Functional group list
All currently available groups are included in the table
| Identifier | Information | Image | Identifier | Information | Image | |
|---|---|---|---|---|---|---|
| F | name: fluoro smiles: F MEPO-QEq compatible: True |
|
Cl | name: chloro smiles: Cl MEPO-QEq compatible: True |
|
|
| Br | name: bromo smiles: Br MEPO-QEq compatible: True |
|
I | name: iodo smiles: I MEPO-QEq compatible: True |
|
|
| NH2 | name: amino smiles: N MEPO-QEq compatible: True |
|
Me | name: methyl smiles: C MEPO-QEq compatible: True |
|
|
| Et | name: ethyl smiles: CC MEPO-QEq compatible: True |
|
Pr | name: propyl smiles: CCC MEPO-QEq compatible: True |
|
|
| NO2 | name: nitro smiles: [N+](=O)[O-] MEPO-QEq compatible: True |
|
HCO | name: formyl smiles: C=O MEPO-QEq compatible: True |
|
|
| COOH | name: carboxy smiles: C(=O)O MEPO-QEq compatible: True |
|
OH | name: hydroxy smiles: O MEPO-QEq compatible: True |
|
|
| CN | name: cyano smiles: C#N MEPO-QEq compatible: False |
|
Ph | name: phenyl smiles: c1ccccc1 MEPO-QEq compatible: True |
|
|
| OMe | name: methoxy smiles: OC MEPO-QEq compatible: True |
|
OEt | name: ethoxy smiles: OCC MEPO-QEq compatible: True |
|
|
| OPr | name: propoxy smiles: OCCC MEPO-QEq compatible: True |
|
NHMe | name: methylamino smiles: NC MEPO-QEq compatible: True |
|
|
| SO3H | name: sulfo smiles: S(=O)(=O)O MEPO-QEq compatible: True |
|
CHCH2 | name: vinyl smiles: C=C MEPO-QEq compatible: True |
|
|
| CCH | name: ethynyl smiles: C#C MEPO-QEq compatible: True |
|
MeNH2 | name: aminomethyl smiles: CN MEPO-QEq compatible: True |
|
|
| OEte | name: vinyloxy smiles: OC=C MEPO-QEq compatible: True |
|
OPre | name: allyloxy smiles: OCC=C MEPO-QEq compatible: True |
|
|
| CF3 | name: trifluoromethyl smiles: C(F)(F)F MEPO-QEq compatible: True |
|
CONH2 | name: carbamoyl smiles: C(=O)N MEPO-QEq compatible: False |
|
|
| CHNH | name: methanimidoyl smiles: C=N MEPO-QEq compatible: False |
|
COF | name: fluorocarbonyl smiles: C(=O)F MEPO-QEq compatible: True |
|
|
| COCl | name: chlorocarbonyl smiles: C(=O)Cl MEPO-QEq compatible: True |
|
COBr | name: bromocarbonyl smiles: C(=O)Br MEPO-QEq compatible: True |
|
|
| COI | name: iodocarbonyl smiles: C(=O)I MEPO-QEq compatible: True |
|
MeF | name: fluoromethyl smiles: CF MEPO-QEq compatible: True |
|
|
| MeCl | name: chloromethyl smiles: CCl MEPO-QEq compatible: True |
|
MeBr | name: bromomethyl smiles: CBr MEPO-QEq compatible: True |
|
|
| MeI | name: iodomethyl smiles: CI MEPO-QEq compatible: True |
|
MeF2 | name: difluoromethyl smiles: C(F)F MEPO-QEq compatible: True |
|
|
| MeCl2 | name: dichloromethyl smiles: C(Cl)Cl MEPO-QEq compatible: True |
|
MeBr2 | name: dibromomethyl smiles: C(Br)Br MEPO-QEq compatible: True |
|
|
| MeI2 | name: diiodomethyl smiles: C(I)I MEPO-QEq compatible: True |
|
MeCl3 | name: trichloromethyl smiles: C(Cl)(Cl)Cl MEPO-QEq compatible: True |
|
|
| MeBr3 | name: tribromomethyl smiles: C(Br)(Br)Br MEPO-QEq compatible: True |
