smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2nccc(N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)n2)CC1 ZINC001164903505 721568488 /nfs/dbraw/zinc/56/84/88/721568488.db2.gz BQVYWPIMDBUVBP-UHFFFAOYSA-N 1 0 441.583 3.063 20 10 IGCDRO