smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030439 1014376898 /nfs/dbraw/zinc/37/68/98/1014376898.db2.gz JNRYDSWFPIODPT-BZSNNMDCSA-N 2 2 317.433 3.652 20 5 DHBDLP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030439 1014376911 /nfs/dbraw/zinc/37/69/11/1014376911.db2.gz JNRYDSWFPIODPT-BZSNNMDCSA-N 2 2 317.433 3.652 20 5 DHBDLP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644437 1020163810 /nfs/dbraw/zinc/16/38/10/1020163810.db2.gz RCEWKEZYHNIZFD-ZBFHGGJFSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644437 1020163820 /nfs/dbraw/zinc/16/38/20/1020163820.db2.gz RCEWKEZYHNIZFD-ZBFHGGJFSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644437 1020163829 /nfs/dbraw/zinc/16/38/29/1020163829.db2.gz RCEWKEZYHNIZFD-ZBFHGGJFSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644437 1020163835 /nfs/dbraw/zinc/16/38/35/1020163835.db2.gz RCEWKEZYHNIZFD-ZBFHGGJFSA-N 2 2 319.449 3.633 20 5 DHBDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177807054 1020807413 /nfs/dbraw/zinc/80/74/13/1020807413.db2.gz ZCRGFSNCZISZHN-AWEZNQCLSA-N 2 2 322.368 3.631 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594517915 1039826411 /nfs/dbraw/zinc/82/64/11/1039826411.db2.gz DADNVDKZQRKPBK-XIRDDKMYSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594517915 1039826434 /nfs/dbraw/zinc/82/64/34/1039826434.db2.gz DADNVDKZQRKPBK-XIRDDKMYSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594521254 1039829456 /nfs/dbraw/zinc/82/94/56/1039829456.db2.gz SXWCHGMMVMEGJG-QGTPRVQTSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594521254 1039829489 /nfs/dbraw/zinc/82/94/89/1039829489.db2.gz SXWCHGMMVMEGJG-QGTPRVQTSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272409653 130027529 /nfs/dbraw/zinc/02/75/29/130027529.db2.gz FOQPBSMSGHVPKD-ZIAGYGMSSA-N 2 2 314.389 3.567 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272409653 130027530 /nfs/dbraw/zinc/02/75/30/130027530.db2.gz FOQPBSMSGHVPKD-ZIAGYGMSSA-N 2 2 314.389 3.567 20 5 DHBDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000414853828 334127605 /nfs/dbraw/zinc/12/76/05/334127605.db2.gz YGLFYXLNCNMQIU-KRWDZBQOSA-N 2 2 313.401 3.508 20 5 DHBDLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423279557 337709191 /nfs/dbraw/zinc/70/91/91/337709191.db2.gz RMAFDQAWEIWAKK-AWEZNQCLSA-N 2 2 305.422 3.558 20 5 DHBDLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000156217405 525347265 /nfs/dbraw/zinc/34/72/65/525347265.db2.gz SSLGNWQOBSCYSO-ZDUSSCGKSA-N 2 2 324.384 3.755 20 5 DHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000266748672 526108422 /nfs/dbraw/zinc/10/84/22/526108422.db2.gz PLASEFGPNBKUJJ-JKSUJKDBSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000266748672 526108428 /nfs/dbraw/zinc/10/84/28/526108428.db2.gz PLASEFGPNBKUJJ-JKSUJKDBSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000121119412 1014997613 /nfs/dbraw/zinc/99/76/13/1014997613.db2.gz HUNDVAFZWSHFAC-CQSZACIVSA-N 2 2 322.368 3.631 20 5 DHBDLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594517302 1039825165 /nfs/dbraw/zinc/82/51/65/1039825165.db2.gz APNZDCQXXZMHKB-QILLFSRXSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594517302 1039825188 /nfs/dbraw/zinc/82/51/88/1039825188.db2.gz APNZDCQXXZMHKB-QILLFSRXSA-N 2 2 317.433 3.571 20 5 DHBDLP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644435 1020164817 /nfs/dbraw/zinc/16/48/17/1020164817.db2.gz RCEWKEZYHNIZFD-GDBMZVCRSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644435 1020164825 /nfs/dbraw/zinc/16/48/25/1020164825.db2.gz RCEWKEZYHNIZFD-GDBMZVCRSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644435 1020164858 /nfs/dbraw/zinc/16/48/58/1020164858.db2.gz RCEWKEZYHNIZFD-GDBMZVCRSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644435 1020164866 /nfs/dbraw/zinc/16/48/66/1020164866.db2.gz RCEWKEZYHNIZFD-GDBMZVCRSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000414843140 334113208 /nfs/dbraw/zinc/11/32/08/334113208.db2.gz