Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol19101 COCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O 2 3
mol19102 C=CCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O 2 3
mol19103 Nc1cc(NCc2ccccc2)nc(N)n1 2 6
mol19104 Nc1nc(Cl)cc(NCc2ccccc2)n1 2 5
mol19105 Cc1cccc(Oc2cc(NCc3ccccc3)nc(N)n2)c1 2 5
mol19106 Nc1nc(O)cc(NCc2ccccc2)n1 2 5
mol19107 Nc1nc(S)cc(NCc2ccccc2)n1 2 5
mol19108 Cc1ccc(Oc2cc(NCc3ccccc3)nc(N)n2)cc1 2 5
mol19109 Nc1nc(NCc2ccccc2)cc(Oc2ccc(Cl)cc2)n1 2 5
mol19110 Cc1cc(NCc2ccccc2)nc(N)n1 2 5
mol19111 COc1cc(NCc2ccccc2)nc(N)n1 2 5
mol19112 Cc1ccnc(SC(F)(F)c2nc3ccccc3o2)n1 2 4
mol19113 Cc1cc(C)nc(SC(F)(F)c2nc3ccccc3o2)n1 2 3
mol19114 CN(C)CCCCc1cc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2cc1O)C(=O)NC4=O 2 4
mol19115 CN(C)CCCOc1cc2c(cc1O)c1c3c(c(-c4ccccc4Cl)cc1n2CCO)C(=O)NC3=O 2 4
mol19116 CN(C)CCCOc1cc2c(cc1O)c1c3c(c(-c4ccccc4Cl)cc1n2C)C(=O)NC3=O 2 2
mol19117 CN(C)CCCOc1cc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2cc1O)C(=O)NC4=O 2 3
mol19118 CN(C)CCCCc1cc2c(cc1O)c1c3c(c(-c4ccccc4Cl)cc1n2C)C(=O)NC3=O 2 3
mol19119 O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCN4CCOCC4)c(O)cc3c21 2 2
mol19120 O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCN4CCCC4)c(O)cc3c21 2 3