|
MeI3 | name: triiodomethyl smiles: C(I)(I)I MEPO-QEq compatible: True |
|
|
| AzBorn1 | name: 2H-azaborinin-1-yl smiles: N1C=CC=CB1 MEPO-QEq compatible: True |
|
AzBorn6 | name: 1,2-dihydroazaborinin-6-yl smiles: C1=CC=CBN1 MEPO-QEq compatible: False |
|
|
| AzBorn5 | name: 1,2-dihydroazaborinin-5-yl smiles: C1=CNBC=C1 MEPO-QEq compatible: False |
|
AzBorn4 | name: 1,2-dihydroazaborinin-4-yl smiles: C1=CBNC=C1 MEPO-QEq compatible: False |
|
|
| AzBorn3 | name: 1,2-dihydroazaborinin-3-yl smiles: C1=CC=CNB1 MEPO-QEq compatible: False |
|
AzBorn2 | name: 1H-azaborinin-2-yl smiles: B1C=CC=CN1 MEPO-QEq compatible: True |
|
|
| Boox | name: boronooxy smiles: OB(O)O MEPO-QEq compatible: True |
|
Borl1 | name: borol-1-yl smiles: B1C=CC=C1 MEPO-QEq compatible: True |
|
|
| Borl2 | name: 1H-borol-2-yl smiles: C1=CC=CB1 MEPO-QEq compatible: True |
|
Borl3 | name: 1H-borol-3-yl smiles: C1=CBC=C1 MEPO-QEq compatible: True |
|
|
| BOH2 | name: borono smiles: B(O)O MEPO-QEq compatible: True |
|
DMeBanox | name: dimethoxyboranyloxy smiles: OB(OC)(OC) MEPO-QEq compatible: True |
|
|
| MeBanox | name: [hydroxy(methoxy)boranyl]oxy smiles: OB(O)OC MEPO-QEq compatible: True |
|
BOHOMe | name: hydroxy(methoxy)boranyl smiles: B(OC)O MEPO-QEq compatible: True |
|
|
| COOMe | name: methoxycarbonyl smiles: C(=O)OC MEPO-QEq compatible: True |
|
COMe | name: acetyl smiles: C(=O)C MEPO-QEq compatible: True |
|
|
| OCN | name: cyanato smiles: OC#N MEPO-QEq compatible: False |
|
NCO | name: isocyanato smiles: N=C=O MEPO-QEq compatible: True |
|
|
| NCS | name: isothiocyanato smiles: N=C=S MEPO-QEq compatible: True |
|
SCN | name: thiocyanato smiles: SC#N MEPO-QEq compatible: True |
|
|
| MeePr | name: 1-methylenepropyl smiles: C(=C)CC MEPO-QEq compatible: True |
|
MePre | name: 1-methylprop-1-enyl smiles: C(C)=CC MEPO-QEq compatible: True |
|
|
| iPre | name: isopropenyl smiles: C(=C)C MEPO-QEq compatible: True |
|
MeAll | name: 1-methylallyl smiles: C(C)C=C MEPO-QEq compatible: True |
|
|
| iPr | name: isopropyl smiles: C(C)C MEPO-QEq compatible: True |
|
Trzl1 | name: triazol-1-yl smiles: N1N=NC=C1 MEPO-QEq compatible: False |
|
|
| Trzl4 | name: 1H-triazol-4-yl smiles: C1=CNN=N1 MEPO-QEq compatible: False |
|
Trzl5 | name: 1H-triazol-5-yl smiles: C1=CN=NN1 MEPO-QEq compatible: False |
|
|
| 124Oxdzl5 | name: 1,2,4-oxadiazol-5-yl smiles: C1=NC=NO1 MEPO-QEq compatible: True |
|
124Oxdzl3 | name: 1,2,4-oxadiazol-3-yl smiles: C1=NOC=N1 MEPO-QEq compatible: True |
|
|
| 124Trzl3 | name: 1H-1,2,4-triazol-3-yl smiles: C1=NNC=N1 MEPO-QEq compatible: False |
|
124Trzl5 | name: 1H-1,2,4-triazol-5-yl smiles: C1=NC=NN1 MEPO-QEq compatible: False |
|
|
| 124Trzl1 | name: 1,2,4-triazol-1-yl smiles: N1N=CN=C1 MEPO-QEq compatible: False |
|
Am134Oxdzl | name: 5-amino-1,3,4-oxadiazol-2-yl smiles: C1=NN=C(N)O1 MEPO-QEq compatible: False |
|
|
| 134Oxdzl | name: 1,3,4-oxadiazol-2-yl smiles: C1=NN=CO1 MEPO-QEq compatible: True |
