Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol16101 C=CCN(CC)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN 2 2
mol16102 CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN 2 2
mol16103 C[N+](C)(C)c1ccc2c(c1)CCC/C2=N\N 2 3
mol16104 COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O 4 4
mol16105 Cc1ccc(Cn2c(C3CNCCO3)nc3ccccc32)cc1C 2 3
mol16106 Cc1ccc(Cn2c([C@@H]3CNCCS3)nc3ccccc32)cc1C 2 3
mol16107 CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C2COC2)C3)cc1 2 5
mol16108 CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C(C)C)C3)cc1 2 4
mol16109 CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CC(=O)N(C)C(=N)N3)s2)c1 2 3
mol16110 C[C@@H]1CC[C@H]2C(CN3CCN(CCO)CC3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 2 0
mol16111 O=c1[nH]c(=O)n(C[C@@H]2C3CCC(CC3)[C@H]2Nc2nc(-c3c[nH]c4ncc(F)cc34)ncc2F)o1 2 5
mol16112 Cc1nc2ccncc2n2c(-c3ccccc3Cl)nnc12 2 5
mol16113 CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1 2 3
mol16114 CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)F)C(=O)NC1(C#N)CC1 2 3
mol16115 S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1 2 4
mol16116 N#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O 2 2
mol16117 CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(/C=C/c4c(Cl)cccc4Cl)oc23)[C@H](O)C1 2 4
mol16118 CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CN(C(=O)/C=C/CN3CCCCC3)C[C@H]21 2 2
mol16119 COc1cccc(Cn2nc(C(F)(F)F)c(Cc3ccc4c(c3)OCO4)c2OC)c1 0 0
mol16120 NC(CCCCCP(=O)(O)O)C(=O)O 4 5