smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O ZINC000013477052 570982117 /nfs/dbraw/zinc/98/21/17/570982117.db2.gz YSSLCXQBSAQDQH-UHFFFAOYSA-N 1 0 385.384 -0.211 40 5 GBBBRO