZINC000257313164 203036569 /nfs/dbraw/zinc/03/65/69/203036569.db2.gz URGCFEWMJFZCGV-AWEZNQCLSA-N 2 2 303.431 2.559 40 0 DFABLP Cc1c[nH]c([C@H]2CCCN2C(=O)CCn2cc[nH+]c2C(C)C)[nH+]1 ZINC000257314287 203037951 /nfs/dbraw/zinc/03/79/51/203037951.db2.gz UWFGEPDJSZYWTA-CQSZACIVSA-N 2 2 315.421 2.792 40 0 DFABLP Nc1cc(CC[C@H]2C[N@H+](Cc3cccc(F)c3)CCO2)cc[nH+]1 ZINC000257336702 203058869 /nfs/dbraw/zinc/05/88/69/203058869.db2.gz YPQNIWKXQKSCIZ-KRWDZBQOSA-N 2 2 315.392 2.637 40 0 DFABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3cccc(F)c3)CCO2)cc[nH+]1 ZINC000257336702 203058873 /nfs/dbraw/zinc/05/88/73/203058873.db2.gz YPQNIWKXQKSCIZ-KRWDZBQOSA-N 2 2 315.392 2.637 40 0 DFABLP C[C@H](C(=O)N1CCCC[C@@H]1C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439444 425812015 /nfs/dbraw/zinc/81/20/15/425812015.db2.gz QYFIXKUOZNBGRG-DLBZAZTESA-N 2 2 321.509 2.726 40 0 DFABLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000049596431 425879820 /nfs/dbraw/zinc/87/98/20/425879820.db2.gz FQMNCIPEKBTUNI-LLVKDONJSA-N 2 2 301.203 2.759 40 0 DFABLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000049596431 425879821 /nfs/dbraw/zinc/87/98/21/425879821.db2.gz FQMNCIPEKBTUNI-LLVKDONJSA-N 2 2 301.203 2.759 40 0 DFABLP C[C@@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000085423406 426250856 /nfs/dbraw/zinc/25/08/56/426250856.db2.gz JTCTWZIAEFDKME-KGLIPLIRSA-N 2 2 321.469 2.623 40 0 DFABLP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccccc1Cl)C2 ZINC000096217937 426407396 /nfs/dbraw/zinc/40/73/96/426407396.db2.gz OOQICNUWUJLMAO-NVXWUHKLSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccccc1Cl)C2 ZINC000096217937 426407399 /nfs/dbraw/zinc/40/73/99/426407399.db2.gz OOQICNUWUJLMAO-NVXWUHKLSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccccc1Cl)C2 ZINC000096217937 426407400 /nfs/dbraw/zinc/40/74/00/426407400.db2.gz OOQICNUWUJLMAO-NVXWUHKLSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000096217937 426407404 /nfs/dbraw/zinc/40/74/04/426407404.db2.gz OOQICNUWUJLMAO-NVXWUHKLSA-N 2 2 308.853 2.740 40 0 DFABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)[N@@H+]1C ZINC000096206570 426407885 /nfs/dbraw/zinc/40/78/85/426407885.db2.gz TYTSPGXHJKBBEX-KRWDZBQOSA-N 2 2 303.450 2.547 40 0 DFABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)[N@H+]1C ZINC000096206570 426407889 /nfs/dbraw/zinc/40/78/89/426407889.db2.gz TYTSPGXHJKBBEX-KRWDZBQOSA-N 2 2 303.450 2.547 40 0 DFABLP c1ccc(N[C@@H]2CCO[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)[nH+]c1 ZINC000096218345 426408919 /nfs/dbraw/zinc/40/89/19/426408919.db2.gz IUURGORDOBZRLJ-IEBWSBKVSA-N 2 2 324.428 2.712 40 0 DFABLP c1ccc(N[C@@H]2CCO[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)[nH+]c1 ZINC000096218345 426408921 /nfs/dbraw/zinc/40/89/21/426408921.db2.gz IUURGORDOBZRLJ-IEBWSBKVSA-N 2 2 324.428 2.712 40 0 DFABLP COc1cccc(F)c1C[N@@H+]1CC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257246928 427320066 /nfs/dbraw/zinc/32/00/66/427320066.db2.gz IWPSIYVDTAHPIR-CYBMUJFWSA-N 2 2 303.381 2.866 40 0 DFABLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc(OC)c1 ZINC000257239756 427322039 /nfs/dbraw/zinc/32/20/39/427322039.db2.gz HQRBNLXSEDISEN-CQSZACIVSA-N 2 2 301.390 2.725 40 0 DFABLP COc1cc(C[N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc(OC)c1 ZINC000257239756 427322043 /nfs/dbraw/zinc/32/20/43/427322043.db2.gz HQRBNLXSEDISEN-CQSZACIVSA-N 2 2 301.390 2.725 40 0 DFABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257286871 427331655 /nfs/dbraw/zinc/33/16/55/427331655.db2.gz PNKOWUILGXRROE-HNNXBMFYSA-N 2 2 302.447 2.937 40 0 DFABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257286871 427331660 /nfs/dbraw/zinc/33/16/60/427331660.db2.gz PNKOWUILGXRROE-HNNXBMFYSA-N 2 2 302.447 2.937 40 0 DFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000192009620 427461758 /nfs/dbraw/zinc/46/17/58/427461758.db2.gz UHMDKXRLUKDWCV-GOSISDBHSA-N 2 2 322.416 2.609 40 0 DFABLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000192009620 427461763 /nfs/dbraw/zinc/46/17/63/427461763.db2.gz UHMDKXRLUKDWCV-GOSISDBHSA-N 2 2 322.416 2.609 40 0 DFABLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000192577673 427565336 /nfs/dbraw/zinc/56/53/36/427565336.db2.gz HOPJZPWRIFIZAS-KBPBESRZSA-N 2 2 315.421 2.648 40 0 DFABLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000192577673 427565343 /nfs/dbraw/zinc/56/53/43/427565343.db2.gz HOPJZPWRIFIZAS-KBPBESRZSA-N 2 2 315.421 2.648 40 0 DFABLP Cc1ccc(C[NH+]2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)o1 ZINC000096036998 280813693 /nfs/dbraw/zinc/81/36/93/280813693.db2.gz HJKBBGLEMQCGRS-UHFFFAOYSA-N 2 2 314.433 2.530 40 0 DFABLP c1cc(C[N@H+]2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)cs1 ZINC000306134219 231087742 /nfs/dbraw/zinc/08/77/42/231087742.db2.gz NFYNUHAYNSQBGV-BZUAXINKSA-N 2 2 315.442 2.702 40 0 DFABLP c1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)cs1 ZINC000306134219 231087744 /nfs/dbraw/zinc/08/77/44/231087744.db2.gz NFYNUHAYNSQBGV-BZUAXINKSA-N 2 2 315.442 2.702 40 0 DFABLP CCc1[nH]c(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H](O)C2)c(C)[nH+]1 ZINC000585279777 398439688 /nfs/dbraw/zinc/43/96/88/398439688.db2.gz ORWCTEIUZNFNOX-SJLPKXTDSA-N 2 2 313.445 2.706 40 0 DFABLP CCc1[nH]c(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H](O)C2)c(C)[nH+]1 ZINC000585279777 398439689 /nfs/dbraw/zinc/43/96/89/398439689.db2.gz ORWCTEIUZNFNOX-SJLPKXTDSA-N 2 2 313.445 2.706 40 0 DFABLP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000034338883 398548605 /nfs/dbraw/zinc/54/86/05/398548605.db2.gz NJTVUDGJKBDXLV-OAQYLSRUSA-N 2 2 323.484 2.935 40 0 DFABLP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000034338883 398548610 /nfs/dbraw/zinc/54/86/10/398548610.db2.gz NJTVUDGJKBDXLV-OAQYLSRUSA-N 2 2 323.484 2.935 40 0 DFABLP Cc1[nH+]cc(C[NH2+]CC2(O)CCSCC2)n1-c1ccccc1 ZINC000084045328 192396284 /nfs/dbraw/zinc/39/62/84/192396284.db2.gz JLYZSTFDHNUUJI-UHFFFAOYSA-N 2 2 317.458 2.528 40 0 DFABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cncn2C)n1 ZINC000072355631 191130626 /nfs/dbraw/zinc/13/06/26/191130626.db2.gz DJNQDAOCSNEFIB-QGZVFWFLSA-N 2 2 322.416 2.646 40 0 DFABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cncn2C)n1 ZINC000072355631 191130627 /nfs/dbraw/zinc/13/06/27/191130627.db2.gz DJNQDAOCSNEFIB-QGZVFWFLSA-N 2 2 322.416 2.646 40 0 DFABLP Cc1cnn(CCC[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000084019199 542505141 /nfs/dbraw/zinc/50/51/41/542505141.db2.gz GYIKIKZFAJFPQF-UHFFFAOYSA-N 2 2 309.417 2.866 40 0 DFABLP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188688 425721844 /nfs/dbraw/zinc/72/18/44/425721844.db2.gz ZJCBWPZEZZIFBU-PMACEKPBSA-N 3 2 315.505 2.782 40 0 DFABLP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188688 425721845 /nfs/dbraw/zinc/72/18/45/425721845.db2.gz ZJCBWPZEZZIFBU-PMACEKPBSA-N 3 2 315.505 2.782 