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=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000408853680 570055976 /nfs/dbraw/zinc/05/59/76/570055976.db2.gz WOQZGDZJRZCULA-CIAFOILYSA-N -2 2 487.468 3.465 40 10 JGCBLL Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)o1 ZINC000009259677 525665116 /nfs/dbraw/zinc/66/51/16/525665116.db2.gz DPIJDJUUDBSXKS-WQRHYEAKSA-N -2 2 460.398 3.318 40 10 JGCBLL Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000408849553 570055175 /nfs/dbraw/zinc/05/51/75/570055175.db2.gz XGCPOBOUYVGIPU-UDWIEESQSA-N -2 2 487.468 3.465 40 10 JGCBLL Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000408851544 570055528 /nfs/dbraw/zinc/05/55/28/570055528.db2.gz LAKVTHQEEKQXLM-UDWIEESQSA-N -2 2 473.441 3.157 40 10 JGCBLL