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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02292342

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.77
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.88
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.72
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.72
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.77
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.77
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.75
IPHPHENOLA,B2OLD0.72
IPHPHENOLA,B,C,D2PZV0.72
IPHPHENOLA1LI20.72
IPHPHENOLA2J9N0.72
IPHPHENOLA,B,C,D2OMB0.72
IPHPHENOLA1JHX0.72
IPHPHENOLA,B,C,D2VE70.72
IPHPHENOLB,D,E,G,H,J,L1AI00.72
IPHPHENOLA,B,C,D1FOH0.72
IPHPHENOLA1V030.72
IPHPHENOLA,C,E,G,I,K5AIY0.72
IPHPHENOLB,D,F,H,J,L1AIY0.72
IPHPHENOLA,B1XU50.72
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.72
IPHPHENOLA,C,E,G,I,K4AIY0.72
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.72
IPHPHENOLA2AS30.72
IPHPHENOLA,B,C,D1ZEG0.72
IPHPHENOLA,B,C,D1PN00.72
IPHPHENOLA,B,C,D1XW70.72
IPHPHENOLA,C,E,G,I,K,M1QIY0.72
IPHPHENOLA,B,C,D1Q4V0.72
IPHPHENOLB1AI70.72
IPHPHENOLA1FJW0.72
IPHPHENOLB,C,D1RWE0.72
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.72
IPHPHENOLB,C,D3GKY0.72
IPHPHENOLA1JHY0.72
IPHPHENOLA,C,E,G,I,K3AIY0.72
IPHPHENOLA,B2OMN0.72
IPHPHENOLA,C,E,G,I,K2AIY0.72
IPHPHENOLA,B,D1MPJ0.72
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.72
IPHPHENOLB,C,D1LPH0.72
OBPA,B2DE30.73
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E1EZV0.73
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1P840.73
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E2IBZ0.73
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1KB90.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.89
EYK2-tert-butylbenzene-1,4-diolB3EYK0.89
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.74
HC4A1TS60.77
HC4A3PHY0.77
HC4A3PYP0.77
HC4A1T1C0.77
HC4A1OT60.77
HC4A1TS00.77
HC4A1T1A0.77
HC4A2PYP0.77
HC4A2ZOI0.77
HC4A1OTI0.77
HC4A1XFQ0.77
HC4A2D010.77
HC4A,B,C,D,E,F,
G,H
2O7B0.77
HC4A2ZOH0.77
HC4A1GSW0.77
HC4A2QJ70.77
HC4A1F9I0.77
HC4X1UWP0.77
HC4A2PHY0.77
HC4A1T1B0.77
HC4A1F980.77
HC4A1T190.77
HC4X1UWN0.77
HC4A,B,C,D,E,F,
G,H
2O7F0.77
HC4A1UGU0.77
HC4A1TS80.77
HC4A,B1OTD0.77
HC4A1OTE0.77
HC4A1GSX0.77
HC4A1TS70.77
HC4A2PYR0.77
HC4A1S4S0.77
HC4A1GSV0.77
HC4A2I9V0.77
HC4A2QWS0.77
HC4A1XFN0.77
HC4A1S4R0.77
HC4A1T180.77
HC4A1OTA0.77
HC4A1D7E0.77
HC4A1S1Z0.77
HC4A,B,C1MZU0.77
HC4A,B1ODV0.77
HC4A,B2J3J0.77
HC4A2QJ50.77
HC4A1OTB0.77
HC4A2D020.77
HC4A1OT90.77
HC4A1NWZ0.77
HC4A1S1Y0.77
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.9
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.9
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.86
DESDIETHYLSTILBESTROLA,B3ERD0.86
DESDIETHYLSTILBESTROLA,B1TT60.86
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.86
EQUEQUILENINA,B1OGX0.75
EQUEQUILENINA,B,C,D,E,F1QJG0.75
EQUEQUILENINA,B1OH00.75
EQUEQUILENINA1W6Y0.75
EQUEQUILENINA,B1CQS0.75
EQUEQUILENINA1OGZ0.75
EQUEQUILENINA1GS30.75
EQUEQUILENINA1OHO0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.75
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.75
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
2612-ethoxyphenolX2RB10.7
2LP2-ALLYLPHENOLA1OV50.82
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.79
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.79
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.82
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.76
2MP3,4-DIMETHYLPHENOLA1L5O0.86
TY33-HYDROXY-L-TYROSINEA,B2VH30.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.92
ESLESTRIOLA1X8V0.82
OXNOXTOXYNOL-10A1IKT0.77
OXNOXTOXYNOL-10A,B2Q320.77
OXNOXTOXYNOL-10A,B1UEH0.77
OXNOXTOXYNOL-10A,B2D4Q0.77
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.78
ALEL-EPINEPHRINEA3PAH0.73
ALEL-EPINEPHRINEA2HKK0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.86
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.77
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.77
142CARBIDOPAA,B1JS30.7
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.72
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.72
ANFANTHRONEH2BJM0.75
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.7
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.8
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.76
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.73
PCRP-CRESOLA1JHV0.82
PCRP-CRESOLA1JHU0.82
PCRP-CRESOLA,B,C,D1DIQ0.82
1NP1-NAPHTHOLX2ZVQ0.79
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.78
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.78
EQIEQUILINA,B1EQU0.78
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
SS11-PHENYLETHANOLH1UM50.73
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.77
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.74
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.83
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.73
LNRL-NOREPINEPHRINEA,B2QEO0.76
LNRL-NOREPINEPHRINEA3DYE0.76
LNRL-NOREPINEPHRINEA4PAH0.76