40 0 DFABLP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188688 425721850 /nfs/dbraw/zinc/72/18/50/425721850.db2.gz ZJCBWPZEZZIFBU-PMACEKPBSA-N 3 2 315.505 2.782 40 0 DFABLP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000012188688 425721855 /nfs/dbraw/zinc/72/18/55/425721855.db2.gz ZJCBWPZEZZIFBU-PMACEKPBSA-N 3 2 315.505 2.782 40 0 DFABLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1nc(C(C)(C)C)no1 ZINC000084667599 426243357 /nfs/dbraw/zinc/24/33/57/426243357.db2.gz ZMFGRLDQTTYQSA-NWDGAFQWSA-N 2 2 303.410 2.792 40 0 DFABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1cccnc1)[C@H]2C ZINC000096061983 426394116 /nfs/dbraw/zinc/39/41/16/426394116.db2.gz FBMDDDLQRQRNIU-HNNXBMFYSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1cccnc1)[C@H]2C ZINC000096061983 426394120 /nfs/dbraw/zinc/39/41/20/426394120.db2.gz FBMDDDLQRQRNIU-HNNXBMFYSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cccnc1)[C@H]2C ZINC000096061983 426394121 /nfs/dbraw/zinc/39/41/21/426394121.db2.gz FBMDDDLQRQRNIU-HNNXBMFYSA-N 2 2 313.449 2.695 40 0 DFABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cccnc1)[C@H]2C ZINC000096061983 426394124 /nfs/dbraw/zinc/39/41/24/426394124.db2.gz FBMDDDLQRQRNIU-HNNXBMFYSA-N 2 2 313.449 2.695 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096110652 426399321 /nfs/dbraw/zinc/39/93/21/426399321.db2.gz MMKPKLNHWJQQNK-IAGOWNOFSA-N 2 2 311.404 2.785 40 0 DFABLP Cn1cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccn1)C2 ZINC000096158027 426402100 /nfs/dbraw/zinc/40/21/00/426402100.db2.gz GOFZSHZMDQTMFT-HXUWFJFHSA-N 2 2 324.472 2.908 40 0 DFABLP Cn1cccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccn1)C2 ZINC000096158027 426402103 /nfs/dbraw/zinc/40/21/03/426402103.db2.gz GOFZSHZMDQTMFT-HXUWFJFHSA-N 2 2 324.472 2.908 40 0 DFABLP Cn1cccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158027 426402105 /nfs/dbraw/zinc/40/21/05/426402105.db2.gz GOFZSHZMDQTMFT-HXUWFJFHSA-N 2 2 324.472 2.908 40 0 DFABLP Cn1cccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158027 426402108 /nfs/dbraw/zinc/40/21/08/426402108.db2.gz GOFZSHZMDQTMFT-HXUWFJFHSA-N 2 2 324.472 2.908 40 0 DFABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096046955 426390389 /nfs/dbraw/zinc/39/03/89/426390389.db2.gz PJQSRHSHOYOXGL-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096046955 426390393 /nfs/dbraw/zinc/39/03/93/426390393.db2.gz PJQSRHSHOYOXGL-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000096046955 426390394 /nfs/dbraw/zinc/39/03/94/426390394.db2.gz PJQSRHSHOYOXGL-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000096046955 426390397 /nfs/dbraw/zinc/39/03/97/426390397.db2.gz PJQSRHSHOYOXGL-FQEVSTJZSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(N[C@@H]2CCO[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)[nH+]c1 ZINC000096206393 426407235 /nfs/dbraw/zinc/40/72/35/426407235.db2.gz XAIUVNAMQRPICW-IEBWSBKVSA-N 2 2 324.428 2.712 40 0 DFABLP c1ccc(N[C@@H]2CCO[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)[nH+]c1 ZINC000096206393 426407238 /nfs/dbraw/zinc/40/72/38/426407238.db2.gz XAIUVNAMQRPICW-IEBWSBKVSA-N 2 2 324.428 2.712 40 0 DFABLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccco1)CC2 ZINC000096255930 426410699 /nfs/dbraw/zinc/41/06/99/426410699.db2.gz ODLSUNUFPGQETD-UHFFFAOYSA-N 2 2 302.422 2.677 40 0 DFABLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096255930 426410702 /nfs/dbraw/zinc/41/07/02/426410702.db2.gz