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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023858

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.79
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.75
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.72
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.83
FP22-fluorophenolA3CPO0.77
MBD3-METHYLCATECHOLA1KNF0.85
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.73
STLRESVERATROLA,B3CKL0.82
STLRESVERATROLA,B,C,D1U0W0.82
STLRESVERATROLA1CGZ0.82
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.82
STLRESVERATROLA1Z1F0.82
STLRESVERATROLA1DVS0.82
STLRESVERATROLA,B1SG00.82
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.73
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.93
EQIEQUILINA,B1EQU0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.87
2CH2-CHLOROPHENOLA1WBO0.7
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.72
SAL2-HYDROXYBENZOIC ACIDA2I300.72
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.72
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.72
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.72
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.72
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.72
SAL2-HYDROXYBENZOIC ACIDA1WYG0.72
SAL2-HYDROXYBENZOIC ACIDA1JGS0.72
SAL2-HYDROXYBENZOIC ACIDX1M6E0.72
SAL2-HYDROXYBENZOIC ACIDA3B9M0.72
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.72
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.72
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.84
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.78
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.81
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.79
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.82
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.73
LDPL-DOPAMINEA,B2A3R0.77
LDPL-DOPAMINEA5PAH0.77
LDPL-DOPAMINEA,B2QMZ0.77
LDPL-DOPAMINEA,B2VQ50.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.84
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.8
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.75
CRSM-CRESOLA,B,C,D1EV30.89
CRSM-CRESOLA,B,C,D,E,F2OMG0.89
CRSM-CRESOLA,B1UZ90.89
CRSM-CRESOLA,B,C,D1ZEH0.89
CRSM-CRESOLA,B,C,D,E,F1ZEI0.89
CRSM-CRESOLA,C,D,E7INS0.89
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.89
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.77
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.72
ETY4-ethylphenolA,B,C,D2RA60.94
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.75
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.75
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.75
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.75
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,B1JP30.75
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
A2W220.75
HBAP-HYDROXYBENZALDEHYDEA1K030.77
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.77
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.77
HBAP-HYDROXYBENZALDEHYDEA2GQ90.77
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.77
HBAP-HYDROXYBENZALDEHYDEA1OYB0.77
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.71
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.72
HTS2-MERCAPTOPHENOLA2OSM0.72
TYBTYROSINALA,B1KDZ0.76
TYBTYROSINALA1Q110.76
TYBTYROSINALA,B2J5B0.76
TYBTYROSINALA,I1GA40.76
TYBTYROSINALA,B,C1NLU0.76
TYBTYROSINALA,B1KE10.76
TYBTYROSINALA,B1H3F0.76
TYBTYROSINALA,B1H3E0.76
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.82
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.7
2682-phenoxyethanolA2RBR0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.91
DESDIETHYLSTILBESTROLA,B3ERD0.91
DESDIETHYLSTILBESTROLA,B1TT60.91
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.91
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.7
SXXSINAPINATEA,B1WB40.7
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.78
DHCCAFFEIC ACIDA1KOU0.78
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.7
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
ESLESTRIOLA1X8V0.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.8
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.8
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.86
EYK2-tert-butylbenzene-1,4-diolB3EYK0.86
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.71
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.7
RSOR-STYRENE OXIDEA,B1PWZ0.77
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.82
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.82
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.82
