smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)CC1 1123467436 DUHZGIFKZLTKGU-UHFFFAOYSA-N 423.492 -1.077 70 20 HAID CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1346928755 FCYKGJRLUDEWSB-UHFFFAOYSA-N 400.392 -1.225 70 20 HAID CCN(CC)C(=O)CN1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 217099638 BGICAXKPDDAMJF-UHFFFAOYSA-N 405.503 -1.080 70 20 HAID C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1 780387222 KBMMLLIWHQMYQO-SSDOTTSWSA-N 403.435 -1.408 70 20 HAID C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1 780387230 KBMMLLIWHQMYQO-ZETCQYMHSA-N 403.435 -1.408 70 20 HAID