smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]NC(=O)c2cccn2C)c1C ZINC000013031486 956909203 /nfs/dbraw/zinc/90/92/03/956909203.db2.gz NFBKMMKNNMTRLM-UHFFFAOYSA-N -2 0 351.384 0.963 50 50 FCGARL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)c1C ZINC000022411889 957157171 /nfs/dbraw/zinc/15/71/71/957157171.db2.gz NXBKNYVHYJKGLD-UHFFFAOYSA-N -3 0 350.356 0.415 50 50 FCGARL COC(=O)N[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000007814568 956883743 /nfs/dbraw/zinc/88/37/43/956883743.db2.gz HTNXVUXEIBRKTM-UHFFFAOYSA-N -2 0 353.150 0.697 50 50 FCGARL