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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02305360

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
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.75
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.74
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.82
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.82
PG9D-PHENYLGLYCINEA,B,G,H10GS0.7
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
SS11-PHENYLETHANOLH1UM50.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.77
IBPIBUPROFENA3FKX0.85
IBPIBUPROFENA,B2BXG0.85
IBPIBUPROFENA,B1EQG0.85
IBPIBUPROFENA,B,C2WD90.85
IBPIBUPROFENA2PWS0.85
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
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.83
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.81
26CA,B2F7I0.8
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.73
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.7
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.7
MNN(S)-MANDELIC ACID NITRILEA1YB60.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.77
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.72
4FCA1YSG0.81
PHTPHTHALIC ACIDA,B,C2B7P0.81
PHTPHTHALIC ACIDA3C2V0.81
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.81
PHTPHTHALIC ACIDA,B3C2R0.81
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.79
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.79
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
4PH4-methyl-L-phenylalanineB,C3BV90.72
DPND-PHENYLALANINEP1MCS0.7
DPND-PHENYLALANINEA1GOE0.7
DPND-PHENYLALANINEA2RM90.7
DPND-PHENYLALANINEA1SOC0.7
DPND-PHENYLALANINEB,C,E,F1SFQ0.7
DPND-PHENYLALANINEI1ABJ0.7
DPND-PHENYLALANINEP1DWE0.7
DPND-PHENYLALANINEI,M1HLT0.7
DPND-PHENYLALANINEA,H,L1J9C0.7
DPND-PHENYLALANINEI,T1TMB0.7
DPND-PHENYLALANINEA2JRY0.7
DPND-PHENYLALANINEA2SOC0.7
DPND-PHENYLALANINEA2YYF0.7
DPND-PHENYLALANINEI2HGT0.7
DPND-PHENYLALANINEA,D2Q3I0.7
DPND-PHENYLALANINEA,P1MCD0.7
DPND-PHENYLALANINEP1HAO0.7
DPND-PHENYLALANINEA,B,I1Z8J0.7
DPND-PHENYLALANINEA,B,C2PGQ0.7
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.7
DPND-PHENYLALANINEP1NRR0.7
DPND-PHENYLALANINEI1PPB0.7
DPND-PHENYLALANINEC,D,G,H1NU70.7
DPND-PHENYLALANINEI2HPP0.7
DPND-PHENYLALANINEB,C2OD30.7
DPND-PHENYLALANINEA1B0Q0.7
DPND-PHENYLALANINEB,C,E,F1NU90.7
DPND-PHENYLALANINEA,B,I1Z8I0.7
DPND-PHENYLALANINEH,I,J1TMU0.7
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.7
DPND-PHENYLALANINEA1GO90.7
DPND-PHENYLALANINEB,C,E,F1A0H0.7
DPND-PHENYLALANINEP1MCF0.7
DPND-PHENYLALANINEA2RME0.7
DPND-PHENYLALANINEH,I1TMT0.7
DPND-PHENYLALANINEI1ABI0.7
DPND-PHENYLALANINER1NRQ0.7
DPND-PHENYLALANINEB,C,F,G2A1D0.7
DPND-PHENYLALANINEA,B2Q330.7
DPND-PHENYLALANINEC,H,L1DAN0.7
DPND-PHENYLALANINEP1MCE0.7
DPND-PHENYLALANINEB,C,E,F2A450.7
DPND-PHENYLALANINEA2RMI0.7
DPND-PHENYLALANINEA,B,I1TQ70.7
DPND-PHENYLALANINEA1W7M0.7
DPND-PHENYLALANINEP1HAP0.7
DPND-PHENYLALANINEA,B1ORF0.7
DPND-PHENYLALANINEI1IHS0.7
DPND-PHENYLALANINEP1MCC0.7
DPND-PHENYLALANINEA2RMD0.7
DPND-PHENYLALANINEA2JQB0.7
DPND-PHENYLALANINEI2HPQ0.7
DPND-PHENYLALANINEC,E,F1SHH0.7
DPND-PHENYLALANINEA,I1CVR0.7
DPND-PHENYLALANINEL,P1AUT0.7
DPND-PHENYLALANINEP1MCI0.7
DPND-PHENYLALANINEH,I3F6U0.7
DPND-PHENYLALANINEA1BFW0.7
DPND-PHENYLALANINEH,I1HAI0.7
DPND-PHENYLALANINEB,C2THF0.7
DPND-PHENYLALANINEI1IHT0.7
DPND-PHENYLALANINEA,P1MCJ0.7