JLOXYGKLBFACGP-SFHVURJKSA-N 2 2 313.401 3.508 20 5 DHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000414850443 334123378 /nfs/dbraw/zinc/12/33/78/334123378.db2.gz SGJQRZINQHYHSE-OAHLLOKOSA-N 2 2 319.430 3.569 20 5 DHBDLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000373521114 336963572 /nfs/dbraw/zinc/96/35/72/336963572.db2.gz KBVWYHGBNXALBV-VJFUWPCTSA-N 2 2 317.433 3.652 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000182660494 337189323 /nfs/dbraw/zinc/18/93/23/337189323.db2.gz GYNVNNDTFWGLKL-OAHLLOKOSA-N 2 2 317.433 3.524 20 5 DHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247244178 1013801622 /nfs/dbraw/zinc/80/16/22/1013801622.db2.gz ZJTSNOLPENJHFE-DOTOQJQBSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247244178 1013801632 /nfs/dbraw/zinc/80/16/32/1013801632.db2.gz ZJTSNOLPENJHFE-DOTOQJQBSA-N 2 2 317.433 3.606 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422917689 1027372269 /nfs/dbraw/zinc/37/22/69/1027372269.db2.gz FNPHOEIDWCXDNV-AFAVFJNCSA-N 2 2 311.385 3.699 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594517912 1039826345 /nfs/dbraw/zinc/82/63/45/1039826345.db2.gz DADNVDKZQRKPBK-BHYGNILZSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594517912 1039826367 /nfs/dbraw/zinc/82/63/67/1039826367.db2.gz DADNVDKZQRKPBK-BHYGNILZSA-N 2 2 317.433 3.571 20 5 DHBDLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000130630443 522843958 /nfs/dbraw/zinc/84/39/58/522843958.db2.gz ZTBSXSJEXYRMET-QGZVFWFLSA-N 2 2 324.384 3.526 20 5 DHBDLP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030443 1014374932 /nfs/dbraw/zinc/37/49/32/1014374932.db2.gz JNRYDSWFPIODPT-OKZBNKHCSA-N 2 2 317.433 3.652 20 5 DHBDLP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030443 1014374945 /nfs/dbraw/zinc/37/49/45/1014374945.db2.gz JNRYDSWFPIODPT-OKZBNKHCSA-N 2 2 317.433 3.652 20 5 DHBDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000152258350 1018303134 /nfs/dbraw/zinc/30/31/34/1018303134.db2.gz VTFDBYRLRAYTSH-CQSZACIVSA-N 2 2 322.368 3.631 20 5 DHBDLP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644438 1020164692 /nfs/dbraw/zinc/16/46/92/1020164692.db2.gz RCEWKEZYHNIZFD-HOCLYGCPSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644438 1020164696 /nfs/dbraw/zinc/16/46/96/1020164696.db2.gz RCEWKEZYHNIZFD-HOCLYGCPSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644438 1020164699 /nfs/dbraw/zinc/16/46/99/1020164699.db2.gz RCEWKEZYHNIZFD-HOCLYGCPSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644438 1020164706 /nfs/dbraw/zinc/16/47/06/1020164706.db2.gz RCEWKEZYHNIZFD-HOCLYGCPSA-N 2 2 319.449 3.633 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594521253 1039828665 /nfs/dbraw/zinc/82/86/65/1039828665.db2.gz SXWCHGMMVMEGJG-JCGIZDLHSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594521253 1039828691 /nfs/dbraw/zinc/82/86/91/1039828691.db2.gz SXWCHGMMVMEGJG-JCGIZDLHSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594521252 1039831526 /nfs/dbraw/zinc/83/15/26/1039831526.db2.gz SXWCHGMMVMEGJG-BMGDILEWSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594521252 1039831555 /nfs/dbraw/zinc/83/15/55/1039831555.db2.gz SXWCHGMMVMEGJG-BMGDILEWSA-N 2 2 317.433 3.571 20 5 DHBDLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030441 1014373179 /nfs/dbraw/zinc/37/31/79/1014373179.db2.gz JNRYDSWFPIODPT-KSZLIROESA-N 2 2 317.433 3.652 20 5 DHBDLP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030441 1014373194 /nfs/dbraw/zinc/37/31/94/1014373194.db2.gz JNRYDSWFPIODPT-KSZLIROESA-N 2 2 317.433 3.652 20 5 DHBDLP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391299 1021110874 /nfs/dbraw/zinc/11/08/74/1021110874.db2.gz GVPKIWFELPTOKJ-CQSZACIVSA-N 2 2 322.368 3.631 20 5 DHBDLP CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423238824 1027459837 /nfs/dbraw/zinc/45/98/37/1027459837.db2.gz JOORDCJSNBRLOM-ZWKOTPCHSA-N 2 2 313.401 3.726 20 5 DHBDLP CCC[C@H]([NH2+]C[C@@H](CC)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000360054399 