smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C/c1oc(-c2c(O)ccc3ccccc32)c(-c2c([O-])ccc3ccccc32)c1[N+](=O)[O-] ZINC000001630405 717088509 /nfs/dbraw/zinc/08/85/09/717088509.db2.gz RZTHTFCFHUMAKQ-UHFFFAOYSA-O 0 1 539.568 5.396 50 50 KKGAMN