smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000004757317 570963507 /nfs/dbraw/zinc/96/35/07/570963507.db2.gz VMYOCYNETFFPJQ-UHFFFAOYSA-N 1 2 378.432 4.550 10 5 GJBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000036347645 570629745 /nfs/dbraw/zinc/62/97/45/570629745.db2.gz HRTWLABASAYJCN-JOCHJYFZSA-N 1 2 395.434 4.539 10 5 GJBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000036347645 570629747 /nfs/dbraw/zinc/62/97/47/570629747.db2.gz HRTWLABASAYJCN-JOCHJYFZSA-N 1 2 395.434 4.539 10 5 GJBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000036347644 570629750 /nfs/dbraw/zinc/62/97/50/570629750.db2.gz HRTWLABASAYJCN-QFIPXVFZSA-N 1 2 395.434 4.539 10 5 GJBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000036347644 570629752 /nfs/dbraw/zinc/62/97/52/570629752.db2.gz HRTWLABASAYJCN-QFIPXVFZSA-N 1 2 395.434 4.539 10 5 GJBELO