Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol1981 NC1=N[C@H](c2ccco2)Nc2ccccc21 2 3
mol1982 Cc1n[nH]c(C)c1Cc1sc2c(c1C(=O)N1C[C@H](O)CO1)c(=O)n(C)c(=O)n2CC(C)C 2 2
mol1983 C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)sc12 2 2
mol1984 CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 3 6
mol1985 O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCNCC2)c1Cl 2 2
mol1986 Cc1ccnc(N)c1N 2 4
mol1987 c1ccc2c(CC3=NCCN3)cccc2c1 2 2
mol1988 COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1 2 2
mol1989 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 5 8
mol1990 O=C(CCl)NO 2 2
mol1991 C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 2 2
mol1992 N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 3 4
mol1993 C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)O 2 4
mol1994 CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2 2
mol1995 CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1 2 2
mol1996 COC(=O)c1ccc(C(F)(F)F)nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1 2 2
mol1997 C/C=C\c1ccc(O)c(OC)c1 2 2
mol1998 OCCS 2 2
mol1999 COCCO 2 2
mol2000 CCCCNC 2 2