1031259220 /nfs/dbraw/zinc/25/92/20/1031259220.db2.gz MRUBUMADUMXVDI-AEFFLSMTSA-N 2 2 319.449 3.900 20 5 DHBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594517303 1039822969 /nfs/dbraw/zinc/82/29/69/1039822969.db2.gz APNZDCQXXZMHKB-YXJHDRRASA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594517303 1039822983 /nfs/dbraw/zinc/82/29/83/1039822983.db2.gz APNZDCQXXZMHKB-YXJHDRRASA-N 2 2 317.433 3.571 20 5 DHBDLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000163840693 132124853 /nfs/dbraw/zinc/12/48/53/132124853.db2.gz ORRPIBVTRMCZAS-MRXNPFEDSA-N 2 2 314.389 3.533 20 5 DHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000266516137 333974201 /nfs/dbraw/zinc/97/42/01/333974201.db2.gz GQVXGZNBQFIFSI-HNNXBMFYSA-N 2 2 317.433 3.606 20 5 DHBDLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000157461758 341638716 /nfs/dbraw/zinc/63/87/16/341638716.db2.gz ZONNDZQBHUFDBZ-UHFFFAOYSA-N 2 2 324.384 3.576 20 5 DHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247244189 1013800901 /nfs/dbraw/zinc/80/09/01/1013800901.db2.gz ZJTSNOLPENJHFE-NVXWUHKLSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247244189 1013800905 /nfs/dbraw/zinc/80/09/05/1013800905.db2.gz ZJTSNOLPENJHFE-NVXWUHKLSA-N 2 2 317.433 3.606 20 5 DHBDLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594517304 1039822682 /nfs/dbraw/zinc/82/26/82/1039822682.db2.gz APNZDCQXXZMHKB-ZVZYQTTQSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1c([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594517304 1039822707 /nfs/dbraw/zinc/82/27/07/1039822707.db2.gz APNZDCQXXZMHKB-ZVZYQTTQSA-N 2 2 317.433 3.571 20 5 DHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414849512 334121857 /nfs/dbraw/zinc/12/18/57/334121857.db2.gz RKIPWUSFDQPNMZ-GOSISDBHSA-N 2 2 313.401 3.508 20 5 DHBDLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000130630217 522602332 /nfs/dbraw/zinc/60/23/32/522602332.db2.gz ZTBSXSJEXYRMET-KRWDZBQOSA-N 2 2 324.384 3.526 20 5 DHBDLP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644436 1020165175 /nfs/dbraw/zinc/16/51/75/1020165175.db2.gz RCEWKEZYHNIZFD-GOEBONIOSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644436 1020165182 /nfs/dbraw/zinc/16/51/82/1020165182.db2.gz RCEWKEZYHNIZFD-GOEBONIOSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644436 1020165188 /nfs/dbraw/zinc/16/51/88/1020165188.db2.gz RCEWKEZYHNIZFD-GOEBONIOSA-N 2 2 319.449 3.633 20 5 DHBDLP CC(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644436 1020165196 /nfs/dbraw/zinc/16/51/96/1020165196.db2.gz RCEWKEZYHNIZFD-GOEBONIOSA-N 2 2 319.449 3.633 20 5 DHBDLP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391298 1021111399 /nfs/dbraw/zinc/11/13/99/1021111399.db2.gz GVPKIWFELPTOKJ-AWEZNQCLSA-N 2 2 322.368 3.631 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000368617512 1028385797 /nfs/dbraw/zinc/38/57/97/1028385797.db2.gz ZNWJBYBWFIGEIR-HNNXBMFYSA-N 2 2 317.433 3.524 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368617512 1028385813 /nfs/dbraw/zinc/38/58/13/1028385813.db2.gz ZNWJBYBWFIGEIR-HNNXBMFYSA-N 2 2 317.433 3.524 20 5 DHBDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596652806 1040523627 /nfs/dbraw/zinc/52/36/27/1040523627.db2.gz ICMMEWZOFFMPGC-NEPJUHHUSA-N 2 2 319.430 3.582 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594517913 1040883209 /nfs/dbraw/zinc/88/32/09/1040883209.db2.gz DADNVDKZQRKPBK-UAGQMJEPSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594517913 1040883223 /nfs/dbraw/zinc/88/32/23/1040883223.db2.gz DADNVDKZQRKPBK-UAGQMJEPSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1cccn2c(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)c[nH+]c12 ZINC000080347034 341273004 /nfs/dbraw/zinc/27/30/04/341273004.db2.gz BAFYKTFTSYOPIR-UHFFFAOYSA-N 2 2 324.384 3.576 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422917692 1027373122 /nfs/dbraw/zinc/37/31/22/1027373122.db2.gz FNPHOEIDWCXDNV-ZLIFDBKOSA-N 