smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc(COP(=O)([O-])[O-])c(C=C2SC(=S)[N-]C2=O)c1O ZINC000001860836 204021069 /nfs/dbraw/zinc/02/10/69/204021069.db2.gz WJDPAGLWZIPYMX-WAPJZHGLSA-N -3 1 362.325 1.194 1 10 FDCFML O=C([O-])c1cc(O)c(O)c(-c2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)o2)c1 ZINC000040974847 208279202 /nfs/dbraw/zinc/27/92/02/208279202.db2.gz GXGHOWIHLLQXIK-UHFFFAOYSA-N -2 1 374.330 1.811 1 10 FDCFML O=C([O-])c1cc(O)c(O)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)o2)c1 ZINC000040974847 208279208 /nfs/dbraw/zinc/27/92/08/208279208.db2.gz GXGHOWIHLLQXIK-UHFFFAOYSA-N -2 1 374.330 1.811 1 10 FDCFML O=C([O-])c1cc(O)c(O)c(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)c1 ZINC000040974847 208279215 /nfs/dbraw/zinc/27/92/15/208279215.db2.gz GXGHOWIHLLQXIK-UHFFFAOYSA-N -2 1 374.330 1.811 1 10 FDCFML