|
DAmTzn | name: 4,6-diamino-1,3,5-triazin-2-yl smiles: c1nc(N)nc(N)n1 MEPO-QEq compatible: False |
|
|
| Imidaz1 | name: imidazol-1-yl smiles: N1C=NC=C1 MEPO-QEq compatible: False |
|
Imidaz2 | name: 1H-imidazol-2-yl smiles: C1=NC=CN1 MEPO-QEq compatible: False |
|
|
| Imidaz4 | name: 1H-imidazol-4-yl smiles: C1=CNC=N1 MEPO-QEq compatible: False |
|
Imidaz5 | name: 1H-imidazol-5-yl smiles: C1=CN=CN1 MEPO-QEq compatible: False |
|
|
| IsOxzl3 | name: isoxazol-3-yl smiles: C1=NOC=C1 MEPO-QEq compatible: True |
|
IsOxzl4 | name: isoxazol-4-yl smiles: C1=CON=C1 MEPO-QEq compatible: True |
|
|
| IsOxzl5 | name: isoxazol-5-yl smiles: C1=CC=NO1 MEPO-QEq compatible: True |
|
IsOxzldn2 | name: isoxazolidin-2-yl smiles: N1CCCO1 MEPO-QEq compatible: True |
|
|
| IsOxzldn3 | name: isoxazolidin-3-yl smiles: C1NOCC1 MEPO-QEq compatible: True |
|
IsOxzldn4 | name: isoxazolidin-4-yl smiles: C1CONC1 MEPO-QEq compatible: True |
|
|
| IsOxzldn5 | name: isoxazolidin-5-yl smiles: C1CCNO1 MEPO-QEq compatible: True |
|
NO2Imidaz1 | name: 5-nitroimidazol-1-yl smiles: N1C([N+]([O-])=O)=CN=C1 MEPO-QEq compatible: False |
|
|
| NO2Imidaz2 | name: 5-nitro-1H-imidazol-2-yl smiles: C1=NC=C([N+]([O-])=O)N1 MEPO-QEq compatible: False |
|
NO2Imidaz4 | name: 5-nitro-1H-imidazol-4-yl smiles: C1=C([N+]([O-])=O)NC=N1 MEPO-QEq compatible: False |
|
|
| Oxzl2 | name: oxazol-2-yl smiles: C1=NC=CO1 MEPO-QEq compatible: True |
|
Oxzl4 | name: oxazol-4-yl smiles: C1=COC=N1 MEPO-QEq compatible: True |
|
|
| Oxzl5 | name: oxazol-5-yl smiles: C1=CN=CO1 MEPO-QEq compatible: True |
|
Oxzldn2 | name: oxazolidin-2-yl smiles: C1OCCN1 MEPO-QEq compatible: True |
|
|
| Oxzldn3 | name: oxazolidin-3-yl smiles: N1CCOC1 MEPO-QEq compatible: True |
|
Oxzldn4 | name: oxazolidin-4-yl smiles: C1NCOC1 MEPO-QEq compatible: True |
|
|
| Oxzldn5 | name: oxazolidin-5-yl smiles: C1CNCO1 MEPO-QEq compatible: True |
|
DHOxzl2 | name: 4,5-dihydrooxazol-2-yl smiles: C1=NCCO1 MEPO-QEq compatible: True |
|
|
| DHOxzl4 | name: 4,5-dihydrooxazol-4-yl smiles: C1N=COC1 MEPO-QEq compatible: True |
|
DHOxzl5 | name: 4,5-dihydrooxazol-5-yl smiles: C1OC=NC1 MEPO-QEq compatible: True |
|
|
| Pyrl1 | name: pyrrol-1-yl smiles: N1C=CC=C1 MEPO-QEq compatible: True |
|
Pyrl2 | name: 1H-pyrrol-2-yl smiles: C1=CC=CN1 MEPO-QEq compatible: True |
|
|
| Pyrl3 | name: 1H-pyrrol-3-yl smiles: C1=CNC=C1 MEPO-QEq compatible: True |
|
TAzn | name: 1,3,5-triazin-2-yl smiles: c1ncncn1 MEPO-QEq compatible: False |
|
|
| AmMale | name: [4-hydroxy-4-oxo-but-2-enoyl]amino smiles: NC(=O)C=CC(=O)O MEPO-QEq compatible: True |
|
DCoxAm | name: dicarboxyamino smiles: N(C(=O)O)C(=O)O MEPO-QEq compatible: False |
|
|
| AzIrdn | name: aziridin-1-yl smiles: N1CC1 MEPO-QEq compatible: True |
|
NNH | name: diazenyl smiles: N=N MEPO-QEq compatible: True |
|
|
| NMe2 | name: dimethylamino smiles: N(C)C MEPO-QEq compatible: True |
|
EtOHAm | name: 1-hydroxyethylamino smiles: NC(O)C MEPO-QEq compatible: True |
