smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2O)c(O)c1 ZINC000033896259 368969858 /nfs/dbraw/zinc/96/98/58/368969858.db2.gz CTCGXYRUNWUOOL-NVNXTCNLSA-N -2 2 272.260 3.065 10 30 CGEELL