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([N-]Cc1ccccn1)C(F)F 217606041 169330133 /nfs/dbraw/zinc/33/01/33/169330133.db2.gz MVQQLDVUDSDSEM-UHFFFAOYSA-N -1 3 186.161 0.963 20 70 ACIDHM C[C@H](NC(=O)c1c[n-]nn1)C1CCC1 160206724 344160235 /nfs/dbraw/zinc/16/02/35/344160235.db2.gz IUWNNOSHAIGXDD-LURJTMIESA-N -1 3 194.238 0.723 20 70 ACIDHM C[C@H](NC(=O)c1cnn[n-]1)C1CCC1 160206724 344160236 /nfs/dbraw/zinc/16/02/36/344160236.db2.gz IUWNNOSHAIGXDD-LURJTMIESA-N -1 3 194.238 0.723 20 70 ACIDHM C[C@H](NC(=O)c1cn[n-]n1)C1CCC1 160206724 344160237 /nfs/dbraw/zinc/16/02/37/344160237.db2.gz IUWNNOSHAIGXDD-LURJTMIESA-N -1 3 194.238 0.723 20 70 ACIDHM CC1(NC(=O)c2c[n-]nn2)CCC1 160014594 344156761 /nfs/dbraw/zinc/15/67/61/344156761.db2.gz IJCOZZSPPCAVNI-UHFFFAOYSA-N -1 3 180.211 0.477 20 70 ACIDHM CC1(NC(=O)c2cnn[n-]2)CCC1 160014594 344156763 /nfs/dbraw/zinc/15/67/63/344156763.db2.gz IJCOZZSPPCAVNI-UHFFFAOYSA-N -1 3 180.211 0.477 20 70 ACIDHM CC1(NC(=O)c2cn[n-]n2)CCC1 160014594 344156766 /nfs/dbraw/zinc/15/67/66/344156766.db2.gz IJCOZZSPPCAVNI-UHFFFAOYSA-N -1 3 180.211 0.477 20 70 ACIDHM C[C@@H](NC(=O)c1c[n-]nn1)C1CCC1 160206832 344159959 /nfs/dbraw/zinc/15/99/59/344159959.db2.gz IUWNNOSHAIGXDD-ZCFIWIBFSA-N -1 3 194.238 0.723 20 70 ACIDHM C[C@@H](NC(=O)c1cnn[n-]1)C1CCC1 160206832 344159961 /nfs/dbraw/zinc/15/99/61/344159961.db2.gz IUWNNOSHAIGXDD-ZCFIWIBFSA-N -1 3 194.238 0.723 20 70 ACIDHM C[C@@H](NC(=O)c1cn[n-]n1)C1CCC1 160206832 344159964 /nfs/dbraw/zinc/15/99/64/344159964.db2.gz IUWNNOSHAIGXDD-ZCFIWIBFSA-N -1 3 194.238 0.723 20 70 ACIDHM