smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCC(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21 96327925 DNNYFPLSGADQHQ-DAYGRLMNSA-N 446.460 -0.373 5 30 IBBC O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 33971074 UJTOVSZPBVTOMC-QKZHPOIUSA-N 441.374 -0.425 5 30 IBBC world O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 95618600 UJTOVSZPBVTOMC-HJHSNUOESA-N 441.374 -0.425 5 30 IBBC world