Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol32362 O=C1C(O)=C(C=Cc2ccccc2)C(=O)c2ccccc21 2 2
mol32363 O=C(O)C1OC(Oc2ccc(-c3ccccc3)cc2)C(O)C(O)C1O 2 2
mol32364 COC(=O)C(NC(=O)Cc1ccccc1)C1SC(C)(C)C2C(=O)NC(=S)N12 2 4
mol32365 Cc1c[n+](C2CC(O)C(CO)O2)c(O)nc1NCCc1ccccc1 2 3
mol32366 CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O 2 2
mol32367 CC(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 2 2
mol32368 CCCCCCCCC=CCCCCCCCC(=O)O 2 2
mol32369 Nc1ccc(-c2ccc(N=Cc3ccc(O)cc3)cc2)cc1 3 5
mol32370 Nc1ccc(-c2ccc(N=Cc3ccccc3O)cc2)cc1 3 5
mol32371 O=C(O)C1OC(Oc2ccc3oc4cccc(O)c4c(=O)c3c2)C(O)C(O)C1O 2 2
mol32372 C=CC1(O)CN2CCC1CC2C(O)c1cc(O)nc2ccccc12 3 6
mol32373 COc1cc2c(cc1OC)C1Cc3ccc(OC)c(O)c3C(C2)N1C 2 3
mol32374 COc1cc2c(cc1O)C1Cc3cc(OC)c(OC)cc3C(C2)N1C 2 3
mol32375 CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O)CCCC21C 2 2
mol32376 CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1 2 2
mol32377 S=C(N=Nc1ccc2ccccc2c1)NNc1ccc2ccccc2c1 2 1
mol32378 CC1=NN(c2ccccc2)C(=O)C1=Cc1c(C)nn(-c2ccccc2)c1O 0 0
mol32379 COC(=O)C1C(O)CCC2C[n+]3ccc4c([nH]c5ccccc54)c3CC21 2 5
mol32380 CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C 2 2
mol32381 CC1(CC2CCOC2)CC2C34COC(=O)CC3OC(C)(C)C4CC(=O)C2(C)C2(C1)OC2C(=O)O 2 2