Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000000751 (Staphylococcus - Mars 2016)
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Data.csv
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3D Models
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Full name of ligand selected in the comparative docking column:
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Quality: [
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Correct
| Uncertain ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
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Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
ADP - [nb=809] --> ADENOSINE-5'-DIPHOSPHATE
ATP - [nb=639] --> ADENOSINE-5'-TRIPHOSPHATE
PLP - [nb=533] --> PYRIDOXAL-5'-PHOSPHATE
NACID - [nb=402] --> .....P*TP*TP*AP*TP*AP*AP*A)-3'
NAP - [nb=345] --> .....NE-DINUCLEOTIDE PHOSPHATE
NAD - [nb=292] --> .....MIDE-ADENINE-DINUCLEOTIDE
CHAIN - [nb=255] --> SITE I OF RES DNA
GDP - [nb=211] --> GUANOSINE-5'-DIPHOSPHATE
HEM - [nb=206] --> .....ORPHYRIN IX CONTAINING FE
ANP - [nb=197] --> .....ONIC ACID-ADENYLATE ESTER
FAD - [nb=184] --> .....AVIN-ADENINE DINUCLEOTIDE
GOL - [nb=167] --> GLYCEROL
AMP - [nb=140] --> ADENOSINE MONOPHOSPHATE
THP - [nb=136] --> .....YMIDINE-3',5'-DIPHOSPHATE
NDP - [nb=109] --> .....NE-DINUCLEOTIDE PHOSPHATE
FMN - [nb=98] --> FLAVIN MONONUCLEOTIDE
CIT - [nb=96] --> CITRIC ACID
COA - [nb=86] --> COENZYME A
EDO - [nb=85] --> 1,2-ETHANEDIOL
AT4 - [nb=84] --> .....OOXY)PHOSPHORYL]ADENOSINE
SUGAR - [nb=80] --> .....(NAG-GCU-NAG-GCU-NAG-GCU)
AGS - [nb=76] --> .....ORIC ACID-ADENYLATE ESTER
GNP - [nb=74] --> .....ONIC ACID-GUANYLATE ESTER
ACY - [nb=57] --> ACETIC ACID
AP5 - [nb=56] --> .....NOSINE)-5'-PENTAPHOSPHATE
ACP - [nb=56] --> .....ONIC ACID ADENYLATE ESTER
TRS - [nb=54] --> .....XYMETHYL-PROPANE-1,3-DIOL
APC - [nb=53] --> .....HONIC ACID ADENOSYL ESTER
UD1 - [nb=53] --> .....PHATE-N-ACETYLGLUCOSAMINE
PMP - [nb=53] --> .....INOPYRIDOXAL-5'-PHOSPHATE
IMP - [nb=50] --> INOSINIC ACID
FMT - [nb=49] --> FORMIC ACID
SAH - [nb=47] --> S-ADENOSYL-L-HOMOCYSTEINE
PRP - [nb=46] --> .....IBOSYLPYROPHOSPHORIC ACID
DGT - [nb=38] --> .....GUANOSINE-5'-TRIPHOSPHATE
U5P - [nb=37] --> URIDINE-5'-MONOPHOSPHATE
5GP - [nb=36] --> .....UANOSINE-5'-MONOPHOSPHATE
SAM - [nb=34] --> S-ADENOSYLMETHIONINE
UMP - [nb=34] --> .....YURIDINE 5'-MONOPHOSPHATE
MET - [nb=32] --> METHIONINE
NAI - [nb=32] --> .....MIDE ADENINE DINUCLEOTIDE
CP - [nb=32] --> .....ACID MONO(FORMAMIDE)ESTER
PEP - [nb=30] --> PHOSPHOENOLPYRUVATE
FLC - [nb=29] --> CITRATE ANION
ASP - [nb=29] --> ASPARTIC ACID
IPE - [nb=28] --> .....L TRIHYDROGEN DIPHOSPHATE
3PG - [nb=28] --> 3-PHOSPHOGLYCERIC ACID
DGL - [nb=27] --> D-GLUTAMIC ACID
DTP - [nb=26] --> .....ADENOSINE 5'-TRIPHOSPHATE
C5P - [nb=25] --> CYTIDINE-5'-MONOPHOSPHATE
SKM - [nb=22] --> .....X-1-ENE-1-CARBOXYLIC ACID
TTP - [nb=22] --> THYMIDINE-5'-TRIPHOSPHATE
PGA - [nb=22] --> ..... (2-PHOSPHOGLYCOLIC ACID)
CYS - [nb=22] --> CYSTEINE
MPD - [nb=22] --> .....-2-METHYL-2,4-PENTANEDIOL
ADE - [nb=21] --> ADENINE
UNL - [nb=21] --> UNKNOWN LIGAND
CTP - [nb=21] --> CYTIDINE-5'-TRIPHOSPHATE
5RP - [nb=21] --> .....AR (RIBULOSE-5-PHOSPHATE)
TDP - [nb=21] --> THIAMIN DIPHOSPHATE
NOV - [nb=21] --> NOVOBIOCIN
BGC - [nb=20] --> SUGAR (BETA-D-GLUCOSE)
GTP - [nb=20] --> GUANOSINE-5'-TRIPHOSPHATE
ADN - [nb=19] --> ADENOSINE
GLC - [nb=18] --> SUGAR (GLUCOSE)
POP - [nb=18] --> PYROPHOSPHATE 2-
DND - [nb=18] --> .....ACID ADENINE DINUCLEOTIDE
128 - [nb=18] --> .....LENE-ADENINE-TRIPHOSPHATE
PGH - [nb=17] --> .....PHOGLYCOLOHYDROXAMIC ACID
DCP - [nb=17] --> .....YCYTIDINE-5'-TRIPHOSPHATE
TPP - [nb=16] --> THIAMINE DIPHOSPHATE
GCP - [nb=16] --> .....ONIC ACID GUANYLATE ESTER
2PG - [nb=16] --> 2-PHOSPHOGLYCERIC ACID
PAL - [nb=16] --> .....ONACETYL)-L-ASPARTIC ACID
IPM - [nb=15] --> 3-ISOPROPYLMALIC ACID
SF4 - [nb=15] --> IRON/SULFUR CLUSTER
ICT - [nb=15] --> ISOCITRIC ACID
12D - [nb=15] --> .....(TRIHYDROGEN DIPHOSPHATE)
PYR - [nb=14] --> PYRUVIC ACID
HPD - [nb=14] --> .....TANE-3,4-DIOL-5-PHOSPHATE
TLA - [nb=14] --> L(+)-TARTARIC ACID
BB2 - [nb=14] --> ACTINONIN
PNS - [nb=14] --> 4'-PHOSPHOPANTETHEINE
THM - [nb=14] --> THYMIDINE
LYS - [nb=14] --> LYSINE
EPE - [nb=13] --> .....AZINE ETHANESULFONIC ACID
MTA - [nb=13] --> .....XY-5'-METHYLTHIOADENOSINE
DPM - [nb=13] --> .....RROL-3-YL}-PROPIONIC ACID
IMD - [nb=13] --> IMIDAZOLE
SUC - [nb=13] --> SUGAR (SUCROSE)
APR - [nb=12] --> .....ENOSINE-5-DIPHOSPHORIBOSE
RIB - [nb=12] --> SUGAR (RIBOSE)
CIR - [nb=12] --> CITRULLINE
GLU - [nb=12] --> GLUTAMIC ACID
PPV - [nb=12] --> PYROPHOSPHATE
FMC - [nb=12] --> .....YL)-1,4-ANHYDRO-D-RIBITOL
MRD - [nb=12] --> .....-2-METHYLPENTANE-2,4-DIOL
URA - [nb=12] --> URACIL
DPO - [nb=11] --> DIPHOSPHATE
CAZ - [nb=11] --> ACYLATED CEFTAZIDIME
DHS - [nb=11] --> .....CYCLOHEX-1-ENECARBOXYLATE
ARG - [nb=11] --> ARGININE
UDP - [nb=11] --> URIDINE-5'-DIPHOSPHATE
RIP - [nb=11] --> .....R (RIBOSE(PYRANOSE FORM))
IPA - [nb=10] --> ISOPROPYL ALCOHOL
SSA - [nb=10] --> .....ERYL)-SULFAMOYL)ADENOSINE
FCN - [nb=10] --> FOSFOMYCIN
TRP - [nb=10] --> TRYPTOPHAN
ADK - [nb=10] --> .....METHYL-3H-PURIN-6-YLAMINE
3PY - [nb=10] --> 3-HYDROXYPYRUVIC ACID
MES - [nb=10] --> .....LINO)-ETHANESULFONIC ACID
SAP - [nb=10] --> .....OSPHATE MONOTHIOPHOSPHATE
P00 - [nb=10] --> .....NEAMINO]OXY-BUTANOIC ACID
PFM - [nb=10] --> .....RIDOXAL-5-OXO-6-HEPTENATE
P1T - [nb=10] --> .....METHYL)AMINO]ACRYLIC ACID
BEZ - [nb=9] --> BENZOIC ACID
THU - [nb=9] --> TETRAHYDRODEOXYURIDINE
PPJ - [nb=9] --> .....DIN-4-YL}METHYL)NORVALINE
NOJ - [nb=9] --> 1-DEOXYNOJIRIMYCIN
DST - [nb=9] --> .....ALLYL S-THIOLODIPHOSPHATE
F6R - [nb=9] --> FRUCTOSE -6-PHOSPHATE
AN2 - [nb=9] --> AMP PHOSPHORAMIDATE
SME - [nb=9] --> METHIONINE SULFOXIDE
TMP - [nb=8] --> THYMIDINE-5'-PHOSPHATE
PLS - [nb=8] --> .....YRIDIN-4-YLMETHYL]-SERINE
YSA - [nb=8] --> .....ROSYL)SULFAMOYL]ADENOSINE
HIS - [nb=8] --> HISTIDINE
XAM - [nb=8] --> .....ETA-D-RIBO-HEXOPYRANOSIDE
39H - [nb=8] --> .....[B,D]FURAN-2-YL)ACETAMIDE
GLP - [nb=8] --> .....(GLUCOSAMINE 6-PHOSPHATE)
SFG - [nb=8] --> ADENOSYL-ORNITHINE
XHP - [nb=8] --> .....DIHYDROPTERIDIN-4(3H)-ONE
2FA - [nb=8] --> .....TETRAHYDRO-FURAN-3,4-DIOL
2FD - [nb=8] --> .....HYL-TETRAHYDRO-FURAN-3-OL
CB3 - [nb=8] --> .....GYL-5,8-DIDEAZAFOLIC ACID
TDI - [nb=8] --> .....YL)METHYL]PYRROLIDIN-3-OL
AKG - [nb=8] --> 2-OXOGLUTARIC ACID
2BA - [nb=8] --> .....AHYDRO-2H,7H-DIFURO[3,2-D
1A1 - [nb=8] --> .....L]CYCLOPROPANECARBOXAMIDE
XMP - [nb=8] --> .....NTHOSINE-5'-MONOPHOSPHATE
IK2 - [nb=7] --> .....NO-PYRIDOXAL-5'-PHOSPHATE
G3P - [nb=7] --> SN-GLYCEROL-3-PHOSPHATE
NCA - [nb=7] --> NICOTINAMIDE
ACO - [nb=7] --> ACETYL COENZYME *A
PMM - [nb=7] --> .....6-YL-METHYL-MONOPHOSPHATE
AMO - [nb=7] --> .....DENOSINE-5'-MONOPHOSPHATE
GIX - [nb=7] --> .....ORPHYRIN IX CONTAINING GA
PDD - [nb=7] --> .....OSPHOPYRIDOXYL)-D-ALANINE
IM2 - [nb=7] --> .....PYRROLE-2-CARBOXYLIC ACID
FPS - [nb=7] --> .....IHYDROGEN THIODIPHOSPHATE
INS - [nb=7] --> .....6-HEXAHYDROXY-CYCLOHEXANE
8OD - [nb=7] --> .....SPHONO HYDROGEN PHOSPHATE
PRF - [nb=7] --> .....AZA-7-AMINOMETHYL-GUANINE
A3P - [nb=7] --> .....ENOSINE-3'-5'-DIPHOSPHATE