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.79
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.86
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.76
OXNOXTOXYNOL-10A1IKT0.75
OXNOXTOXYNOL-10A,B2Q320.75
OXNOXTOXYNOL-10A,B1UEH0.75
OXNOXTOXYNOL-10A,B2D4Q0.75
2612-ethoxyphenolX2RB10.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.84
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.77
ALEL-EPINEPHRINEA3PAH0.72
ALEL-EPINEPHRINEA2HKK0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.87
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.87
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,D1Y0G0.89
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.77
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.77
43M4-CHLORO-3-METHYLPHENOLA2P7A0.78
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.78
PSYphenyl ethenesulfonateA3BM80.7
PSYphenyl ethenesulfonateA3BLT0.7
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.84
4HP4-HYDROXYPHENYLACETATEA2YYJ0.84
4HP4-HYDROXYPHENYLACETATEA2YYM0.84
4HP4-HYDROXYPHENYLACETATEB1AI60.84
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.84
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.87
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.85
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.85
SMN(S)-MANDELIC ACIDA1MDL0.73
ZTWRALOXIFENE COREA,B1GWQ0.7
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.73
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.71
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.77
1NP1-NAPHTHOLX2ZVQ0.81
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.72
SS11-PHENYLETHANOLH1UM50.85
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.79
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.74
PHQFORMIC ACID BENZYL ESTERA1KJO0.74
PHQFORMIC ACID BENZYL ESTERI2CDR0.74
PHQFORMIC ACID BENZYL ESTERI2C1E0.74
PHQFORMIC ACID BENZYL ESTERI5PAD0.74
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.74
PHQFORMIC ACID BENZYL ESTERA2CNO0.74
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.74
PHQFORMIC ACID BENZYL ESTERI2AZ90.74
PHQFORMIC ACID BENZYL ESTERI2C2K0.74
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.74
PHQFORMIC ACID BENZYL ESTERA1KJP0.74
PHQFORMIC ACID BENZYL ESTERI2C2M0.74
PHQFORMIC ACID BENZYL ESTERI2AZB0.74
PHQFORMIC ACID BENZYL ESTERA9HVP0.74
PHQFORMIC ACID BENZYL ESTERA1ESB0.74
PHQFORMIC ACID BENZYL ESTERE,F1DY80.74
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.74
PHQFORMIC ACID BENZYL ESTERI1GEC0.74
PHQFORMIC ACID BENZYL ESTERA1KS70.74
PHQFORMIC ACID BENZYL ESTERC1A8G0.74
PHQFORMIC ACID BENZYL ESTERA1KKK0.74
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.74
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.74
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.74
PHQFORMIC ACID BENZYL ESTERA1KTO0.74
PHQFORMIC ACID BENZYL ESTERA,C1TG10.74
PHQFORMIC ACID BENZYL ESTERI2AZ80.74
PHQFORMIC ACID BENZYL ESTERA,B2G580.74
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.74
PHQFORMIC ACID BENZYL ESTERI2CJY0.74
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.74
PHQFORMIC ACID BENZYL ESTERA1KR60.74
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.74
PHQFORMIC ACID BENZYL ESTERA1KRO0.74
PHQFORMIC ACID BENZYL ESTERI2CNN0.74
PHQFORMIC ACID BENZYL ESTERI2C2O0.74
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.74
PHQFORMIC ACID BENZYL ESTERA,B1THE0.74
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.74
PHQFORMIC ACID BENZYL ESTERE,I5EST0.74
PHQFORMIC ACID BENZYL ESTERI2CNK0.74
PHQFORMIC ACID BENZYL ESTERA1KL60.74
PHQFORMIC ACID BENZYL ESTERI6PAD0.74
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.73
3HB3-HYDROXYBENZOIC ACIDA2DKH0.73
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.7
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.7
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.79
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.76
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.76
RCORESORCINOLA,B,C,D,E,F2OMH0.76
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.76
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.76
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.76
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.76
LJ33,5-dibromobiphenyl-4-olA,B3CN20.76
OBPA,B2DE30.77
IYR3-IODO-TYROSINEA2D980.71
IYR3-IODO-TYROSINEA2D8P0.71
IYR3-IODO-TYROSINEA,B3GFD0.71
IYR3-IODO-TYROSINEA2R1Q0.71
IYR3-IODO-TYROSINEA2ZP10.71
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.71
IYR3-IODO-TYROSINEC1CF00.71
IYR3-IODO-TYROSINEA1XXZ0.71
IYR3-IODO-TYROSINEA2D970.71
IYR3-IODO-TYROSINEA1XY90.71
