smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cc(Cl)sc1Cl ZINC000031894670 526578155 /nfs/dbraw/zinc/57/81/55/526578155.db2.gz MKTGACBKIGUXLY-CYBMUJFWSA-N 1 2 421.752 5.414 20 0 HKADLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cc(Cl)sc1Cl ZINC000031894675 526490805 /nfs/dbraw/zinc/49/08/05/526490805.db2.gz MKTGACBKIGUXLY-ZDUSSCGKSA-N 1 2 421.752 5.414 20 0 HKADLO Cc1csc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)n1 ZINC000042202836 526358030 /nfs/dbraw/zinc/35/80/30/526358030.db2.gz ZDRFOGUBWKKPRS-UHFFFAOYSA-N 1 2 415.777 5.255 20 0 HKADLO