Browse Molecules

Molecule ID SMILES Charge States Microspecies
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
SAMPL8-23 Cc1nc2cc(O)ccc2s1 3 3
euroSAMPL-01 Cn1nc(C(=O)O)cc1-c1ccco1 2 2
euroSAMPL-02 O=C(O)Cn1cc(-c2ccccc2)ccc1=O 2 2
euroSAMPL-03 COc1ccc(-c2ccccn2)cc1 2 2
euroSAMPL-04 CC(C)(C)c1cc(N)ncn1 2 4
euroSAMPL-05 NCc1ccc(C(N)=O)cc1 2 2
euroSAMPL-06 CN1C(=O)Cc2cc(C(=O)O)ccc21 2 2
euroSAMPL-07 Br.Cc1ccc(-c2csc(N)n2)cc1 2 3
euroSAMPL-08 O=C(NCc1ccccc1)c1ccc(O)cc1 2 2
euroSAMPL-09 CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1 2 3
euroSAMPL-10 COc1cc(N)c(Cl)cc1C(=O)O 2 2
euroSAMPL-11 O=C(O)c1ccc2cccnc2n1 2 4
euroSAMPL-12 CC(=O)Nc1cc(C(=O)O)ccn1 2 3