ATF - [nb=7] --> .....ONIC ACID-ADENYLATE ESTER
BG6 - [nb=7] --> .....TA-D-GLUCOSE-6-PHOSPHATE)
TZP - [nb=7] --> .....XYETHYLTHIAZOLE PHOSPHATE
PAJ - [nb=7] --> PANTOYL ADENYLATE
DOO - [nb=7] --> .....IMIDO[4,5-B]INDOL-8-AMINE
HSX - [nb=7] --> .....ONO-ALPHA-D-RIBOFURANOSE)
TYR - [nb=7] --> TYROSINE
DCS - [nb=6] --> .....THYL]-N,O-CYCLOSERYLAMIDE
S2C - [nb=6] --> .....-(BORONOETHYL)-L-CYSTEINE
OAD - [nb=6] --> .....ENOSINE-5-DIPHOSPHORIBOSE
PEO - [nb=6] --> HYDROGEN PEROXIDE
ABH - [nb=6] --> .....INO-6-BORONOHEXANOIC ACID
Q21 - [nb=6] --> .....NZOXAZOL-5-YL]PROPANAMIDE
DGG - [nb=6] --> .....EXADECANAL-1-YL]-GLYCEROL
2P0 - [nb=6] --> .....RYL]OXY}ACETYL)-L-PROLINE
6MP - [nb=6] --> 6-METHYLPURINE
LEU - [nb=6] --> LEUCINE
OXY - [nb=6] --> OXYGEN MOLECULE
MNT - [nb=6] --> .....-ADENOSINE-5'-DIPHOSPHATE
GPP - [nb=6] --> GERANYL DIPHOSPHATE
PSQ - [nb=6] --> .....NOPHOSPHINYL)-L-ORNITHINE
OA3 - [nb=6] --> .....HYDROQUINAZOLIN-5(6H)-ONE
LZJ - [nb=6] --> .....-D]PYRIMIDINE-2,7-DIAMINE
CDP - [nb=6] --> CYTIDINE-5'-DIPHOSPHATE
HH2 - [nb=6] --> .....YMETHYLPTERIN-DIPHOSPHATE
JZL - [nb=6] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
LZK - [nb=6] --> .....-D]PYRIMIDINE-2,7-DIAMINE
AR6 - [nb=6] --> .....HORYL] HYDROGEN PHOSPHATE
A2P - [nb=6] --> .....ENOSINE-2'-5'-DIPHOSPHATE
DNB - [nb=6] --> .....THYL)PYRROLIDINE-3,4-DIOL
PAO - [nb=6] --> .....SPHONOACETYL)-L-ORNITHINE
CTS - [nb=6] --> CASTANOSPERMINE
COH - [nb=6] --> .....ORPHYRIN IX CONTAINING CO
I22 - [nb=6] --> .....-HEPT-2-ULOSE 7-PHOSPHATE
DMS - [nb=6] --> DIMETHYL SULFOXIDE
BT5 - [nb=6] --> BIOTINYL-5-AMP
TPS - [nb=6] --> THIAMIN PHOSPHATE
TYD - [nb=6] --> THYMIDINE-5'-DIPHOSPHATE
OA1 - [nb=6] --> .....-(3-BROMOPHENYL)METHANONE
L23 - [nb=6] --> .....OL-4-YL]PYRIMIDIN-2-AMINE
PCP - [nb=6] --> .....TANE-METHANOL-5-PHOSPHATE
2VJ - [nb=6] --> .....IDAZOLE-5-CARBOXYLIC ACID
BIG - [nb=6] --> .....YL)METHYL]PYRROLIDIN-3-OL
OA5 - [nb=6] --> .....,3,5-TRIAZINE-2,4-DIAMINE
PIR - [nb=6] --> .....THYL-PYRROLIDINE-3,4-DIOL
NOS - [nb=6] --> INOSINE
SIN - [nb=6] --> SUCCINIC ACID
UPG - [nb=6] --> .....NE-5'-DIPHOSPHATE-GLUCOSE
L22 - [nb=6] --> .....OL-4-YL)PYRIMIDIN-2-AMINE
CRB - [nb=6] --> .....OHEXANE-1-CARBOXYLIC ACID
ATM - [nb=6] --> .....HYMIDINE-5'-MONOPHOSPHATE
13P - [nb=6] --> .....DIHYDROXYACETONEPHOSPHATE
E4P - [nb=6] --> ERYTHOSE-4-PHOSPHATE
OA2 - [nb=6] --> .....1,3-OXAZOLE-5-CARBOXAMIDE
BA3 - [nb=6] --> .....DENOSINE)-5'-TRIPHOSPHATE
G6P - [nb=5] --> .....HA-D-GLUCOSE-6-PHOSPHATE)
PHS - [nb=5] --> PHOSPHONIC ACID
GLY - [nb=5] --> GLYCINE
MNR - [nb=5] --> .....ORPHYRIN IX CONTAINING MN
UD2 - [nb=5] --> .....ATE-N-ACETYLGALACTOSAMINE
TPT - [nb=5] --> 2,2'
PLM - [nb=5] --> PALMITIC ACID
G4P - [nb=5] --> .....SINE-5',3'-TETRAPHOSPHATE
BMQ - [nb=5] --> .....FURANOSYL)BARBITURIC ACID
DHK - [nb=5] --> 3-DEHYDROSHIKIMATE
SHF - [nb=5] --> LAEVULINIC ACID
IMH - [nb=5] --> .....POXANTHIN-9-YL)-D-RIBITOL
NHE - [nb=5] --> .....MINO]ETHANE SULFONIC ACID
MLC - [nb=5] --> MALONYL-COENZYME A
PT1 - [nb=5] --> PTEROIC ACID
CPS - [nb=5] --> .....MONIO]-1-PROPANESULFONATE
6PG - [nb=5] --> ..... (6-PHOSPHOGLUCONIC ACID)
FDA - [nb=5] --> .....VINE-ADENINE DINUCLEOTIDE
DA - [nb=5] --> .....DENOSINE-5'-MONOPHOSPHATE
PHE - [nb=5] --> PHENYLALANINE
ILE - [nb=5] --> ISOLEUCINE
2PN - [nb=5] --> IMIDODIPHOSPHORIC ACID
DDN - [nb=5] --> .....YURIDINE-5'-MONOPHOSPHATE
LMS - [nb=5] --> .....-FURANYL]METHYL SULFAMATE
RLP - [nb=5] --> .....ZINE-6-YL) PROPIONIC ACID
GUD - [nb=5] --> .....URIDINE-C1,5'-DIPHOSPHATE
TYU - [nb=5] --> TETRAHYDROURIDINE
78H - [nb=5] --> 7,8-DIHYDROPTEROATE
RDL - [nb=5] --> .....5H-8-RIBITYLAMINOLUMAZINE
LPA - [nb=5] --> LIPOIC ACID
PIN - [nb=5] --> .....IS(2-ETHANESULFONIC ACID)
F6P - [nb=5] --> .....AR (FRUCTOSE-6-PHOSPHATE)
P33 - [nb=5] --> .....-HEXAOXAICOSANE-1,20-DIOL
3ZZ - [nb=5] --> .....YRIN IX CONTAINING INDIUM
137 - [nb=5] --> .....XY-D-RIBULOSE-5-PHOSPHATE
GG6 - [nb=5] --> .....OXYPROPYL]PHOSPHONIC ACID
IN5 - [nb=5] --> .....O]-ETHYL}-PHOSPHONIC ACID
PQ0 - [nb=5] --> .....PYRIMIDINE-5-CARBONITRILE
C2F - [nb=5] --> .....,7,8-TETRAHYDROFOLIC ACID
THG - [nb=5] --> .....-5,6,7,8-TETRAHYDROFOLATE
PLG - [nb=5] --> .....HYL-PYRIDIN-4-YL-METHANE]
MTM - [nb=5] --> .....THYL]PYRROLIDINE-3,4-DIOL
GSP - [nb=5] --> .....OSPHATE-MONOTHIOPHOSPHATE
TDM - [nb=5] --> .....L TRIHYDROGEN DIPHOSPHATE
PMT - [nb=5] --> .....2- DIMETHYL-PROPYL] ESTER
NA7 - [nb=5] --> .....YL DIHYDROGEN DIPHOSPHATE
TFG - [nb=5] --> .....PHEN-2-YL}ETHANE-1,1-DIOL
DCM - [nb=5] --> .....CYTIDINE-5'-MONOPHOSPHATE
SAL - [nb=5] --> 2-HYDROXYBENZOIC ACID
CDF - [nb=5] --> CYTIDINE-5'-DIPHOSPHATE
ATR - [nb=5] --> .....OADENOSINE-5'-DIPHOSPHATE
CTN - [nb=5] --> .....ANOSYL-2(1H)-PYRIMIDINONE
PLR - [nb=5] --> .....THYL DIHYDROGEN PHOSPHATE
NAJ - [nb=5] --> .....INUCLEOTIDE (ACIDIC FORM)
UTP - [nb=4] --> URIDINE 5'-TRIPHOSPHATE
PUW - [nb=4] --> .....OSPHONOACETYL)-PUTRESCINE
PGO - [nb=4] --> S-1,2-PROPANEDIOL
B4P - [nb=4] --> .....NOSINE)-5'-TETRAPHOSPHATE
HMN - [nb=4] --> .....CARBOXAMIDO NONANOIC ACID
3QG - [nb=4] --> .....INO)ETHYL]PHOSPHONIC ACID
651 - [nb=4] --> .....ABICYCLO[2.2.2]OCTAN-3-OL
TSN - [nb=4] --> TRICHOSTATIN A
SHL - [nb=4] --> .....H-PYRAN-2-CARBOXYLIC ACID
FPP - [nb=4] --> FARNESYL DIPHOSPHATE
2EY - [nb=4] --> .....ETHOXY}QUINOLIN-2(1H)-ONE
RFW - [nb=4] --> .....D-GLUCOSAMINE-6-PHOSPHATE
DMA - [nb=4] --> DIMETHYLALLYL DIPHOSPHATE
0DN - [nb=4] --> .....-DEOXY-5'-FLUOROTHYMIDINE
PPS - [nb=4] --> .....SINE-5'-PHOSPHATE SULFATE
DGI - [nb=4] --> .....YGUANOSINE-5'-DIPHOSPHATE
FM0 - [nb=4] --> .....PHORYL]OXY}PENTANOIC ACID
FMB - [nb=4] --> FORMYCIN B
BTN - [nb=4] --> BIOTIN
CDM - [nb=4] --> .....L-2-C-METHYL-D-ERYTHRITOL
1KM - [nb=4] --> .....L]SULFANYL-PROPANOIC ACID
3DS - [nb=4] --> .....X-1-ENE-1-CARBOXYLIC ACID
G5A - [nb=4] --> .....GLYCYLSULFAMOYL)ADENOSINE
NXX - [nb=4] --> .....2-YL]-3-CARBOXYPYRIDINIUM
RES - [nb=4] --> .....-ERYTHRONOHYDROXAMIC ACID
NAG - [nb=4] --> ..... (N-ACETYL-D-GLUCOSAMINE)
GGB - [nb=4] --> L-CANAVANINE
MPO - [nb=4] --> .....INO]PROPANE SULFONIC ACID
PAH - [nb=4] --> .....PHONOACETOHYDROXAMIC ACID
AGP - [nb=4] --> .....MINO GLUCITOL-6-PHOSPHATE
CP3 - [nb=4] --> COPROPORPHYRIN III
3L8 - [nb=4] --> .....XY)METHYL]PHOSPHONIC ACID
MAL - [nb=4] --> SUGAR (MALTOSE)
1GP - [nb=4] --> SN-GLYCEROL-1-PHOSPHATE
VGA - [nb=4] --> .....AZEPIN-2-YL]AZETIDIN-3-OL
P5A - [nb=4] --> .....OLYL)-SULFAMOYL)ADENOSINE
3QF - [nb=4] --> .....INO)ETHYL]PHOSPHONIC ACID
HMH - [nb=4] --> .....METHYL-2-METHYLPYRIMIDINE
FGA - [nb=4] --> GAMMA-D-GLUTAMIC ACID
45T - [nb=4] --> .....IYL)}BIS(PHOSPHONIC ACID)
PXG - [nb=4] --> .....OXYL]--AMINO-BENZOIC ACID
2CR - [nb=4] --> .....clopentanecarboxylic acid
C2G - [nb=4] --> .....ERYLPHOSPHORIC ACID ESTER
DAL - [nb=4] --> D-ALANINE
AGO - [nb=4] --> .....,9-DIHYDRO-6H-PURIN-6-ONE
PHQ - [nb=4] --> BENZYL CHLOROCARBONATE
B82 - [nb=4] --> .....RBONYL}AMINO)BENZOIC ACID
URD - [nb=4] --> .....PYRIDINE-2,4(1H,3H)-DIONE
PNM - [nb=4] --> OPEN FORM - PENICILLIN G
TYM - [nb=4] --> TRYPTOPHANYL-5'AMP
GD1 - [nb=4] --> .....OLO[2,3-D]PYRIMIDIN-4-ONE
GDU - [nb=4] --> .....E-URIDINE-5'-DIPHOSPHATE)
