smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[N+](C)(C)N 1670596 342956021 /nfs/dbraw/zinc/95/60/21/342956021.db2.gz KPPBVDMLJKLFFG-UHFFFAOYSA-N 1 3 173.324 2.297 40 30 AEEBHO