ODLSUNUFPGQETD-UHFFFAOYSA-N 2 2 302.422 2.677 40 0 DFABLP C[NH+](C)CC[C@@H]1CN(Cc2ccccc2F)Cc2c[nH+]cn21 ZINC000248140404 426984163 /nfs/dbraw/zinc/98/41/63/426984163.db2.gz TZLPRRSMKIYKNC-OAHLLOKOSA-N 2 2 302.397 2.531 40 0 DFABLP C[C@H]1c2ccccc2CCN1c1cc[nH+]c(NCC[NH+](C)C)n1 ZINC000328990960 427020911 /nfs/dbraw/zinc/02/09/11/427020911.db2.gz IQULZVZMGHDVAN-AWEZNQCLSA-N 2 2 311.433 2.574 40 0 DFABLP CCn1nc(C)c(C[N@@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257226198 427316997 /nfs/dbraw/zinc/31/69/97/427316997.db2.gz FJPMMKHULHCONX-HNNXBMFYSA-N 2 2 301.438 2.551 40 0 DFABLP CCn1nc(C)c(C[N@H+]2CC[C@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257226198 427317006 /nfs/dbraw/zinc/31/70/06/427317006.db2.gz FJPMMKHULHCONX-HNNXBMFYSA-N 2 2 301.438 2.551 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2nccs2)n1 ZINC000257248988 427326198 /nfs/dbraw/zinc/32/61/98/427326198.db2.gz JGDXHQAHGNKEIP-AWEZNQCLSA-N 2 2 317.462 2.640 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2nccs2)n1 ZINC000257248988 427326203 /nfs/dbraw/zinc/32/62/03/427326203.db2.gz JGDXHQAHGNKEIP-AWEZNQCLSA-N 2 2 317.462 2.640 40 0 DFABLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)ccc1F ZINC000257260427 427329060 /nfs/dbraw/zinc/32/90/60/427329060.db2.gz LCTZCKZUGKWMQU-CQSZACIVSA-N 2 2 303.381 2.866 40 0 DFABLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]c(C)cn3C)C2)ccc1F ZINC000257260427 427329063 /nfs/dbraw/zinc/32/90/63/427329063.db2.gz LCTZCKZUGKWMQU-CQSZACIVSA-N 2 2 303.381 2.866 40 0 DFABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072355598 191130737 /nfs/dbraw/zinc/13/07/37/191130737.db2.gz RENDITDBWPRUGQ-KRWDZBQOSA-N 2 2 322.416 2.646 40 0 DFABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072355598 191130738 /nfs/dbraw/zinc/13/07/38/191130738.db2.gz RENDITDBWPRUGQ-KRWDZBQOSA-N 2 2 322.416 2.646 40 0 DFABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000096048551 398659233 /nfs/dbraw/zinc/65/92/33/398659233.db2.gz HSTSFANUTXQSLQ-JKSUJKDBSA-N 2 2 303.431 2.941 40 0 DFABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000096048551 398659236 /nfs/dbraw/zinc/65/92/36/398659236.db2.gz HSTSFANUTXQSLQ-JKSUJKDBSA-N 2 2 303.431 2.941 40 0 DFABLP Nc1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc[nH+]1 ZINC000193446174 201052607 /nfs/dbraw/zinc/05/26/07/201052607.db2.gz JZUJLMFVCMLDLN-CYBMUJFWSA-N 2 2 303.793 2.971 40 0 DFABLP Nc1cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc[nH+]1 ZINC000193446174 201052612 /nfs/dbraw/zinc/05/26/12/201052612.db2.gz JZUJLMFVCMLDLN-CYBMUJFWSA-N 2 2 303.793 2.971 40 0 DFABLP CCCCOC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000195215955 201359885 /nfs/dbraw/zinc/35/98/85/201359885.db2.gz VPEAKMUWRBWQLP-QAPCUYQASA-N 2 2 317.433 2.701 40 0 DFABLP Cc1c[nH]c([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2C(C)C)[nH+]1 ZINC000257314286 203038790 /nfs/dbraw/zinc/03/87/90/203038790.db2.gz UWFGEPDJSZYWTA-AWEZNQCLSA-N 2 2 315.421 2.792 40 0 DFABLP Cc1nn(C)cc1-c1c[nH+]cn1Cc1ccccc1C[NH+](C)C ZINC000019719442 182137802 /nfs/dbraw/zinc/13/78/02/182137802.db2.gz YFRSWYHOEPIJDA-UHFFFAOYSA-N 2 2 309.417 2.702 40 0 DFABLP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)s1 ZINC000084774533 542514737 /nfs/dbraw/zinc/51/47/37/542514737.db2.gz PLRIYVJLADVNOJ-CYBMUJFWSA-N 2 2 319.478 2.853 40 0 DFABLP O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000085333869 542515901 /nfs/dbraw/zinc/51/59/01/542515901.db2.gz DTVIGIGNFDKWOK-OALUTQOASA-N 2 2 305.381 2.620 40 0 DFABLP Cc1ccccc1Nc1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228934058 257214610 /nfs/dbraw/zinc/21/46/10/257214610.db2.gz WQSZQIKRGVDIJE-UHFFFAOYSA-N 2 2 308.389 2.803 40 0 DFABLP CCCCc1noc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000084746894 426244313 /nfs/dbraw/zinc/24/43/13/426244313.db2.gz LIGPRSGTVCEZKP-OLZOCXBDSA-N 2 2 303.410 2.837 40 0 DFABLP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000096110633 426399339 /nfs/dbraw/zinc/39/93/39/426399339.db2.gz GNDWXZFSVSAJRR-RTBURBONSA-N 2 2 323.440 2.654 40 0 DFABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccoc1)CC2 ZINC000096037053 426388937 /nfs/dbraw/zinc/38/89/37/426388937.db2.gz SNKSBWQRKVVZQX-UHFFFAOYSA-N 2 2 314.433 2.611 40 0 DFABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096046956 426391275 /nfs/dbraw/zinc/39/12/75/426391275.db2.gz PJQSRHSHOYOXGL-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096046956 426391276 /nfs/dbraw/zinc/39/12/76/426391276.db2.gz PJQSRHSHOYOXGL-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000096046956 426391280 /nfs/dbraw/zinc/39/12/80/426391280.db2.gz PJQSRHSHOYOXGL-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000096046956 426391283 /nfs/dbraw/zinc/39/12/83/426391283.db2.gz PJQSRHSHOYOXGL-HXUWFJFHSA-N 2 2 322.456 2.965 40 0 DFABLP c1csc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)c1 ZINC000096048912 426393193 /nfs/dbraw/zinc/39/31/93/426393193.db2.gz KCABFLVUTDZBGT-UHFFFAOYSA-N 2 2 306.475 2.825 40 0 DFABLP c1csc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)c1 ZINC000096048912 426393196 /nfs/dbraw/zinc/39/31/96/426393196.db2.gz KCABFLVUTDZBGT-UHFFFAOYSA-N 2 2 306.475 2.825 40 0 DFABLP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000096216493 426407703 /nfs/dbraw/zinc/40/77/03/426407703.db2.gz OIQYZXVHHRGNEC-NVXWUHKLSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000096216493 426407706 /nfs/dbraw/zinc/40/77/06/426407706.db2.gz OIQYZXVHHRGNEC-NVXWUHKLSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000096216493 426407708 /nfs/dbraw/zinc/40/77/08/426407708.db2.gz OIQYZXVHHRGNEC-NVXWUHKLSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000096216493 426407711 /nfs/dbraw/zinc/40/77/11/426407711.db2.gz OIQYZXVHHRGNEC-NVXWUHKLSA-N 2 2 308.853 2.740 40 0 DFABLP COC[C@H]1CCC2(CC[NH+](Cc3ccccc3OC)CC2)[N@@H+]1C ZINC000096215455 426408533 /nfs/dbraw/zinc/40/85/33/426408533.db2.gz VDDAEBLGDRJBSJ-QGZVFWFLSA-N 2 2 318.461 2.770 40 0 DFABLP COC[C@H]1CCC2(CC[NH+](Cc3ccccc3OC)CC2)[N@H+]1C ZINC000096215455 426408534 /nfs/dbraw/zinc/40/85/34/426408534.db2.gz VDDAEBLGDRJBSJ-QGZVFWFLSA-N 2 2 318.461 2.770 40 0 DFABLP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@H+](Cc1ccccc1)C2 ZINC000585112336 398433478 /nfs/dbraw/zinc/43/34/78/398433478.db2.gz NGNYZWNYMLSBCY-IBGZPJMESA-N 2 2 310.445 2.926 40 0 DFABLP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@@H+](Cc1ccccc1)C2 ZINC000585112336 398433480 /nfs/dbraw/zinc/43/34/80/398433480.db2.gz NGNYZWNYMLSBCY-IBGZPJMESA-N 2 2 310.445 2.926 40 0 DFABLP c1cn(-c2cncc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)c[nH+]1 ZINC000072378661 191140456 /nfs/dbraw/zinc/14/04/56/191140456.db2.gz ZEGLJCCEEDLBKU-KRWDZBQOSA-N 2 2 305.385 2.999 40 0 DFABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)c[nH+]1 ZINC000072378661 191140457 /nfs/dbraw/zinc/14/04/57/191140457.db2.gz