smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1nc2ncn(CCNC(=O)c3ccc(S(=O)(=O)F)cc3)c2c(=O)[nH]1 43361957 UOJGEHQFUHMMLV-UHFFFAOYSA-N 380.361 -0.210 70 1 GBIF Nc1nc2ncn(CCNC(=O)c3cccc(S(=O)(=O)F)c3)c2c(=O)[nH]1 43362059 SRUDFAHYMBQMJO-UHFFFAOYSA-N 380.361 -0.210 70 1 GBIF