|
|
| NNMe | name: methylazo smiles: N=NC MEPO-QEq compatible: True |
|
NO3 | name: nitrooxy smiles: O[N+]([O-])(=O) MEPO-QEq compatible: False |
|
|
| NO | name: nitroso smiles: N=O MEPO-QEq compatible: False |
|
OCOOH | name: carboxyoxy smiles: OC(=O)O MEPO-QEq compatible: False |
|
|
| OOH | name: hydroperoxy smiles: OO MEPO-QEq compatible: True |
|
OCOOMe | name: methoxycarbonyloxy smiles: OC(=O)OC MEPO-QEq compatible: True |
|
|
| OOMe | name: methylperoxy smiles: OOC MEPO-QEq compatible: True |
|
OONOO | name: nitroperoxy smiles: OO[N+](=O)[O-] MEPO-QEq compatible: False |
|
|
| ONO | name: nitrosooxy smiles: ON=O MEPO-QEq compatible: False |
|
OPr1e | name: prop-1-enoxy smiles: OC=CC MEPO-QEq compatible: True |
|
|
| PMe2 | name: dimethylphosphanyl smiles: P(C)C MEPO-QEq compatible: True |
|
PHMe | name: methylphosphanyl smiles: PC MEPO-QEq compatible: True |
|
|
| MeHPO4 | name: [hydroxy(methoxy)phosphoryl]oxy smiles: OP(O)(=O)OC MEPO-QEq compatible: True |
|
PO4H2 | name: phosphonooxy smiles: OP(O)(=O)O MEPO-QEq compatible: False |
|
|
| PO3H2 | name: phosphono smiles: P(O)(O)=O MEPO-QEq compatible: False |
|
SSH | name: disulfanyl smiles: SS MEPO-QEq compatible: True |
|
|
| SSMe | name: methyldisulfanyl smiles: SSC MEPO-QEq compatible: True |
|
SMe | name: methylsulfanyl smiles: SC MEPO-QEq compatible: True |
|
|
| SOMe | name: methylsulfinyl smiles: S(=O)C MEPO-QEq compatible: False |
|
CSMe | name: ethanethioyl smiles: C(=S)C MEPO-QEq compatible: True |
|
|
| SONH2 | name: aminosulfinyl smiles: S(=O)N MEPO-QEq compatible: False |
|
SOOH | name: hydroxysulfinyl smiles: S(=O)O MEPO-QEq compatible: False |
|
|
| SHO | name: hydrosulfinyl smiles: S([H])(=O) MEPO-QEq compatible: False |
|
SO2NH2 | name: sulfamoyl smiles: S(=O)(=O)N MEPO-QEq compatible: False |
|
|
| CHS | name: methanethioyl smiles: C=S MEPO-QEq compatible: True |
|
Thzl1 | name: thiazol-1-yl smiles: S1C=NC=C1 MEPO-QEq compatible: True |
|
|
| Thzl2 | name: thiazol-2-yl smiles: C1=NC=CS1 MEPO-QEq compatible: True |
|
Thzl4 | name: thiazol-4-yl smiles: C1=CSC=N1 MEPO-QEq compatible: True |
|
|
| Thzl5 | name: thiazol-5-yl smiles: C1=CN=CS1 MEPO-QEq compatible: True |
|
Thzlum3 | name: thiazol-3-ium-3-yl smiles: [N+]1=CSC=C1 MEPO-QEq compatible: True |
|
|
| SH | name: sulfanyl smiles: S([H]) MEPO-QEq compatible: False |
|
2Br3Fur | name: 2-bromo-3-furyl smiles: c1c(Br)occ1 MEPO-QEq compatible: True |
|
|
| 5Br3Fur | name: 5-bromo-3-furyl smiles: c1cc(Br)oc1 MEPO-QEq compatible: True |
|
5Br2Fur | name: 5-bromo-2-furyl smiles: c1ccc(Br)o1 MEPO-QEq compatible: True |
|
|
| 2Br3Thi | name: 2-bromo-3-thienyl smiles: c1c(Br)scc1 MEPO-QEq compatible: True |
|
5Br3Thi | name: 5-bromo-3-thienyl smiles: c1cc(Br)sc1 MEPO-QEq compatible: True |
|
|
| 5Br2Thi | name: 5-bromo-2-thienyl smiles: c1ccc(Br)s1 MEPO-QEq compatible: True |
|
2Cl3Fur | name: 2-chloro-3-furyl smiles: c1c(Cl)occ1 MEPO-QEq compatible: True |
|
|
