smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc(B(O)O)c(C=O)c2)CC1 2325873305 CLELDCLVYCPZHJ-AWEZNQCLSA-N 403.244 -1.816 50 50 HAGA CCC(=O)NNC(=O)c1nonc1NCNc1nonc1C(=O)NNC(=O)CC 100376202 KTFLPQXAHMWVNC-UHFFFAOYSA-N 410.351 -1.724 50 50 HAGA C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccc(B(O)O)c(C=O)c2)CC1 2325873306 CLELDCLVYCPZHJ-CQSZACIVSA-N 403.244 -1.816 50 50 HAGA CCN1C(=O)C[C@H](NNC(=O)CCCCC(=O)NN[C@@H]2CC(=O)N(CC)C2=O)C1=O 18181438 LVIMPQIGMMSTLL-TXEJJXNPSA-N 424.458 -1.917 50 50 HAGA Cc1nc(C)c(C(=O)NNC(=O)C[N+](C)(C)C)cc1C(=O)NNC(=O)C[N+](C)(C)C 1636141 UCIZHMRPDMQTKX-UHFFFAOYSA-P 423.518 -1.367 50 50 HAGA CCN1C(=O)C[C@H](NNC(=O)CCCCC(=O)NN[C@H]2CC(=O)N(CC)C2=O)C1=O 18181436 LVIMPQIGMMSTLL-RYUDHWBXSA-N 424.458 -1.917 50 50 HAGA O=c1nc(O)c(N(CCCl)CCCl)cn1[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253623283 MLKSOOLHODPMQD-OOTJXSFTSA-N 414.242 -1.795 50 50 HAGA O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1N(CCCl)CCCl 103407407 MLKSOOLHODPMQD-ATFQUMLSSA-N 414.242 -2.207 50 50 HAGA O=c1nc(O)c(N(CCCl)CCCl)cn1[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 253623284 MLKSOOLHODPMQD-UYNYGYNWSA-N 414.242 -1.795 50 50 HAGA CCN1C(=O)C[C@@H](NNC(=O)CCCCC(=O)NN[C@@H]2CC(=O)N(CC)C2=O)C1=O 100163836 LVIMPQIGMMSTLL-VXGBXAGGSA-N 424.458 -1.917 50 50 HAGA O=c1nc(O)c(N(CCCl)CCCl)cn1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 253623285 MLKSOOLHODPMQD-VFZGUZRASA-N 414.242 -1.795 50 50 HAGA Cc1cc(NNC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc(=N)[nH]1 2325879503 XUZYFPUVQYYDFP-UHFFFAOYSA-N 418.439 -1.393 50 50 HAGA