DPND-PHENYLALANINEA1TKH0.7
DPND-PHENYLALANINEC,H,L,T2FIR0.7
DPND-PHENYLALANINEA2FMZ0.7
DPND-PHENYLALANINEA1YL90.7
DPND-PHENYLALANINEI1HUT0.7
DPND-PHENYLALANINEI1FXY0.7
DPND-PHENYLALANINEA1YL80.7
DPND-PHENYLALANINEC,H,L1QFK0.7
DPND-PHENYLALANINEP1MCB0.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.79
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.7
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.75
AC6P-HYDROXYACETOPHENONEA2GQ80.74
AC6P-HYDROXYACETOPHENONEX2O480.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.7
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.78
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.84
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.84
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.72
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.71
FBCA,B2B9A0.8
SMN(S)-MANDELIC ACIDA1MDL0.84
PMAPYROMELLITIC ACIDA,B1FUP0.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.71
MTYMETA-TYROSINEA2TOH0.7
MTYMETA-TYROSINEA,B1BIQ0.7
MTYMETA-TYROSINEA1Q7O0.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.78
EQIEQUILINA,B1EQU0.7
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
HC4A1TS60.74
HC4A3PHY0.74
HC4A3PYP0.74
HC4A1T1C0.74
HC4A1OT60.74
HC4A1TS00.74
HC4A1T1A0.74
HC4A2PYP0.74
HC4A2ZOI0.74
HC4A1OTI0.74
HC4A1XFQ0.74
HC4A2D010.74
HC4A,B,C,D,E,F,
G,H
2O7B0.74
HC4A2ZOH0.74
HC4A1GSW0.74
HC4A2QJ70.74
HC4A1F9I0.74
HC4X1UWP0.74
HC4A2PHY0.74
HC4A1T1B0.74
HC4A1F980.74
HC4A1T190.74
HC4X1UWN0.74
HC4A,B,C,D,E,F,
G,H
2O7F0.74
HC4A1UGU0.74
HC4A1TS80.74
HC4A,B1OTD0.74
HC4A1OTE0.74
HC4A1GSX0.74
HC4A1TS70.74
HC4A2PYR0.74
HC4A1S4S0.74
HC4A1GSV0.74
HC4A2I9V0.74
HC4A2QWS0.74
HC4A1XFN0.74
HC4A1S4R0.74
HC4A1T180.74
HC4A1OTA0.74
HC4A1D7E0.74
HC4A1S1Z0.74
HC4A,B,C1MZU0.74
HC4A,B1ODV0.74
HC4A,B2J3J0.74
HC4A2QJ50.74
HC4A1OTB0.74
HC4A2D020.74
HC4A1OT90.74
HC4A1NWZ0.74
HC4A1S1Y0.74
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.71
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.71
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.71
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.71
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.71
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.84
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.77
YOF3-FLUOROTYROSINEA,B1XIL0.7
YOF3-FLUOROTYROSINEA,B1XDC0.7
YOF3-FLUOROTYROSINEA1RRX0.7
YOF3-FLUOROTYROSINEA,B3FYG0.7
OSB2-SUCCINYLBENZOATEA1FHV0.83
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.83
OSB2-SUCCINYLBENZOATEA,B2QVH0.83
ANN4-METHOXYBENZOIC ACIDA2B960.7
ANN4-METHOXYBENZOIC ACIDA2QUE0.7
ANN4-METHOXYBENZOIC ACIDA1SV30.7
ANN4-METHOXYBENZOIC ACIDA1O2E0.7
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.7
BZSL-BENZYLSUCCINIC ACIDA1CBX0.79
BZSL-BENZYLSUCCINIC ACIDA1HYT0.79
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.79
S1ASORAPHEN AA,B3GID0.72
S1ASORAPHEN AA,B,C1W960.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.84
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.84
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.84
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.84
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.84
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.84
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.74
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.81
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.79
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.79