| 5Cl3Fur | name: 5-chloro-3-furyl smiles: c1cc(Cl)oc1 MEPO-QEq compatible: True |
|
5Cl2Fur | name: 5-chloro-2-furyl smiles: c1ccc(Cl)o1 MEPO-QEq compatible: True |
|
|
| 2Cl3Thi | name: 2-chloro-3-thienyl smiles: c1c(Cl)scc1 MEPO-QEq compatible: True |
|
5Cl3Thi | name: 5-chloro-3-thienyl smiles: c1cc(Cl)sc1 MEPO-QEq compatible: True |
|
|
| 5Cl2Thi | name: 5-chloro-2-thienyl smiles: c1ccc(Cl)s1 MEPO-QEq compatible: True |
|
2Et3Fur | name: 2-ethyl-3-furyl smiles: c1c(CC)occ1 MEPO-QEq compatible: True |
|
|
| 5Et3Fur | name: 5-ethyl-3-furyl smiles: c1cc(CC)oc1 MEPO-QEq compatible: True |
|
5Et2Fur | name: 5-ethyl-2-furyl smiles: c1oc(CC)cc1 MEPO-QEq compatible: True |
|
|
| 2Et3Thi | name: 2-ethyl-3-thienyl smiles: c1c(CC)scc1 MEPO-QEq compatible: True |
|
5Et3Thi | name: 5-ethyl-3-thienyl smiles: c1cc(CC)sc1 MEPO-QEq compatible: True |
|
|
| 5Et2Thi | name: 5-ethyl-2-thienyl smiles: c1sc(CC)cc1 MEPO-QEq compatible: True |
|
2F3Fur | name: 2-fluoro-3-furyl smiles: c1c(F)occ1 MEPO-QEq compatible: True |
|
|
| 5F3Fur | name: 5-fluoro-3-furyl smiles: c1cc(F)oc1 MEPO-QEq compatible: True |
|
5F2Fur | name: 5-fluoro-2-furyl smiles: c1ccc(F)o1 MEPO-QEq compatible: True |
|
|
| 2F3Thi | name: 2-fluoro-3-thienyl smiles: c1c(F)scc1 MEPO-QEq compatible: True |
|
5F3Thi | name: 5-fluoro-3-thienyl smiles: c1cc(F)sc1 MEPO-QEq compatible: True |
|
|
| 5F2Thi | name: 5-fluoro-2-thienyl smiles: c1ccc(F)s1 MEPO-QEq compatible: True |
|
2Me3Fur | name: 2-methyl-3-furyl smiles: c1c(C)occ1 MEPO-QEq compatible: True |
|
|
| 5Me3Fur | name: 5-methyl-3-furyl smiles: c1cc(C)oc1 MEPO-QEq compatible: True |
|
5Me2Fur | name: 5-methyl-2-furyl smiles: c1oc(C)cc1 MEPO-QEq compatible: True |
|
|
| 2Me3Thi | name: 2-methyl-3-thienyl smiles: c1c(C)scc1 MEPO-QEq compatible: True |
|
5Me3Thi | name: 5-methyl-3-thienyl smiles: c1cc(C)sc1 MEPO-QEq compatible: True |
|
|
| 5Me2Thi | name: 5-methyl-2-thienyl smiles: c1sc(C)cc1 MEPO-QEq compatible: True |
|
3Br2Fur | name: 3-bromo-2-furyl smiles: c1occc1(Br) MEPO-QEq compatible: True |
|
|
| 4Br3Fur | name: 4-bromo-3-furyl smiles: c1c(Br)coc1 MEPO-QEq compatible: True |
|
4Br2Fur | name: 4-bromo-2-furyl smiles: c1cc(Br)co1 MEPO-QEq compatible: True |
|
|
| 3Br2Thi | name: 3-bromo-2-thienyl smiles: c1sccc1(Br) MEPO-QEq compatible: True |
|
4Br3Thi | name: 4-bromo-3-thienyl smiles: c1c(Br)csc1 MEPO-QEq compatible: True |
|
|
| 4Br2Thi | name: 4-bromo-2-thienyl smiles: c1cc(Br)cs1 MEPO-QEq compatible: True |
|
3Cl2Fur | name: 3-chloro-2-furyl smiles: c1occc1(Cl) MEPO-QEq compatible: True |
|
|
| 4Cl3Fur | name: 4-chloro-3-furyl smiles: c1c(Cl)coc1 MEPO-QEq compatible: True |
|
4Cl2Fur | name: 4-chloro-2-furyl smiles: c1cc(Cl)co1 MEPO-QEq compatible: True |
|
|
| 3Cl2Thi | name: 3-chloro-2-thienyl smiles: c1sccc1(Cl) MEPO-QEq compatible: True |
|
4Cl3Thi | name: 4-chloro-3-thienyl smiles: c1c(Cl)csc1 MEPO-QEq compatible: True |
|
|
| 4Cl2Thi | name: 4-chloro-2-thienyl smiles: c1cc(Cl)cs1 MEPO-QEq compatible: True |