MBY - [nb=4] --> .....THYL]PYRROLIDINE-3,4-DIOL
PRO - [nb=4] --> PROLINE
DER - [nb=4] --> .....-4-PHOSPHOERYTHRONIC ACID
QIC - [nb=4] --> .....YCLOHEXANECARBOXYLIC ACID
ROI - [nb=4] --> .....-DIMETHYL-6-HYDROXYPTERIN
2BJ - [nb=4] --> .....MOYL}-4-NITROBENZOIC ACID
C - [nb=4] --> CYTIDINE-5'-MONOPHOSPHATE
B55 - [nb=4] --> .....,9-DIHYDRO-6H-PURIN-6-ONE
BOU - [nb=4] --> .....OLIDINE-4-CARBOXYLIC ACID
RIS - [nb=4] --> .....IDENE BIS-PHOSPHONIC ACID
PCZ - [nb=4] --> PCNOTAXIME GROUP
LMT - [nb=4] --> DODECYL-BETA-D-MALTOSIDE
RLI - [nb=4] --> .....L-2-YL]AMINO}BENZOIC ACID
4TA - [nb=4] --> .....-THYMIDYL))TETRAPHOSPHATE
CKR - [nb=4] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
PGU - [nb=4] --> .....L}METHYL)-L-GLUTAMIC ACID
8CS - [nb=4] --> .....,2]DIOXAPHOSPHININO[4',5'
0O2 - [nb=4] --> .....(TRIHYDROGEN DIPHOSPHATE)
EPU - [nb=4] --> .....LUCOSAMINYL) BUTYRIC ACID
CBD - [nb=4] --> CIBACRON BLUE
URI - [nb=4] --> URIDINE
TLG - [nb=4] --> .....N-1-YL]THIOPHEN-2(5H)-ONE
3L6 - [nb=4] --> .....INO}ETHYL)PHOSPHONIC ACID
P6G - [nb=4] --> HEXAETHYLENE GLYCOL
T3P - [nb=4] --> THYMIDINE-3'-PHOSPHATE
TEU - [nb=4] --> .....GLUCOPYRANOSYL-D-FRUCTOSE
LAQ - [nb=4] --> .....ROXY)PHOSPHORYL]ADENOSINE
1CP - [nb=4] --> COPROPORPHYRIN I
SFR - [nb=4] --> .....HIAZOLE-4-CARBOXYLIC ACID
3L7 - [nb=4] --> .....INO}ETHYL)PHOSPHONIC ACID
HA3 - [nb=3] --> .....L]THIOPHENE-2-CARBOXAMIDE
GOX - [nb=3] --> .....HYDROPYRIDINE-3,4,5-TRIOL
CO2 - [nb=3] --> CARBON DIOXIDE
IFM - [nb=3] --> .....L-3,4-DIHYDROXYPIPERIDINE
EL1 - [nb=3] --> .....no]biphenyl-4-carboxamide
9L9 - [nb=3] --> .....YLAMINO]PENTANEDIOIC ACID
AIR - [nb=3] --> .....OIMIDAZOLE RIBONUCLEOTIDE
GLN - [nb=3] --> GLUTAMINE
E64 - [nb=3] --> .....CYLAMINO-BUTYL]-GUANIDINE
SER - [nb=3] --> SERINE
RVP - [nb=3] --> RIBAVIRIN MONOPHOSPHATE
QEI - [nb=3] --> .....OLO[2,3-D]PYRIMIDIN-4-ONE
AP2 - [nb=3] --> .....HONIC ACID ADENOSYL ESTER
0JD - [nb=3] --> .....DIOXINE-2-CARBOXYLIC ACID
PH2 - [nb=3] --> .....DIHYDRO-3H-PTERIDIN-4-ONE
1PR - [nb=3] --> .....-TRIHYDROXY-PENTYL] ESTER
ISC - [nb=3] --> .....3-DIENE-1-CARBOXYLIC ACID
SRP - [nb=3] --> SERYL ADENYLATE
3AN - [nb=3] --> ..... ADENOSINE-5'-DIPHOSPHATE
LGP - [nb=3] --> .....-GUANINE-3'-MONOPHOSPHATE
AZD - [nb=3] --> .....YTHYMIDINE-5'-DIPHOSPHATE
4VT - [nb=3] --> .....pyrimidine-3-carbonitrile
RAB - [nb=3] --> .....TETRAHYDRO-FURAN-3,4-DIOL
PSU - [nb=3] --> .....OURIDINE-5'-MONOPHOSPHATE
GP9 - [nb=3] --> .....DIHYDROXYPROPYL PHOSPHATE
TBD - [nb=3] --> .....O DIPHOSPHATE (ISOMER RP)
5SP - [nb=3] --> .....AR (RIBULOSE-5-PHOSPHATE)
9F4 - [nb=3] --> .....YCLOPROPANE-1-CARBOXAMIDE
B08 - [nb=3] --> .....YL-ETHYL)-PHOSPHONIC ACID
GA9 - [nb=3] --> .....BENZO[DE]ISOCHROMEN-1-ONE
PTY - [nb=3] --> PHOSPHATIDYLETHANOLAMINE
PHY - [nb=3] --> .....HOSPHORYL-PHOSPHINIC ACID
SRT - [nb=3] --> S,R MESO-TARTARIC ACID
UDZ - [nb=3] --> .....IMINO-AZANYLIDENE-AZANIUM
G2F - [nb=3] --> .....RO-ALPHA-D-GLUCOPYRANOSE)
NX6 - [nb=3] --> .....CARBONYL]-L-ASPARTIC ACID
KOL - [nb=3] --> .....PYRROLE-2-CARBOXYLIC ACID
TOP - [nb=3] --> TRIMETHOPRIM
1B2 - [nb=3] --> .....SULFONYL}-L-THREONINAMIDE
PPE - [nb=3] --> .....PHONOOXYMETHYL-PYRIDINIUM
GP5 - [nb=3] --> .....IGUANOSINE-PENTAPHOSPHATE
PDA - [nb=3] --> .....YL)-AMINO]-PROPIONIC ACID
L21 - [nb=3] --> .....EN-1-YL)-3H-PURIN-6-AMINE
SHH - [nb=3] --> ..... HYDROXYAMIDE PHENYLAMIDE
PUS - [nb=3] --> .....-YL}METHYLIDENE)-L-SERINE
BOG - [nb=3] --> SUGAR (B-OCTYLGLUCOSIDE)
COD - [nb=3] --> DEPHOSPHO COENZYME A
LCS - [nb=3] --> .....THYL DIHYDROGEN PHOSPHATE
9PY - [nb=3] --> .....THYL-3-DEHYDROQUINIC ACID
ALA - [nb=3] --> ALANINE
DG2 - [nb=3] --> .....,3-DIPHOSPHOGLYCERIC ACID
PMS - [nb=3] --> BENZYLSULFINIC ACID
G16 - [nb=3] --> .....GLUCOSE 1,6-BISPHOSPHATE)
EOH - [nb=3] --> ETHANOL
AKB - [nb=3] --> .....-AMINO-3-KETOBUTYRIC ACID
FFT - [nb=3] --> .....1-YL DIHYDROGEN PHOSPHATE
LA8 - [nb=3] --> .....-ADENOSINE-5'-DIPHOSPHATE
URF - [nb=3] --> 5-FLUOROURACIL
OA4 - [nb=3] --> .....YLQUINAZOLINE-2,4-DIAMINE
B29 - [nb=3] --> .....NO-ETHYL]-PHOSPHONIC ACID
BT6 - [nb=3] --> BENZENETHIOL
LZL - [nb=3] --> .....O[6,5-D]PYRIMIDIN-2-AMINE
JMQ - [nb=3] --> .....3,2-D]PYRIMIDIN-4(5H)-ONE
ECX - [nb=3] --> S-ETHYL-L-CYSTEINE
DIO - [nb=3] --> 1,4-DIETHYLENE DIOXIDE
5CA - [nb=3] --> .....INYL)-SULFAMOYL)ADENOSINE
KIV - [nb=3] --> .....METHYL-2-OXOBUTANOIC ACID
TG6 - [nb=3] --> 6-O-PHOSPHONO-D-TAGATOSE
G2P - [nb=3] --> .....ONIC ACID GUANYLATE ESTER
3P1 - [nb=3] --> .....-YLMETHYL)AMINO]ADENOSINE
JZK - [nb=3] --> .....NZIMIDAZOLE-5-CARBOXAMIDE
BGP - [nb=3] --> .....TA-GALACTOSE-6-PHOSPHATE)
FFO - [nb=3] --> .....)BENZOYL]-L-GLUTAMIC ACID
BU1 - [nb=3] --> 1,4-BUTANEDIOL
DOR - [nb=3] --> .....IMIDINE-4-CARBOXYLIC ACID
GAR - [nb=3] --> .....LYCINAMIDE RIBONUCLEOTIDE
DTB - [nb=3] --> .....LIDIN-4-YL)-HEXANOIC ACID
1S6 - [nb=3] --> .....OLIDINE-4-CARBOXYLIC ACID
GN1 - [nb=3] --> .....NO-ALPHA-D-GLUCOPYRANOSE)
IPR - [nb=3] --> ISOPENTYL PYROPHOSPHATE
U - [nb=3] --> URIDINE-5'-MONOPHOSPHATE
LPG - [nb=3] --> L-PROPARGYLGLYCINE
G6Q - [nb=3] --> .....GAR (GLUCOSE-6-PHOSPHATE)
ITT - [nb=3] --> INOSINE 5'-TRIPHOSPHATE
GUN - [nb=3] --> GUANINE
BNG - [nb=3] --> SUGAR (B-NONYLGLUCOSIDE)
PPF - [nb=3] --> PHOSPHONOFORMIC ACID
PLK - [nb=3] --> .....NO]-5-METHYLHEXANOIC ACID
FA5 - [nb=3] --> .....PHENYLALANINYL-PHOSPHATE]
GPA - [nb=3] --> .....-GUANIDINO-PROPIONIC ACID
R5P - [nb=3] --> .....UGAR (RIBOSE-5-PHOSPHATE)
IZC - [nb=3] --> .....-IMIDAZOL-4-YLACETIC ACID
BAL - [nb=3] --> BETA-ALANINE
NSS - [nb=3] --> .....GINYL)SULFAMOYL]ADENOSINE
IUR - [nb=2] --> 5-IODOURACIL
PG4 - [nb=2] --> TETRAETHYLENE GLYCOL
NCW - [nb=2] --> .....1]OCTANE-8-CARBOTHIOAMIDE
DCT - [nb=2] --> .....YCYTIDINE 5'-TRIPHOSPHATE
YLL - [nb=2] --> .....LOHEXANE-1,2,3,4,5-PENTOL
0DF - [nb=2] --> .....IDAZO[4,5-B]PYRIDIN-2-ONE
AHX - [nb=2] --> .....E-ADENOSINE MONOPHOSPHATE
4PA - [nb=2] --> PROPYL ACETATE
1DF - [nb=2] --> .....THOXY-5-NITROBENZOIC ACID
I1S - [nb=2] --> .....ENYLETHYL]PHOSPHONIC ACID
ACJ - [nb=2] --> .....NOXY]-2-NITROBENZOIC ACID
ILP - [nb=2] --> .....ONO-PYRIDOXYL]-ISOLEUCINE
ENA - [nb=2] --> ETHENO-NAD
CRM - [nb=2] --> .....RIDIN-6-YL]PROPANOIC ACID
HE3 - [nb=2] --> .....DROTHIACHROME DIPHOSPHATE
MPJ - [nb=2] --> .....L-PROPYL)-PHOSPHINIC ACID
4W4 - [nb=2] --> .....pyrimidine-3-carbonitrile
2B9 - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE
FG4 - [nb=2] --> .....1H-INDOL-1-YL}ACETIC ACID
4NP - [nb=2] --> 4-NITROPHENYL PHOSPHATE
2DJ - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
DSB - [nb=2] --> 4,7-DIOXOSEBACIC ACID
MIC - [nb=2] --> .....LPHA-METHYLISOCITRIC ACID
2DN - [nb=2] --> .....1H-INDOL-1-YL]ACETIC ACID
DOC - [nb=2] --> .....CYTIDINE-5'-MONOPHOSPHATE
FUC - [nb=2] --> SUGAR (FUCOSE)
AFI - [nb=2] --> .....DROXY-1(2H)-NAPHTHALENONE
H01 - [nb=2] --> .....IN IX 2,4-DISULFONIC ACID
NOY - [nb=2] --> .....YL)PIPERIDINE-2,3,4-TRIOL
MS0 - [nb=2] --> .....NZOFURAN-3-YL)ACETIC ACID
PS7 - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
VZZ - [nb=2] --> .....BONYL)OXY]UNDECANOIC ACID
A33 - [nb=2] --> .....XYMETHYL)-D-ASPARTIC ACID
PL8 - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE
FG6 - [nb=2] --> .....1H-INDOL-1-YL}ACETIC ACID
