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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323062

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.8
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.7
PHQFORMIC ACID BENZYL ESTERA1KJO0.7
PHQFORMIC ACID BENZYL ESTERI2CDR0.7
PHQFORMIC ACID BENZYL ESTERI2C1E0.7
PHQFORMIC ACID BENZYL ESTERI5PAD0.7
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.7
PHQFORMIC ACID BENZYL ESTERA2CNO0.7
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.7
PHQFORMIC ACID BENZYL ESTERI2AZ90.7
PHQFORMIC ACID BENZYL ESTERI2C2K0.7
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.7
PHQFORMIC ACID BENZYL ESTERA1KJP0.7
PHQFORMIC ACID BENZYL ESTERI2C2M0.7
PHQFORMIC ACID BENZYL ESTERI2AZB0.7
PHQFORMIC ACID BENZYL ESTERA9HVP0.7
PHQFORMIC ACID BENZYL ESTERA1ESB0.7
PHQFORMIC ACID BENZYL ESTERE,F1DY80.7
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.7
PHQFORMIC ACID BENZYL ESTERI1GEC0.7
PHQFORMIC ACID BENZYL ESTERA1KS70.7
PHQFORMIC ACID BENZYL ESTERC1A8G0.7
PHQFORMIC ACID BENZYL ESTERA1KKK0.7
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.7
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.7
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.7
PHQFORMIC ACID BENZYL ESTERA1KTO0.7
PHQFORMIC ACID BENZYL ESTERA,C1TG10.7
PHQFORMIC ACID BENZYL ESTERI2AZ80.7
PHQFORMIC ACID BENZYL ESTERA,B2G580.7
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.7
PHQFORMIC ACID BENZYL ESTERI2CJY0.7
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.7
PHQFORMIC ACID BENZYL ESTERA1KR60.7
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.7
PHQFORMIC ACID BENZYL ESTERA1KRO0.7
PHQFORMIC ACID BENZYL ESTERI2CNN0.7
PHQFORMIC ACID BENZYL ESTERI2C2O0.7
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.7
PHQFORMIC ACID BENZYL ESTERA,B1THE0.7
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.7
PHQFORMIC ACID BENZYL ESTERE,I5EST0.7
PHQFORMIC ACID BENZYL ESTERI2CNK0.7
PHQFORMIC ACID BENZYL ESTERA1KL60.7
PHQFORMIC ACID BENZYL ESTERI6PAD0.7
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.7
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
RSOR-STYRENE OXIDEA,B1PWZ0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.79
HTS2-MERCAPTOPHENOLA2OSM0.7
43M4-CHLORO-3-METHYLPHENOLA2P7A0.75
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.89
IPHPHENOLA,B2OLD0.77
IPHPHENOLA,B,C,D2PZV0.77
IPHPHENOLA1LI20.77
IPHPHENOLA2J9N0.77
IPHPHENOLA,B,C,D2OMB0.77
IPHPHENOLA1JHX0.77
IPHPHENOLA,B,C,D2VE70.77
IPHPHENOLB,D,E,G,H,J,L1AI00.77
IPHPHENOLA,B,C,D1FOH0.77
IPHPHENOLA1V030.77
IPHPHENOLA,C,E,G,I,K5AIY0.77
IPHPHENOLB,D,F,H,J,L1AIY0.77
IPHPHENOLA,B1XU50.77
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.77
IPHPHENOLA,C,E,G,I,K4AIY0.77
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.77
IPHPHENOLA2AS30.77
IPHPHENOLA,B,C,D1ZEG0.77
IPHPHENOLA,B,C,D1PN00.77
IPHPHENOLA,B,C,D1XW70.77
IPHPHENOLA,C,E,G,I,K,M1QIY0.77
IPHPHENOLA,B,C,D1Q4V0.77
IPHPHENOLB1AI70.77
IPHPHENOLA1FJW0.77
IPHPHENOLB,C,D1RWE0.77
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.77
IPHPHENOLB,C,D3GKY0.77
IPHPHENOLA1JHY0.77
IPHPHENOLA,C,E,G,I,K3AIY0.77
IPHPHENOLA,B2OMN0.77
IPHPHENOLA,C,E,G,I,K2AIY0.77
IPHPHENOLA,B,D1MPJ0.77
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.77
IPHPHENOLB,C,D1LPH0.77
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
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
ALEL-EPINEPHRINEA3PAH0.74
ALEL-EPINEPHRINEA2HKK0.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.85
EYK2-tert-butylbenzene-1,4-diolB3EYK0.85
12M(2-ETHYLPHENYL)METHANOLA,B2F620.82
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.84
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.84
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.84
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.83
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.82
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.86
DESDIETHYLSTILBESTROLA,B3ERD0.86
DESDIETHYLSTILBESTROLA,B1TT60.86
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.86
MBD3-METHYLCATECHOLA1KNF0.84
ESTESTRADIOLA,B1GWR0.78
ESTESTRADIOLA1FDS0.78
ESTESTRADIOLA,B,C1G500.78
ESTESTRADIOLA,B,C,D,E,F1ERE0.78
ESTESTRADIOLA,B1A520.78
