smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features [N-]=[N+]=NOC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O 114093878 XWKFKILZQYRKGG-XVFCMESISA-N 284.232 -1.313 10 30 CACC Nc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 5933321 MIAKOEWBCMPCQR-IIRVCBMXSA-N 271.269 -1.553 10 30 CACC in-vivo CC(=O)N[C@@H]1[C@H](OCCN=[N+]=[N-])O[C@@H](CO)[C@@H](O)[C@@H]1O 72099142 DHQJPCIPZHPDSL-SRQGCSHVSA-N 290.276 -1.743 10 30 CACC [N-]=[N+]=NCC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O 200242680 AFNOHTDETQTADW-PNKGULFTSA-N 262.222 -2.787 10 30 CACC [N-]=[N+]=NCC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O 145875013 AFNOHTDETQTADW-YTLSDQODSA-N 262.222 -2.787 10 30 CACC