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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03421650

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.81
2LP2-ALLYLPHENOLA1OV50.9
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
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.72
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.77
DHCCAFFEIC ACIDA1KOU0.77
SS2(1R)-1-PHENYLETHANOLA1ZK00.79
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.79
SS2(1R)-1-PHENYLETHANOLA1ZJY0.79
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.91
TRTFRAGMENT OF TRITON X-100A,E2I0U0.77
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.79
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.7
ESLESTRIOLA1X8V0.8
FPN4-FLUOROPHENOLA,B1XVD0.76
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
ESOO3-PHOSPHONOESTRONEB,C1ESS0.71
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.73
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.76
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.8
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.8
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.78
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.78
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.78
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.76
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.77
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.76
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.84
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.8
IPHPHENOLA,B2OLD0.78
IPHPHENOLA,B,C,D2PZV0.78
IPHPHENOLA1LI20.78
IPHPHENOLA2J9N0.78
IPHPHENOLA,B,C,D2OMB0.78
IPHPHENOLA1JHX0.78
IPHPHENOLA,B,C,D2VE70.78
IPHPHENOLB,D,E,G,H,J,L1AI00.78
IPHPHENOLA,B,C,D1FOH0.78
IPHPHENOLA1V030.78
IPHPHENOLA,C,E,G,I,K5AIY0.78
IPHPHENOLB,D,F,H,J,L1AIY0.78
IPHPHENOLA,B1XU50.78
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.78
IPHPHENOLA,C,E,G,I,K4AIY0.78
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.78
IPHPHENOLA2AS30.78
IPHPHENOLA,B,C,D1ZEG0.78
IPHPHENOLA,B,C,D1PN00.78
IPHPHENOLA,B,C,D1XW70.78
IPHPHENOLA,C,E,G,I,K,M1QIY0.78
IPHPHENOLA,B,C,D1Q4V0.78
IPHPHENOLB1AI70.78
IPHPHENOLA1FJW0.78
IPHPHENOLB,C,D1RWE0.78
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.78
IPHPHENOLB,C,D3GKY0.78
IPHPHENOLA1JHY0.78
IPHPHENOLA,C,E,G,I,K3AIY0.78
IPHPHENOLA,B2OMN0.78
IPHPHENOLA,C,E,G,I,K2AIY0.78
IPHPHENOLA,B,D1MPJ0.78
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.78
IPHPHENOLB,C,D1LPH0.78
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.75
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
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.92
EYK2-tert-butylbenzene-1,4-diolB3EYK0.92
LJ33,5-dibromobiphenyl-4-olA,B3CN20.8
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.75
AEF4-(2-aminoethyl)phenolA3BRA0.8
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.9
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.8
D1NNAPHTHALENE-1,2-DIOLA2EI10.8
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.75
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ40.71
PHBP-HYDROXYBENZOIC ACIDA1DOB0.71
PHBP-HYDROXYBENZOIC ACIDA1PXB0.71
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.71
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.71
PHBP-HYDROXYBENZOIC ACIDA1IUV0.71
PHBP-HYDROXYBENZOIC ACIDA1PBE0.71
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.71
PHBP-HYDROXYBENZOIC ACIDA1PDH0.71
PHBP-HYDROXYBENZOIC ACIDB2BUW0.71
PHBP-HYDROXYBENZOIC ACIDA1CC40.71
PHBP-HYDROXYBENZOIC ACIDA1CC60.71
PHBP-HYDROXYBENZOIC ACIDA1IUW0.71
PHBP-HYDROXYBENZOIC ACIDA1FW90.71
PHBP-HYDROXYBENZOIC ACIDA1G810.71
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.71
PHBP-HYDROXYBENZOIC ACIDA1IUX0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ30.71
PHBP-HYDROXYBENZOIC ACIDA1D7L0.71
PHBP-HYDROXYBENZOIC ACIDA2PHH0.71
PHBP-HYDROXYBENZOIC ACIDA1BGN0.71
PHBP-HYDROXYBENZOIC ACIDA1PXA0.71
PHBP-HYDROXYBENZOIC ACIDA1DOC0.71
PHBP-HYDROXYBENZOIC ACIDA1K0I0.71
PHBP-HYDROXYBENZOIC ACIDA1BKW0.71
