Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol32622 OCC1OC(n2cnc3ccccc32)C(O)C(O)C1O 2 6
mol32623 C#CC1(O)CC(C)N(C)C2CCCCC21 2 2
mol32624 NC(c1ccccc1)C(O)c1ccccc1 2 2
mol32625 Cc1cc2ncn(C3OCC(O)C(O)C3O)c2cc1C 2 3
mol32626 Cc1ccc2c(c1)ncn2C1OC(CO)C(O)C(O)C1O 2 6
mol32627 CC1CC(C=C2CC(C)(C)CN2)=NC1(C)C 2 3
mol32628 CC(O)C(CCC=O)OC1OC(C)C(N(C)C)C(O)C1O 2 2
mol32629 O=[N+]([O-])c1ccc(-n2nnnc2C=Cc2ccc(Cl)cc2)cc1 2 6
mol32630 O=[N+]([O-])c1ccc(C=Cc2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1 2 6
mol32631 Clc1ccc(C=Cc2nnnn2-c2ccccc2)cc1 2 4
mol32632 C(=Cc1nnnn1-c1ccccc1)c1ccccc1 2 6
mol32633 CN(C)c1ccc(C=Cc2cc[n+]([O-])cc2)cc1 2 3
mol32634 C=CCCN1CC2CC(C1)c1cccc(=O)n1C2 2 2
mol32635 O=C1C=CN2CC3CC(CN4CCCCC34)C2C1 2 3
mol32636 O=C1C2CC(CN3CCCCC23)C2=CCCCN12 2 2
mol32637 O=C1C2CC(CN3CCCC=C23)C2CCCCN12 0 0
mol32638 O=C1C2CC(CN3CCCCC23)C2CCCCN12 2 2
mol32639 O=C1CCCC2C3CC(CN12)C1CCCCN1C3 2 2
mol32640 C1CCN2CC3CC(CN4CCCCC34)C2C1 2 2
mol32641 CN1CC(C(=O)O)CC2c3cccc4[nH]cc(c34)CC21 2 2