Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol15001 NC(=O)c1c2cccc1COCCOCc1ncc([nH]1)COCCOC2 2 2
mol15002 CC(C)=CCC1C(=O)C(CC=C(C)C)(CC=C(C)C)C(O)(C(=O)O)C1=O 4 6
mol15003 CC(C)=CCC1=C(O)C(O)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O 2 2
mol15004 CC[C@]12CCCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@@H]32 2 2
mol15005 COC(=O)[C@H]1[C@@H]2Cc3c4[nH]c5ccccc5c4cc[n+]3C[C@H]2CC[C@H]1O 2 2
mol15006 S=C(/N=N/c1ccc2ccccc2c1)NNc1ccc2ccccc2c1 2 1
mol15007 COc1ccc2ccc(OC)c(N3CCOCC3)c2c1N1CCOCC1 0 0
mol15008 COc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 2 2
mol15009 O=C(C[n+]1cccc2c3ccccc3ccc21)c1ccc([N+](=O)[O-])cc1 0 0
mol15010 c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 0 0
mol15011 COc1ccc2c(c1OC(C)=O)[C@]13CCN(C)[C@H](C2)[C@@H]1CC[C@H](OC)C3 2 2
mol15012 C[C@H](CCCN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2 2
mol15013 COc1ccc2c(c1O)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3 2 3
mol15014 CN1CCC(n2nc(-c3ccccc3)c(Cc3ccccc3)c2O)CC1 3 4
mol15015 O=C(O)[C@@H](NCCN[C@@H](C(=O)O)c1ccccc1O)c1ccccc1O 5 8
mol15016 O=C(O)[C@H](NCCN[C@@H](C(=O)O)c1ccccc1O)c1ccccc1O 5 8
mol15017 O=C(O)C(NCCNC(C(=O)O)c1ccccc1O)c1ccccc1O 5 8
mol15018 O=[N+]([O-])c1ccc(O)c(CN2CCOCCOCCOCCOCC2)c1 3 4
mol15019 CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl 3 3
mol15020 CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2CC1 2 2