IYR3-IODO-TYROSINEA2Z100.71
IYR3-IODO-TYROSINEA1WQ30.71
IYR3-IODO-TYROSINEA2D8O0.71
IYR3-IODO-TYROSINEA2D8W0.71
IYR3-IODO-TYROSINEA2Z110.71
OHT4-HYDROXYTAMOXIFENA3ERT0.74
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.74
OHT4-HYDROXYTAMOXIFENA,B1VJB0.74
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.74
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.74
OHT4-HYDROXYTAMOXIFENA2GPU0.74
OHT4-HYDROXYTAMOXIFENA2P7Z0.74
OHT4-HYDROXYTAMOXIFENA,B2BJ40.74
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.74
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
HC4A1TS60.85
HC4A3PHY0.85
HC4A3PYP0.85
HC4A1T1C0.85
HC4A1OT60.85
HC4A1TS00.85
HC4A1T1A0.85
HC4A2PYP0.85
HC4A2ZOI0.85
HC4A1OTI0.85
HC4A1XFQ0.85
HC4A2D010.85
HC4A,B,C,D,E,F,
G,H
2O7B0.85
HC4A2ZOH0.85
HC4A1GSW0.85
HC4A2QJ70.85
HC4A1F9I0.85
HC4X1UWP0.85
HC4A2PHY0.85
HC4A1T1B0.85
HC4A1F980.85
HC4A1T190.85
HC4X1UWN0.85
HC4A,B,C,D,E,F,
G,H
2O7F0.85
HC4A1UGU0.85
HC4A1TS80.85
HC4A,B1OTD0.85
HC4A1OTE0.85
HC4A1GSX0.85
HC4A1TS70.85
HC4A2PYR0.85
HC4A1S4S0.85
HC4A1GSV0.85
HC4A2I9V0.85
HC4A2QWS0.85
HC4A1XFN0.85
HC4A1S4R0.85
HC4A1T180.85
HC4A1OTA0.85
HC4A1D7E0.85
HC4A1S1Z0.85
HC4A,B,C1MZU0.85
HC4A,B1ODV0.85
HC4A,B2J3J0.85
HC4A2QJ50.85
HC4A1OTB0.85
HC4A2D020.85
HC4A1OT90.85
HC4A1NWZ0.85
HC4A1S1Y0.85
AEF4-(2-aminoethyl)phenolA3BRA0.81
ANFANTHRONEH2BJM0.76
ESTESTRADIOLA,B1GWR0.79
ESTESTRADIOLA1FDS0.79
ESTESTRADIOLA,B,C1G500.79
ESTESTRADIOLA,B,C,D,E,F1ERE0.79
ESTESTRADIOLA,B1A520.79
ESTESTRADIOLA1FDT0.79
ESTESTRADIOLA2OCF0.79
ESTESTRADIOLA,B,C1QKU0.79
ESTESTRADIOLA,B,C,D,L1E6W0.79
ESTESTRADIOLA1IOL0.79
ESTESTRADIOLH1JNN0.79
ESTESTRADIOLB1QKT0.79
ESTESTRADIOLA1FDW0.79
ESTESTRADIOLA,B1AQU0.79
ESTESTRADIOLA1LHU0.79
ESTESTRADIOLA1A270.79
ESTESTRADIOLL1JGL0.79
ESTESTRADIOLA,B,E,F1PCG0.79
ESTESTRADIOLA,B,C,D1FDU0.79
ESTESTRADIOLA2J7X0.79
ESTESTRADIOLA,B2D060.79
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.81
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.81
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.81
3CH3-CHLOROPHENOLA1LI30.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.84
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.8
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.74
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.85
FFP2,6-DIFLUOROPHENOLA2INX0.75
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.77
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
AC6P-HYDROXYACETOPHENONEA2GQ80.8
AC6P-HYDROXYACETOPHENONEX2O480.8
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.73
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.77
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.73
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.76
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.72
LNRL-NOREPINEPHRINEA,B2QEO0.75
LNRL-NOREPINEPHRINEA3DYE0.75
LNRL-NOREPINEPHRINEA4PAH0.75
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
FPN4-FLUOROPHENOLA,B1XVD0.77
RMN(R)-MANDELIC ACIDA1MDL0.73
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.76
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.74
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.78
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.72
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.72
2LP2-ALLYLPHENOLA1OV50.92
PHBP-HYDROXYBENZOIC ACIDA1CJ40.74
PHBP-HYDROXYBENZOIC ACIDA1DOB0.74
PHBP-HYDROXYBENZOIC ACIDA1PXB0.74
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.74
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.74
PHBP-HYDROXYBENZOIC ACIDA1IUV0.74
PHBP-HYDROXYBENZOIC ACIDA1PBE0.74
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.74
PHBP-HYDROXYBENZOIC ACIDA1PDH0.74
PHBP-HYDROXYBENZOIC ACIDB2BUW0.74
PHBP-HYDROXYBENZOIC ACIDA1CC40.74
PHBP-HYDROXYBENZOIC ACIDA1CC60.74
PHBP-HYDROXYBENZOIC ACIDA1IUW0.74
PHBP-HYDROXYBENZOIC ACIDA1FW90.74
PHBP-HYDROXYBENZOIC ACIDA1G810.74
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.74
PHBP-HYDROXYBENZOIC ACIDA1IUX0.74
PHBP-HYDROXYBENZOIC ACIDA1CJ30.74
PHBP-HYDROXYBENZOIC ACIDA1D7L0.74
PHBP-HYDROXYBENZOIC ACIDA2PHH0.74
PHBP-HYDROXYBENZOIC ACIDA1BGN0.74
PHBP-HYDROXYBENZOIC ACIDA1PXA0.74
PHBP-HYDROXYBENZOIC ACIDA1DOC0.74
PHBP-HYDROXYBENZOIC ACIDA1K0I0.74
PHBP-HYDROXYBENZOIC ACIDA1BKW0.74
PHBP-HYDROXYBENZOIC ACIDA1JD30.74
PHBP-HYDROXYBENZOIC ACIDA1PXC0.74
PHBP-HYDROXYBENZOIC ACIDA1TT80.74
PHBP-HYDROXYBENZOIC ACIDA1CJ20.74
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.74
PHBP-HYDROXYBENZOIC ACIDA1BF30.74
PHBP-HYDROXYBENZOIC ACIDB2BUR0.74
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.79
MCT4-METHYLCATECHOLA1L4G0.86
MCT4-METHYLCATECHOLA2EHZ0.86
