smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O)c(CN2CCN(S(=O)(=O)N(C)C)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000079189090 553666938 /nfs/dbraw/zinc/66/69/38/553666938.db2.gz XQFOAQWCTWXZON-NSJDZECESA-N 0 0 533.556 -2.277 50 10 biogenic KACARN COc1c(O)c(CN2CCN(S(C)(=O)=O)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000079191670 553668418 /nfs/dbraw/zinc/66/84/18/553668418.db2.gz XGWDDHZGWVTALT-DGOWFPMBSA-N 0 0 504.514 -2.123 50 10 biogenic KACARN COc1c(O)c(CN2CCN(S(C)(=O)=O)CC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O ZINC000170622042 1066207087 /nfs/dbraw/zinc/20/70/87/1066207087.db2.gz XGWDDHZGWVTALT-NGPVWFLWSA-N 0 0 504.514 -2.123 50 10 KACARN COc1c(O)c(CN2CCN(S(C)(=O)=O)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O ZINC000170622043 1066207036 /nfs/dbraw/zinc/20/70/36/1066207036.db2.gz XGWDDHZGWVTALT-OTRUISIASA-N 0 0 504.514 -2.123 50 10 KACARN COc1c(O)c(CN2CCN(S(C)(=O)=O)CC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000170622044 1066207064 /nfs/dbraw/zinc/20/70/64/1066207064.db2.gz XGWDDHZGWVTALT-OAATTZOGSA-N 0 0 504.514 -2.123 50 10 KACARN