|
3F2Fur | name: 3-fluoro-2-furyl smiles: c1occc1(F) MEPO-QEq compatible: True |
|
|
| 4F3Fur | name: 4-fluoro-3-furyl smiles: c1c(F)coc1 MEPO-QEq compatible: True |
|
4F2Fur | name: 4-fluoro-2-furyl smiles: c1cc(F)co1 MEPO-QEq compatible: True |
|
|
| 3F2Thi | name: 3-fluoro-2-thienyl smiles: c1sccc1(F) MEPO-QEq compatible: True |
|
4F3Thi | name: 4-fluoro-3-thienyl smiles: c1c(F)csc1 MEPO-QEq compatible: True |
|
|
| 4F2Thi | name: 4-fluoro-2-thienyl smiles: c1cc(F)cs1 MEPO-QEq compatible: True |
|
AcAdxm | name: N-hydroxy-C-methyl-carbonimidoyl smiles: C(C)=NO MEPO-QEq compatible: True |
|
|
| Adxm | name: hydroxyiminomethyl smiles: C=NO MEPO-QEq compatible: True |
|
AmAdxm | name: N-hydroxycarbamimidoyl smiles: C(N)=NO MEPO-QEq compatible: True |
|
|
| FAdxm | name: C-fluoro-N-hydroxy-carbonimidoyl smiles: C(F)=NO MEPO-QEq compatible: True |
|
ClAdxm | name: C-chloro-N-hydroxy-carbonimidoyl smiles: C(Cl)=NO MEPO-QEq compatible: True |
|
|
| BrAdxm | name: C-bromo-N-hydroxy-carbonimidoyl smiles: C(Br)=NO MEPO-QEq compatible: True |
|
PrAdxm | name: C-ethyl-N-hydroxy-carbonimidoyl smiles: C(CC)=NO MEPO-QEq compatible: True |
|
|
| 22Fur3Fur | name: 2-(2-furyl)-3-furyl smiles: c1c(c2ccco2)occ1 MEPO-QEq compatible: True |
|
52Fur3Fur | name: 5-(2-furyl)-3-furyl smiles: c1coc(c2ccco2)c1 MEPO-QEq compatible: True |
|
|
| 52Fur2Fur | name: 5-(2-furyl)-2-furyl smiles: c1ccc(c2ccco2)o1 MEPO-QEq compatible: True |
|
22Thi3Thi | name: 2-(2-thienyl)-3-thienyl smiles: c1c(c2cccs2)scc1 MEPO-QEq compatible: True |
|
|
| 52Thi3Thi | name: 5-(2-thienyl)-3-thienyl smiles: c1csc(c2cccs2)c1 MEPO-QEq compatible: True |
|
52Thi2Thi | name: 5-(2-thienyl)-2-thienyl smiles: c1ccc(c2cccs2)s1 MEPO-QEq compatible: True |
|
|
| 25Br2Fur3Fur | name: 2-(5-bromo-2-furyl)-3-furyl smiles: c1c(c2ccc(Br)o2)occ1 MEPO-QEq compatible: True |
|
55Br2Fur3Fur | name: 5-(5-bromo-2-furyl)-3-furyl smiles: c1cc(c2ccc(Br)o2)oc1 MEPO-QEq compatible: True |
|
|
| 55Br2Fur2Fur | name: 5-(5-bromo-2-furyl)-2-furyl smiles: c1ccc(c2ccc(Br)o2)o1 MEPO-QEq compatible: True |
|
25Br2Thi3Thi | name: 2-(5-bromo-2-thienyl)-3-thienyl smiles: c1c(c2ccc(Br)s2)scc1 MEPO-QEq compatible: True |
|
|
| 55Br2Thi3Thi | name: 5-(5-bromo-2-thienyl)-3-thienyl smiles: c1cc(c2ccc(Br)s2)sc1 MEPO-QEq compatible: True |
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55Br2Thi2Thi | name: 5-(5-bromo-2-thienyl)-2-thienyl smiles: c1ccc(c2ccc(Br)s2)s1 MEPO-QEq compatible: True |
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| 2Fur | name: 2-furyl smiles: C1=CC=CO1 MEPO-QEq compatible: True |
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3Fur | name: 3-furyl smiles: C1=COC=C1 MEPO-QEq compatible: True |
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| 2Am3Fur | name: 2-amino-3-furyl smiles: c1c(N)occ1 MEPO-QEq compatible: True |
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5Am3Fur | name: 5-amino-3-furyl smiles: c1coc(N)c1 MEPO-QEq compatible: True |
