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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233649

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.73
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.76
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.73
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.78
BPYBIPHENYL-2,3-DIOLB1KW80.78
BPYBIPHENYL-2,3-DIOLA2EI30.78
BPYBIPHENYL-2,3-DIOLA1EIR0.78
BPYBIPHENYL-2,3-DIOLB1KW60.78
BPYBIPHENYL-2,3-DIOLB1KWC0.78
BPYBIPHENYL-2,3-DIOLB1KW90.78
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.77
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.77
SAL2-HYDROXYBENZOIC ACIDA2I300.77
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.77
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.77
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.77
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.77
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.77
SAL2-HYDROXYBENZOIC ACIDA1WYG0.77
SAL2-HYDROXYBENZOIC ACIDA1JGS0.77
SAL2-HYDROXYBENZOIC ACIDX1M6E0.77
SAL2-HYDROXYBENZOIC ACIDA3B9M0.77
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.77
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.77
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.77
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.81
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.79
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.83
BEZBENZOIC ACIDA,B2F8D0.73
BEZBENZOIC ACIDA,B1A8U0.73
BEZBENZOIC ACIDA,B1REE0.73
BEZBENZOIC ACIDA1L7Q0.73
BEZBENZOIC ACIDA1I690.73
BEZBENZOIC ACIDH,L1RUL0.73
BEZBENZOIC ACIDA,B3CCF0.73
BEZBENZOIC ACIDA1W9Q0.73
BEZBENZOIC ACIDA,B,G,J2DU80.73
BEZBENZOIC ACIDH,L1RUA0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.73
BEZBENZOIC ACIDH,L1RU90.73
BEZBENZOIC ACIDA,B,C,D2V320.73
BEZBENZOIC ACIDA2QMQ0.73
BEZBENZOIC ACIDA1UKB0.73
BEZBENZOIC ACIDA,B1RED0.73
BEZBENZOIC ACIDA,B1OC30.73
BEZBENZOIC ACIDA,B1REF0.73
BEZBENZOIC ACIDA,B2O020.73
BEZBENZOIC ACIDA,B2VJ10.73
BEZBENZOIC ACIDA,B,C1WSP0.73
BEZBENZOIC ACIDA1HZ40.73
BEZBENZOIC ACIDA2Q380.73
BEZBENZOIC ACIDA,B,C,D1UUJ0.73
BEZBENZOIC ACIDA,B2QL80.73
BEZBENZOIC ACIDA2Q0I0.73
BEZBENZOIC ACIDA,B1S8F0.73
BEZBENZOIC ACIDD,E,F,G,H1DJR0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.73
BEZBENZOIC ACIDA,B,C,D1I7Q0.73
BEZBENZOIC ACIDA,B,C,D2RHM0.73
BEZBENZOIC ACIDA,B2F780.73
BEZBENZOIC ACIDA,B2VL20.73
BEZBENZOIC ACIDA1HD20.73
BEZBENZOIC ACIDA1JU40.73
BEZBENZOIC ACIDH,L2AJY0.73
BEZBENZOIC ACIDA,B,C3GV10.73
BEZBENZOIC ACIDA2Q6U0.73
BEZBENZOIC ACIDA,B1VE90.73
BEZBENZOIC ACIDA,B1S9A0.73
BEZBENZOIC ACIDH,L,M1OP30.73
BEZBENZOIC ACIDA1W9E0.73
BEZBENZOIC ACIDA,B,C,D2V2G0.73
BEZBENZOIC ACIDH,L2AK10.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.73
BEZBENZOIC ACIDA,B1GYX0.73
BEZBENZOIC ACIDA1V1T0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.73
BEZBENZOIC ACIDA,B1HKQ0.73
BEZBENZOIC ACIDH,L1RUK0.73
BEZBENZOIC ACIDA2Q1B0.73
BEZBENZOIC ACIDH,L1RUM0.73
BEZBENZOIC ACIDA,B2F7A0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.73
BEZBENZOIC ACIDA,B2V7B0.73
BEZBENZOIC ACIDH1NCW0.73
BEZBENZOIC ACIDA,B1TMX0.73
BEZBENZOIC ACIDA1URM0.73
BEZBENZOIC ACIDA1W9O0.73
BEZBENZOIC ACIDA,B,C,D1GXS0.73
BEZBENZOIC ACIDH1RUP0.73
BEZBENZOIC ACIDA,B,C,D1KQB0.73
BEZBENZOIC ACIDA2Q9R0.73
BEZBENZOIC ACIDD,H2OK60.73
BEZBENZOIC ACIDA,B2Q0J0.73
ETY4-ethylphenolA,B,C,D2RA60.76
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.73
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.74
FLVFLAVIOLINA1ZDW0.71
FLVFLAVIOLINA1T930.71
FLVFLAVIOLINA2D090.71
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.7
SYRSYRINGATEA,B1WB50.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
HC4A1TS60.86
HC4A3PHY0.86
HC4A3PYP0.86
HC4A1T1C0.86
HC4A1OT60.86
HC4A1TS00.86
HC4A1T1A0.86
HC4A2PYP0.86
HC4A2ZOI0.86
HC4A1OTI0.86
HC4A1XFQ0.86
HC4A2D010.86
HC4A,B,C,D,E,F,
G,H
2O7B0.86
HC4A2ZOH0.86
HC4A1GSW0.86
HC4A2QJ70.86
HC4A1F9I0.86
HC4X1UWP0.86
HC4A2PHY0.86
HC4A1T1B0.86
HC4A1F980.86
HC4A1T190.86
HC4X1UWN0.86
HC4A,B,C,D,E,F,
G,H
2O7F0.86
HC4A1UGU0.86
HC4A1TS80.86
HC4A,B1OTD0.86
HC4A1OTE0.86
HC4A1GSX0.86
HC4A1TS70.86
HC4A2PYR0.86
HC4A1S4S0.86
HC4A1GSV0.86
HC4A2I9V0.86
HC4A2QWS0.86
HC4A1XFN0.86
HC4A1S4R0.86
HC4A1T180.86
HC4A1OTA0.86
HC4A1D7E0.86
HC4A1S1Z0.86
HC4A,B,C1MZU0.86
HC4A,B1ODV0.86
HC4A,B2J3J0.86
HC4A2QJ50.86
HC4A1OTB0.86
HC4A2D020.86
HC4A1OT90.86
HC4A1NWZ0.86
HC4A1S1Y0.86
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.71
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.75
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.75
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.75
142CARBIDOPAA,B1JS30.74
