smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[N+](C)(C)N ZINC000059314569 385046010 /nfs/dbraw/zinc/04/60/10/385046010.db2.gz DWFSJJFSCFUTQV-UHFFFAOYSA-N 1 3 229.432 3.857 50 30 BHEAHO CCCCCCCCCCCC[NH2+]CCCN ZINC000059496006 398074633 /nfs/dbraw/zinc/07/46/33/398074633.db2.gz XMMDVXFQGOEOKH-UHFFFAOYSA-N 1 3 242.451 3.846 50 30 BHEAHO