Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol36902 O=C(OC1CCCCC1)c1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1 2 2
mol36903 CC[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5[N+](C)(C)[C@@H]4CC1)[C@H]32 2 2
mol36904 CC[C@@]12CCC[N+]3(C)CC[C@]4(c5cccc(OC)c5N[C@@H]4CC1)[C@@H]23 2 2
mol36905 OCC=CCO 2 2
mol36906 OCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2 2
mol36907 O=P(O)(O)SCCCO 2 1
mol36908 N#CCCN(CCO)CCC#N 2 2
mol36909 O=C(O)CN(CCO)CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O 2 5
mol36910 O=C(O)CC(C(=O)O)N(CCO)CCN(CCO)C(CC(=O)O)C(=O)O 2 6
mol36911 O=C(O)CN(CCN(CCO)CCO)CC(=O)O 2 3
mol36912 OCCN(CCO)Cc1ccccn1 2 2
mol36913 O=S(=O)(c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)N(CCO)CCO)cc(c1O)Cc1cc(S(=O)(=O)N(CCO)CCO)cc(c1O)Cc1cc(S(=O)(=O)N(CCO)CCO)cc(c1O)C2)N(CCO)CCO 2 2
mol36914 OCCN(CCO)c1nc(N2CCCCC2)nc2c(N(CCO)CCO)nc(N3CCCCC3)nc12 2 6
mol36915 OCCN(CCOCCc1nnn[nH]1)CCc1nnn[nH]1 2 2
mol36916 OCCN1CCN(Cc2cccc(CN3CCN(CCO)CC3)n2)CC1 2 3
mol36917 O=C(CS)NCCO 2 2
mol36918 OCCNCc1cc(CNCCO)[nH]n1 2 3
mol36919 O=S1(=O)OC(c2ccc(NCCO)cc2)(c2ccc(NCCO)cc2)c2ccccc21 2 2
mol36920 O=C(OCCOCCO)c1cc(C(=O)OCCOCCO)[nH]n1 2 2
mol36921 [O-][N+](O)=CC(SCCO)c1ccccc1 2 2