Browse Molecules

Molecule ID SMILES Charge States Microspecies
SM01 O=C1NCCCc2c1oc1ccc(O)cc21 2 2
SM02 FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1 2 4
SM03 O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1 2 1
SM04 Clc1ccc(CNc2ncnc3ccccc23)cc1 2 4
SM05 O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)o1 2 2
SM06 O=C(Nc1cccc2cccnc12)c1cncc(Br)c1 3 3
SM07 c1ccc(CNc2ncnc3ccccc23)cc1 2 4
SM08 Cc1ccc2[nH]c(=O)c(CC(=O)O)c(-c3ccccc3)c2c1 2 2
SM09 COc1cccc(Nc2ncnc3ccccc23)c1.Cl 2 4
SM10 O=C(CNC(=O)c1ccccc1)Nc1nc2ccccc2s1 2 1
SM11 Nc1ncnc2c1cnn2-c1ccccc1 2 5
SM12 Cl.Clc1cccc(Nc2ncnc3ccccc23)c1 2 4
SM13 COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC 2 4
SM14 Nc1ccc2c(c1)ncn2-c1ccccc1 3 4
SM15 Oc1ccc(-n2cnc3ccccc32)cc1 3 3
SM16 O=C(Nc1ccncc1)c1c(Cl)cccc1Cl 3 2
SM17 c1ccc(CSc2nnc(-c3ccncc3)o2)cc1 2 4
SM18 O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 4 4
SM19 CCOc1ccc2nc(NC(=O)Cc3ccc(Cl)c(Cl)c3)sc2c1 2 1
SM20 O=C1NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)S1 2 1