ESTESTRADIOLA1FDT0.78
ESTESTRADIOLA2OCF0.78
ESTESTRADIOLA,B,C1QKU0.78
ESTESTRADIOLA,B,C,D,L1E6W0.78
ESTESTRADIOLA1IOL0.78
ESTESTRADIOLH1JNN0.78
ESTESTRADIOLB1QKT0.78
ESTESTRADIOLA1FDW0.78
ESTESTRADIOLA,B1AQU0.78
ESTESTRADIOLA1LHU0.78
ESTESTRADIOLA1A270.78
ESTESTRADIOLL1JGL0.78
ESTESTRADIOLA,B,E,F1PCG0.78
ESTESTRADIOLA,B,C,D1FDU0.78
ESTESTRADIOLA2J7X0.78
ESTESTRADIOLA,B2D060.78
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.81
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.81
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.77
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.8
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
PCRP-CRESOLA1JHV0.87
PCRP-CRESOLA1JHU0.87
PCRP-CRESOLA,B,C,D1DIQ0.87
MCT4-METHYLCATECHOLA1L4G0.81
MCT4-METHYLCATECHOLA2EHZ0.81
MCT4-METHYLCATECHOLA,B1DMH0.81
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
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.83
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.83
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
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
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.82
341(3,5-difluorophenyl)methanolC3EON0.75
SS11-PHENYLETHANOLH1UM50.86
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.75
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.7
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.84
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.84
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.84
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.84
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.84
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.86
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.8
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.79
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.74
DHCCAFFEIC ACIDA1KOU0.74
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.82
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.7
SMN(S)-MANDELIC ACIDA1MDL0.74
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.7
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.78
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.72
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.72
ANFANTHRONEH2BJM0.75
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.7
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.78
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.76
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.75
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.7
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.8
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.89
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.79
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
1NP1-NAPHTHOLX2ZVQ0.81
2MP3,4-DIMETHYLPHENOLA1L5O0.85
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.77
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.79
HBAP-HYDROXYBENZALDEHYDEA1K030.74
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.74
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.74
HBAP-HYDROXYBENZALDEHYDEA2GQ90.74
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.74
HBAP-HYDROXYBENZALDEHYDEA1OYB0.74
CRSM-CRESOLA,B,C,D1EV30.86
CRSM-CRESOLA,B,C,D,E,F2OMG0.86
CRSM-CRESOLA,B1UZ90.86
CRSM-CRESOLA,B,C,D1ZEH0.86
CRSM-CRESOLA,B,C,D,E,F1ZEI0.86
CRSM-CRESOLA,C,D,E7INS0.86
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.86
FP22-fluorophenolA3CPO0.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.83
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.7
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.74
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.79
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.79
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.77
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.79
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.83
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
BPYBIPHENYL-2,3-DIOLA1KMY0.81
BPYBIPHENYL-2,3-DIOLB1KW80.81
BPYBIPHENYL-2,3-DIOLA2EI30.81
BPYBIPHENYL-2,3-DIOLA1EIR0.81
BPYBIPHENYL-2,3-DIOLB1KW60.81
BPYBIPHENYL-2,3-DIOLB1KWC0.81
BPYBIPHENYL-2,3-DIOLB1KW90.81