31Z - [nb=2] --> .....-1-YL]METHYL}BENZOIC ACID
B47 - [nb=2] --> .....ZOL-3-YL}METHYL)CARBAMATE
2DW - [nb=2] --> .....1H-INDOL-1-YL}ACETIC ACID
2DV - [nb=2] --> .....1H-INDOL-1-YL]ACETIC ACID
5AB - [nb=2] --> .....YHEXYL](TRIHYDROXY)BORATE
IFL - [nb=2] --> .....OXYMETHYL)PIPERIDIN-2-ONE
DF9 - [nb=2] --> .....YL)METHYL]PYRROLIDIN-3-OL
CPR - [nb=2] --> .....IBOSIDE, 5'-MONOPHOSPHATE
08B - [nb=2] --> .....-1H-PYRROLE-2-CARBOXAMIDE
GSU - [nb=2] --> .....AMYL-SULFAMOYL)-ADENOSINE
GIM - [nb=2] --> GLUCOIMIDAZOLE
TZD - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
NLG - [nb=2] --> N-ACETYL-L-GLUTAMATE
AQP - [nb=2] --> .....ENOSINE-5'-TETRAPHOSPHATE
GRG - [nb=2] --> .....ERANYLGERANYL DIPHOSPHATE
JJZ - [nb=2] --> .....ROPHENYL)-4-OXOBUTANAMIDE
ISL - [nb=2] --> .....LUCOPYRANOSYL-D-FRUCTOSE)
UFP - [nb=2] --> .....YURIDINE-5'-MONOPHOSPHATE
1FZ - [nb=2] --> .....MINO}PHOSPHORYL]THYMIDINE
2DZ - [nb=2] --> .....1H-INDOL-1-YL]ACETIC ACID
1B3 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
MTH - [nb=2] --> .....TETRAHYDRO-FURAN-3,4-DIOL
1IP - [nb=2] --> .....PHONOACETYL)-L-ASPARAGINE
TB1 - [nb=2] --> .....ENZYLOXY)-L-ASPARTIC ACID
TET - [nb=2] --> .....OSPHONOOXY)PROPIONIC ACID
3FI - [nb=2] --> .....IMINO]METHYL}BENZOIC ACID
GI4 - [nb=2] --> .....UBSTITUTED GLUCOIMIDAZOLE
CEF - [nb=2] --> CEFOTAXIME GROUP
6F0 - [nb=2] --> .....-6-fluoranyl-benzoic acid
X2W - [nb=2] --> .....YL-L-GLUTAMYL 5-PHOSPHATE
B62 - [nb=2] --> .....RAHYDROPTERIDIN-4(3H)-ONE
GTL - [nb=2] --> .....OXYMETHYL)-2-PIPERIDINONE
1PE - [nb=2] --> PENTAETHYLENE GLYCOL
OXZ - [nb=2] --> TETRAHYDROOXAZINE
2DE - [nb=2] --> .....L TRIHYDROGEN DIPHOSPHATE
X16 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
2WU - [nb=2] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
TA8 - [nb=2] --> POLYACRYLIC ACID
CDS - [nb=2] --> .....HIAZINE-4-CARBOXYLIC ACID
LAD - [nb=2] --> .....SINE-5'-[LYSYL-PHOSPHATE]
NDE - [nb=2] --> .....OSYLPYRIDINIUM INNER SALT
ATJ - [nb=2] --> .....THYL HYDROGEN PHOSPHONATE
NHB - [nb=2] --> .....]SULFONYL}AMINO)BENZAMIDE
BMG - [nb=2] --> .....-1H-PYRROLE-2-CARBOXYLATE
SDC - [nb=2] --> .....ULFONYL)ETHYL]-D-CYSTEINE
4VR - [nb=2] --> .....1,5-a]pyrimidin-7(4H)-one
URB - [nb=2] --> .....RIMIDINE-2,4(1H,3H)-DIONE
B61 - [nb=2] --> .....DIHYDROPTERIDIN-4(3H)-ONE
HCE - [nb=2] --> .....OLIDIN-3-YL}-L-METHIONINE
CA8 - [nb=2] --> .....BUTYL] HYDROGEN PHOSPHATE
GBN - [nb=2] --> .....YL)CYCLOHEXYL]ACETIC ACID
21X - [nb=2] --> .....]PYRIMIDINE-5-CARBOXAMIDE
2OP - [nb=2] --> .....)-2-HYDROXYPROPANOIC ACID
AN7 - [nb=2] --> .....YL}-2-OXOBUT-3-ENOIC ACID
2DU - [nb=2] --> .....1H-INDOL-1-YL}ACETIC ACID
LJZ - [nb=2] --> .....OPHENYL)-4-OXOBUTANAMIDE]
HOZ - [nb=2] --> .....4,5-DIAMINOPENTANOIC ACID
PSJ - [nb=2] --> SUGAR (D-PSICOSE)
THR - [nb=2] --> THREONINE
KOP - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE
0J2 - [nb=2] --> .....IDAZIN-3-YL)BUTANOIC ACID
32K - [nb=2] --> .....-1-YL]METHYL}BENZOIC ACID
6PR - [nb=2] --> .....NOACETAMIDO)BUTANOIC ACID
HEA - [nb=2] --> HEME-A
25A - [nb=2] --> .....ONOPHOSPHORYLADENYLYL(2'-
KRS - [nb=2] --> cladosporin
7HP - [nb=2] --> .....PYRAZOLO[4,3-D]PYRIMIDINE
SR1 - [nb=2] --> .....THIO-ALPHA-D-RIBOFURANOSE
DAO - [nb=2] --> LAURIC ACID
PMA - [nb=2] --> PYROMELLITIC ACID
5WB - [nb=2] --> .....HYLPYRIMIDINE-2,4-DIAMINE
ATS - [nb=2] --> .....EADENOSINE-5'-DIPHOSPHATE
CC5 - [nb=2] --> .....RYTHROFURANOSYL-ADENOSINE
FYA - [nb=2] --> .....PHENYLALANINOL-PHOSPHATE]
40N - [nb=2] --> .....[4,5-g]quinolin-8(5H)-one
TAP - [nb=2] --> .....NE-DINUCLEOTIDE PHOSPHATE
SE8 - [nb=2] --> .....]-2,5-DIOXOPENTANOIC ACID
FCD - [nb=2] --> .....L)FURAN-2-CARBOXYLIC ACID
TDK - [nb=2] --> .....-METHYL-1,3-THIAZOL-3-IUM
TZN - [nb=2] --> .....HYDROFURAN-2-YL]METHANONE
KE4 - [nb=2] --> .....THYL)AMINO]PENTANOIC ACID
TDL - [nb=2] --> .....-METHYL-1,3-THIAZOL-3-IUM
0JO - [nb=2] --> .....E]AMINO}PROP-2-ENOIC ACID
GPX - [nb=2] --> .....ANOSINE 5'-DIPHOSPHATE 2'
CMP - [nb=2] --> .....',5'-CYCLIC-MONOPHOSPHATE
B3N - [nb=2] --> .....NO)-7-OXOHEPTYL]BENZAMIDE
CED - [nb=2] --> .....HIAZINE-4-CARBOXYLIC ACID
IFP - [nb=2] --> .....-PYRIMIDIN-4-YLIDENEAMINE
2G6 - [nb=2] --> .....-2-YL)PHOSPHONAMIDIC ACID
673 - [nb=2] --> .....L-4-YL)OXY]PROPAN-1-AMINE
3JL - [nb=2] --> .....ENE-1,2-DICARBOXYLIC ACID
FON - [nb=2] --> FOLINIC ACID
POI - [nb=2] --> .....-4-YL}METHYL)-L-ORNITHINE
FOZ - [nb=2] --> .....)BENZOYL]-L-GLUTAMIC ACID
3HL - [nb=2] --> .....S)-3-HYDROXYBUTANOIC ACID
UEG - [nb=2] --> .....YL)-2-METHYL-PYRIDIN-3-OL
FRU - [nb=2] --> SUGAR (FRUCTOSE)
409 - [nb=2] --> .....SULFONYL}-L-THREONINAMIDE
MIX - [nb=2] --> .....INO)-9,10-ANTHRACENEDIONE
DAR - [nb=2] --> D-ARGININE
2B6 - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE
NCN - [nb=2] --> NICOTINATE MONONUCLEOTIDE
PX5 - [nb=2] --> .....YCYCLOHEXA-2,5-DIEN-1-ONE
DP6 - [nb=2] --> .....Y}-3-METHYLPENTANOIC ACID
LCL - [nb=2] --> .....NYL)PROPAN-2-YL]ACETAMIDE
LY3 - [nb=2] --> .....TRAZOL-5-YL)-BUTYRIC ACID
29W - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
TZE - [nb=2] --> .....HYL-THIAZOL-5-YL)-ETHANOL
G3H - [nb=2] --> .....LYCERALDEHYDE-3-PHOSPHATE
AA5 - [nb=2] --> .....4-YL)METHYLENE]METHIONINE
0GD - [nb=2] --> .....]-4-METHYLPYRIDIN-2-AMINE
2ZW - [nb=2] --> .....1,2-OXAZOLE-4-CARBOXAMIDE
4PS - [nb=2] --> 4'-DIPHOSPHO PANTETHEINE
PEG - [nb=2] --> DI(HYDROXYETHYL)ETHER
636 - [nb=2] --> .....INO]-3-METHYLBENZOIC ACID
IKY - [nb=2] --> .....1,3-OXAZOLE-4-CARBOXAMIDE
AOC - [nb=2] --> .....O-PROP-2-YN-1-YLADENOSINE
NEU - [nb=2] --> L-NEOPTERIN
CGB - [nb=2] --> CALYSTEGINE B2
3FL - [nb=2] --> .....AMINO]METHYL}BENZOIC ACID
DHI - [nb=2] --> D-HISTIDINE
PCT - [nb=2] --> PHOSPHONOACETAMIDE
2DQ - [nb=2] --> .....1H-INDOL-1-YL)ACETIC ACID
NGF - [nb=2] --> .....ACTO-NON-2-ULOSONIC ACID)
T5A - [nb=2] --> .....'-THYMIDYL)PENTAPHOSPHATE
T05 - [nb=2] --> .....ETHYLPHENOXY)BENZOIC ACID
CIE - [nb=2] --> .....]BENZOIC ACID ETHYL ESTER
2BO - [nb=2] --> .....-4-yl}methyl)-L-threonine
N22 - [nb=2] --> .....HYLPYRIMIDINE-2,4-DIAMINE
4NO - [nb=2] --> .....O-2-PHOSPHONOBENZOIC ACID
4W6 - [nb=2] --> .....pyrimidine-3-carbonitrile
GGM - [nb=2] --> .....-METHYLANTHRANILOYL)-BETA
1X9 - [nb=2] --> CERULENIN
IMQ - [nb=2] --> .....THYL)PYRROLIDINE-3,4-DIOL
NTJ - [nb=2] --> .....N-DIMETHYLPHOSPHONAMIDATE
EA5 - [nb=2] --> .....THYL)AMINO]PENTANOIC ACID
1TB - [nb=2] --> .....RBAMOYLSULFAMOYL]BENZOATE
A - [nb=2] --> .....DENOSINE-5'-MONOPHOSPHATE
DLY - [nb=2] --> D-LYSINE
2RA - [nb=2] --> 3-AMINO-D-ALANINE
3FD - [nb=2] --> .....ETHOXYMETHYL]BENZONITRILE
2DK - [nb=2] --> .....1H-INDOL-1-YL}ACETIC ACID
1YP - [nb=2] --> .....-3,3'-BIPYRIDIN-6-YL}UREA
HIO - [nb=2] --> .....XY-N-ISOPROPYLOXAMIC ACID
Z8B - [nb=2] --> .....8-BROMO-5'-DEOXYADENOSINE
OP0 - [nb=2] --> .....]piperidine-2-carboxamide
TTJ - [nb=2] --> .....1,4-dioxane-2-carboxamide
SSM - [nb=2] --> .....METHYLSULFINYL]BUTANAMIDE
MFX - [nb=2] --> .....INOLINE-3-CARBOXYLIC ACID
HAR - [nb=2] --> .....-OMEGA-HYDROXY-L-ARGININE
EOV - [nb=2] --> .....7,20,23,26,29,32-UNDECONE
IGP - [nb=2] --> .....DOLE-3-GLYCEROL PHOSPHATE
087 - [nb=2] --> .....YL)PYRIDINE-4-CARBOXAMIDE
4CT - [nb=2] --> .....YL]METHYL}PYRROLIDIN-3-OL
