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([O-])c1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])[nH]1 ZINC000031308486 208011650 /nfs/dbraw/zinc/01/16/50/208011650.db2.gz ULKCUTGVHUHOEK-UHFFFAOYSA-N -3 1 364.313 -0.643 10 10 FBCEML O=C([O-])c1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])[n-]1 ZINC000031308486 208011643 /nfs/dbraw/zinc/01/16/43/208011643.db2.gz ULKCUTGVHUHOEK-UHFFFAOYSA-N -4 1 364.313 -0.643 10 10 FBCEML