smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH2+]c1ccc(Nc2ccc([NH2+]C(C)C)cc2)cc1 ZINC000005498921 170104627 /nfs/dbraw/zinc/10/46/27/170104627.db2.gz VDPQCTCYTUTBQU-UHFFFAOYSA-N 2 2 283.419 5.071 40 10 CKCBLP