0J5 - [nb=2] --> .....YRIDAZIN-3-YL)ACETIC ACID
DZ9 - [nb=2] --> .....-B]PYRIDINE-2-CARBOXAMIDE
32E - [nb=2] --> .....N-1-YL]BUTYL}BENZOIC ACID
B75 - [nb=2] --> .....NE-1,1-BISPHOSPHONIC ACID
B57 - [nb=2] --> .....-NITROPYRIMIDIN-4(3H)-ONE
0UE - [nb=2] --> FERRIOXAMINE B
C00 - [nb=2] --> .....H-ISOINDOLE-1,3(2H)-DIONE
XYS - [nb=2] --> SUGAR (XYLOPYRANOSE)
0KX - [nb=2] --> .....AMINO}PHOSPHORYL]CYTIDINE
GGS - [nb=2] --> .....]SULFANYL-PHOSPHINIC ACID
FOU - [nb=2] --> .....RIMIDINE-2,4(1H,3H)-DIONE
DI6 - [nb=2] --> .....LIDIN-4-YL]PROPANOIC ACID
0L1 - [nb=2] --> HEXANEDIOIC ACID
ME8 - [nb=2] --> .....-METHYLSULFANYL-BUTANOATE
PBG - [nb=2] --> .....YRROL-3-YL]PROPANOIC ACID
GSY - [nb=2] --> .....YETHYL)-8-MERCAPTOGUANINE
VPF - [nb=2] --> .....PHONOETHYL]-L-PROLINAMIDE
UDT - [nb=2] --> .....YL HYDROGEN THIOCARBONATE
3CR - [nb=2] --> .....o)-3-phenylpropanoic acid
775 - [nb=2] --> .....pyrimidine-3-carbonitrile
DQA - [nb=2] --> .....YCLOHEXANECARBOXYLIC ACID
1XG - [nb=2] --> .....-OXODODECA-7,10-DIENAMIDE
LTP - [nb=2] --> .....NOSYL}PYRIMIDIN-2(1H)-ONE
HNE - [nb=2] --> .....E,4R)-4-HYDROXYNON-2-ENAL
0DJ - [nb=2] --> .....-B]PYRIDIN-6-YL)BENZAMIDE
B28 - [nb=2] --> .....YL-ETHYL)-PHOSPHONIC ACID
GAX - [nb=2] --> .....-3-(1,3-THIAZOL-2-YL)UREA
TEB - [nb=2] --> .....PYRROLE-2-CARBOXYLIC ACID
RWX - [nb=2] --> .....HIAZOLE-5-CARBOXYLIC ACID
GNH - [nb=2] --> .....ONIC ACID-GUANYLATE ESTER
TCB - [nb=2] --> SUGAR (THIOCELLOBIOSE)
FQP - [nb=2] --> .....LPYRIMIDINE PYROPHOSPHATE
MAP - [nb=2] --> .....DENYLY-IMIDO-TRIPHOSPHATE
MER - [nb=2] --> .....EN-2-EM-3-CARBOXYLIC ACID
883 - [nb=2] --> .....1H-benzimidazol-2-yl]urea
1EU - [nb=2] --> .....MIDAZOL-2-YL)-3-ETHYLUREA
I2H - [nb=2] --> .....YL]PYRIMIDINE-2,4-DIAMINE
G1P - [nb=2] --> .....HA-D-GLUCOSE-1-PHOSPHATE)
FTP - [nb=2] --> .....OOXY-ETHYL)-THIAZOL-3-IUM
ASN - [nb=2] --> ASPARAGINE
RDF - [nb=2] --> .....YL)-L-LEUCYL-L-TRYPTOPHAN
PMN - [nb=2] --> PLATENSIMYCIN
SI3 - [nb=2] --> .....ACTO-NON-2-ULOSONIC ACID)
A5P - [nb=2] --> ARABINOSE-5-PHOSPHATE
0PJ - [nb=2] --> .....HORYL]-L-LEUCYL-L-LEUCINE
Z17 - [nb=2] --> .....IDAZIN-3-YL)BUTANOIC ACID
DTA - [nb=2] --> .....TETRAHYDROFURAN-3,4-DIOL]
ABF - [nb=2] --> .....INOFURANOSE-5'-PHOSPHATE)
NCD - [nb=2] --> N-CARBAMOYL-L-ASPARTATE
UA2 - [nb=2] --> .....YDROXYMETHYL)-2S,3S,4R,5R
PZP - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE
1CS - [nb=2] --> .....L-L,3,5-TRIAZIN-2-YL)UREA
MYB - [nb=2] --> DECARBOXYLATED MYRIOCIN
CMU - [nb=2] --> .....ROLIDINYL) METHYL) URACIL
L34 - [nb=2] --> .....NYLCARBONYL-GLUTAMIC ACID
PP9 - [nb=2] --> PROTOPORPHYRIN IX
GAB - [nb=2] --> 3-AMINOBENZOIC ACID
680 - [nb=2] --> .....LAMINO-5-NITROISOCYTOSINE
COI - [nb=2] --> .....XO-4-METHYLPENTANOIC ACID
2F1 - [nb=2] --> .....L)PHENYL]PROPAN-2-YL}UREA
28F - [nb=2] --> .....O[5,4-B]PYRIDIN-2-YL}UREA
AD3 - [nb=2] --> 3-DEAZA-ADENOSINE
TLH - [nb=2] --> .....L)ETHANOYL]THIOPHEN-2-ONE
A8D - [nb=2] --> .....)-1H-INDOLE-2-CARBOXAMIDE
XYA - [nb=2] --> .....TETRAHYDRO-FURAN-3,4-DIOL
4AD - [nb=2] --> .....DENOSINE-5'-MONOPHOSPHATE
A12 - [nb=2] --> .....HONIC ACID ADENOSYL ESTER
4S4 - [nb=2] --> .....nyl]amino}benzoyl)glycine
28G - [nb=2] --> .....-YL}-3-PROP-2-EN-1-YLUREA
LRY - [nb=2] --> .....YLMANNOSAMINE-6-PHOSPHATE
40B - [nb=2] --> [HYDROXY(1,1'
ZAS - [nb=2] --> .....'-AZIDO-5'-DEOXYADENOSINE
5NB - [nb=2] --> .....8-BROMO-5'-DEOXYADENOSINE
0RA - [nb=2] --> .....-YL)PHENYL]PROPANOIC ACID
M2C - [nb=2] --> .....RIDIN-2-YLBUTANE-1,1-DIOL
A99 - [nb=2] --> .....]OXY}PHOSPHORYL]ADENOSINE
Z70 - [nb=2] --> .....IDAZOL-5-YL)BUTANOIC ACID
2AM - [nb=2] --> .....DENOSINE-2'-MONOPHOSPHATE
CAR - [nb=2] --> .....NE ARABINOSE-5'-PHOSPHATE
2B1 - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE
G5P - [nb=2] --> .....-GUANOSYL) PENTAPHOSPHATE
FA0 - [nb=2] --> .....MINO-4-FLUOROBENZOIC ACID
OAS - [nb=2] --> O-ACETYLSERINE
6GB - [nb=2] --> .....SYL)-BETA-D-GLUCOPYRANOSE
TSB - [nb=2] --> .....ONYL)-SULFAMOYL)ADENOSINE
CA6 - [nb=2] --> .....BUTYL] HYDROGEN PHOSPHATE
PNN - [nb=2] --> PENICILLIN G
BGO - [nb=2] --> .....)GUANOSINE-5'-DIPHOSPHATE
PLT - [nb=2] --> .....4-YLMETHYL]-L-TRYPTOPHANE
DDS - [nb=2] --> .....OXYADENOSINE TRIPHOSPHATE
NMN - [nb=2] --> .....MIDE RIBOSE MONOPHOSPHATE
2SA - [nb=2] --> .....-6-YLAMINO]-SUCCINIC ACID
BE2 - [nb=2] --> 2-AMINOBENZOIC ACID
3B9 - [nb=2] --> .....ROPYL]-4-PHENOXYBENZAMIDE
IMN - [nb=2] --> INDOMETHACIN
THF - [nb=2] --> .....THYLENE-6-HYDROFOLIC ACID
B48 - [nb=2] --> .....HIOPHEN-2-YL-1,3-THIAZOLE
0XT - [nb=2] --> .....THYLPTERIDINE-2,4-DIAMINE
I2E - [nb=2] --> .....IOXOL-5-YL)PROPANOIC ACID
C2R - [nb=2] --> .....IDAZOLE-4-CARBOXYLIC ACID
0HN - [nb=2] --> .....DIOXOLE-5-CARBOXYLIC ACID
13Y - [nb=2] --> .....N-1-YL]BUTYL}BENZOIC ACID
PSZ - [nb=2] --> .....IOPHENE-2-CARBOXYLIC ACID
LYB - [nb=2] --> .....LAMINO}-PENTANEDIOIC ACID
ZGA - [nb=2] --> ZARAGOZIC ACID A
LYD - [nb=2] --> .....NO}-3-METHYL-BUTYRIC ACID
ARB - [nb=2] --> SUGAR (ALPHA-L-ARABINOSE)
CFX - [nb=2] --> CEFOXITIN
6H6 - [nb=2] --> .....L-3(2H)-YL)PROPANOIC ACID
32C - [nb=2] --> .....N-1-YL]BUTYL}BENZOIC ACID
52V - [nb=2] --> .....HYLPYRIMIDINE-2,4-DIAMINE
DOI - [nb=2] --> .....-(PHOSPHONOOXY)-9H-PURINE
2B7 - [nb=2] --> .....-YL]-3-PROP-2-EN-1-YLUREA
2DH - [nb=2] --> .....1H-INDOL-1-YL]ACETIC ACID
PAE - [nb=2] --> PHOSPHONOACETIC ACID
DZ4 - [nb=2] --> .....MINO}PHOSPHORYL]ADENOSINE
PNY - [nb=2] --> .....L)AMINO]PROPYL}BUTANAMIDE
5RG - [nb=2] --> .....MINO-5-FLUOROBENZOIC ACID
16T - [nb=2] --> .....RIMIDINE-2,4(1H,3H)-DIONE
RPL - [nb=2] --> .....HYDANTOCIDIN 5'-PHOSPHATE
9C4 - [nb=2] --> .....-HYDROXY-3-EPIQUINIC ACID
11C - [nb=2] --> .....)-2-AMINOHEXANEDIOIC ACID
07N - [nb=2] --> .....HIAZOLE-5-CARBOXYLIC ACID
21W - [nb=2] --> .....]PYRIMIDINE-5-CARBOXAMIDE
43N - [nb=2] --> .....henyl)methyl]benzoic acid
NAY - [nb=2] --> .....XAMIDO-2-OXONONANOIC ACID
2FP - [nb=1] --> .....DIPHOSPHATE (LINEAR FORM)
TAM - [nb=1] --> .....HYDROXYETHYL)AMINOMETHANE
S60 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
NME - [nb=1] --> METHYLAMINE
11F - [nb=1] --> .....HYLPYRIMIDINE-2,4-DIAMINE
SF8 - [nb=1] --> .....2-HYDROXYBUTANEDIOIC ACID
TYA - [nb=1] --> .....ESTER ADENOSIN-5'YL ESTER
0PI - [nb=1] --> .....PHANONAN-1-OYL]-L-LEUCINE
129 - [nb=1] --> .....O)-ETHYL]-PHOSPHONIC ACID
VAE - [nb=1] --> .....XY}-2-HYDROXYBENZOIC ACID
IYR - [nb=1] --> 3-IODO-TYROSINE
PMV - [nb=1] --> .....OSPHONOOXY)PENTANOIC ACID
WPL - [nb=1] --> .....YCLOHEXANECARBOXYLIC ACID
0EV - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
YE7 - [nb=1] --> .....UINOLINE-2-CARBOHYDRAZIDE
P9C - [nb=1] --> .....2,4-DIHYDROXYBENZOIC ACID
2PH - [nb=1] --> .....HANYL]-PHOSPHONOPHOSPHATE
36F - [nb=1] --> .....-1,3-BENZOXAZOL-2(3H)-ONE
ICA - [nb=1] --> .....SOCITRATE CALCIUM COMPLEX
ZED - [nb=1] --> .....OPYL]-4-(PHENYLTHIO)-, 4S
ACZ - [nb=1] --> CIS-AMICLENOMYCIN
BG2 - [nb=1] --> 8-BROMOGUANOSINE
1DI - [nb=1] --> .....SOINDOL-2-YL)PROPAN-1-ONE
6NA - [nb=1] --> HEXANOIC ACID
TD4 - [nb=1] --> .....UTYL DIHYDROGEN PHOSPHATE
3OD - [nb=1] --> .....RAHYDROFURAN-3-YL ACETATE
MLA - [nb=1] --> MALONIC ACID
A22 - [nb=1] --> .....YL DIHYDROGEN DIPHOSPHATE
0YB - [nb=1] --> .....N-1-YL]BUTYL}BENZOIC ACID
