smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2)nc2ccc3ccccc3c12 ZINC000006198954 557693754 /nfs/dbraw/zinc/69/37/54/557693754.db2.gz JXCTWCWJBWNDGC-UHFFFAOYSA-N -1 1 424.525 6.164 10 5 HKBEMM COc1c([O-])cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4 ZINC000013382495 558531130 /nfs/dbraw/zinc/53/11/30/558531130.db2.gz HQWHKELJHUFLGD-UHFFFAOYSA-N -1 1 408.450 5.059 10 5 endogenous,in-man HKBEMM