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)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(N)c([N+](=O)[O-])c1 ZINC000263089679 243347067 /nfs/dbraw/zinc/34/70/67/243347067.db2.gz UEJBARLXEWGRDP-JTQLQIEISA-N -1 0 357.344 -0.191 10 5 FBBERM Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(N)c([N+](=O)[O-])c1 ZINC000263089682 243347212 /nfs/dbraw/zinc/34/72/12/243347212.db2.gz UEJBARLXEWGRDP-SNVBAGLBSA-N -1 0 357.344 -0.191 10 5 FBBERM NC(=O)c1ccc(CN2Cc3n[nH]c(=O)n3C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263098204 243346941 /nfs/dbraw/zinc/34/69/41/243346941.db2.gz WBWBVVSJTKLPJU-JTQLQIEISA-N -1 0 362.302 -0.953 10 5 FBBERM NC(=O)c1ccc(CN2Cc3n[nH]c(=O)n3C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263098211 243347415 /nfs/dbraw/zinc/34/74/15/243347415.db2.gz WBWBVVSJTKLPJU-SNVBAGLBSA-N -1 0 362.302 -0.953 10 5 FBBERM CO[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000263165741 243346360 /nfs/dbraw/zinc/34/63/60/243346360.db2.gz ZPOYYUSEQGBCRO-LLVKDONJSA-N -1 0 353.287 -0.464 10 5 FBBERM CO[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000263165746 243345490 /nfs/dbraw/zinc/34/54/90/243345490.db2.gz ZPOYYUSEQGBCRO-NSHDSACASA-N -1 0 353.287 -0.464 10 5 FBBERM