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.91
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.91
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.91
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.91
BFLA,B1Q4G0.83
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.84
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.73
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.75
MBOMERCURIBENZOIC ACIDA2QO80.82
MBOMERCURIBENZOIC ACIDA1LUG0.82
MBOMERCURIBENZOIC ACIDA2HOC0.82
MBOMERCURIBENZOIC ACIDA3EFI0.82
MBOMERCURIBENZOIC ACIDA3BL00.82
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.82
MBOMERCURIBENZOIC ACIDA3CAJ0.82
MBOMERCURIBENZOIC ACIDA1DR70.82
MBOMERCURIBENZOIC ACIDA2HL40.82
MBOMERCURIBENZOIC ACIDA2GD80.82
MBOMERCURIBENZOIC ACIDA2QP60.82
MBOMERCURIBENZOIC ACIDA2HD60.82
MBOMERCURIBENZOIC ACIDA3C7P0.82
MBOMERCURIBENZOIC ACIDA,B2JHN0.82
MBOMERCURIBENZOIC ACIDA1DR60.82
MBOMERCURIBENZOIC ACIDA2HNC0.82
MBOMERCURIBENZOIC ACIDA2QOA0.82
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.71
HPEHOMOPHENYLALANINEA,B1B1H0.7
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.75
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
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.74
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.72
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.72
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.72
RMN(R)-MANDELIC ACIDA1MDL0.84
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.84
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.71
PHQFORMIC ACID BENZYL ESTERA1KJO0.71
PHQFORMIC ACID BENZYL ESTERI2CDR0.71
PHQFORMIC ACID BENZYL ESTERI2C1E0.71
PHQFORMIC ACID BENZYL ESTERI5PAD0.71
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.71
PHQFORMIC ACID BENZYL ESTERA2CNO0.71
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.71
PHQFORMIC ACID BENZYL ESTERI2AZ90.71
PHQFORMIC ACID BENZYL ESTERI2C2K0.71
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.71
PHQFORMIC ACID BENZYL ESTERA1KJP0.71
PHQFORMIC ACID BENZYL ESTERI2C2M0.71
PHQFORMIC ACID BENZYL ESTERI2AZB0.71
PHQFORMIC ACID BENZYL ESTERA9HVP0.71
PHQFORMIC ACID BENZYL ESTERA1ESB0.71
PHQFORMIC ACID BENZYL ESTERE,F1DY80.71
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.71
PHQFORMIC ACID BENZYL ESTERI1GEC0.71
PHQFORMIC ACID BENZYL ESTERA1KS70.71
PHQFORMIC ACID BENZYL ESTERC1A8G0.71
PHQFORMIC ACID BENZYL ESTERA1KKK0.71
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.71
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.71
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.71
PHQFORMIC ACID BENZYL ESTERA1KTO0.71
PHQFORMIC ACID BENZYL ESTERA,C1TG10.71
PHQFORMIC ACID BENZYL ESTERI2AZ80.71
PHQFORMIC ACID BENZYL ESTERA,B2G580.71
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.71
PHQFORMIC ACID BENZYL ESTERI2CJY0.71
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.71
PHQFORMIC ACID BENZYL ESTERA1KR60.71
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.71
PHQFORMIC ACID BENZYL ESTERA1KRO0.71
PHQFORMIC ACID BENZYL ESTERI2CNN0.71
PHQFORMIC ACID BENZYL ESTERI2C2O0.71
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.71
PHQFORMIC ACID BENZYL ESTERA,B1THE0.71
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.71
PHQFORMIC ACID BENZYL ESTERE,I5EST0.71
PHQFORMIC ACID BENZYL ESTERI2CNK0.71
PHQFORMIC ACID BENZYL ESTERA1KL60.71
