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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02845529

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
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.9
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
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.85
ANFANTHRONEH2BJM0.78
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.77
DHCCAFFEIC ACIDA1KOU0.77
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.74
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.72
1NP1-NAPHTHOLX2ZVQ0.82
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.72
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.71
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.84
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.91
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.76
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.74
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.74
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
AEF4-(2-aminoethyl)phenolA3BRA0.82
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.83
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.9
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.9
341(3,5-difluorophenyl)methanolC3EON0.73
MBD3-METHYLCATECHOLA1KNF0.84
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.86
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.84
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.83
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.92
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.81
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.81
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.81
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.75
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.71
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
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.85
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.72
EQUEQUILENINA,B1OGX0.73
EQUEQUILENINA,B,C,D,E,F1QJG0.73
EQUEQUILENINA,B1OH00.73
EQUEQUILENINA1W6Y0.73
EQUEQUILENINA,B1CQS0.73
EQUEQUILENINA1OGZ0.73
EQUEQUILENINA1GS30.73
EQUEQUILENINA1OHO0.73
OHT4-HYDROXYTAMOXIFENA3ERT0.72
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.72
OHT4-HYDROXYTAMOXIFENA,B1VJB0.72
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.72
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.72
OHT4-HYDROXYTAMOXIFENA2GPU0.72
OHT4-HYDROXYTAMOXIFENA2P7Z0.72
OHT4-HYDROXYTAMOXIFENA,B2BJ40.72
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.72
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.75
FP22-fluorophenolA3CPO0.78
OXNOXTOXYNOL-10A1IKT0.72
OXNOXTOXYNOL-10A,B2Q320.72
OXNOXTOXYNOL-10A,B1UEH0.72
OXNOXTOXYNOL-10A,B2D4Q0.72
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.73
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,B1JP30.72
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
A2W220.72
FFP2,6-DIFLUOROPHENOLA2INX0.76
OBPA,B2DE30.78
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
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
RSOR-STYRENE OXIDEA,B1PWZ0.72
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.77
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.76
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.79
IBPIBUPROFENA3FKX0.7
IBPIBUPROFENA,B2BXG0.7
IBPIBUPROFENA,B1EQG0.7
IBPIBUPROFENA,B,C2WD90.7
IBPIBUPROFENA2PWS0.7
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.8
HBAP-HYDROXYBENZALDEHYDEA1K030.73
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.73
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.73
HBAP-HYDROXYBENZALDEHYDEA2GQ90.73
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.73
HBAP-HYDROXYBENZALDEHYDEA1OYB0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
CAQCATECHOLB2BUY0.76
CAQCATECHOLA1KND0.76
CAQCATECHOLB2BUQ0.76
CAQCATECHOLA,B1DLT0.76
CAQCATECHOLA1XEP0.76
CAQCATECHOLA2PUM0.76
HC4A1TS60.84
HC4A3PHY0.84
HC4A3PYP0.84
HC4A1T1C0.84
HC4A1OT60.84
HC4A1TS00.84
HC4A1T1A0.84
HC4A2PYP0.84
HC4A2ZOI0.84
HC4A1OTI0.84
HC4A1XFQ0.84
HC4A2D010.84
HC4A,B,C,D,E,F,
G,H
2O7B0.84
HC4A2ZOH0.84
HC4A1GSW0.84
HC4A2QJ70.84
HC4A1F9I0.84
HC4X1UWP0.84
HC4A2PHY0.84
HC4A1T1B0.84
HC4A1F980.84
HC4A1T190.84
HC4X1UWN0.84
HC4A,B,C,D,E,F,
G,H
2O7F0.84
HC4A1UGU0.84
HC4A1TS80.84
HC4A,B1OTD0.84
HC4A1OTE0.84
HC4A1GSX0.84
HC4A1TS70.84
HC4A2PYR0.84
HC4A1S4S0.84
HC4A1GSV0.84
HC4A2I9V0.84
HC4A2QWS0.84
HC4A1XFN0.84
HC4A1S4R0.84
HC4A1T180.84
HC4A1OTA0.84
HC4A1D7E0.84
HC4A1S1Z0.84
HC4A,B,C1MZU0.84
HC4A,B1ODV0.84
HC4A,B2J3J0.84
HC4A2QJ50.84
HC4A1OTB0.84
HC4A2D020.84
HC4A1OT90.84
HC4A1NWZ0.84
HC4A1S1Y0.84
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.77
HTS2-MERCAPTOPHENOLA2OSM0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.82
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.76
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,D1Y0G0.92
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.77
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
YOF3-FLUOROTYROSINEA,B1XIL0.7
YOF3-FLUOROTYROSINEA,B1XDC0.7
YOF3-FLUOROTYROSINEA1RRX0.7
YOF3-FLUOROTYROSINEA,B3FYG0.7
LNRL-NOREPINEPHRINEA,B2QEO0.71
LNRL-NOREPINEPHRINEA3DYE0.71
LNRL-NOREPINEPHRINEA4PAH0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.77
STLRESVERATROLA,B3CKL0.81
STLRESVERATROLA,B,C,D1U0W0.81
STLRESVERATROLA1CGZ0.81
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.81
STLRESVERATROLA1Z1F0.81
STLRESVERATROLA1DVS0.81
STLRESVERATROLA,B1SG00.81
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.84
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.84
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
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.93
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.94
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.92
DESDIETHYLSTILBESTROLA,B3ERD0.92
DESDIETHYLSTILBESTROLA,B1TT60.92
