smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]CCCNCC(=O)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000043073333 563166502 /nfs/dbraw/zinc/16/65/02/563166502.db2.gz JOODTEOCMNYANN-UHFFFAOYSA-N 2 3 491.597 0.068 1 5 JCBFHP