2 2 311.385 3.699 20 5 DHBDLP Cc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000373519026 1029068798 /nfs/dbraw/zinc/06/87/98/1029068798.db2.gz DUVNTNKLZRZOSL-ODIFPOPNSA-N 2 2 317.433 3.571 20 5 DHBDLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000361480845 1031944797 /nfs/dbraw/zinc/94/47/97/1031944797.db2.gz GYZIMAUJMJVFON-CQSZACIVSA-N 2 2 322.368 3.631 20 5 DHBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432813179 338168690 /nfs/dbraw/zinc/16/86/90/338168690.db2.gz LTFFKFCHFKWQJE-INIZCTEOSA-N 2 2 319.449 3.634 20 5 DHBDLP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432813179 338168691 /nfs/dbraw/zinc/16/86/91/338168691.db2.gz LTFFKFCHFKWQJE-INIZCTEOSA-N 2 2 319.449 3.634 20 5 DHBDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000162906239 525434869 /nfs/dbraw/zinc/43/48/69/525434869.db2.gz FLSLFZMDLKTSIT-CQSZACIVSA-N 2 2 314.389 3.533 20 5 DHBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cc[nH+]cc1C ZINC000468621902 339267319 /nfs/dbraw/zinc/26/73/19/339267319.db2.gz RXPNYPGLGJYKDK-GXDHUFHOSA-N 2 2 311.385 3.534 20 5 DHBDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000173348901 337134809 /nfs/dbraw/zinc/13/48/09/337134809.db2.gz MJMGNSMJBOYZCZ-AWEZNQCLSA-N 2 2 322.368 3.631 20 5 DHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157469494 526083738 /nfs/dbraw/zinc/08/37/38/526083738.db2.gz ZJTSNOLPENJHFE-WBVHZDCISA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157469494 526083745 /nfs/dbraw/zinc/08/37/45/526083745.db2.gz ZJTSNOLPENJHFE-WBVHZDCISA-N 2 2 317.433 3.606 20 5 DHBDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596652809 1040522971 /nfs/dbraw/zinc/52/29/71/1040522971.db2.gz ICMMEWZOFFMPGC-VXGBXAGGSA-N 2 2 319.430 3.582 20 5 DHBDLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227078 333095367 /nfs/dbraw/zinc/09/53/67/333095367.db2.gz UQDYAWSIKZXXHT-DLBZAZTESA-N 2 2 305.422 3.510 20 5 DHBDLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227078 333095369 /nfs/dbraw/zinc/09/53/69/333095369.db2.gz UQDYAWSIKZXXHT-DLBZAZTESA-N 2 2 305.422 3.510 20 5 DHBDLP Cc1cc(NCCc2cc[nH+]cc2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302075671 336347199 /nfs/dbraw/zinc/34/71/99/336347199.db2.gz IWIDHMMCVQWVOV-UHFFFAOYSA-N 2 2 322.368 3.809 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000530476526 1029859849 /nfs/dbraw/zinc/85/98/49/1029859849.db2.gz RXZVAWLLLUJHIQ-UQPPLGOBSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594517301 1039826219 /nfs/dbraw/zinc/82/62/19/1039826219.db2.gz APNZDCQXXZMHKB-LESCRADOSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594517301 1039826238 /nfs/dbraw/zinc/82/62/38/1039826238.db2.gz APNZDCQXXZMHKB-LESCRADOSA-N 2 2 317.433 3.571 20 5 DHBDLP CCC1([NH+](C)C)CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000602966436 1041332592 /nfs/dbraw/zinc/33/25/92/1041332592.db2.gz FMTGZSNESFFYHS-OAHLLOKOSA-N 2 2 319.449 3.770 20 5 DHBDLP Cc1c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000376593960 337037576 /nfs/dbraw/zinc/03/75/76/337037576.db2.gz BTLQOEZMNCTJBX-FHERZECASA-N 2 2 317.433 3.571 20 5 DHBDLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000173354136 525443169 /nfs/dbraw/zinc/44/31/69/525443169.db2.gz SPXIGXOYZSUKOK-CYBMUJFWSA-N 2 2 324.384 3.755 20 5 DHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157469345 526078696 /nfs/dbraw/zinc/07/86/96/526078696.db2.gz ZJTSNOLPENJHFE-RDJZCZTQSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157469345 526078705 /nfs/dbraw/zinc/07/87/05/526078705.db2.gz ZJTSNOLPENJHFE-RDJZCZTQSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177807066 1020807361 /nfs/dbraw/zinc/80/73/61/1020807361.db2.gz ZCRGFSNCZISZHN-CQSZACIVSA-N 2 2 322.368 3.631 20 5 DHBDLP CCC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000360054401 1031259071 /nfs/dbraw/zinc/25/90/71/1031259071.db2.gz MRUBUMADUMXVDI-FUHWJXTLSA-N 2 2 319.449 3.900 20 5 DHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001180098011 