Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol16121 NS(=O)(=O)c1cc2cc(CN3CCOCC3)sc2o1 3 3
mol16122 CCOCCNCc1cc2cc(S(N)(=O)=O)oc2s1 3 3
mol16123 COCCNCc1cc2cc(S(N)(=O)=O)oc2s1 3 3
mol16124 Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1 2 3
mol16125 CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1 2 3
mol16126 O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1 2 3
mol16127 O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1 0 0
mol16128 O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1 2 2
mol16129 O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12 2 3
mol16130 O=S(=O)(c1ccccc1)c1ccc(O)nn1 2 2
mol16131 NCCc1c[nH]c2c(O)cc(O)cc12 2 4
mol16132 O=[N+]([O-])c1ccccc1-c1nc2ccccc2[nH]1 3 3
mol16133 Cc1cccc(Nc2ccncc2S(=O)(=O)/N=C(\NC#N)N2CCCCCC2)c1 2 3
mol16134 Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1 2 7
mol16135 Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1 2 6
mol16136 CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 2 2
mol16137 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCN(C)CC1 2 3
mol16138 C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)P(=O)(O)Cc1c(F)cccc1F 2 0
mol16139 C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O 4 5
mol16140 COc1c(CC=C(C)C)c(O)c(C(=O)O)c(CCc2ccccc2)c1CC=C(C)C 2 2