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.73
8CM8-HYDROXYCOUMARINA2H8Z0.76
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.8
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.73
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.73
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.81
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.82
KOM7,8-dihydroxy-4-phenyl-2H-chromen-
2-one
A2ZVJ0.71
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.77
MCT4-METHYLCATECHOLA1L4G0.83
MCT4-METHYLCATECHOLA2EHZ0.83
MCT4-METHYLCATECHOLA,B1DMH0.83
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.83
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.83
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.83
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
EQIEQUILINA,B1EQU0.7
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.73
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.78
LDPL-DOPAMINEA,B2A3R0.74
LDPL-DOPAMINEA5PAH0.74
LDPL-DOPAMINEA,B2QMZ0.74
LDPL-DOPAMINEA,B2VQ50.74
YOF3-FLUOROTYROSINEA,B1XIL0.7
YOF3-FLUOROTYROSINEA,B1XDC0.7
YOF3-FLUOROTYROSINEA1RRX0.7
YOF3-FLUOROTYROSINEA,B3FYG0.7
PHBP-HYDROXYBENZOIC ACIDA1CJ40.79
PHBP-HYDROXYBENZOIC ACIDA1DOB0.79
PHBP-HYDROXYBENZOIC ACIDA1PXB0.79
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.79
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.79
PHBP-HYDROXYBENZOIC ACIDA1IUV0.79
PHBP-HYDROXYBENZOIC ACIDA1PBE0.79
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.79
PHBP-HYDROXYBENZOIC ACIDA1PDH0.79
PHBP-HYDROXYBENZOIC ACIDB2BUW0.79
PHBP-HYDROXYBENZOIC ACIDA1CC40.79
PHBP-HYDROXYBENZOIC ACIDA1CC60.79
PHBP-HYDROXYBENZOIC ACIDA1IUW0.79
PHBP-HYDROXYBENZOIC ACIDA1FW90.79
PHBP-HYDROXYBENZOIC ACIDA1G810.79
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.79
PHBP-HYDROXYBENZOIC ACIDA1IUX0.79
PHBP-HYDROXYBENZOIC ACIDA1CJ30.79
PHBP-HYDROXYBENZOIC ACIDA1D7L0.79
PHBP-HYDROXYBENZOIC ACIDA2PHH0.79
PHBP-HYDROXYBENZOIC ACIDA1BGN0.79
PHBP-HYDROXYBENZOIC ACIDA1PXA0.79
PHBP-HYDROXYBENZOIC ACIDA1DOC0.79
PHBP-HYDROXYBENZOIC ACIDA1K0I0.79
PHBP-HYDROXYBENZOIC ACIDA1BKW0.79
PHBP-HYDROXYBENZOIC ACIDA1JD30.79
PHBP-HYDROXYBENZOIC ACIDA1PXC0.79
PHBP-HYDROXYBENZOIC ACIDA1TT80.79
PHBP-HYDROXYBENZOIC ACIDA1CJ20.79
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.79
PHBP-HYDROXYBENZOIC ACIDA1BF30.79
PHBP-HYDROXYBENZOIC ACIDB2BUR0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.77
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.77
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.77
MTYMETA-TYROSINEA2TOH0.72
MTYMETA-TYROSINEA,B1BIQ0.72
MTYMETA-TYROSINEA1Q7O0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.86
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.86
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.86
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.86
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.85
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.85
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.76
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.76
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,D1Y0G0.71
TY33-HYDROXY-L-TYROSINEA,B2VH30.77
VXXVANILLATEA,B1WB60.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.76
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.73
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.8
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.74
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.8
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.94
DHCCAFFEIC ACIDA1KOU0.94
HBAP-HYDROXYBENZALDEHYDEA1K030.76
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.76
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.76
HBAP-HYDROXYBENZALDEHYDEA2GQ90.76
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.76
HBAP-HYDROXYBENZALDEHYDEA1OYB0.76
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.74
CAQCATECHOLB2BUY0.73
CAQCATECHOLA1KND0.73
CAQCATECHOLB2BUQ0.73
CAQCATECHOLA,B1DLT0.73
CAQCATECHOLA1XEP0.73
CAQCATECHOLA2PUM0.73
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.72
DTYD-TYROSINEA1C4B0.72
DTYD-TYROSINEA,L1ZEA0.72
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.72
DTYD-TYROSINEA,B1UNO0.72
DTYD-TYROSINEA2IGZ0.72
DTYD-TYROSINEA,B,C,H,K,L2R5D0.72
DTYD-TYROSINEA,B2Q330.72
DTYD-TYROSINEH,S2H9E0.72
DTYD-TYROSINEA,B,C,H,K,L2R5B0.72
DTYD-TYROSINEA2IH00.72
DTYD-TYROSINEA1D7T0.72
DTYD-TYROSINEA,B1XA00.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.8
AC6P-HYDROXYACETOPHENONEX2O480.8
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.8
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.77
SXXSINAPINATEA,B1WB40.79
