Browse Molecules

Molecule ID SMILES Charge States Microspecies
SAMPL8-1 O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1 2 2
SAMPL8-2 CS(=O)(=O)c1ccc(CCC(=O)O)cc1 2 2
SAMPL8-3 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl 2 2
SAMPL8-4 Br.Cc1sc(Nc2ccc(C#N)c(Cl)c2)nc1C(=O)O 2 2
SAMPL8-5 O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+] 2 2
SAMPL8-6 Cc1ccc(Cl)cc1NCc1ccc(C(=O)O)s1 2 3
SAMPL8-7 Nc1nc2ccc(Br)cc2n1CC1(O)CCOCC1 2 3
SAMPL8-8 COC(=O)c1cn2cccc(C(F)(F)F)c2n1 2 2
SAMPL8-9 Nc1nc2ccc(Br)cc2n1CC1(O)CCCCC1 2 3
SAMPL8-10 CS(=O)(=O)c1cccc(-c2ccc(CNCc3c(F)cccc3Cl)cc2)c1.Cl 2 2
SAMPL8-12 Cc1ccc(Cc2cnc(N)nc2N2CCOCC2)cc1 2 5
SAMPL8-14 Cc1cc(Cc2cnc(N)nc2N)cc(C(C)(C)C)c1O.Cl 2 5
SAMPL8-15 Cc1ccccc1Nc1nc(Cl)nc2ccccc12 2 4
SAMPL8-16 CC(C)(C)OC(=O)NCc1nc2ccccc2[nH]1 2 2
SAMPL8-17 Nc1nc2ccc(Br)cc2n1CC1(CO)CCOCC1 2 3
SAMPL8-18 COc1ccc(Nc2nc(Cl)nc3ccccc23)cc1OC 2 4
SAMPL8-19 COc1ncc(Cc2c[nH]c(SCc3nc4ccccc4n3C)nc2=O)cn1 3 5
SAMPL8-20 Nc1n[nH]c2nc(-c3ccccc3)c(Cl)cc12 3 5
SAMPL8-21 COc1cc(Cc2c(N)nc(N)nc2OC)cc(OC)c1O 2 5
SAMPL8-22 COc1cc2nc(Cl)nc(N)c2cc1OC 2 4