smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ncn(CC[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]CCn2cnc(C#N)n2)n1 ZINC000804620373 1068025997 /nfs/dbraw/zinc/02/59/97/1068025997.db2.gz NBLRCLLQLFQINB-UHFFFAOYSA-N -2 3 428.310 -1.184 20 30 IAEDHL N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001190676593 1068113155 /nfs/dbraw/zinc/11/31/55/1068113155.db2.gz HTMNOKHDPMZJFT-JOLIMNQDSA-N -2 3 442.399 -2.397 20 30 IAEDHL N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001190676598 1068112874 /nfs/dbraw/zinc/11/28/74/1068112874.db2.gz HTMNOKHDPMZJFT-WECGXBHGSA-N -2 3 442.399 -2.397 20 30 IAEDHL