Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol14521 Nc1c2ccccc2nc2c(N)cccc12 2 4
mol14522 Cc1ccc2nc3ccc(N)cc3nc2c1 2 4
mol14523 C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1 3 3
mol14524 Cc1cc(C)c2c(O)c(CC(=O)O)oc2c1 2 2
mol14525 O=C(O)c1cc(-c2ccccc2)oc(=O)c1 2 2
mol14526 O=C(O)Cc1ccc(-c2ccccc2)cc1 2 2
mol14527 COc1ccc(C(O)c2ccccc2)cc1 0 0
mol14528 CC1=CC(=C2C=CC=CC=C2)C=C(C)C1=O 0 0
mol14529 CP(=O)(Cc1ccccc1)c1ccccc1 0 0
mol14530 C/C=C/C1=C(O)C(=O)c2ccccc2C1=O 2 2
mol14531 O=C(c1ccccc1)c1ccc(O)c(O)c1 2 3
mol14532 O=C(O)CCc1nnnn1-c1ccccc1 2 2
mol14533 COc1cc(C)nc(-n2nc(C)cc2O)n1 2 3
mol14534 Cc1cc(O)n(-c2nc(C)c(C)c(O)n2)n1 3 4
mol14535 NS(=O)(=O)c1nnc(Nc2ccccc2)s1 3 3
mol14536 Nc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1 2 3
mol14537 C(=C/CN1CCCCC1)\CN1CCCCC1 3 3
mol14538 CC1CC(/C=C2\CC(C)(C)CN2)=NC1(C)C 2 3
mol14539 CCOC(=O)N1CCc2noc(O)c2CC1 2 2
mol14540 O=C(O)c1ccc([N+](=O)[O-])c2cccnc12 3 4