ZEGLJCCEEDLBKU-KRWDZBQOSA-N 2 2 305.385 2.999 40 0 DFABLP Cc1cc(NC2CC3(C2)CC[N@H+](Cc2cccnc2)C3)nc[nH+]1 ZINC000257273347 203000932 /nfs/dbraw/zinc/00/09/32/203000932.db2.gz NGEFNJREXQHBPW-UHFFFAOYSA-N 2 2 309.417 2.647 40 0 DFABLP Cc1cc(NC2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)nc[nH+]1 ZINC000257273347 203000936 /nfs/dbraw/zinc/00/09/36/203000936.db2.gz NGEFNJREXQHBPW-UHFFFAOYSA-N 2 2 309.417 2.647 40 0 DFABLP COc1ncc(C[N@@H+]2CCC[C@H]2CCc2cc[nH+]c(C)c2)cn1 ZINC000257318926 203042881 /nfs/dbraw/zinc/04/28/81/203042881.db2.gz VPZKFHFBTLJXJO-KRWDZBQOSA-N 2 2 312.417 2.786 40 0 DFABLP COc1ncc(C[N@H+]2CCC[C@H]2CCc2cc[nH+]c(C)c2)cn1 ZINC000257318926 203042885 /nfs/dbraw/zinc/04/28/85/203042885.db2.gz VPZKFHFBTLJXJO-KRWDZBQOSA-N 2 2 312.417 2.786 40 0 DFABLP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)c(F)c2)CC1 ZINC000195557916 399185291 /nfs/dbraw/zinc/18/52/91/399185291.db2.gz VBSLKHIVQGQIKL-INIZCTEOSA-N 2 2 314.832 2.975 40 0 DFABLP COCC[NH+]1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000063528255 184285131 /nfs/dbraw/zinc/28/51/31/184285131.db2.gz FLWSSRTZTBDQFR-UHFFFAOYSA-N 2 2 311.429 2.934 40 0 DFABLP COC(=O)c1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000083897360 542504259 /nfs/dbraw/zinc/50/42/59/542504259.db2.gz SYYOAPXJTHGDIV-UHFFFAOYSA-N 2 2 321.380 2.949 40 0 DFABLP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000085333870 542516211 /nfs/dbraw/zinc/51/62/11/542516211.db2.gz DTVIGIGNFDKWOK-MOPGFXCFSA-N 2 2 305.381 2.620 40 0 DFABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188311 426405286 /nfs/dbraw/zinc/40/52/86/426405286.db2.gz OEFXTOCZUUXYDP-MRXNPFEDSA-N 2 2 318.490 2.917 40 0 DFABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccsc2)C1 ZINC000096188311 426405289 /nfs/dbraw/zinc/40/52/89/426405289.db2.gz OEFXTOCZUUXYDP-MRXNPFEDSA-N 2 2 318.490 2.917 40 0 DFABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2ccsc2)CC1 ZINC000096036995 426389197 /nfs/dbraw/zinc/38/91/97/426389197.db2.gz NZZUOOSYFPRLKJ-UHFFFAOYSA-N 2 2 316.474 2.690 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)c1 ZINC000096053904 426393122 /nfs/dbraw/zinc/39/31/22/426393122.db2.gz NKGIUXMIBOBKQX-QZTJIDSGSA-N 2 2 318.436 2.616 40 0 DFABLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000096249230 426410889 /nfs/dbraw/zinc/41/08/89/426410889.db2.gz BAPCCJNRVAAEOP-CVEARBPZSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000096249230 426410893 /nfs/dbraw/zinc/41/08/93/426410893.db2.gz BAPCCJNRVAAEOP-CVEARBPZSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000096249230 426410896 /nfs/dbraw/zinc/41/08/96/426410896.db2.gz BAPCCJNRVAAEOP-CVEARBPZSA-N 2 2 314.458 2.635 40 0 DFABLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CC[C@@H]32)n1 ZINC000096249230 426410900 /nfs/dbraw/zinc/41/09/00/426410900.db2.gz BAPCCJNRVAAEOP-CVEARBPZSA-N 2 2 314.458 2.635 40 0 DFABLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2cc[nH+]cc2)C1 ZINC000225732058 426609998 /nfs/dbraw/zinc/60/99/98/426609998.db2.gz MCQJSASLPMSNIZ-OKILXGFUSA-N 2 2 306.479 2.736 40 0 DFABLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2cc[nH+]cc2)C1 ZINC000225732058 426610000 /nfs/dbraw/zinc/61/00/00/426610000.db2.gz MCQJSASLPMSNIZ-OKILXGFUSA-N 2 2 306.479 2.736 40 0 DFABLP Cc1cc(C[N@@H+]2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1 ZINC000257207242 427310411 /nfs/dbraw/zinc/31/04/11/427310411.db2.gz BGZHPGIDMBUCCH-CQSZACIVSA-N 