smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC[N+](C)(C)Cc1ccc(C[N+](C)(C)CC[N+](C)(C)Cc2ccc(CCl)cc2)cc1 ZINC000104196018 717147289 /nfs/dbraw/zinc/14/72/89/717147289.db2.gz IUJADLRCPCOVQR-UHFFFAOYSA-N 4 2 476.173 4.416 40 50 JIGBLP