Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol12241 CCN(CC)C(=O)C1CCCN(Cc2ccc(C)cc2)C1 2 2
mol12242 CCN(CC)C(=O)C1CCCN(Cc2cccc(OC)c2)C1 2 2
mol12243 CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)cc2)C1 2 2
mol12244 O=[N+]([O-])c1ccc(N=NNc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)c([As](=O)(O)O)c1 4 5
mol12245 O=C1c2ccccc2C(=O)C1c1cccc2ccccc12 2 2
mol12246 O=C1c2ccccc2C(=O)C1c1ccc2ccccc2c1 2 2
mol12247 O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3O)c-2cc1O 3 9
mol12248 O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1 0 0
mol12249 O=c1cc2oc3cc(O)c(O)cc3c(-c3ccc([N+](=O)[O-])cc3)c-2cc1O 0 0
mol12250 N#CC1C(=O)NC(=O)C1(Cc1ccccc1)Cc1ccccc1 0 0
mol12251 O=C(O)C1C(=O)NC(=O)C1(Cc1ccccc1)Cc1ccccc1 0 0
mol12252 NC(=O)C1C(=O)NC(=O)C1(Cc1ccccc1)Cc1ccccc1 0 0
mol12253 CCCCC1C(=O)N(c2ccccc2)N(c2ccc([N+](=O)[O-])cc2)C1=O 2 2
mol12254 CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2 2
mol12255 CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O 2 2
mol12256 CC(O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2 2
mol12257 CC(=O)NCC(=O)NC(Cc1cn(Cc2ccccc2)cn1)C(=O)NCC(=O)O 3 3
mol12258 O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21 2 2
mol12259 O=S1(=O)OC(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccccc21 2 2
mol12260 CCc1nc(NS(=O)(=O)c2ccc(N=Nc3ccc(O)c4ncccc34)cc2)ns1 2 2