2 2 300.406 2.742 40 0 DFABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2cccn2C)n1 ZINC000257231205 427318193 /nfs/dbraw/zinc/31/81/93/427318193.db2.gz GFTYUMINHLFBQQ-QGZVFWFLSA-N 2 2 313.449 2.522 40 0 DFABLP Cc1cnccc1C[N@H+]1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257329598 203052621 /nfs/dbraw/zinc/05/26/21/203052621.db2.gz XKRQMJPLKRITJX-GOSISDBHSA-N 2 2 311.433 2.579 40 0 DFABLP Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257329598 203052623 /nfs/dbraw/zinc/05/26/23/203052623.db2.gz XKRQMJPLKRITJX-GOSISDBHSA-N 2 2 311.433 2.579 40 0 DFABLP Nc1cc(CC[C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)cc[nH+]1 ZINC000257336314 203058192 /nfs/dbraw/zinc/05/81/92/203058192.db2.gz YNWYXVISBVDBIH-KRWDZBQOSA-N 2 2 315.392 2.637 40 0 DFABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)cc[nH+]1 ZINC000257336314 203058195 /nfs/dbraw/zinc/05/81/95/203058195.db2.gz YNWYXVISBVDBIH-KRWDZBQOSA-N 2 2 315.392 2.637 40 0 DFABLP Cn1ccnc1C[NH2+]C[C@@H]1CCCn2cc(C(C)(C)C)[nH+]c21 ZINC000084284639 542507611 /nfs/dbraw/zinc/50/76/11/542507611.db2.gz HVQXSXQCURRRTQ-ZDUSSCGKSA-N 2 2 301.438 2.581 40 0 DFABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053876 426392784 /nfs/dbraw/zinc/39/27/84/426392784.db2.gz IBSIUYXHEMSVNE-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053876 426392786 /nfs/dbraw/zinc/39/27/86/426392786.db2.gz IBSIUYXHEMSVNE-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053876 426392787 /nfs/dbraw/zinc/39/27/87/426392787.db2.gz IBSIUYXHEMSVNE-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053876 426392790 /nfs/dbraw/zinc/39/27/90/426392790.db2.gz IBSIUYXHEMSVNE-HDICACEKSA-N 2 2 311.404 2.785 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053878 426393097 /nfs/dbraw/zinc/39/30/97/426393097.db2.gz IBSIUYXHEMSVNE-QZTJIDSGSA-N 2 2 311.404 2.785 40 0 DFABLP Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000096219670 426408968 /nfs/dbraw/zinc/40/89/68/426408968.db2.gz SLTHEGUMKPSSKK-HOCLYGCPSA-N 2 2 303.431 2.859 40 0 DFABLP Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000096219670 426408970 /nfs/dbraw/zinc/40/89/70/426408970.db2.gz SLTHEGUMKPSSKK-HOCLYGCPSA-N 2 2 303.431 2.859 40 0 DFABLP Cc1cccc(N2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)[nH+]1 ZINC000257259189 427327571 /nfs/dbraw/zinc/32/75/71/427327571.db2.gz KXFWXCQHAAHIIC-INIZCTEOSA-N 2 2 311.433 2.892 40 0 DFABLP COC[C@H]1CCn2c[nH+]cc2C[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000585096955 430478325 /nfs/dbraw/zinc/47/83/25/430478325.db2.gz FYACPFNCJGXJMF-OAHLLOKOSA-N 2 2 310.401 2.785 40 0 DFABLP COC[C@H]1CCn2c[nH+]cc2C[N@H+]1Cc1cccc2[nH]ccc21 ZINC000585096955 430478330 /nfs/dbraw/zinc/47/83/30/430478330.db2.gz FYACPFNCJGXJMF-OAHLLOKOSA-N 2 2 310.401 2.785 40 0 DFABLP CC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000096049594 279380749 /nfs/dbraw/zinc/38/07/49/279380749.db2.gz DNMPCECJMZWQMP-SFHVURJKSA-N 2 2 306.425 2.760 40 0 DFABLP CC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC000096049594 279380752 /nfs/dbraw/zinc/38/07/52/279380752.db2.gz DNMPCECJMZWQMP-SFHVURJKSA-N 2 2 306.425 2.760 40 0 DFABLP CC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096049594 279380753 /nfs/dbraw/zinc/38/07/53/279380753.db2.gz DNMPCECJMZWQMP-SFHVURJKSA-N 2 2 306.425 2.760 40 0 DFABLP CC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096049594 279380757 /nfs/dbraw/zinc/38/07/57/279380757.db2.gz