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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02491695

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE		A2HAI0.75
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.76
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.74
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.74
HBAP-HYDROXYBENZALDEHYDEA1K030.7
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.7
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.7
HBAP-HYDROXYBENZALDEHYDEA2GQ90.7
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.7
HBAP-HYDROXYBENZALDEHYDEA1OYB0.7
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione		A,B3C9W0.77
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one		A2GIU0.72
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE		A,B1ZAF0.71
RWFR-WARFARINA,B2BXD0.75
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.77
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.77
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.79
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.75
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione		A,B2ZI80.73
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.73
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2FAI0.75
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.82
ZCTA,B,C,D,E,F,
G,H		3B6A0.75
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
FDSFLUORESCINH4FAB0.76
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE		A2CGF0.74
AJA(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-
1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-
TETRAHYDRO-6H-BENZO[C]CHROMENE-
9-CARBOXYLIC ACID		A,B,C,D2OM90.75
EQIEQUILINA,B1EQU0.74
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.71
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID		A2P1U0.74
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.73
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A,C,E,G1MZN0.73
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.71
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
4FCA1YSG0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.79
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.79
CIOCILOMILASTA,B1XOM0.75
CIOCILOMILASTA,B1XLX0.75
SDN[(3S)-9-hydroxy-1-methyl-10-oxo-
4,10-dihydro-3H-benzo[g]isochromen-
3-yl]acetic acid		A,B3B6C0.8
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1T0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.8
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.8
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.75
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWS0.74
ORE4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-
3H-XANTHEN-9-YL)ISOPHTHALIC ACID		H,I2A9N0.71
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID		A2P1V0.74
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.78
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID		H1RIV0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.72
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.7
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER		A,B,C1LJT0.71
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE		A1UPJ0.73
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE		A3UPJ0.75
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL		A,B2QGT0.7
HZ3dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-
7-oxabicyclo[2.2.1]hepta-2,5-diene-
2,3-dicarboxylate		A,B2QR90.83
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE		A,B1CP80.73
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.71
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.73
RDCRADICICOLA,B2Q8I0.74
RDCRADICICOLA,B1U0Z0.74
RDCRADICICOLA1BGQ0.74
RDCRADICICOLB,D,F,H2ZBK0.74
RDCRADICICOLA2HKJ0.74
RDCRADICICOLA,B,C3CGY0.74
RDCRADICICOLA,B2WER0.74
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.75
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.73
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.76
GENGENISTEINA1QKM0.76
GENGENISTEINA,B1X7J0.76
GENGENISTEINA,B2QA80.76
GENGENISTEINA1X7R0.76
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one		A,B,C,D,E,F3D040.76
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE		A,B1BP80.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.73
3HB3-HYDROXYBENZOIC ACIDA2DKH0.73
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.75
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.75
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL		A,B2G440.71
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
OSB2-SUCCINYLBENZOATEA1FHV0.7
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.7
OSB2-SUCCINYLBENZOATEA,B2QVH0.7
OFF2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-
L-THREO-PENTARIC ACID		A2OFF0.74
2HI(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-4H-CHROMEN-4-ONE		A1ZG30.75
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
3CAA,B2B770.76
34D3,5-DIHYDROXYBENZOATEA,B2BX70.71
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.75
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.79
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.79
SAL2-HYDROXYBENZOIC ACIDA2I300.79
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.79
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.79
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.79
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.79
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.79
SAL2-HYDROXYBENZOIC ACIDA1WYG0.79
SAL2-HYDROXYBENZOIC ACIDA1JGS0.79
SAL2-HYDROXYBENZOIC ACIDX1M6E0.79
SAL2-HYDROXYBENZOIC ACIDA3B9M0.79
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.79
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.79
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.79
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B2BXE0.81
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B3D2T0.81
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one		A,B2QYO0.77
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.75
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE		A2E140.79
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.72
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.7
DH2(2S,3S)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP60.7
FBCA,B2B9A0.7
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE		A,B1JEP0.77
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.71
ESTESTRADIOLA,B1GWR0.71
ESTESTRADIOLA1FDS0.71
ESTESTRADIOLA,B,C1G500.71
ESTESTRADIOLA,B,C,D,E,F1ERE0.71
ESTESTRADIOLA,B1A520.71
ESTESTRADIOLA1FDT0.71
ESTESTRADIOLA2OCF0.71
ESTESTRADIOLA,B,C1QKU0.71
ESTESTRADIOLA,B,C,D,L1E6W0.71
ESTESTRADIOLA1IOL0.71
ESTESTRADIOLH1JNN0.71
ESTESTRADIOLB1QKT0.71
ESTESTRADIOLA1FDW0.71
ESTESTRADIOLA,B1AQU0.71
ESTESTRADIOLA1LHU0.71
ESTESTRADIOLA1A270.71
ESTESTRADIOLL1JGL0.71
ESTESTRADIOLA,B,E,F1PCG0.71