1035597374 /nfs/dbraw/zinc/59/73/74/1035597374.db2.gz JAGFLMJGWKYIBQ-MRXNPFEDSA-N 2 2 319.449 3.518 20 5 DHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC001180098011 1035597377 /nfs/dbraw/zinc/59/73/77/1035597377.db2.gz JAGFLMJGWKYIBQ-MRXNPFEDSA-N 2 2 319.449 3.518 20 5 DHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC001180098011 1035597380 /nfs/dbraw/zinc/59/73/80/1035597380.db2.gz JAGFLMJGWKYIBQ-MRXNPFEDSA-N 2 2 319.449 3.518 20 5 DHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC001180098011 1035597383 /nfs/dbraw/zinc/59/73/83/1035597383.db2.gz JAGFLMJGWKYIBQ-MRXNPFEDSA-N 2 2 319.449 3.518 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272409649 130027413 /nfs/dbraw/zinc/02/74/13/130027413.db2.gz FOQPBSMSGHVPKD-UONOGXRCSA-N 2 2 314.389 3.567 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272409649 130027417 /nfs/dbraw/zinc/02/74/17/130027417.db2.gz FOQPBSMSGHVPKD-UONOGXRCSA-N 2 2 314.389 3.567 20 5 DHBDLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000173348916 337134729 /nfs/dbraw/zinc/13/47/29/337134729.db2.gz MJMGNSMJBOYZCZ-CQSZACIVSA-N 2 2 322.368 3.631 20 5 DHBDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423235778 337706320 /nfs/dbraw/zinc/70/63/20/337706320.db2.gz BDWHAZUCVTVNDA-GFCCVEGCSA-N 2 2 319.430 3.583 20 5 DHBDLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423264584 337708158 /nfs/dbraw/zinc/70/81/58/337708158.db2.gz AGFMAORVZUKDQL-AWEZNQCLSA-N 2 2 305.422 3.558 20 5 DHBDLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000156217538 525442968 /nfs/dbraw/zinc/44/29/68/525442968.db2.gz SSLGNWQOBSCYSO-CYBMUJFWSA-N 2 2 324.384 3.755 20 5 DHBDLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000152258261 1018304097 /nfs/dbraw/zinc/30/40/97/1018304097.db2.gz VTFDBYRLRAYTSH-AWEZNQCLSA-N 2 2 322.368 3.631 20 5 DHBDLP CCC[C@@H]([NH2+]C[C@@H](CC)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000360054403 1031258382 /nfs/dbraw/zinc/25/83/82/1031258382.db2.gz MRUBUMADUMXVDI-SJLPKXTDSA-N 2 2 319.449 3.900 20 5 DHBDLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227081 333095382 /nfs/dbraw/zinc/09/53/82/333095382.db2.gz UQDYAWSIKZXXHT-IAGOWNOFSA-N 2 2 305.422 3.510 20 5 DHBDLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227081 333095383 /nfs/dbraw/zinc/09/53/83/333095383.db2.gz UQDYAWSIKZXXHT-IAGOWNOFSA-N 2 2 305.422 3.510 20 5 DHBDLP CC(C)c1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000414830919 334110504 /nfs/dbraw/zinc/11/05/04/334110504.db2.gz MNIYYFLOEIYQRT-QGZVFWFLSA-N 2 2 313.401 3.508 20 5 DHBDLP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000180651031 337176970 /nfs/dbraw/zinc/17/69/70/337176970.db2.gz DYWDWMNGZFEHBT-AWEZNQCLSA-N 2 2 322.368 3.631 20 5 DHBDLP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000321502869 337632086 /nfs/dbraw/zinc/63/20/86/337632086.db2.gz UYLNCYNMYYSYSG-QGZVFWFLSA-N 2 2 316.405 3.703 20 5 DHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000266748666 526106979 /nfs/dbraw/zinc/10/69/79/526106979.db2.gz PLASEFGPNBKUJJ-HOTGVXAUSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000266748666 526106981 /nfs/dbraw/zinc/10/69/81/526106981.db2.gz PLASEFGPNBKUJJ-HOTGVXAUSA-N 2 2 317.433 3.606 20 5 DHBDLP c1cn(CC[NH2+]Cc2c3ccccc3cc3ccccc32)c[nH+]1 ZINC000060831208 1041118304 /nfs/dbraw/zinc/11/83/04/1041118304.db2.gz KZFWEQWNQMFCOF-UHFFFAOYSA-N 2 2 301.393 3.979 20 5 DHBDLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227084 333095360 /nfs/dbraw/zinc/09/53/60/333095360.db2.gz UQDYAWSIKZXXHT-IRXDYDNUSA-N 2 2 305.422 3.510 20 5 DHBDLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227084 333095361 /nfs/dbraw/zinc/09/53/61/333095361.db2.gz UQDYAWSIKZXXHT-IRXDYDNUSA-N 2 2 305.422 3.510 20 5 DHBDLP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000321501617 337631416 /nfs/dbraw/zinc/63/14/16/337631416.db2.gz UYLNCYNMYYSYSG-KRWDZBQOSA-N 2 2 316.405 3.703 20 5 DHBDLP CCC[C@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000360054405 