smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1NC(=O)c1cc2ccccc2c(N=O)c1[O-] ZINC000216758303 563941434 /nfs/dbraw/zinc/94/14/34/563941434.db2.gz LWCDLNJRODMDCL-UHFFFAOYSA-N -1 0 322.320 4.204 50 70 DIIARM