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
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,D1Y0G0.88
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.76
FFP2,6-DIFLUOROPHENOLA2INX0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.82
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.7
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.77
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.72
CAQCATECHOLB2BUY0.74
CAQCATECHOLA1KND0.74
CAQCATECHOLB2BUQ0.74
CAQCATECHOLA,B1DLT0.74
CAQCATECHOLA1XEP0.74
CAQCATECHOLA2PUM0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.81
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.81
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.86
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.86
SS2(1R)-1-PHENYLETHANOLA1ZJY0.86
IOL4-IODOPHENOLA,B1EWA0.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.77
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.77
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.74
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.78
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
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.76
AC6P-HYDROXYACETOPHENONEX2O480.76
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.72
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.7
OBPA,B2DE30.76
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.79
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.86
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.77
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.77
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.77
RCORESORCINOLA,B,C,D,E,F2OMH0.77
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.77
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.77
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.77
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.77
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
PEL2-PHENYL-ETHANOLA,B1I0D0.77
PEL2-PHENYL-ETHANOLD,H2I0T0.77
PEL2-PHENYL-ETHANOLA,B1HZY0.77
PEL2-PHENYL-ETHANOLA,B1I0B0.77
PEL2-PHENYL-ETHANOLA1EYW0.77
PEL2-PHENYL-ETHANOLA,B1JGM0.77
ETY4-ethylphenolA,B,C,D2RA60.89
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.7
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
LNRL-NOREPINEPHRINEA,B2QEO0.77
LNRL-NOREPINEPHRINEA3DYE0.77
LNRL-NOREPINEPHRINEA4PAH0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.77
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
AEF4-(2-aminoethyl)phenolA3BRA0.77
FPN4-FLUOROPHENOLA,B1XVD0.75
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.73
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.73
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.76
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.88
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.77
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.8
4HP4-HYDROXYPHENYLACETATEA2YYJ0.8
4HP4-HYDROXYPHENYLACETATEA2YYM0.8
4HP4-HYDROXYPHENYLACETATEB1AI60.8
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.8
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.81
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.81
2LP2-ALLYLPHENOLA1OV50.91
HC4A1TS60.8
HC4A3PHY0.8
HC4A3PYP0.8
HC4A1T1C0.8
HC4A1OT60.8
HC4A1TS00.8
HC4A1T1A0.8
HC4A2PYP0.8
HC4A2ZOI0.8
HC4A1OTI0.8
HC4A1XFQ0.8
HC4A2D010.8
HC4A,B,C,D,E,F,
G,H
2O7B0.8
HC4A2ZOH0.8
HC4A1GSW0.8
HC4A2QJ70.8
HC4A1F9I0.8
HC4X1UWP0.8
HC4A2PHY0.8
HC4A1T1B0.8
HC4A1F980.8
HC4A1T190.8
HC4X1UWN0.8
HC4A,B,C,D,E,F,
G,H
2O7F0.8
HC4A1UGU0.8
HC4A1TS80.8
HC4A,B1OTD0.8
HC4A1OTE0.8
HC4A1GSX0.8
HC4A1TS70.8
HC4A2PYR0.8
HC4A1S4S0.8
HC4A1GSV0.8
HC4A2I9V0.8
HC4A2QWS0.8
HC4A1XFN0.8
HC4A1S4R0.8
HC4A1T180.8
HC4A1OTA0.8
HC4A1D7E0.8
HC4A1S1Z0.8
HC4A,B,C1MZU0.8
HC4A,B1ODV0.8
HC4A,B2J3J0.8
HC4A2QJ50.8
HC4A1OTB0.8
HC4A2D020.8
HC4A1OT90.8
HC4A1NWZ0.8
HC4A1S1Y0.8
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,B1JP30.71
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
A2W220.71
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.79
ESLESTRIOLA1X8V0.77
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.79
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.79
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.83