smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C#Cc1cc(CN2CCN(C(=O)c3cc4ccccc4n3Cc3ccncc3)[C@@H](C)C2)cc(S(=O)(=O)F)c1 2088596055 BHYGHPBZZFBTMM-NRFANRHFSA-N 530.625 4.071 70 20 KIID O=C(OCc1ccccc1)[C@H](Cc1ccc(O)cc1)N(OS(=O)(=O)C(F)(F)F)C(=O)OCc1ccccc1 1857788130 DIAJQQILVLWHIH-QFIPXVFZSA-N 553.511 4.467 70 20 KIID COC(=O)CN(CC(=O)OC)C(=O)c1ccc2c(c1)C1(OC2=O)c2cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c2Oc2c1cc(F)c(OS(=O)(=O)C(F)(F)F)c2F 2241583578 XOWCWOOKQYVTIF-UHFFFAOYSA-N 855.546 4.056 70 20 KIID COC(=O)CN(CC(=O)OC)C(=O)c1ccc2c(c1)C(=O)OC21c2cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c2Oc2c1cc(F)c(OS(=O)(=O)C(F)(F)F)c2F 1857523708 HWVQDLJPKJSMHZ-UHFFFAOYSA-N 855.546 4.056 70 20 KIID CC(=O)CC(=O)CCc1ccc(NC(=O)CCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 1857791898 YJNZZHGXYBSDRO-UHFFFAOYSA-N 647.590 4.254 70 20 KIID C#Cc1cc(CN2CCN(C(=O)c3cc4ccccc4n3Cc3ccncc3)[C@H](C)C2)cc(S(=O)(=O)F)c1 2088596056 BHYGHPBZZFBTMM-OAQYLSRUSA-N 530.625 4.071 70 20 KIID