Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol16081 O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1ccccc1)CC2 2 2
mol16082 O=C1NC[C@@H](c2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2 2 2
mol16083 CC(C)N(c1ccc(Oc2ccccc2C(F)(F)F)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1 2 2
mol16084 N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1 2 2
mol16085 N/C(=N\O)Nc1ccc(Oc2ccc(N/C(N)=N/O)cc2)cc1 2 2
mol16086 NC(=O)CN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 2 2
mol16087 CS(=O)(=O)Nc1ccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c2c1 2 2
mol16088 O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2cc(O)ccc12 2 3
mol16089 Nc1ccc(S(=O)(=O)c2c(O)cc(O)cc2O)cc1 3 5
mol16090 O=C1NS(=O)(=O)Nc2[nH]ncc21 2 3
mol16091 NC1=NS(=O)(=O)Nc2[nH]ncc21 2 2
mol16092 NC1=NS(=O)(=O)Nc2nsnc21 2 2
mol16093 CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)cc21 2 2
mol16094 O=c1sc2cc(CCCF)ccc2n1CCN1CCCCCC1 2 2
mol16095 NCc1ccc2c(N)nccc2c1 2 5
mol16096 COc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1 2 2
mol16097 COc1ccc(Cn2c(=O)n3ncnc3c3c4c(sc32)CN(CC2CCOCC2)CC4)cc1 2 2
mol16098 O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2nccn2c1 2 2
mol16099 CN(CC#CCN1CCCC1=O)CCBr 2 2
mol16100 CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2 2 3