PHQFORMIC ACID BENZYL ESTERI6PAD0.71
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.76
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.81
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.81
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.81
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate
A,B2QR90.72
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.75
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
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.78
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.78
PHBP-HYDROXYBENZOIC ACIDA1CJ40.73
PHBP-HYDROXYBENZOIC ACIDA1DOB0.73
PHBP-HYDROXYBENZOIC ACIDA1PXB0.73
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.73
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.73
PHBP-HYDROXYBENZOIC ACIDA1IUV0.73
PHBP-HYDROXYBENZOIC ACIDA1PBE0.73
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.73
PHBP-HYDROXYBENZOIC ACIDA1PDH0.73
PHBP-HYDROXYBENZOIC ACIDB2BUW0.73
PHBP-HYDROXYBENZOIC ACIDA1CC40.73
PHBP-HYDROXYBENZOIC ACIDA1CC60.73
PHBP-HYDROXYBENZOIC ACIDA1IUW0.73
PHBP-HYDROXYBENZOIC ACIDA1FW90.73
PHBP-HYDROXYBENZOIC ACIDA1G810.73
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.73
PHBP-HYDROXYBENZOIC ACIDA1IUX0.73
PHBP-HYDROXYBENZOIC ACIDA1CJ30.73
PHBP-HYDROXYBENZOIC ACIDA1D7L0.73
PHBP-HYDROXYBENZOIC ACIDA2PHH0.73
PHBP-HYDROXYBENZOIC ACIDA1BGN0.73
PHBP-HYDROXYBENZOIC ACIDA1PXA0.73
PHBP-HYDROXYBENZOIC ACIDA1DOC0.73
PHBP-HYDROXYBENZOIC ACIDA1K0I0.73
PHBP-HYDROXYBENZOIC ACIDA1BKW0.73
PHBP-HYDROXYBENZOIC ACIDA1JD30.73
PHBP-HYDROXYBENZOIC ACIDA1PXC0.73
PHBP-HYDROXYBENZOIC ACIDA1TT80.73
PHBP-HYDROXYBENZOIC ACIDA1CJ20.73
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.73
PHBP-HYDROXYBENZOIC ACIDA1BF30.73
PHBP-HYDROXYBENZOIC ACIDB2BUR0.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.82
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.82
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.82
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.83
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.82
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.82
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.74
ETY4-ethylphenolA,B,C,D2RA60.72
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.78
4MA4-METHYLBENZOIC ACIDA,H2HRG0.84
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.83
HCIHYDROCINNAMIC ACIDA,B1TOG0.83
HCIHYDROCINNAMIC ACIDA,B1V2F0.83
HCIHYDROCINNAMIC ACIDA,B1AHX0.83
HCIHYDROCINNAMIC ACIDA1TOI0.83
HCIHYDROCINNAMIC ACIDA,B1AY80.83
HCIHYDROCINNAMIC ACIDA1TOJ0.83
APD3-METHYLPHENYLALANINEA,B,C1GMY0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.71
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.7
BEZBENZOIC ACIDA,B2F8D0.82
BEZBENZOIC ACIDA,B1A8U0.82
BEZBENZOIC ACIDA,B1REE0.82
BEZBENZOIC ACIDA1L7Q0.82
BEZBENZOIC ACIDA1I690.82
BEZBENZOIC ACIDH,L1RUL0.82
BEZBENZOIC ACIDA,B3CCF0.82
BEZBENZOIC ACIDA1W9Q0.82
BEZBENZOIC ACIDA,B,G,J2DU80.82
BEZBENZOIC ACIDH,L1RUA0.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.82
BEZBENZOIC ACIDH,L1RU90.82
BEZBENZOIC ACIDA,B,C,D2V320.82
BEZBENZOIC ACIDA2QMQ0.82
BEZBENZOIC ACIDA1UKB0.82
BEZBENZOIC ACIDA,B1RED0.82
BEZBENZOIC ACIDA,B1OC30.82
BEZBENZOIC ACIDA,B1REF0.82
BEZBENZOIC ACIDA,B2O020.82
BEZBENZOIC ACIDA,B2VJ10.82
BEZBENZOIC ACIDA,B,C1WSP0.82
BEZBENZOIC ACIDA1HZ40.82
BEZBENZOIC ACIDA2Q380.82
BEZBENZOIC ACIDA,B,C,D1UUJ0.82
BEZBENZOIC ACIDA,B2QL80.82
