Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol15341 O=[N+]([O-])c1ccc(/C=C/c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1 2 6
mol15342 OCCc1cnc(P(c2ncc(CCO)[nH]2)c2ncc(CCO)[nH]2)[nH]1 3 3
mol15343 CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1 2 2
mol15344 Nc1ccc(S(=O)(=O)Nc2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 2 2
mol15345 Nc1ccc(S(=O)(=O)Nc2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 2 2
mol15346 Nc1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 2 2
mol15347 Cc1c[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)c(O)nc1NCCc1ccccc1 2 3
mol15348 O=C1C[C@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46 2 2
mol15349 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 2 2
mol15350 OC[C@@H]1O[C@H](n2ccc3c2ncn2ccnc32)[C@@H](O)[C@H]1O 2 3
mol15351 COc1ccc2nc3c(c(N4CCOCC4)c2c1)CCC3 2 3
mol15352 CN1C[C@H](C(=O)O)C[C@@]2(O)c3cccc4[nH]cc(c34)C[C@@H]12 3 3
mol15353 CN1C[C@H](C(=O)O)C[C@@]2(O)c3cccc4[nH]cc(c34)C[C@H]12 3 3
mol15354 CN1C[C@@H](C(=O)O)C[C@@]2(O)c3cccc4[nH]cc(c34)C[C@@H]12 3 3
mol15355 CN1C[C@@H](C(=O)O)C[C@@]2(O)c3cccc4[nH]cc(c34)C[C@H]12 3 3
mol15356 O=c1oc2cc(O)ccc2cc1-c1nc2ccccc2o1 2 2
mol15357 C=C(C(=O)O[C@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)N2C)c1ccccc1 2 2
mol15358 O=c1oc2cc(O)ccc2cc1-c1nc2ccccc2s1 2 2
mol15359 OC[C@@H]1O[C@H](n2cnc3c2ncn2ccnc32)[C@@H](O)[C@H]1O 2 4
mol15360 CON=C(C)CC(C)(C)NCCNC(C)(C)CC(C)=NO 2 3