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.76
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.76
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.83
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.78
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.87
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.76
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
LDPL-DOPAMINEA,B2A3R0.81
LDPL-DOPAMINEA5PAH0.81
LDPL-DOPAMINEA,B2QMZ0.81
LDPL-DOPAMINEA,B2VQ50.81
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.82
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.82
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.82
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.82
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.82
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.82
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.82
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.82
MBD3-METHYLCATECHOLA1KNF0.9
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.85
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.89
MCT4-METHYLCATECHOLA1L4G0.91
MCT4-METHYLCATECHOLA2EHZ0.91
MCT4-METHYLCATECHOLA,B1DMH0.91
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.82
CRSM-CRESOLA,B,C,D1EV30.83
CRSM-CRESOLA,B,C,D,E,F2OMG0.83
CRSM-CRESOLA,B1UZ90.83
CRSM-CRESOLA,B,C,D1ZEH0.83
CRSM-CRESOLA,B,C,D,E,F1ZEI0.83
CRSM-CRESOLA,C,D,E7INS0.83
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.83
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
ESOO3-PHOSPHONOESTRONEB,C1ESS0.7
AEF4-(2-aminoethyl)phenolA3BRA0.74
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.77
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.83
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.75
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.76
4HP4-HYDROXYPHENYLACETATEA2YYJ0.76
4HP4-HYDROXYPHENYLACETATEA2YYM0.76
4HP4-HYDROXYPHENYLACETATEB1AI60.76
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.76
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.7
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.78
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.8
ESTESTRADIOLA,B1GWR0.81
ESTESTRADIOLA1FDS0.81
ESTESTRADIOLA,B,C1G500.81
ESTESTRADIOLA,B,C,D,E,F1ERE0.81
ESTESTRADIOLA,B1A520.81
ESTESTRADIOLA1FDT0.81
ESTESTRADIOLA2OCF0.81
ESTESTRADIOLA,B,C1QKU0.81
ESTESTRADIOLA,B,C,D,L1E6W0.81
ESTESTRADIOLA1IOL0.81
ESTESTRADIOLH1JNN0.81
ESTESTRADIOLB1QKT0.81
ESTESTRADIOLA1FDW0.81
ESTESTRADIOLA,B1AQU0.81
ESTESTRADIOLA1LHU0.81
ESTESTRADIOLA1A270.81
ESTESTRADIOLL1JGL0.81
ESTESTRADIOLA,B,E,F1PCG0.81
ESTESTRADIOLA,B,C,D1FDU0.81
ESTESTRADIOLA2J7X0.81
ESTESTRADIOLA,B2D060.81
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.7
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.84
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.83
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.88
SXXSINAPINATEA,B1WB40.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.79
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.8
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
BPYBIPHENYL-2,3-DIOLA1KMY0.9
BPYBIPHENYL-2,3-DIOLB1KW80.9
BPYBIPHENYL-2,3-DIOLA2EI30.9
BPYBIPHENYL-2,3-DIOLA1EIR0.9
BPYBIPHENYL-2,3-DIOLB1KW60.9
BPYBIPHENYL-2,3-DIOLB1KWC0.9
BPYBIPHENYL-2,3-DIOLB1KW90.9
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.71
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.71
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.78
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.73
MAXMATAIRESINOLA2BGM0.74
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.75
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.83
DHCCAFFEIC ACIDA1KOU0.83
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.71
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.77
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.73
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
CAQCATECHOLB2BUY0.78
CAQCATECHOLA1KND0.78
CAQCATECHOLB2BUQ0.78
CAQCATECHOLA,B1DLT0.78
CAQCATECHOLA1XEP0.78
CAQCATECHOLA2PUM0.78
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.79
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.79
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.79
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.79
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.75
D1NNAPHTHALENE-1,2-DIOLA2EI10.86
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
ETY4-ethylphenolA,B,C,D2RA60.84
EPTHEPTANYL-P-PHENOLA,B1AHZ0.87
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.82
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.82
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.82
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
STLRESVERATROLA,B3CKL0.78
STLRESVERATROLA,B,C,D1U0W0.78
STLRESVERATROLA1CGZ0.78
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.78
STLRESVERATROLA1Z1F0.78
STLRESVERATROLA1DVS0.78
STLRESVERATROLA,B1SG00.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.79
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.81
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.75