smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NC(CC[NH+]2CCN(c3ccccc3)CC2)=[NH+]C(C)(C)C)cc1 ZINC000005390516 570437141 /nfs/dbraw/zinc/43/71/41/570437141.db2.gz FGCSHLPDSUNWMG-UHFFFAOYSA-N 2 0 394.563 4.326 40 30 GIEBRP