PHBP-HYDROXYBENZOIC ACIDA1JD30.71
PHBP-HYDROXYBENZOIC ACIDA1PXC0.71
PHBP-HYDROXYBENZOIC ACIDA1TT80.71
PHBP-HYDROXYBENZOIC ACIDA1CJ20.71
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.71
PHBP-HYDROXYBENZOIC ACIDA1BF30.71
PHBP-HYDROXYBENZOIC ACIDB2BUR0.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.89
DESDIETHYLSTILBESTROLA,B3ERD0.89
DESDIETHYLSTILBESTROLA,B1TT60.89
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.89
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.79
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.81
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.87
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.78
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
2MP3,4-DIMETHYLPHENOLA1L5O0.92
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.86
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.79
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
43M4-CHLORO-3-METHYLPHENOLA2P7A0.78
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.71
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.76
IOL4-IODOPHENOLA,B1EWA0.76
PCRP-CRESOLA1JHV0.9
PCRP-CRESOLA1JHU0.9
PCRP-CRESOLA,B,C,D1DIQ0.9
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.86
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.95
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.91
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
BPYBIPHENYL-2,3-DIOLA1KMY0.84
BPYBIPHENYL-2,3-DIOLB1KW80.84
BPYBIPHENYL-2,3-DIOLA2EI30.84
BPYBIPHENYL-2,3-DIOLA1EIR0.84
BPYBIPHENYL-2,3-DIOLB1KW60.84
BPYBIPHENYL-2,3-DIOLB1KWC0.84
BPYBIPHENYL-2,3-DIOLB1KW90.84
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.76
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.82
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.82
341(3,5-difluorophenyl)methanolC3EON0.7
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.8
OBPA,B2DE30.77
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.72
AC6P-HYDROXYACETOPHENONEA2GQ80.77
AC6P-HYDROXYACETOPHENONEX2O480.77
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.8
OXNOXTOXYNOL-10A1IKT0.76
OXNOXTOXYNOL-10A,B2Q320.76
OXNOXTOXYNOL-10A,B1UEH0.76
OXNOXTOXYNOL-10A,B2D4Q0.76
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.7
1NP1-NAPHTHOLX2ZVQ0.84
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.72
HBAP-HYDROXYBENZALDEHYDEA1K030.71
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.71
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.71
HBAP-HYDROXYBENZALDEHYDEA2GQ90.71
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.71
HBAP-HYDROXYBENZALDEHYDEA1OYB0.71
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.8
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.7
CAQCATECHOLB2BUY0.73
CAQCATECHOLA1KND0.73
CAQCATECHOLB2BUQ0.73
CAQCATECHOLA,B1DLT0.73
CAQCATECHOLA1XEP0.73
CAQCATECHOLA2PUM0.73
HTS2-MERCAPTOPHENOLA2OSM0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
SS11-PHENYLETHANOLH1UM50.79
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
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.7
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.7
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.7
ANFANTHRONEH2BJM0.79
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.76
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.76
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.96
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.96
DTYD-TYROSINEA1C4B0.7
DTYD-TYROSINEA,L1ZEA0.7
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.7
DTYD-TYROSINEA,B1UNO0.7
DTYD-TYROSINEA2IGZ0.7
DTYD-TYROSINEA,B,C,H,K,L2R5D0.7
DTYD-TYROSINEA,B2Q330.7
DTYD-TYROSINEH,S2H9E0.7
DTYD-TYROSINEA,B,C,H,K,L2R5B0.7
DTYD-TYROSINEA2IH00.7
DTYD-TYROSINEA1D7T0.7
DTYD-TYROSINEA,B1XA00.7
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.91
TYBTYROSINALA,B1KDZ0.7
TYBTYROSINALA1Q110.7
TYBTYROSINALA,B2J5B0.7
TYBTYROSINALA,I1GA40.7
TYBTYROSINALA,B,C1NLU0.7
TYBTYROSINALA,B1KE10.7
TYBTYROSINALA,B1H3F0.7
TYBTYROSINALA,B1H3E0.7
3CH3-CHLOROPHENOLA1LI30.7
HC4A1TS60.81
HC4A3PHY0.81