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| 5Am2Fur | name: 5-amino-2-furyl smiles: C1=CC=C(N)O1 MEPO-QEq compatible: True |
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Pyraz | name: pyrazin-2-yl smiles: c1nccnc1 MEPO-QEq compatible: True |
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| SOH | name: hydroxysulfanyl smiles: SO MEPO-QEq compatible: True |
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2Thi | name: 2-thienyl smiles: C1=CC=CS1 MEPO-QEq compatible: True |
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| 3Thi | name: 3-thienyl smiles: C1=CSC=C1 MEPO-QEq compatible: True |
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2Am3Thi | name: 2-amino-3-thienyl smiles: c1c(N)scc1 MEPO-QEq compatible: True |
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| 5Am3Thi | name: 5-amino-3-thienyl smiles: c1csc(N)c1 MEPO-QEq compatible: True |
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5Am2Thi | name: 5-amino-2-thienyl smiles: C1=CC=C(N)S1 MEPO-QEq compatible: True |
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| 24DClPh | name: 2,4-dichlorophenyl smiles: c1c(Cl)cc(Cl)cc1 MEPO-QEq compatible: True |
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Bu | name: butyl smiles: CCCC MEPO-QEq compatible: True |
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| iBu | name: isobutyl smiles: CC(C)C MEPO-QEq compatible: True |
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All | name: allyl smiles: CC=C MEPO-QEq compatible: True |
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| OAc | name: acetoxy smiles: OC(=O)C MEPO-QEq compatible: True |
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NCOMe | name: acetamido smiles: NC(=O)C MEPO-QEq compatible: False |
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| NPh | name: anilino smiles: Nc1ccccc1 MEPO-QEq compatible: True |
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OBnz | name: benzyloxy smiles: OCc1ccccc1 MEPO-QEq compatible: True |
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| Bnz | name: benzyl smiles: Cc1ccccc1 MEPO-QEq compatible: True |
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4BrPh | name: 4-bromophenyl smiles: c1ccc(Br)cc1 MEPO-QEq compatible: True |
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| 2ClPh | name: 2-chlorophenyl smiles: c1c(Cl)cccc1 MEPO-QEq compatible: True |
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3ClPh | name: 3-chlorophenyl smiles: c1cc(Cl)ccc1 MEPO-QEq compatible: True |
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| 4ClPh | name: 4-chlorophenyl smiles: c1ccc(Cl)cc1 MEPO-QEq compatible: True |
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CHex | name: cyclohexyl smiles: C1CCCCC1 MEPO-QEq compatible: True |
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| COOEt | name: ethoxycarbonyl smiles: C(=O)OCC MEPO-QEq compatible: True |