DNMPCECJMZWQMP-SFHVURJKSA-N 2 2 306.425 2.760 40 0 DFABLP Cn1nccc1C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019658622 182135103 /nfs/dbraw/zinc/13/51/03/182135103.db2.gz MQSWVHJYVFVROP-CQSZACIVSA-N 2 2 309.417 2.751 40 0 DFABLP Cn1nccc1C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000019658622 182135105 /nfs/dbraw/zinc/13/51/05/182135105.db2.gz MQSWVHJYVFVROP-CQSZACIVSA-N 2 2 309.417 2.751 40 0 DFABLP C[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000085423401 426251681 /nfs/dbraw/zinc/25/16/81/426251681.db2.gz JTCTWZIAEFDKME-ZIAGYGMSSA-N 2 2 321.469 2.623 40 0 DFABLP Fc1cccc(C[N@H+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053903 426392932 /nfs/dbraw/zinc/39/29/32/426392932.db2.gz NKGIUXMIBOBKQX-HDICACEKSA-N 2 2 318.436 2.616 40 0 DFABLP Fc1cccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053903 426392936 /nfs/dbraw/zinc/39/29/36/426392936.db2.gz NKGIUXMIBOBKQX-HDICACEKSA-N 2 2 318.436 2.616 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053903 426392938 /nfs/dbraw/zinc/39/29/38/426392938.db2.gz NKGIUXMIBOBKQX-HDICACEKSA-N 2 2 318.436 2.616 40 0 DFABLP Fc1cccc(C[NH+]2C[C@H]3C[N@H+](CC4CCOCC4)C[C@H]3C2)c1 ZINC000096053903 426392941 /nfs/dbraw/zinc/39/29/41/426392941.db2.gz NKGIUXMIBOBKQX-HDICACEKSA-N 2 2 318.436 2.616 40 0 DFABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccco4)C[C@@H]3C2)c1 ZINC000096053846 426393063 /nfs/dbraw/zinc/39/30/63/426393063.db2.gz GEQMYQMFNMOKHV-IYBDPMFKSA-N 2 2 300.377 2.983 40 0 DFABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccco4)C[C@@H]3C2)c1 ZINC000096053846 426393067 /nfs/dbraw/zinc/39/30/67/426393067.db2.gz GEQMYQMFNMOKHV-IYBDPMFKSA-N 2 2 300.377 2.983 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccco4)C[C@@H]3C2)c1 ZINC000096053846 426393069 /nfs/dbraw/zinc/39/30/69/426393069.db2.gz GEQMYQMFNMOKHV-IYBDPMFKSA-N 2 2 300.377 2.983 40 0 DFABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccco4)C[C@@H]3C2)c1 ZINC000096053846 426393072 /nfs/dbraw/zinc/39/30/72/426393072.db2.gz GEQMYQMFNMOKHV-IYBDPMFKSA-N 2 2 300.377 2.983 40 0 DFABLP c1ccc(CC[N@@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC000096216590 426408194 /nfs/dbraw/zinc/40/81/94/426408194.db2.gz XOMJHXPATGJJHD-MISYRCLQSA-N 2 2 324.424 2.650 40 0 DFABLP c1ccc(CC[N@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)cc1 ZINC000096216590 426408198 /nfs/dbraw/zinc/40/81/98/426408198.db2.gz XOMJHXPATGJJHD-MISYRCLQSA-N 2 2 324.424 2.650 40 0 DFABLP c1csc(C[N@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)c1 ZINC000096220753 426408741 /nfs/dbraw/zinc/40/87/41/426408741.db2.gz HMMZKUAHJQJDFG-PBHICJAKSA-N 2 2 315.442 2.704 40 0 DFABLP c1csc(C[N@@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)c1 ZINC000096220753 426408744 /nfs/dbraw/zinc/40/87/44/426408744.db2.gz HMMZKUAHJQJDFG-PBHICJAKSA-N 2 2 315.442 2.704 40 0 DFABLP CN(C)c1cc([C@@H]2CCC[N@H+](Cc3cncs3)C2)cc[nH+]1 ZINC000257284457 427333907 /nfs/dbraw/zinc/33/39/07/427333907.db2.gz PCTXBCQVIGYNMP-CQSZACIVSA-N 2 2 302.447 2.984 40 0 DFABLP CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3cncs3)C2)cc[nH+]1 ZINC000257284457 427333910 /nfs/dbraw/zinc/33/39/10/427333910.db2.gz PCTXBCQVIGYNMP-CQSZACIVSA-N 2 2 302.447 2.984 40 0 DFABLP CCc1ccc([C@H]2CN(c3cc[nH+]c(C)n3)[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000257318829 273771121 /nfs/dbraw/zinc/77/11/21/273771121.db2.gz VPOHIHXASNBOEG-GUDVDZBRSA-N 2 2 322.456 2.929 40 0 DFABLP