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.84
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.84
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.84
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.84
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.84
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.87
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.87
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.87
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.87
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.87
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.87
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.87
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.87
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.87
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.87
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.87
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.87
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.77
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.77
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.8
34D3,5-DIHYDROXYBENZOATEA,B2BX70.79
2LP2-ALLYLPHENOLA1OV50.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.76
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID
A2OFF0.75
SMN(S)-MANDELIC ACIDA1MDL0.71
FHIA,B1Y1D0.7
2MP3,4-DIMETHYLPHENOLA1L5O0.76
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.79
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.71
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.71
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.71
OSB2-SUCCINYLBENZOATEA1FHV0.77
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.77
OSB2-SUCCINYLBENZOATEA,B2QVH0.77
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.72
MBD3-METHYLCATECHOLA1KNF0.81
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.83
3HB3-HYDROXYBENZOIC ACIDA2DKH0.83
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.76
PHTPHTHALIC ACIDA,B,C2B7P0.74
PHTPHTHALIC ACIDA3C2V0.74
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.74
PHTPHTHALIC ACIDA,B3C2R0.74
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.84
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.84
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
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.82
4HP4-HYDROXYPHENYLACETATEA2YYJ0.82
4HP4-HYDROXYPHENYLACETATEA2YYM0.82
4HP4-HYDROXYPHENYLACETATEB1AI60.82
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.82
MAXMATAIRESINOLA2BGM0.74
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.73
MBOMERCURIBENZOIC ACIDA2QO80.73
MBOMERCURIBENZOIC ACIDA1LUG0.73
MBOMERCURIBENZOIC ACIDA2HOC0.73
MBOMERCURIBENZOIC ACIDA3EFI0.73
MBOMERCURIBENZOIC ACIDA3BL00.73
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.73
MBOMERCURIBENZOIC ACIDA3CAJ0.73
MBOMERCURIBENZOIC ACIDA1DR70.73
MBOMERCURIBENZOIC ACIDA2HL40.73
MBOMERCURIBENZOIC ACIDA2GD80.73
MBOMERCURIBENZOIC ACIDA2QP60.73
MBOMERCURIBENZOIC ACIDA2HD60.73
MBOMERCURIBENZOIC ACIDA3C7P0.73
MBOMERCURIBENZOIC ACIDA,B2JHN0.73
MBOMERCURIBENZOIC ACIDA1DR60.73
MBOMERCURIBENZOIC ACIDA2HNC0.73
MBOMERCURIBENZOIC ACIDA2QOA0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.83
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.83
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.84
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.82
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.82
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.82
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.76
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.72
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.74
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.79
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.79
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.76
CRSM-CRESOLA,B,C,D1EV30.76
CRSM-CRESOLA,B,C,D,E,F2OMG0.76
CRSM-CRESOLA,B1UZ90.76
CRSM-CRESOLA,B,C,D1ZEH0.76
CRSM-CRESOLA,B,C,D,E,F1ZEI0.76
CRSM-CRESOLA,C,D,E7INS0.76
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.76
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.71
IYR3-IODO-TYROSINEA2D980.7
IYR3-IODO-TYROSINEA2D8P0.7
IYR3-IODO-TYROSINEA,B3GFD0.7
IYR3-IODO-TYROSINEA2R1Q0.7
IYR3-IODO-TYROSINEA2ZP10.7
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.7
IYR3-IODO-TYROSINEC1CF00.7
IYR3-IODO-TYROSINEA1XXZ0.7
IYR3-IODO-TYROSINEA2D970.7
IYR3-IODO-TYROSINEA1XY90.7
IYR3-IODO-TYROSINEA2Z100.7
IYR3-IODO-TYROSINEA1WQ30.7
IYR3-IODO-TYROSINEA2D8O0.7
IYR3-IODO-TYROSINEA2D8W0.7
IYR3-IODO-TYROSINEA2Z110.7
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.72