smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(C)(C)C1CCC([NH2+]CC[NH+](C(C)C)C(C)C)CC1 ZINC000020546756 171244357 /nfs/dbraw/zinc/24/43/57/171244357.db2.gz HKINKFLPXWQAMM-UHFFFAOYSA-N 2 1 296.543 4.690 10 0 CJAEMP