1031259271 /nfs/dbraw/zinc/25/92/71/1031259271.db2.gz MRUBUMADUMXVDI-WMZOPIPTSA-N 2 2 319.449 3.900 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272409645 130028013 /nfs/dbraw/zinc/02/80/13/130028013.db2.gz FOQPBSMSGHVPKD-KGLIPLIRSA-N 2 2 314.389 3.567 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272409645 130028014 /nfs/dbraw/zinc/02/80/14/130028014.db2.gz FOQPBSMSGHVPKD-KGLIPLIRSA-N 2 2 314.389 3.567 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000373519028 1029070434 /nfs/dbraw/zinc/07/04/34/1029070434.db2.gz DUVNTNKLZRZOSL-OOHWJJMZSA-N 2 2 317.433 3.571 20 5 DHBDLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017633 1031401093 /nfs/dbraw/zinc/40/10/93/1031401093.db2.gz DCSLAFJZEFICER-LLVKDONJSA-N 2 2 323.412 3.694 20 5 DHBDLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000163840588 132125047 /nfs/dbraw/zinc/12/50/47/132125047.db2.gz ORRPIBVTRMCZAS-INIZCTEOSA-N 2 2 314.389 3.533 20 5 DHBDLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227087 333095299 /nfs/dbraw/zinc/09/52/99/333095299.db2.gz UQDYAWSIKZXXHT-SJORKVTESA-N 2 2 305.422 3.510 20 5 DHBDLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227087 333095301 /nfs/dbraw/zinc/09/53/01/333095301.db2.gz UQDYAWSIKZXXHT-SJORKVTESA-N 2 2 305.422 3.510 20 5 DHBDLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000343984204 335205478 /nfs/dbraw/zinc/20/54/78/335205478.db2.gz ULRHTUGPKKHANN-AWEZNQCLSA-N 2 2 322.368 3.631 20 5 DHBDLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000373521116 336963567 /nfs/dbraw/zinc/96/35/67/336963567.db2.gz KBVWYHGBNXALBV-VMWRSERWSA-N 2 2 317.433 3.652 20 5 DHBDLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423264585 337708171 /nfs/dbraw/zinc/70/81/71/337708171.db2.gz AGFMAORVZUKDQL-CQSZACIVSA-N 2 2 305.422 3.558 20 5 DHBDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000173379301 340363823 /nfs/dbraw/zinc/36/38/23/340363823.db2.gz UHPAHGAUJCYBAX-CQSZACIVSA-N 2 2 314.389 3.533 20 5 DHBDLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000361480844 1031945915 /nfs/dbraw/zinc/94/59/15/1031945915.db2.gz GYZIMAUJMJVFON-AWEZNQCLSA-N 2 2 322.368 3.631 20 5 DHBDLP CCC1([NH+](C)C)CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877689466 1033413295 /nfs/dbraw/zinc/41/32/95/1033413295.db2.gz GZLMEUUHUXFUSG-UHFFFAOYSA-N 2 2 319.449 3.518 20 5 DHBDLP Nc1ccc2cc3ccc(Nc4ccc(N)[nH+]c4)cc3[nH+]c2c1 ZINC001201292431 1037590090 /nfs/dbraw/zinc/59/00/90/1037590090.db2.gz OECLMBMJDHTWOF-UHFFFAOYSA-N 2 2 301.353 3.691 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594521255 1039830518 /nfs/dbraw/zinc/83/05/18/1039830518.db2.gz SXWCHGMMVMEGJG-WBAXXEDZSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594521255 1039830544 /nfs/dbraw/zinc/83/05/44/1039830544.db2.gz SXWCHGMMVMEGJG-WBAXXEDZSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594517914 1040882810 /nfs/dbraw/zinc/88/28/10/1040882810.db2.gz DADNVDKZQRKPBK-USXIJHARSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594517914 1040882821 /nfs/dbraw/zinc/88/28/21/1040882821.db2.gz DADNVDKZQRKPBK-USXIJHARSA-N 2 2 317.433 3.571 20 5 DHBDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000414850441 334123293 /nfs/dbraw/zinc/12/32/93/334123293.db2.gz SGJQRZINQHYHSE-HNNXBMFYSA-N 2 2 319.430 3.569 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000182660508 337189313 /nfs/dbraw/zinc/18/93/13/337189313.db2.gz GYNVNNDTFWGLKL-HNNXBMFYSA-N 2 2 317.433 3.524 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272339037 334033304 /nfs/dbraw/zinc/03/33/04/334033304.db2.gz OFILBCXUOHWQDT-CYBMUJFWSA-N 2 2 314.389 3.567 20 5 DHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000414843138 334113089 /nfs/dbraw/zinc/11/30/89/334113089.db2.gz JLOXYGKLBFACGP-GOSISDBHSA-N 2 2 313.401 3.508 20 5 DHBDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414849515 334121806 /nfs/dbraw/zinc/12/18/06/334121806.db2.gz RKIPWUSFDQPNMZ-SFHVURJKSA-N 2 2 313.401 