HC4A3PYP0.81
HC4A1T1C0.81
HC4A1OT60.81
HC4A1TS00.81
HC4A1T1A0.81
HC4A2PYP0.81
HC4A2ZOI0.81
HC4A1OTI0.81
HC4A1XFQ0.81
HC4A2D010.81
HC4A,B,C,D,E,F,
G,H
2O7B0.81
HC4A2ZOH0.81
HC4A1GSW0.81
HC4A2QJ70.81
HC4A1F9I0.81
HC4X1UWP0.81
HC4A2PHY0.81
HC4A1T1B0.81
HC4A1F980.81
HC4A1T190.81
HC4X1UWN0.81
HC4A,B,C,D,E,F,
G,H
2O7F0.81
HC4A1UGU0.81
HC4A1TS80.81
HC4A,B1OTD0.81
HC4A1OTE0.81
HC4A1GSX0.81
HC4A1TS70.81
HC4A2PYR0.81
HC4A1S4S0.81
HC4A1GSV0.81
HC4A2I9V0.81
HC4A2QWS0.81
HC4A1XFN0.81
HC4A1S4R0.81
HC4A1T180.81
HC4A1OTA0.81
HC4A1D7E0.81
HC4A1S1Z0.81
HC4A,B,C1MZU0.81
HC4A,B1ODV0.81
HC4A,B2J3J0.81
HC4A2QJ50.81
HC4A1OTB0.81
HC4A2D020.81
HC4A1OT90.81
HC4A1NWZ0.81
HC4A1S1Y0.81
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.74
FP22-fluorophenolA3CPO0.76
MBD3-METHYLCATECHOLA1KNF0.83
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.71
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.81
4HP4-HYDROXYPHENYLACETATEA2YYJ0.81
4HP4-HYDROXYPHENYLACETATEA2YYM0.81
4HP4-HYDROXYPHENYLACETATEB1AI60.81
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.81
FFP2,6-DIFLUOROPHENOLA2INX0.74
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.97
2BR2-BROMOPHENOLA,B,C,D2A9W0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.82
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.82
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.84
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
MCT4-METHYLCATECHOLA1L4G0.84
MCT4-METHYLCATECHOLA2EHZ0.84
MCT4-METHYLCATECHOLA,B1DMH0.84
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.73
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.78
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.72
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.72
RCORESORCINOLA,B,C,D,E,F2OMH0.72
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.72
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.72
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.79
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
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
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
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.74
ESTESTRADIOLA,B1GWR0.82
ESTESTRADIOLA1FDS0.82
ESTESTRADIOLA,B,C1G500.82
ESTESTRADIOLA,B,C,D,E,F1ERE0.82
ESTESTRADIOLA,B1A520.82
ESTESTRADIOLA1FDT0.82
ESTESTRADIOLA2OCF0.82
ESTESTRADIOLA,B,C1QKU0.82
ESTESTRADIOLA,B,C,D,L1E6W0.82
ESTESTRADIOLA1IOL0.82
ESTESTRADIOLH1JNN0.82
ESTESTRADIOLB1QKT0.82
ESTESTRADIOLA1FDW0.82
ESTESTRADIOLA,B1AQU0.82
ESTESTRADIOLA1LHU0.82
ESTESTRADIOLA1A270.82
ESTESTRADIOLL1JGL0.82
ESTESTRADIOLA,B,E,F1PCG0.82
ESTESTRADIOLA,B,C,D1FDU0.82
ESTESTRADIOLA2J7X0.82
ESTESTRADIOLA,B2D060.82
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.9
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.82
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.91
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.79
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.71
BML4-BROMOPHENOLA,B,E3DHH0.7
BML4-BROMOPHENOLA,B1XU30.7
BML4-BROMOPHENOLA,B1T0S0.7
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
EQUEQUILENINA,B1OGX0.76
EQUEQUILENINA,B,C,D,E,F1QJG0.76
EQUEQUILENINA,B1OH00.76
EQUEQUILENINA1W6Y0.76
EQUEQUILENINA,B1CQS0.76
EQUEQUILENINA1OGZ0.76
EQUEQUILENINA1GS30.76
EQUEQUILENINA1OHO0.76
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.7
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.73
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.81
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.83
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.83
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.76
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.79
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
ETY4-ethylphenolA,B,C,D2RA60.92
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.79
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.72
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
A,B1JP30.76
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
A2W220.76
EQIEQUILINA,B1EQU0.79