smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=[NH+]\OCC[NH3+])c1ccc(Nc2c3c(Cl)coc3nc3ccccc32)cc1 ZINC000072109227 205305355 /nfs/dbraw/zinc/30/53/55/205305355.db2.gz SGHMFOPFSUYWJH-LGJNPRDNSA-N 2 2 394.862 5.077 1 30 GKEFLP CCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC[NH+](C)C ZINC000103233689 717146201 /nfs/dbraw/zinc/14/62/01/717146201.db2.gz IZCQJEWSWIIGBE-UHFFFAOYSA-N 2 2 397.756 7.666 1 30 GKEFLP