smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2cccc(N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)n2)CC1 ZINC001164905289 721568545 /nfs/dbraw/zinc/56/85/45/721568545.db2.gz GCWCBUYGINZOOW-UHFFFAOYSA-N 1 1 440.595 3.668 20 10 IHCDMO