14B - [nb=1] --> .....-3,5-DIMETHYLBENZOIC ACID
HIQ - [nb=1] --> .....METHYL)ETHYL]-L-HISTIDINE
BB4 - [nb=1] --> .....-3-YL)-N-HYDROXYACETAMIDE
EGC - [nb=1] --> .....]-ETHOXY}-ETHOXY)-ETHANOL
FG5 - [nb=1] --> .....1H-INDOL-1-YL)ACETIC ACID
NTZ - [nb=1] --> NOJIRIMYCINE TETRAZOLE
AQO - [nb=1] --> .....AMINOQUINAZOLIN-4(3H)-ONE
2CJ - [nb=1] --> .....L}CYCLOPENTYL)ACETIC ACID
H02 - [nb=1] --> .....IN IX 2,4-DISULFONIC ACID
0GA - [nb=1] --> .....xy}-2-hydroxybenzoic acid
4RG - [nb=1] --> .....HENOXYMETHYL)BENZOIC ACID
CB9 - [nb=1] --> .....OLIDINE-4-CARBOXYLIC ACID
0XS - [nb=1] --> .....PHTHYRIDINE-3-CARBOXAMIDE
AEK - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
PM4 - [nb=1] --> .....MINO}ETHYL) HEXANETHIOATE
BU3 - [nb=1] --> (R,R)-2,3-BUTANEDIOL
0WX - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
NNH - [nb=1] --> .....-OMEGA-HYDROXY-L-ARGININE
KAM - [nb=1] --> .....HYL-PYRIDIN-4-YL-METHANE]
OSA - [nb=1] --> .....PHTHALENE-2-SULFONIC ACID
SB9 - [nb=1] --> .....DIN-2-YL)PROPYL]FORMAMIDE
BAN - [nb=1] --> .....NYLGLYCINE-P-NITROANILIDE
MAQ - [nb=1] --> .....ETHYLQUINAZOLIN-4(3H)-ONE
5NU - [nb=1] --> 5-nitrouracil
830 - [nb=1] --> .....L]AMINO}ETHYL)PHOSPHONATE
0G8 - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
2B5 - [nb=1] --> .....1H-INDOL-1-YL)ACETIC ACID
GNG - [nb=1] --> 2'-DEOXY-GUANOSINE
B6P - [nb=1] --> .....ENOSINE-5') HEXAPHOSPHATE
HAD - [nb=1] --> .....YDROXYAMINO)ETHANOIC ACID
3NZ - [nb=1] --> .....L-TYROSYL)AMINO]ADENOSINE
IDE - [nb=1] --> .....,2-A]PYRIDINE-6,7,8-TRIOL
W29 - [nb=1] --> .....HEN-2-YL)BENZENE-1,2-DIOL
ACE - [nb=1] --> ACETYL GROUP
TSZ - [nb=1] --> HYDRAZINECARBOTHIOAMIDE
OBZ - [nb=1] --> O-BENZYLHYDROXYLAMINE
0HY - [nb=1] --> .....]PYRIDAZIN-3-YL)BUTANOATE
B3R - [nb=1] --> 3-BROMOPHENOL
UBX - [nb=1] --> .....L]-N-METHYL-L-LEUCINAMIDE
B49 - [nb=1] --> .....-1H-PYRROLE-3-CARBOXAMIDE
IXN - [nb=1] --> .....BONYL]SULFAMOYL}ADENOSINE
CXU - [nb=1] --> CLOXACILLIN (OPEN FORM)
BXA - [nb=1] --> BROMOACETIC ACID
DCK - [nb=1] --> .....TRIMETHYLPROPAN-1-AMINIUM
MTY - [nb=1] --> META-TYROSINE
PYM - [nb=1] --> PYRUVAMIDE
0Y5 - [nb=1] --> .....THYL)PHENOXY]BENZOIC ACID
DEP - [nb=1] --> DIETHYL PHOSPHONATE
COZ - [nb=1] --> COENZYME A
PPY - [nb=1] --> 3-PHENYLPYRUVIC ACID
RC1 - [nb=1] --> .....OHEXENE-1-CARBOXYLIC ACID
TLO - [nb=1] --> .....]OXY}PHOSPHORYL]THYMIDINE
WM4 - [nb=1] --> BENZOHYDRAZIDE
YE6 - [nb=1] --> .....YL)FURAN-2-CARBOHYDRAZIDE
5UC - [nb=1] --> .....rimidine-2,4(1H,3H)-dione
AZR - [nb=1] --> AZTREONAM
2G7 - [nb=1] --> .....-2-YL)PHOSPHONAMIDIC ACID
VGL - [nb=1] --> .....YRAZINE-2-CARBOXYLIC ACID
RBL - [nb=1] --> SUGAR (D-RIBULOSE)
RWY - [nb=1] --> .....PHENOXY)ETHYL THIOCYANATE
BM3 - [nb=1] --> .....OXY-ALPHA-D-MANNOPYRANOSE
6MD - [nb=1] --> N-METHYLADENOSINE
WM3 - [nb=1] --> BENZENESULFONOHYDRAZIDE
PRT - [nb=1] --> PHOSPHORIBOSYL ATP
0W1 - [nb=1] --> .....YRAZOLE-5-CARBOXYLIC ACID
J60 - [nb=1] --> .....-1H-PYRROLE-3-CARBOXAMIDE
0DI - [nb=1] --> .....PERAZIN-1-YL]PROPAN-1-ONE
3YW - [nb=1] --> .....y-alpha-D-glucopyranoside
G1L - [nb=1] --> .....METHYL)PHENYL]PROPANAMIDE
Z25 - [nb=1] --> .....DAZIN-3-YL)PROPANOIC ACID
7RD - [nb=1] --> .....N-1-YL)THIOPHEN-2(5H)-ONE
0OJ - [nb=1] --> .....OXYADENOSINE TRIPHOSPHATE
5AL - [nb=1] --> .....ROXY)PHOSPHORYL]ADENOSINE
62D - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
DAC - [nb=1] --> .....ENOYL N-ACETYL CYSTEAMINE
FG3 - [nb=1] --> .....1H-INDOL-1-YL)ACETIC ACID
NIC - [nb=1] --> NITROISOCITRIC ACID
LLX - [nb=1] --> .....NOBIPHENYL-3-YL)BENZAMIDE
302 - [nb=1] --> .....,7-DIEN-1-YL]BENZOIC ACID
IVH - [nb=1] --> .....-(BUTYLSULFANYL)ADENOSINE
37R - [nb=1] --> .....enoxazin-2-yl)pentanamide
AWH - [nb=1] --> .....LIDENE]AMINO]BENZOIC ACID
FC2 - [nb=1] --> .....LOROPHENYL)-2-FUROIC ACID
CIY - [nb=1] --> .....METHOXYPHENYL)PROP-2-ENAL
UNU - [nb=1] --> BENZAMIDE
840 - [nb=1] --> PLATENSIMYCIN A1
RBF - [nb=1] --> RIBOFLAVIN
TPR - [nb=1] --> TOSYL-D-PROLINE
CER - [nb=1] --> .....ANS,TRANS-DODECADIENAMIDE
7LN - [nb=1] --> .....IOPHENE-2-CARBOXIMIDAMIDE
204 - [nb=1] --> .....RBOXYLIC ACID ETHYL ESTER
THV - [nb=1] --> .....ROPYL-THIAMIN DIPHOSPHATE
7S9 - [nb=1] --> .....-4-METHYL-PYRIDIN-2-AMINE
3BH - [nb=1] --> .....XYMETHYL)OXOLANE-3,4-DIOL
3HC - [nb=1] --> .....YDROXYBUTANOYL-COENZYME A
A2D - [nb=1] --> .....L} DIHYDROGEN DIPHOSPHATE
NAU - [nb=1] --> .....LCARBOXAMIDONONANOIC ACID
NB8 - [nb=1] --> .....ROXY)PHOSPHORYL]ADENOSINE
3BK - [nb=1] --> .....XYMETHYL)OXOLANE-3,4-DIOL
S7B - [nb=1] --> .....OXY]-3-METHYLBENZOIC ACID
OXD - [nb=1] --> OXALIC ACID
J1C - [nb=1] --> .....IN-4-YL]-5'-THIOADENOSINE
0OW - [nb=1] --> .....}PYRIMIDINE-5-CARBOXAMIDE
AHY - [nb=1] --> .....NO-2-HYDROXYDECANOIC ACID
GUO - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
MTX - [nb=1] --> METHOTREXATE
A04 - [nb=1] --> .....OXY)PHENYL]-2-FUROIC ACID
3LX - [nb=1] --> TRIDECANETHIAL
LZS - [nb=1] --> .....RIFLUOROETHANESULFONAMIDE
209 - [nb=1] --> .....7-DIHYDROPURINE-2,6-DIONE
2LG - [nb=1] --> .....IETHYLSULFAMOYL-BENZAMIDE
SB7 - [nb=1] --> .....ENYLPROPYL)AMINO]METHANOL
FMR - [nb=1] --> FUMARATE
MMP - [nb=1] --> N-METHYLMESOPORPHYRIN
39S - [nb=1] --> .....-GLUTAMYL-L-GLUTAMIC ACID
DZD - [nb=1] --> .....ROXY)PHOSPHORYL]ADENOSINE
XG4 - [nb=1] --> .....MINO}PHOSPHORYL]GUANOSINE
UBS - [nb=1] --> .....PHORYL]-L-LEUCYL-L-VALINE
5AE - [nb=1] --> .....)-1,3,5-TRIAZIN-2(1H)-ONE
PBE - [nb=1] --> 1,1-DIMETHYL-PROLINIUM
0V5 - [nb=1] --> .....OSPHONOOXY)PROPANOIC ACID
AEP - [nb=1] --> .....]-2-METHYL-PROPIONIC ACID
FGR - [nb=1] --> .....BETA-D-RIBOFURANOSYLAMINE
M1P - [nb=1] --> .....R (D-MANNOSE 1-PHOSPHATE)
53T - [nb=1] --> .....HYLPYRIMIDINE-2,4-DIAMINE
B70 - [nb=1] --> .....PHONATOBUTANE-1-SULFONATE
H1D - [nb=1] --> .....OPYLMERCAPTO]BUTYRIC ACID
THJ - [nb=1] --> THIOSULFATE
AYC - [nb=1] --> ALAREMYCIN 2
I3P - [nb=1] --> .....OSITOL-1,4,5-TRIPHOSPHATE
8OP - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
HMS - [nb=1] --> D-ribulose 5-phosphate
L4C - [nb=1] --> .....Y]IMINO}PENTANEDIOIC ACID
P53 - [nb=1] --> .....20-DIEN-1-AMINIUM 4-OXIDE
FOL - [nb=1] --> FOLIC ACID
1VL - [nb=1] --> .....,3-DIHYDRO-2H-INDOL-2-ONE
S3B - [nb=1] --> .....PROPANOYLOXY)BENZOIC ACID
1NS - [nb=1] --> .....]PYRIMIDINE-6-CARBOXAMIDE
M3C - [nb=1] --> .....AZOL-2-YL)BUTANE-1,1-DIOL
98J - [nb=1] --> .....DROXY-3-OXOPENTANOIC ACID
2H0 - [nb=1] --> .....-2-YL)PHOSPHONAMIDIC ACID
0FW - [nb=1] --> .....ENE-1,2-DICARBOXYLIC ACID
2AI - [nb=1] --> 1H-IMIDAZOL-2-AMINE
IGM - [nb=1] --> .....IN-4-YLSULFONYL-BENZAMIDE
GAL - [nb=1] --> SUGAR (D-GALACTOSE)
1NQ - [nb=1] --> .....IOPHENE-2,5-DICARBOXAMIDE
CO6 - [nb=1] --> ISOBUTYRYL-COENZYME A
2K8 - [nb=1] --> .....ERIDINE-6-CARBOXYLIC ACID
A4P - [nb=1] --> .....METHYL)-7,8-DIHYDROPTERIN
S25 - [nb=1] --> .....YL)PYRIDINE-3-CARBOXAMIDE
1LG - [nb=1] --> .....INE-4-SULFONYL)-BENZAMIDE
BRD - [nb=1] --> .....FURANOSYL-1,3-DIAZEPINONE
FCK - [nb=1] --> .....AMINO}METHYL)BENZOIC ACID
20Y - [nb=1] --> .....HEN-2-YL)PHENYL]BENZAMIDE
0OC - [nb=1] --> .....YLTHIOPHENE-3-SULFONAMIDE
0OV - [nb=1] --> .....DIN-8(5H)-YL]ACETONITRILE
32B - [nb=1] --> .....-1-YL]PROPYL}BENZOIC ACID
THY - [nb=1] --> .....BUTYL-THIAMIN DIPHOSPHATE