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.92
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
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
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
3CH3-CHLOROPHENOLA1LI30.72
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.81
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.79
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.79
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
TYBTYROSINALA,B1KDZ0.72
TYBTYROSINALA1Q110.72
TYBTYROSINALA,B2J5B0.72
TYBTYROSINALA,I1GA40.72
TYBTYROSINALA,B,C1NLU0.72
TYBTYROSINALA,B1KE10.72
TYBTYROSINALA,B1H3F0.72
TYBTYROSINALA,B1H3E0.72
ETY4-ethylphenolA,B,C,D2RA60.95
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
2CH2-CHLOROPHENOLA1WBO0.71
FPN4-FLUOROPHENOLA,B1XVD0.78
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
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.71
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.76
LDPL-DOPAMINEA,B2A3R0.76
LDPL-DOPAMINEA5PAH0.76
LDPL-DOPAMINEA,B2QMZ0.76
LDPL-DOPAMINEA,B2VQ50.76
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.82
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.8
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.78
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.78
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.99
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.78
CRSM-CRESOLA,B,C,D1EV30.9
CRSM-CRESOLA,B,C,D,E,F2OMG0.9
CRSM-CRESOLA,B1UZ90.9
CRSM-CRESOLA,B,C,D1ZEH0.9
CRSM-CRESOLA,B,C,D,E,F1ZEI0.9
CRSM-CRESOLA,C,D,E7INS0.9
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.9
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.77
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.71
SAL2-HYDROXYBENZOIC ACIDA2I300.71
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.71
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.71
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.71
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.71
SAL2-HYDROXYBENZOIC ACIDA1WYG0.71
SAL2-HYDROXYBENZOIC ACIDA1JGS0.71
SAL2-HYDROXYBENZOIC ACIDX1M6E0.71
SAL2-HYDROXYBENZOIC ACIDA3B9M0.71
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.71
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.71
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.71
2LP2-ALLYLPHENOLA1OV50.93
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.86
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.86
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.7
IPHPHENOLA,B2OLD0.81
IPHPHENOLA,B,C,D2PZV0.81
IPHPHENOLA1LI20.81
IPHPHENOLA2J9N0.81
IPHPHENOLA,B,C,D2OMB0.81
IPHPHENOLA1JHX0.81
IPHPHENOLA,B,C,D2VE70.81
IPHPHENOLB,D,E,G,H,J,L1AI00.81
IPHPHENOLA,B,C,D1FOH0.81
IPHPHENOLA1V030.81
IPHPHENOLA,C,E,G,I,K5AIY0.81
IPHPHENOLB,D,F,H,J,L1AIY0.81
IPHPHENOLA,B1XU50.81
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.81
IPHPHENOLA,C,E,G,I,K4AIY0.81
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.81
IPHPHENOLA2AS30.81
IPHPHENOLA,B,C,D1ZEG0.81
IPHPHENOLA,B,C,D1PN00.81
IPHPHENOLA,B,C,D1XW70.81
IPHPHENOLA,C,E,G,I,K,M1QIY0.81
IPHPHENOLA,B,C,D1Q4V0.81
IPHPHENOLB1AI70.81
IPHPHENOLA1FJW0.81
IPHPHENOLB,C,D1RWE0.81
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.81
IPHPHENOLB,C,D3GKY0.81
IPHPHENOLA1JHY0.81
IPHPHENOLA,C,E,G,I,K3AIY0.81
IPHPHENOLA,B2OMN0.81
IPHPHENOLA,C,E,G,I,K2AIY0.81
IPHPHENOLA,B,D1MPJ0.81
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.81
IPHPHENOLB,C,D1LPH0.81
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.79
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.75
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.75
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.75
RCORESORCINOLA,B,C,D,E,F2OMH0.75
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.75
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.75
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.75
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.75
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.74
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.85
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.83
4HP4-HYDROXYPHENYLACETATEA2YYJ0.83
4HP4-HYDROXYPHENYLACETATEA2YYM0.83
4HP4-HYDROXYPHENYLACETATEB1AI60.83
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.83
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
PCRP-CRESOLA1JHV0.93
PCRP-CRESOLA1JHU0.93
PCRP-CRESOLA,B,C,D1DIQ0.93
SS11-PHENYLETHANOLH1UM50.82
TYCL-TYROSINAMIDEA2BF90.72
TYCL-TYROSINAMIDEA2OCI0.72
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
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.87
EYK2-tert-butylbenzene-1,4-diolB3EYK0.87
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.78
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.76
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.81
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.76
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.77
BML4-BROMOPHENOLA,B,E3DHH0.72
BML4-BROMOPHENOLA,B1XU30.72
BML4-BROMOPHENOLA,B1T0S0.72
EQIEQUILINA,B1EQU0.76
AC6P-HYDROXYACETOPHENONEA2GQ80.79
AC6P-HYDROXYACETOPHENONEX2O480.79
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.91
ZTWRALOXIFENE COREA,B1GWQ0.71
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
IOL4-IODOPHENOLA,B1EWA0.78
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.78
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
D1NNAPHTHALENE-1,2-DIOLA2EI10.78
MCT4-METHYLCATECHOLA1L4G0.85
MCT4-METHYLCATECHOLA2EHZ0.85
MCT4-METHYLCATECHOLA,B1DMH0.85
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.77
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.92
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.75
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.72
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
ESLESTRIOLA1X8V0.77
LJ33,5-dibromobiphenyl-4-olA,B3CN20.78