smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)N[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)OC1 ZINC000029123144 171586101 /nfs/dbraw/zinc/58/61/01/171586101.db2.gz KZSOKXCHBBTHLR-GWCFXTLKSA-N 0 3 295.295 0.474 1 5 CCBFHN NCC(=O)N[C@H]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)OC1 ZINC000029123143 171586271 /nfs/dbraw/zinc/58/62/71/171586271.db2.gz LVZGITQLIVMNBH-GWCFXTLKSA-N 0 3 295.295 0.474 1 5 CCBFHN NCC(=O)N[C@H]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1 ZINC000029123181 171586339 /nfs/dbraw/zinc/58/63/39/171586339.db2.gz LVZGITQLIVMNBH-GXFFZTMASA-N 0 3 295.295 0.474 1 5 CCBFHN