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4FPh | name: 4-fluorophenyl smiles: c1ccc(F)cc1 MEPO-QEq compatible: True |
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| COH | name: hydroxymethyl smiles: CO MEPO-QEq compatible: True |
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4OMePh | name: 4-methoxyphenyl smiles: c1ccc(OC)cc1 MEPO-QEq compatible: True |
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| oTol | name: o-tolyl smiles: c1c(C)cccc1 MEPO-QEq compatible: True |
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pTol | name: p-tolyl smiles: c1ccc(C)cc1 MEPO-QEq compatible: True |
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| Morph | name: morpholino smiles: N1CCOCC1 MEPO-QEq compatible: True |
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4NO2Ph | name: 4-nitrophenyl smiles: c1ccc([N+](=O)[O-])cc1 MEPO-QEq compatible: True |
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| COPh | name: benzoyl smiles: C(=O)c1ccccc1 MEPO-QEq compatible: True |
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tBu | name: tert-butyl smiles: C(C)(C)(C) MEPO-QEq compatible: True |
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| AGlutol | name: 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl smiles: C1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1(O) MEPO-QEq compatible: True |
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PrNCNN | name: 3-guanidinopropyl smiles: CCCNC(=N)N MEPO-QEq compatible: False |
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| CPh4OH | name: (4-hydroxyphenyl)methyl smiles: Cc1ccc(O)cc1 MEPO-QEq compatible: True |
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AcOH | name: carboxymethyl smiles: CC(=O)O MEPO-QEq compatible: True |
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| sBu | name: sec-butyl smiles: C(C)CC MEPO-QEq compatible: True |
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NEt2 | name: diethylamino smiles: N(CC)CC MEPO-QEq compatible: True |
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| 1OHEt | name: 1-hydroxyethyl smiles: C(O)C MEPO-QEq compatible: True |
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Amidn | name: carbamimidoyl smiles: C(N)=N MEPO-QEq compatible: False |
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| NCNN | name: guanidino smiles: NC(=N)N MEPO-QEq compatible: False |
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3Indl | name: 1H-indol-3-yl smiles: c1c(C=CC=C2)c2nc1 MEPO-QEq compatible: True |
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| MeCONH2 | name: (2-amino-2-oxo-ethyl) smiles: CC(=O)N MEPO-QEq compatible: False |
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BuNH2 | name: 4-aminobutyl smiles: CCCCN MEPO-QEq compatible: True |
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| PrOOH | name: 2-carboxyethyl smiles: CCC(=O)O MEPO-QEq compatible: True |
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