MCT4-METHYLCATECHOLA,B1DMH0.86
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.8
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.8
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.77
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.75
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.79
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.7
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.76
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.86
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.73
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.75
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.71
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
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.76
PCRP-CRESOLA1JHV0.92
PCRP-CRESOLA1JHU0.92
PCRP-CRESOLA,B,C,D1DIQ0.92
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.78
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.87
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.75
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.81
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.81
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.81
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.81
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.81
BML4-BROMOPHENOLA,B,E3DHH0.72
BML4-BROMOPHENOLA,B1XU30.72
BML4-BROMOPHENOLA,B1T0S0.72
IOL4-IODOPHENOLA,B1EWA0.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.9
OBZO-benzylhydroxylamineA,B3DTH0.75
OBZO-benzylhydroxylamineA,B3DTG0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.82
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.72
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.85
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.85
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.76
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.74
CAQCATECHOLB2BUY0.77
CAQCATECHOLA1KND0.77
CAQCATECHOLB2BUQ0.77
CAQCATECHOLA,B1DLT0.77
CAQCATECHOLA1XEP0.77
CAQCATECHOLA2PUM0.77
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.74
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.9
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.73
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.78
BPYBIPHENYL-2,3-DIOLA1KMY0.82
BPYBIPHENYL-2,3-DIOLB1KW80.82
BPYBIPHENYL-2,3-DIOLA2EI30.82
BPYBIPHENYL-2,3-DIOLA1EIR0.82
BPYBIPHENYL-2,3-DIOLB1KW60.82
BPYBIPHENYL-2,3-DIOLB1KWC0.82
BPYBIPHENYL-2,3-DIOLB1KW90.82
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.81
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.81
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.8
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.8
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.81
341(3,5-difluorophenyl)methanolC3EON0.76
PEL2-PHENYL-ETHANOLA,B1I0D0.78
PEL2-PHENYL-ETHANOLD,H2I0T0.78
PEL2-PHENYL-ETHANOLA,B1HZY0.78
PEL2-PHENYL-ETHANOLA,B1I0B0.78
PEL2-PHENYL-ETHANOLA1EYW0.78
PEL2-PHENYL-ETHANOLA,B1JGM0.78
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.76
IPHPHENOLA,B2OLD0.8
IPHPHENOLA,B,C,D2PZV0.8
IPHPHENOLA1LI20.8
IPHPHENOLA2J9N0.8
IPHPHENOLA,B,C,D2OMB0.8
IPHPHENOLA1JHX0.8
IPHPHENOLA,B,C,D2VE70.8
IPHPHENOLB,D,E,G,H,J,L1AI00.8
IPHPHENOLA,B,C,D1FOH0.8
IPHPHENOLA1V030.8
IPHPHENOLA,C,E,G,I,K5AIY0.8
IPHPHENOLB,D,F,H,J,L1AIY0.8
IPHPHENOLA,B1XU50.8
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.8
IPHPHENOLA,C,E,G,I,K4AIY0.8
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.8
IPHPHENOLA2AS30.8
IPHPHENOLA,B,C,D1ZEG0.8
IPHPHENOLA,B,C,D1PN00.8
IPHPHENOLA,B,C,D1XW70.8
IPHPHENOLA,C,E,G,I,K,M1QIY0.8
IPHPHENOLA,B,C,D1Q4V0.8
IPHPHENOLB1AI70.8
IPHPHENOLA1FJW0.8
IPHPHENOLB,C,D1RWE0.8
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.8
IPHPHENOLB,C,D3GKY0.8
IPHPHENOLA1JHY0.8
IPHPHENOLA,C,E,G,I,K3AIY0.8
IPHPHENOLA,B2OMN0.8
IPHPHENOLA,C,E,G,I,K2AIY0.8
IPHPHENOLA,B,D1MPJ0.8
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.8
IPHPHENOLB,C,D1LPH0.8
SS2(1R)-1-PHENYLETHANOLA1ZK00.85
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.85
SS2(1R)-1-PHENYLETHANOLA1ZJY0.85
DTYD-TYROSINEA1C4B0.73
DTYD-TYROSINEA,L1ZEA0.73
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.73
DTYD-TYROSINEA,B1UNO0.73
DTYD-TYROSINEA2IGZ0.73
DTYD-TYROSINEA,B,C,H,K,L2R5D0.73
DTYD-TYROSINEA,B2Q330.73
DTYD-TYROSINEH,S2H9E0.73
DTYD-TYROSINEA,B,C,H,K,L2R5B0.73
DTYD-TYROSINEA2IH00.73
DTYD-TYROSINEA1D7T0.73
DTYD-TYROSINEA,B1XA00.73
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.75
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.81
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.81
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.81