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)c1O ZINC000216758303 563941437 /nfs/dbraw/zinc/94/14/37/563941437.db2.gz LWCDLNJRODMDCL-UHFFFAOYSA-N 0 2 322.320 4.204 50 70 DIIALN