ESTESTRADIOLA,B,C,D1FDU0.71
ESTESTRADIOLA2J7X0.71
ESTESTRADIOLA,B2D060.71
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B146D0.73
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE		A,B207D0.73
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol		A2ZFX0.7
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A2Z9C0.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B1OOQ0.71
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]		A,B,C,D,E,F,
G,H		2F1O0.71
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid		A3FUG0.74
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.75
FHIA,B1Y1D0.78
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		L1FLR0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,B1N0S0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		C,L1T660.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A1X9Q0.75
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID		A,D2NMV0.75
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one		A,B,C,D,E,F3CF90.72
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.73
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE		A2IWU0.74
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.71
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B1ZKY0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.71
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.72
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.72
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.72
SMASTIGMATELLIN AC,H,L,M2JBL0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.72
SMASTIGMATELLIN AA,C,D,E1KB90.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.72
SMASTIGMATELLIN AC,D,E2IBZ0.72
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.72
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.72
SMASTIGMATELLIN AC,D,E1EZV0.72
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.72
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.72
SMASTIGMATELLIN AC,D,E1SQX0.72
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A,B,C,D1H1M0.7
KMP3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-
4H-CHROMEN-4-ONE		A2C1Z0.7
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.73
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.73
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.79
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.7
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate		A2ZA00.75
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid		A,B,C,D2Z770.76
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.79
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIT0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ10.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PIU0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2PKL0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B3D570.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ20.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A2QPY0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NQ00.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A1NUO0.7
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID		A,B2PIN0.7
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1D830.74
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKH0.74
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B1EKI0.74
CPH1,8-DIHYDROXY-7-METHYL-3-(1,3,4-
TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-
2H-ANTHRACEN-9-ONE		A,B,C,D1VAQ0.74
SWFS-WARFARINA,B1OG50.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.71
SIGSTIGMATELLINC,D,E2BCC0.72
SIGSTIGMATELLINC,D,E3BCC0.72
26CA,B2F7I0.7
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.76
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL		A,B2G5O0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid		A,B3BEJ0.78
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.72
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.76
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one		A2ZBH0.78
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.77
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.76
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.73
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE		A2IWX0.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.78
EQUEQUILENINA,B1OGX0.71
EQUEQUILENINA,B,C,D,E,F1QJG0.71
EQUEQUILENINA,B1OH00.71
EQUEQUILENINA1W6Y0.71
EQUEQUILENINA,B1CQS0.71
EQUEQUILENINA1OGZ0.71
EQUEQUILENINA1GS30.71
EQUEQUILENINA1OHO0.71
MAXMATAIRESINOLA2BGM0.75
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.72
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2B1V0.72
ERD(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-
DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-
4-ONE		D,F2NNL0.72
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID		A,D1RDT0.7
MOAMYCOPHENOLIC ACIDA1ME70.76
MOAMYCOPHENOLIC ACIDA,B1JR10.76
MOAMYCOPHENOLIC ACIDA1MEI0.76
MOAMYCOPHENOLIC ACIDA1MEH0.76
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2BT40.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		B,C1JX10.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1JX00.75
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE		A,B1FM70.75
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.74
PHBP-HYDROXYBENZOIC ACIDA1CJ40.72
PHBP-HYDROXYBENZOIC ACIDA1DOB0.72
PHBP-HYDROXYBENZOIC ACIDA1PXB0.72
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.72
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUV0.72
PHBP-HYDROXYBENZOIC ACIDA1PBE0.72
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.72
PHBP-HYDROXYBENZOIC ACIDA1PDH0.72
PHBP-HYDROXYBENZOIC ACIDB2BUW0.72
PHBP-HYDROXYBENZOIC ACIDA1CC40.72
PHBP-HYDROXYBENZOIC ACIDA1CC60.72
PHBP-HYDROXYBENZOIC ACIDA1IUW0.72
PHBP-HYDROXYBENZOIC ACIDA1FW90.72
PHBP-HYDROXYBENZOIC ACIDA1G810.72
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.72
PHBP-HYDROXYBENZOIC ACIDA1IUX0.72
PHBP-HYDROXYBENZOIC ACIDA1CJ30.72
PHBP-HYDROXYBENZOIC ACIDA1D7L0.72
PHBP-HYDROXYBENZOIC ACIDA2PHH0.72
PHBP-HYDROXYBENZOIC ACIDA1BGN0.72
PHBP-HYDROXYBENZOIC ACIDA1PXA0.72
PHBP-HYDROXYBENZOIC ACIDA1DOC0.72
PHBP-HYDROXYBENZOIC ACIDA1K0I0.72
PHBP-HYDROXYBENZOIC ACIDA1BKW0.72
PHBP-HYDROXYBENZOIC ACIDA1JD30.72
PHBP-HYDROXYBENZOIC ACIDA1PXC0.72
PHBP-HYDROXYBENZOIC ACIDA1TT80.72
PHBP-HYDROXYBENZOIC ACIDA1CJ20.72
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.72
PHBP-HYDROXYBENZOIC ACIDA1BF30.72
PHBP-HYDROXYBENZOIC ACIDB2BUR0.72
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		A1GP50.7
DQH(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-
3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-
CHROMEN-4-ONE		D,F2C290.7
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.71
NARNARINGENINA,B2UXU0.75
NARNARINGENINA2BRT0.75
NARNARINGENINA1CGK0.75
NARNARINGENINA,B1EYQ0.75