BEZBENZOIC ACIDA2Q0I0.82
BEZBENZOIC ACIDA,B1S8F0.82
BEZBENZOIC ACIDD,E,F,G,H1DJR0.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.82
BEZBENZOIC ACIDA,B,C,D1I7Q0.82
BEZBENZOIC ACIDA,B,C,D2RHM0.82
BEZBENZOIC ACIDA,B2F780.82
BEZBENZOIC ACIDA,B2VL20.82
BEZBENZOIC ACIDA1HD20.82
BEZBENZOIC ACIDA1JU40.82
BEZBENZOIC ACIDH,L2AJY0.82
BEZBENZOIC ACIDA,B,C3GV10.82
BEZBENZOIC ACIDA2Q6U0.82
BEZBENZOIC ACIDA,B1VE90.82
BEZBENZOIC ACIDA,B1S9A0.82
BEZBENZOIC ACIDH,L,M1OP30.82
BEZBENZOIC ACIDA1W9E0.82
BEZBENZOIC ACIDA,B,C,D2V2G0.82
BEZBENZOIC ACIDH,L2AK10.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.82
BEZBENZOIC ACIDA,B1GYX0.82
BEZBENZOIC ACIDA1V1T0.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.82
BEZBENZOIC ACIDA,B1HKQ0.82
BEZBENZOIC ACIDH,L1RUK0.82
BEZBENZOIC ACIDA2Q1B0.82
BEZBENZOIC ACIDH,L1RUM0.82
BEZBENZOIC ACIDA,B2F7A0.82
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.82
BEZBENZOIC ACIDA,B2V7B0.82
BEZBENZOIC ACIDH1NCW0.82
BEZBENZOIC ACIDA,B1TMX0.82
BEZBENZOIC ACIDA1URM0.82
BEZBENZOIC ACIDA1W9O0.82
BEZBENZOIC ACIDA,B,C,D1GXS0.82
BEZBENZOIC ACIDH1RUP0.82
BEZBENZOIC ACIDA,B,C,D1KQB0.82
BEZBENZOIC ACIDA2Q9R0.82
BEZBENZOIC ACIDD,H2OK60.82
BEZBENZOIC ACIDA,B2Q0J0.82
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.74
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
PTMALPHA-METHYL-O-PHOSPHOTYROSINEH,L1JYQ0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
PAC2-PHENYLACETIC ACIDB1PNL0.84
PAC2-PHENYLACETIC ACIDB1K5Q0.84
PAC2-PHENYLACETIC ACIDB1FXH0.84
PAC2-PHENYLACETIC ACIDA2ISF0.84
PAC2-PHENYLACETIC ACIDA2INE0.84
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
7912-PHENYLMALONIC ACIDA1O4P0.87
FLPFLURBIPROFENA,B,C,D3PGH0.81
FLPFLURBIPROFENA,B1CQE0.81
FLPFLURBIPROFENA,B1EQH0.81
FLPFLURBIPROFENA,B2AYL0.81
FLPFLURBIPROFENA1DVT0.81
FLPFLURBIPROFENA1R9O0.81
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.76
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.87
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.87
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.87
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.78
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.83
4HP4-HYDROXYPHENYLACETATEA2YYJ0.83
4HP4-HYDROXYPHENYLACETATEA2YYM0.83
4HP4-HYDROXYPHENYLACETATEB1AI60.83
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.83
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.73
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.81
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.81
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.8
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.8
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.8
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.72
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.7
FHIA,B1Y1D0.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.79
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid
A,B3B6C0.7
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.72
2LP2-ALLYLPHENOLA1OV50.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.72
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.75
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.81
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
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.72
OX1H,Y1LO20.78
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.79
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.79