3.508 20 5 DHBDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000173379288 340363832 /nfs/dbraw/zinc/36/38/32/340363832.db2.gz UHPAHGAUJCYBAX-AWEZNQCLSA-N 2 2 314.389 3.533 20 5 DHBDLP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000121119243 1014996974 /nfs/dbraw/zinc/99/69/74/1014996974.db2.gz HUNDVAFZWSHFAC-AWEZNQCLSA-N 2 2 322.368 3.631 20 5 DHBDLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423238822 1027459039 /nfs/dbraw/zinc/45/90/39/1027459039.db2.gz JOORDCJSNBRLOM-QZTJIDSGSA-N 2 2 313.401 3.726 20 5 DHBDLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017634 1031401394 /nfs/dbraw/zinc/40/13/94/1031401394.db2.gz DCSLAFJZEFICER-NSHDSACASA-N 2 2 323.412 3.694 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473588 1034343440 /nfs/dbraw/zinc/34/34/40/1034343440.db2.gz JPWMWFCQNNXYJD-HNNXBMFYSA-N 2 2 317.433 3.524 20 5 DHBDLP CC(C)c1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000414830918 334110530 /nfs/dbraw/zinc/11/05/30/334110530.db2.gz MNIYYFLOEIYQRT-KRWDZBQOSA-N 2 2 313.401 3.508 20 5 DHBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432813181 338168718 /nfs/dbraw/zinc/16/87/18/338168718.db2.gz LTFFKFCHFKWQJE-MRXNPFEDSA-N 2 2 319.449 3.634 20 5 DHBDLP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432813181 338168719 /nfs/dbraw/zinc/16/87/19/338168719.db2.gz LTFFKFCHFKWQJE-MRXNPFEDSA-N 2 2 319.449 3.634 20 5 DHBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cc[nH+]cc1C ZINC000468621903 339267237 /nfs/dbraw/zinc/26/72/37/339267237.db2.gz RXPNYPGLGJYKDK-UVTDQMKNSA-N 2 2 311.385 3.534 20 5 DHBDLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030445 1014373909 /nfs/dbraw/zinc/37/39/09/1014373909.db2.gz JNRYDSWFPIODPT-RCCFBDPRSA-N 2 2 317.433 3.652 20 5 DHBDLP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030445 1014373915 /nfs/dbraw/zinc/37/39/15/1014373915.db2.gz JNRYDSWFPIODPT-RCCFBDPRSA-N 2 2 317.433 3.652 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473589 1034344170 /nfs/dbraw/zinc/34/41/70/1034344170.db2.gz JPWMWFCQNNXYJD-OAHLLOKOSA-N 2 2 317.433 3.524 20 5 DHBDLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000343984205 335205414 /nfs/dbraw/zinc/20/54/14/335205414.db2.gz ULRHTUGPKKHANN-CQSZACIVSA-N 2 2 322.368 3.631 20 5 DHBDLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000179834995 337172231 /nfs/dbraw/zinc/17/22/31/337172231.db2.gz KVZMUTYZFCDXQM-UHFFFAOYSA-N 2 2 319.449 3.681 20 5 DHBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000125246143 1020281562 /nfs/dbraw/zinc/28/15/62/1020281562.db2.gz TZCFDCHIRLHNFH-UHFFFAOYSA-N 2 2 319.449 3.634 20 5 DHBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000125246143 1020281575 /nfs/dbraw/zinc/28/15/75/1020281575.db2.gz TZCFDCHIRLHNFH-UHFFFAOYSA-N 2 2 319.449 3.634 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272409641 130027167 /nfs/dbraw/zinc/02/71/67/130027167.db2.gz FOQPBSMSGHVPKD-KBPBESRZSA-N 2 2 314.389 3.567 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272409641 130027168 /nfs/dbraw/zinc/02/71/68/130027168.db2.gz FOQPBSMSGHVPKD-KBPBESRZSA-N 2 2 314.389 3.567 20 5 DHBDLP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000180651051 337176951 /nfs/dbraw/zinc/17/69/51/337176951.db2.gz DYWDWMNGZFEHBT-CQSZACIVSA-N 2 2 322.368 3.631 20 5 DHBDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596652807 1036966843 /nfs/dbraw/zinc/96/68/43/1036966843.db2.gz ICMMEWZOFFMPGC-NWDGAFQWSA-N 2 2 319.430 3.582 20 5 DHBDLP CC[N+](C)(C)Cc1ccccc1NCCc1cn2ccccc2[nH+]1 ZINC001169003370 1022210846 /nfs/dbraw/zinc/21/08/46/1022210846.db2.gz DELGAIRSKIPIPU-UHFFFAOYSA-N 2 2 323.464 3.585 20 5 DHBDLP CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423238823 1027459559 /nfs/dbraw/zinc/45/95/59/1027459559.db2.gz JOORDCJSNBRLOM-ROUUACIJSA-N 2 2 313.401 3.726 20 5 DHBDLP C[C@@H](Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000413169730 333834793 /nfs/dbraw/zinc/83/47/93/333834793.db2.gz YLQSAFQIAPXVRF-GFCCVEGCSA-N 2 