smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1cccc(CSc2nc(C(F)F)n[nH]2)c1 ZINC000216902118 376168900 /nfs/dbraw/zinc/16/89/00/376168900.db2.gz WGCXCVZBHQSWAO-UHFFFAOYSA-N -1 1 259.256 3.174 40 70 CGIBMM Cc1ccc(CSc2nc(C(F)F)n[nH]2)cc1 ZINC000216902022 376168570 /nfs/dbraw/zinc/16/85/70/376168570.db2.gz OPZDFCRNSLOFMT-UHFFFAOYSA-N -1 1 255.293 3.343 40 70 CGIBMM Fc1ccccc1CSc1nc(C(F)F)n[nH]1 ZINC000216901868 376168580 /nfs/dbraw/zinc/16/85/80/376168580.db2.gz RCEMTIDUQWYBOW-UHFFFAOYSA-N -1 1 259.256 3.174 40 70 CGIBMM Cc1ccccc1CSc1nc(C(F)F)n[nH]1 ZINC000216901969 376168515 /nfs/dbraw/zinc/16/85/15/376168515.db2.gz JDFXDSURLRCFGM-UHFFFAOYSA-N -1 1 255.293 3.343 40 70 CGIBMM Fc1ccc(CSc2nc(C(F)F)n[nH]2)cc1 ZINC000216902068 376168288 /nfs/dbraw/zinc/16/82/88/376168288.db2.gz NVGSQNPPZUMNTM-UHFFFAOYSA-N -1 1 259.256 3.174 40 70 CGIBMM