smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(SCC[NH+]2CCCCCC2)nnc1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000015001063 519235737 /nfs/dbraw/zinc/23/57/37/519235737.db2.gz DIKUPOILDLLFOO-UHFFFAOYSA-N 2 1 475.653 5.090 50 30 JKEAMP