Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol15621 CCN(CC)CCNc1nc(C)cc(Nc2ccc(Cl)cc2)n1 3 9
mol15622 CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 2 2
mol15623 CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC 3 3
mol15624 CCN1CCCC1CNC(=O)c1c(OC)ccc([N+](=O)[O-])c1O 3 3
mol15625 Cc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc(C(=O)O)c1O 4 5
mol15626 C/C=C1/CN2[C@@H]3C[C@H]1C1[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@@H]34 2 0
mol15627 O=C(Oc1cccc(Cl)c1)C1c2ccccc2-c2ccccc21 0 0
mol15628 O=C(Oc1ccc(Cl)cc1)C1c2ccccc2-c2ccccc21 0 0
mol15629 c1nc(Cc2c[nH]c(Cc3nc(Cc4cnc[nH]4)c[nH]3)n2)c[nH]1 5 16
mol15630 Cc1cc(-c2ccccc2)nn2c(CN3CCOCC3)cnc12 3 5
mol15631 Cc1cc(-c2ccccc2)nn2cc(CN3CCOCC3)nc12 3 5
mol15632 Cc1cc(/N=N/c2nc3ccccc3s2)c2cccnc2c1O 2 3
mol15633 Cc1cc(/N=N/c2nc3ccccc3s2)c(O)c2ncccc12 2 2
mol15634 N#Cc1c(-c2nc3ccccc3o2)c(=O)oc2cc(O)ccc12 2 2
mol15635 Cc1cc(O)ccc1/N=N/c1ccc2c(c1)Cc1ccccc1-2 2 2
mol15636 O=C(Cc1ccc2ccc3cccnc3c2n1)c1ccccc1 2 3
mol15637 N#Cc1c(-c2nc3ccccc3s2)c(=O)oc2cc(O)ccc12 2 2
mol15638 C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C 2 2
mol15639 O=C(C[n+]1cccc2c3ccccc3ccc21)c1ccccc1 0 0
mol15640 CCCCCCCP(=O)(CCCCCCC)CCCCCCC 0 0