PK3 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
3RX - [nb=1] --> .....C-2-YL]ETHANE-1,2-DIAMINE
GGG - [nb=1] --> GLYCYLGLYCYLGLYCINE
1X4 - [nb=1] --> .....DIDEOXYRIBOSE-5-PHOSPHATE
H49 - [nb=1] --> .....IOPHENE-2-CARBOXIMIDAMIDE
SM8 - [nb=1] --> SIMOCYCLINONE D8
QUE - [nb=1] --> .....3',4'-PENTAHYDROXYFLAVONE
OXM - [nb=1] --> OXAMIC ACID
0NP - [nb=1] --> .....,2-DIEN-2-IUM-1-YLURIDINE
1NR - [nb=1] --> .....]PYRIMIDINE-6-CARBOXAMIDE
977 - [nb=1] --> .....MO-6-PHENYLPYRIMIDIN-4-OL
0PK - [nb=1] --> .....HORYL]-L-LEUCYL-L-ALANINE
1X8 - [nb=1] --> .....YRIDINE-2,7-DICARBOXAMIDE
TUL - [nb=1] --> .....ihydropyrimidin-4(1H)-one
PSB - [nb=1] --> .....LFANYL)-BENZYL]-BENZAMIDE
I1E - [nb=1] --> 1-PHENYLPROPAN-1-ONE
LZR - [nb=1] --> .....THOXYQUINAZOLIN-4(3H)-ONE
4V4 - [nb=1] --> .....IMETHYLETHANE-1,2-DIAMINE
EOP - [nb=1] --> .....YL)]}BIS(PHOSPHONIC ACID)
B53 - [nb=1] --> .....ITROSOPYRIMIDIN-4(3H)-ONE
ICP - [nb=1] --> .....-PYRIMIDIN-4-YLIDENEAMINE
DC - [nb=1] --> .....CYTIDINE-5'-MONOPHOSPHATE
IHP - [nb=1] --> INOSITOL HEXAKISPHOSPHATE
DTH - [nb=1] --> D-THREONINE
DWZ - [nb=1] --> .....PYRROLE-5-CARBOXYLIC ACID
5CI - [nb=1] --> .....]AMINO}-5'-DEOXYADENOSINE
NMU - [nb=1] --> N-METHYLUREA
RWZ - [nb=1] --> .....C-2-YL]ETHANE-1,2-DIAMINE
B56 - [nb=1] --> .....ERIDINE-6-CARBOXYLIC ACID
GLV - [nb=1] --> GLYOXYLIC ACID
0YZ - [nb=1] --> .....OXY-4-OXOBUT-2-ENOIC ACID
3II - [nb=1] --> .....RO[4.5]DEC-3-YL}ACETAMIDE
J1D - [nb=1] --> .....LFONYL}-5'-DEOXYADENOSINE
3BD - [nb=1] --> .....]PYRIMIDINE-6-CARBOXAMIDE
55V - [nb=1] --> .....YL]PYRIMIDINE-2,4-DIAMINE
6UA - [nb=1] --> .....rimidine-2,4(3H,5H)-dione
GLA - [nb=1] --> SUGAR (D-GALACTOSE)
BYA - [nb=1] --> .....NYLCARBONYL)-BETA-ALANINE
45P - [nb=1] --> .....DICHLOROBENZYL)-BENZAMIDE
KAH - [nb=1] --> .....NO-4-HYDROXYHEXANOIC ACID
SPD - [nb=1] --> SPERMIDINE
VPP - [nb=1] --> .....OLIDINE-4-CARBOXYLIC ACID
9DA - [nb=1] --> 9-DEAZAADENINE
3PO - [nb=1] --> TRIPHOSPHATE
LYN - [nb=1] --> .....AMINO-HEXANOIC ACID AMIDE
545 - [nb=1] --> .....- ACETIC ACID BUTYL ESTER
DFP - [nb=1] --> DIISOPROPYL PHOSPHONATE
TP6 - [nb=1] --> .....ETRIONE-7-YL) 1-PHOSPHATE
PML - [nb=1] --> PIMELIC ACID
B76 - [nb=1] --> [1-HYDROXY-2-(1,1'
AQ3 - [nb=1] --> .....XYPHENYL)AMINO]-D-ALANINE
RSM - [nb=1] --> .....METHYLSULFINYL]BUTANAMIDE
20C - [nb=1] --> .....SOINDOL-2-YL)BENZOIC ACID
3BA - [nb=1] --> .....]PYRIMIDINE-6-CARBOXAMIDE
7MN - [nb=1] --> .....1H)-YLIDENE}METHANAMINIUM
RP5 - [nb=1] --> .....PHONO-BETA-D-RIBOFURANOSE
2V6 - [nb=1] --> .....O[1,5-A]PYRIMIDIN-7-AMINE
03L - [nb=1] --> .....YL}CARBAMOYL)BENZOIC ACID
M0E - [nb=1] --> MOENOMYCIN
PYZ - [nb=1] --> 4-IODOPYRAZOLE
P09 - [nb=1] --> .....YL]CARBAMOYL}BENZOIC ACID
SRA - [nb=1] --> .....NE -5'-THIO-MONOPHOSPHATE
FOS - [nb=1] --> .....YL)AMINO]METHYL]PHOSPHATE
1U4 - [nb=1] --> .....-L-PHENYLALANYL-L-LEUCINE
AIS - [nb=1] --> .....OIMIDAZOLE RIBONUCLEOSIDE
GI2 - [nb=1] --> .....UBSTITUTED GLUCOIMIDAZOLE
NTC - [nb=1] --> .....NITROMETHYL SUCCINIC ACID
TBN - [nb=1] --> .....TETRAHYDRO-FURAN-3,4-DIOL
22L - [nb=1] --> .....2,3-D]PYRIMIDIN-4(3H)-ONE
B60 - [nb=1] --> .....DIHYDROPTERIDIN-4(3H)-ONE
0ZN - [nb=1] --> .....YL]-L-LEUCYL-L-TRYPTOPHAN
1Q6 - [nb=1] --> .....(4-METHYLPYRIDIN-2-AMINE)
T03 - [nb=1] --> .....LFANYL]-4H-1,2,4-TRIAZOLE
3NM - [nb=1] --> .....HIAZOLE-2-CARBOXYLIC ACID
FCB - [nb=1] --> SUGAR (BETA-D-FUCOSE)
GI1 - [nb=1] --> .....UBSTITUTED GLUCOIMIDAZOLE
4U7 - [nb=1] --> .....YL](TRIHYDROXY)BORATE(1-)
HPA - [nb=1] --> HYPOXANTHINE
UBV - [nb=1] --> .....YL]-L-LEUCYL-L-ISOLEUCINE
2WP - [nb=1] --> .....YL}SULFANYL)BUTANOIC ACID
2ER - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
KDG - [nb=1] --> 2-KETO-3-DEOXYGLUCONATE
GUA - [nb=1] --> GLUTARIC ACID
NPR - [nb=1] --> .....PROPYL)-4(1H)-PTERIDINONE
3G9 - [nb=1] --> .....azin-1-yl]phenyl}ethanone
LX1 - [nb=1] --> L-XYLULOSE 5-PHOSPHATE
TMF - [nb=1] --> .....THYLENE-6-HYDROFOLIC ACID
M6P - [nb=1] --> .....PHA-D-MANNOSE-6-PHOSPHATE
PM5 - [nb=1] --> .....INO}ETHYL) HEPTANETHIOATE
F89 - [nb=1] --> .....SOINDOLINYL)GLUTARIC ACID
A15 - [nb=1] --> .....BENZO[DE]ISOCHROMEN-1-ONE
5H4 - [nb=1] --> .....IOPHENE-2-CARBOXIMIDAMIDE
3QE - [nb=1] --> .....IYL)}BIS(PHOSPHONIC ACID)
HSE - [nb=1] --> L-HOMOSERINE
UBT - [nb=1] --> .....OSPHORYL]-L-LEUCYLGLYCINE
0OX - [nb=1] --> .....)PYRIMIDINE-5-CARBOXAMIDE
0WD - [nb=1] --> .....METHYL HYDROGEN PHOSPHATE
SB8 - [nb=1] --> .....Y)ETHYL(HYDROXY)FORMAMIDE
BIY - [nb=1] --> .....INE-3,6-DICARBOXYLIC ACID
53R - [nb=1] --> .....HYLPYRIMIDINE-2,4-DIAMINE
UBZ - [nb=1] --> .....EUCYL}AMINO)BUTANOIC ACID
UAG - [nb=1] --> .....OYL-L-ALANINE-D-GLUTAMATE
GAP - [nb=1] --> .....YL-ADENOSINE-5'-PHOSPHATE
15N - [nb=1] --> .....DIOXINE-2-CARBOXYLIC ACID
SCO - [nb=1] --> SUCCINAMIDE-COA
3JM - [nb=1] --> .....ENE-1,2-DICARBOXYLIC ACID
F5M - [nb=1] --> .....XANTHEN-9-YL)BENZOIC ACID
FLQ - [nb=1] --> .....'-XANTHENE]-6-CARBOXAMIDE
VO3 - [nb=1] --> TETRAMETAVANADATE
ADI - [nb=1] --> .....YADENOSINE-5'-DIPHOSPHATE
AF - [nb=1] --> 2-AMINOFLUORENE
2EL - [nb=1] --> .....YL}METHYL)PYRROLIDIN-3-OL
6M1 - [nb=1] --> .....MINO-6-METHYLBENZOIC ACID
FGS - [nb=1] --> .....XY-1-O-PHOSPHONO-L-IDITOL
0G4 - [nb=1] --> .....RYL]AMINO]PHOSPHONIC ACID
GSH - [nb=1] --> GLUTATHIONE
LNO - [nb=1] --> L-LEUCYL-HYDROXYLAMINE
J1A - [nb=1] --> .....IN-4-YL]-5'-THIOADENOSINE
TXA - [nb=1] --> .....HREONYLCARBAMOYLADENYLATE
ZNB - [nb=1] --> .....AN-2-YL]METHYL]ETHANAMIDE
40E - [nb=1] --> .....pan-2-ylamino)acetic acid
LSA - [nb=1] --> .....ZOL-3(2H)-ONE 1,1-DIOXIDE
KOU - [nb=1] --> .....-YL}METHYLIDENE)-L-SERINE
0V2 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
1QE - [nb=1] --> .....IOPHENE-2-CARBOXIMIDAMIDE
4MV - [nb=1] --> 4-METHYL VALERIC ACID
1X7 - [nb=1] --> .....-C]PYRIDINE-7-CARBOXAMIDE
2CN - [nb=1] --> .....ZYL]SULFANYL}BENZOIC ACID
MPH - [nb=1] --> .....L-PROPYL)-PHOSPHONIC ACID
SON - [nb=1] --> .....SINE PHOSPHONOACETIC ACID
B63 - [nb=1] --> .....)ETHYL]AMINO}BENZOIC ACID
46M - [nb=1] --> .....HYLIDENE)-BETA-D-GLUCOSE)
J1B - [nb=1] --> .....IN-4-YL]-5'-THIOADENOSINE
16X - [nb=1] --> .....LPHENYL)PYRIMIDIN-2-AMINE
5LI - [nb=1] --> .....OXY)AMINO]ETHYL}BENZAMIDE
BTX - [nb=1] --> .....PENTYL HYDROGEN PHOSPHATE
CSS - [nb=1] --> S-MERCAPTOCYSTEINE
XAP - [nb=1] --> 3-AMINOOXY-1-AMINOPROPANE
2G8 - [nb=1] --> .....-2-YL)PHOSPHONAMIDIC ACID
B69 - [nb=1] --> .....PHONATOBUTANE-1-SULFONATE
DMU - [nb=1] --> .....L-BETA-D-MALTOPYRANOSIDE)
DTV - [nb=1] --> .....DIMERCAPTOBUTANE-2,3-DIOL
EXI - [nb=1] --> .....IMETHYLETHANE-1,2-DIAMINE
3RG - [nb=1] --> .....METHYL)AMINO]BENZOIC ACID
DPR - [nb=1] --> D-PROLINE
AL0 - [nb=1] --> .....(NITROSO)AMINO]-L-ALANINE
5OP - [nb=1] --> .....OSTA-5,13-DIEN-1-OIC ACID
2MQ - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
19X - [nb=1] --> .....LFANYL)-1H-ISOINDOL-1-ONE
CEW - [nb=1] --> .....HIAZINE-4-CARBOXYLIC ACID
FES - [nb=1] --> .....E2/S2 (INORGANIC) CLUSTER
MYG - [nb=1] --> .....-(ALPHA-6)-D-MYO-INOSITOL
WOC - [nb=1] --> .....-DIMETHYLBUTANEDIOIC ACID
1SE - [nb=1] --> .....YL}PYRIDINE-2-CARBOXAMIDE
XSP - [nb=1] --> .....OSPHONOOXY)PROPANOIC ACID
A5A - [nb=1] --> .....ANYL)-SULFAMOYL)ADENOSINE
NLP - [nb=1] --> .....O-PENTYL)-PHOSPHONIC ACID