2 316.405 3.531 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422917690 337691290 /nfs/dbraw/zinc/69/12/90/337691290.db2.gz FNPHOEIDWCXDNV-JCURWCKSSA-N 2 2 311.385 3.699 20 5 DHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000266748664 526119643 /nfs/dbraw/zinc/11/96/43/526119643.db2.gz PLASEFGPNBKUJJ-CVEARBPZSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000266748664 526119651 /nfs/dbraw/zinc/11/96/51/526119651.db2.gz PLASEFGPNBKUJJ-CVEARBPZSA-N 2 2 317.433 3.606 20 5 DHBDLP CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423238821 1027459503 /nfs/dbraw/zinc/45/95/03/1027459503.db2.gz JOORDCJSNBRLOM-MSOLQXFVSA-N 2 2 313.401 3.726 20 5 DHBDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596652808 1040524700 /nfs/dbraw/zinc/52/47/00/1040524700.db2.gz ICMMEWZOFFMPGC-RYUDHWBXSA-N 2 2 319.430 3.582 20 5 DHBDLP Cc1ccc(CCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000430119271 338097741 /nfs/dbraw/zinc/09/77/41/338097741.db2.gz IKBCLGPAXMDFOS-UHFFFAOYSA-N 2 2 313.401 3.756 20 5 DHBDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000162906139 525336008 /nfs/dbraw/zinc/33/60/08/525336008.db2.gz FLSLFZMDLKTSIT-AWEZNQCLSA-N 2 2 314.389 3.533 20 5 DHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000266748669 526118210 /nfs/dbraw/zinc/11/82/10/526118210.db2.gz PLASEFGPNBKUJJ-HZPDHXFCSA-N 2 2 317.433 3.606 20 5 DHBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000266748669 526118216 /nfs/dbraw/zinc/11/82/16/526118216.db2.gz PLASEFGPNBKUJJ-HZPDHXFCSA-N 2 2 317.433 3.606 20 5 DHBDLP CCC1([NH+](C)C)CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000602966435 1041332080 /nfs/dbraw/zinc/33/20/80/1041332080.db2.gz FMTGZSNESFFYHS-HNNXBMFYSA-N 2 2 319.449 3.770 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272339040 334033480 /nfs/dbraw/zinc/03/34/80/334033480.db2.gz OFILBCXUOHWQDT-ZDUSSCGKSA-N 2 2 314.389 3.567 20 5 DHBDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000414853831 334127651 /nfs/dbraw/zinc/12/76/51/334127651.db2.gz YGLFYXLNCNMQIU-QGZVFWFLSA-N 2 2 313.401 3.508 20 5 DHBDLP CC(C)c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000343619820 335182089 /nfs/dbraw/zinc/18/20/89/335182089.db2.gz KIWUFOBMOIQDAG-UHFFFAOYSA-N 2 2 319.449 3.636 20 5 DHBDLP CC(C)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000343619820 335182090 /nfs/dbraw/zinc/18/20/90/335182090.db2.gz KIWUFOBMOIQDAG-UHFFFAOYSA-N 2 2 319.449 3.636 20 5 DHBDLP Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422917691 337691204 /nfs/dbraw/zinc/69/12/04/337691204.db2.gz FNPHOEIDWCXDNV-VUCTXSBTSA-N 2 2 311.385 3.699 20 5 DHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001180098010 1035598442 /nfs/dbraw/zinc/59/84/42/1035598442.db2.gz JAGFLMJGWKYIBQ-INIZCTEOSA-N 2 2 319.449 3.518 20 5 DHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC001180098010 1035598449 /nfs/dbraw/zinc/59/84/49/1035598449.db2.gz JAGFLMJGWKYIBQ-INIZCTEOSA-N 2 2 319.449 3.518 20 5 DHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC001180098010 1035598453 /nfs/dbraw/zinc/59/84/53/1035598453.db2.gz JAGFLMJGWKYIBQ-INIZCTEOSA-N 2 2 319.449 3.518 20 5 DHBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC001180098010 1035598456 /nfs/dbraw/zinc/59/84/56/1035598456.db2.gz JAGFLMJGWKYIBQ-INIZCTEOSA-N 2 2 319.449 3.518 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000530476525 331490964 /nfs/dbraw/zinc/49/09/64/331490964.db2.gz RXZVAWLLLUJHIQ-HPUBIQBYSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000376593961 337037563 /nfs/dbraw/zinc/03/75/63/337037563.db2.gz BTLQOEZMNCTJBX-QQFBHYJXSA-N 2 2 317.433 3.571 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000368617515 526087796 /nfs/dbraw/zinc/08/77/96/526087796.db2.gz ZNWJBYBWFIGEIR-OAHLLOKOSA-N 2 2 317.433 3.524 20 5 DHBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368617515 526087803 /nfs/dbraw/zinc/08/78/03/526087803.db2.gz ZNWJBYBWFIGEIR-OAHLLOKOSA-N 2 2 317.433 3.524 20 5 DHBDLP