smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072183383 191072766 /nfs/dbraw/zinc/07/27/66/191072766.db2.gz XBJJKSQXJZYHNK-ZDUSSCGKSA-N 0 3 317.389 4.308 1 5 DIBFHN O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccccc1 ZINC000040974834 183153677 /nfs/dbraw/zinc/15/36/77/183153677.db2.gz ZBKRFVVVGSFJGF-GOSISDBHSA-N 0 3 321.380 4.243 1 5 DIBFHN O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1 ZINC000040974836 183153860 /nfs/dbraw/zinc/15/38/60/183153860.db2.gz ZBKRFVVVGSFJGF-SFHVURJKSA-N 0 3 321.380 4.243 1 5 DIBFHN