Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol3021 O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CCOC2 2 2
mol3022 O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2 2 2
mol3023 O=c1[nH]c2c(Cc3nn[nH]n3)c3ccccc3n2c2ccccc12 2 2
mol3024 O=c1[nH]c2cc(-c3ccc(F)cc3)ccc2cc1O 2 3
mol3025 O=c1[nH]c2cc(C(F)(F)F)ccc2n1Cc1cc(Cl)ccc1O 2 2
mol3026 O=c1[nH]c2ccc(-c3ccc(F)cc3)cc2cc1O 2 3
mol3027 O=c1[nH]c2ccccc2c(=O)n1CCCl 2 2
mol3028 O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12 2 2
mol3029 O=c1cc(CSc2cccc(F)c2F)nc2cc[nH]n12 2 2
mol3030 O=c1ccc2nc3ccc(O)cc3oc-2c1 2 2
mol3031 OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1 2 7
mol3032 NC(CO)c1ccccc1 2 2
mol3033 c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 2 4
mol3034 c1ccc(-c2nc3n(c2-c2ccccc2)CCS3)cc1 2 2
mol3035 c1ccc(Nc2nc(NC3CCCCC3)nc3ccccc23)cc1 2 5
mol3036 c1ccc(Nc2ncc3ccccc3n2)cc1 2 4
mol3037 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C 2 2
mol3038 CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1 2 2
mol3039 CC1=CCN2CCC[C@@H]12 2 2
mol3040 CCC1OC(=O)CC(O)C(C)C(CC=O)(OC2OC(C)CC(N(C)C)C2O)CC(C)C(=O)/C=C\C(C)=C/C1C 2 2