smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c1Cl ZINC000015015869 453552085 /nfs/dbraw/zinc/55/20/85/453552085.db2.gz AGSLIKANJLXBSS-QGMBQPNBSA-N -2 1 338.758 3.311 40 30 EGEBML