smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C[C@@H](C)O1 1123467822 HWMWXIHBBAZZFR-VXGBXAGGSA-N 438.503 -0.215 70 20 IBID C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C[C@H](C)O1 1123467809 HWMWXIHBBAZZFR-RYUDHWBXSA-N 438.503 -0.215 70 20 IBID O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1345451810 MJHYEWQQCPYJNW-UHFFFAOYSA-N 445.498 -0.050 70 20 IBID O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346641897 NLEUBXDUNGNZNK-UHFFFAOYSA-N 437.453 -0.108 70 20 IBID CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)CC1 1348647931 XVOQGOPBPSDIIK-UHFFFAOYSA-N 429.518 -0.017 70 20 IBID O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1ccc(-n2cnnn2)cc1 780365284 ALMPFWKUCNZEMR-UHFFFAOYSA-N 426.411 -0.056 70 20 IBID C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C[C@@H](C)O1 1123467819 HWMWXIHBBAZZFR-TXEJJXNPSA-N 438.503 -0.215 70 20 IBID