ORN - [nb=1] --> L-ORNITHINE
UB3 - [nb=1] --> .....PHORYL]-L-VALYL-L-LEUCINE
383 - [nb=1] --> ......1]OCT-3-YL)- ACETIC ACID
ALO - [nb=1] --> ALLO-THREONINE
RPD - [nb=1] --> .....HYDANTOCIDIN 5'-PHOSPHATE
UVW - [nb=1] --> ACETYLPHOSPHATE
ADJ - [nb=1] --> .....DE-ADENYLATE INTERMEDIATE
AYD - [nb=1] --> .....O}PENT-3-ENYL DIPHOSPHATE
DAH - [nb=1] --> .....,4-DIHYDROXYPHENYLALANINE
FUP - [nb=1] --> .....-URIDIDINE-5'-DIPHOSPHATE
KAP - [nb=1] --> .....TO-8-AMINOPELARGONIC ACID
D16 - [nb=1] --> TOMUDEX
BB0 - [nb=1] --> .....)NAPHTHALEN-2-YL]ETHANONE
GST - [nb=1] --> .....RANYL S-THIOLODIPHOSPHATE
19Y - [nb=1] --> .....PYRIMIDINE-5-CARBALDEHYDE
FB6 - [nb=1] --> .....YL)-2-METHYL-L-NORLEUCINE
HPY - [nb=1] --> .....IHYDRO-1H-PYRIMIDIN-2-ONE
FEO - [nb=1] --> MU-OXO-DIIRON
PVC - [nb=1] --> .....ITOYLOXY)HEX-2-ENOIC ACID
0FA - [nb=1] --> .....~-PHOSPHONO-L-LEUCINAMIDE
2GC - [nb=1] --> .....-2-YL)PHOSPHONAMIDIC ACID
D38 - [nb=1] --> .....-METHYLBUTANOYL]-L-LYSINE
SIE - [nb=1] --> .....ENYL)-1H-INDOL-6-YL ESTER
5C1 - [nb=1] --> .....1,3-OXAZOLE-2-CARBOXAMIDE
UB2 - [nb=1] --> .....HORYL]-L-ALANYL-L-LEUCINE
HMG - [nb=1] --> .....METHYLGLUTARYL-COENZYME A
UBU - [nb=1] --> .....YL]-N-ETHYL-L-LEUCINAMIDE
UBW - [nb=1] --> .....RYL]-L-LEUCYL-L-NORVALINE
L24 - [nb=1] --> .....L]-CARBONYL-GLUTAMIC ACID
L37 - [nb=1] --> .....L]-CARBONYL-GLUTAMIC ACID
LLF - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
MPU - [nb=1] --> D-MONAPTERIN
AIC - [nb=1] --> .....HEPTANE-2-CARBOXYLIC ACID
STU - [nb=1] --> STAUROSPORINE
485 - [nb=1] --> .....-PYRAN-2-YL)- ACETIC ACID
FBP - [nb=1] --> .....FRUCTOSE-1,6-DIPHOSPHATE)
BBI - [nb=1] --> .....,5-DIIODOPHENYL}METHANONE
TXE - [nb=1] --> .....LAN-2-YL]METHYL PHOSPHATE
1SM - [nb=1] --> .....L}AMINO)SULFONYL]BENZOATE
4OX - [nb=1] --> 4-OXODECANEDIOIC ACID
BAP - [nb=1] --> .....-TETRAHYDROBENZO[A]PYRENE
CTJ - [nb=1] --> .....IN-5-YL}METHYL)PYRIDINIUM
JPP - [nb=1] --> PIPERACILLIN (OPEN FORM)
3F5 - [nb=1] --> .....-8-(METHYLAMINO)ADENOSINE
HYI - [nb=1] --> .....OPYLMERCAPTO]BUTYRIC ACID
FCF - [nb=1] --> .....,7-DIEN-1-YL]BENZOIC ACID
87Y - [nb=1] --> .....-7-[2-PHENYLETHYL]-PTERIN
AYL - [nb=1] --> .....POXY]PHOSPHORYL}ADENOSINE
1EV - [nb=1] --> .....N-2-YL)ETHYL]BENZONITRILE
AC2 - [nb=1] --> .....HYROXYETHOXYMETHYLGUANINE
THL - [nb=1] --> .....)BENZOYL]-L-GLUTAMIC ACID
CJC - [nb=1] --> .....O[2,3-B]PYRAZIN-2(1H)-ONE
6CR - [nb=1] --> .....RANOSYL)-9H-PURIN-2-AMINE
DUR - [nb=1] --> 2'-DEOXYURIDINE
2GZ - [nb=1] --> .....-2-YL)PHOSPHONAMIDIC ACID
B46 - [nb=1] --> .....ZOL-3-YL]METHYL}CARBAMATE
TIO - [nb=1] --> .....PHENYL-PROPIONYL)-GLYCINE
PK2 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
2GN - [nb=1] --> .....PHOLINOSULFONYL)BENZAMIDE
BIO - [nb=1] --> BIOPTERIN
X1P - [nb=1] --> .....HONO-ALPHA-D-XYLOPYRANOSE
FPC - [nb=1] --> .....E-6-PHOSPHATE (OPEN FORM)
C77 - [nb=1] --> .....,3-TRIAZOL-1-YL)ADENOSINE
5N5 - [nb=1] --> .....'-AMINO-5'-DEOXYADENOSINE
UBY - [nb=1] --> .....HORYL]-L-LEUCYL-L-ALANINE
M3S - [nb=1] --> .....OXY)-3-METHYLBENZOIC ACID
B58 - [nb=1] --> .....-D]PYRIDAZINE-4,7-DIAMINE
XUL - [nb=1] --> SUGAR (D-XYLULOSE)
AGE - [nb=1] --> .....YRROL-2-YL]PROP-2-ENAMIDE
2G9 - [nb=1] --> ..... 2-YL)PHOSPHONAMIDIC ACID
VPM - [nb=1] --> .....PAN-2-YL)BUTANEDIOIC ACID
MP1 - [nb=1] --> .....RPHYRIN CONTAINING COPPER
SS7 - [nb=1] --> .....,5-DIMETHYLPHENYL ACETATE
629 - [nb=1] --> .....ERIDIN-2-YL)- ACETIC ACID
2EJ - [nb=1] --> .....OPYL}-3-THIOPHEN-3-YLUREA
3AM - [nb=1] --> .....-YL] DIHYDROGEN PHOSPHATE
NHL - [nb=1] --> .....YLMETHYL)-D-GLUTAMIC ACID
WM2 - [nb=1] --> CYCLOHEXANECARBOXAMIDE
9MG - [nb=1] --> 9-METHYLGUANINE
GPJ - [nb=1] --> GLYPHOSATE
HSA - [nb=1] --> .....IDAZOL-4-YL)-PROPYL]ESTER
BMX - [nb=1] --> .....NO-ALPHA-D-MANNOPYRANOSE)
ETX - [nb=1] --> 2-ETHOXYETHANOL
3JN - [nb=1] --> .....ENE-1,2-DICARBOXYLIC ACID
XTZ - [nb=1] --> .....L-2-YL)BENZENESULFONAMIDE
THH - [nb=1] --> .....)BENZOYL]-L-GLUTAMIC ACID
NDO - [nb=1] --> .....E)-DINUCLEOTIDE PHOSPHATE
BDI - [nb=1] --> .....,5-D]PYRIDAZINE-4,7-DIONE
ABM - [nb=1] --> .....ONIC ACID ADENOSINE ESTER
HRD - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
CAJ - [nb=1] --> .....PROPANOYLAMINO]PENTANOATE
B65 - [nb=1] --> .....ONOBUTANE-1-SULFONIC ACID
RRT - [nb=1] --> (R)-RETRO-THIORPHAN
0VR - [nb=1] --> .....XY-D-RIBULOSE-5-PHOSPHATE
0A9 - [nb=1] --> METHYL L-PHENYLALANINATE
P22 - [nb=1] --> .....YL DIHYDROGEN DIPHOSPHATE
D3Y - [nb=1] --> .....(D-TYROSYLAMINO)ADENOSINE
PRX - [nb=1] --> .....ONOPHOSPHATE-PROPYL ESTER
12T - [nb=1] --> .....ENE-1,4-DICARBOXYLIC ACID
1SF - [nb=1] --> .....RIMIDINE-2,4(1H,3H)-DIONE
WWF - [nb=1] --> .....XY-3-METHYL-BUTYL-THIAMIN
32G - [nb=1] --> .....[3,4-D]IMIDAZOL-2(3H)-ONE
Q88 - [nb=1] --> 9H-PURINE-6,8-DIAMINE
3GQ - [nb=1] --> .....-1,2,3-TRICARBOXYLIC ACID
3SY - [nb=1] --> .....XYMETHYL)PROPANE-1,3-DIOL
18W - [nb=1] --> .....YRROL-3-YL]PROPANOIC ACID
3GS - [nb=1] --> .....6,7-dicarboxylate 2-oxide
7DE - [nb=1] --> .....RBOXYLIC ACID ETHYL ESTER
HTL - [nb=1] --> .....ETYL-THIAMINE DIPHOSPHATE
F6F - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
4F0 - [nb=1] --> .....yl)methyl]pyrrolidin-3-ol
MRC - [nb=1] --> MUPIROCIN
L5Y - [nb=1] --> .....YRIDIN-4-YL]AMINO}ETHANOL
0WY - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
FTD - [nb=1] --> .....L TRIHYDROGEN DIPHOSPHATE
HEC - [nb=1] --> HEME C
OLC - [nb=1] --> .....PYL (9Z)-OCTADEC-9-ENOATE
B54 - [nb=1] --> .....MINO]PROPOXY}BENZOIC ACID
H78 - [nb=1] --> .....ONO-ETHYL]PHOSPHONIC ACID
TH9 - [nb=1] --> .....OXY-4-OXOBUT-2-ENOIC ACID
PAB - [nb=1] --> 4-AMINOBENZOIC ACID
ILO - [nb=1] --> N5-IMINOETHYL-L-ORNITHINE
1S9 - [nb=1] --> .....OLIN-7-YL)OXY]ACETIC ACID
TAC - [nb=1] --> TETRACYCLINE
H2U - [nb=1] --> .....OURIDINE-5'-MONOPHOSPHATE
1FT - [nb=1] --> .....THIO-BETA-D-GLUCOPYRANOSE
4MM - [nb=1] --> .....SULFANYL)PROPAN-1-AMINIUM
33P - [nb=1] --> .....L-PROPYL}-PHOSPHONIC ACID
M1C - [nb=1] --> .....PYLAMINO)HEPTANE-2,2-DIOL
IXM - [nb=1] --> .....LIDENE-3,2'-DIONE-3-OXIME
MYD - [nb=1] --> .....OFURAN-5-YL)-ETHYL] ESTER
1A0 - [nb=1] --> .....N-4-YL]PYRROLIDIN-3-AMINE
CNA - [nb=1] --> .....MIDE-ADENINE-DINUCLEOTIDE
0EX - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
SHO - [nb=1] --> 5-HYDROXYLAEVULINIC ACID
0V3 - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
ILA - [nb=1] --> .....-[ADENOSYL]-DIAMINOSUFONE
SCA - [nb=1] --> SUCCINYL-COENZYME A
ZYL - [nb=1] --> .....YRIDINE-3-CARBOXYLIC ACID
DH7 - [nb=1] --> .....10,11,13,14,18,22-OCTAENE
NBP - [nb=1] --> .....NE DINUCLEOTIDE PHOSPHATE
B85 - [nb=1] --> benzylphosphonic acid
BC4 - [nb=1] --> .....[3,4-D]IMIDAZOL-2(3H)-ONE
3GP - [nb=1] --> .....UANOSINE-3'-MONOPHOSPHATE
THW - [nb=1] --> .....HENYL-THIAMIN DIPHOSPHATE
HCS - [nb=1] --> .....O-4-MERCAPTO-BUTYRIC ACID
PFF - [nb=1] --> 4-FLUORO-L-PHENYLALANINE
14D - [nb=1] --> .....RIMIDINE-2,4(1H,3H)-DIONE
B52 - [nb=1] --> .....DAZIN-3-YL)PROPANOIC ACID
GLO - [nb=1] --> .....D-GLUCOSE IN LINEAR FORM)
UP2 - [nb=1] --> UROPORPHYRINOGEN III
A3N - [nb=1] --> .....-2-YN-1-YLAMINO)ADENOSINE
P9A - [nb=1] --> .....2,4-DIHYDROXYBENZOIC ACID
EOB - [nb=1] --> .....YL)]}BIS(PHOSPHONIC ACID)
DAS - [nb=1] --> D-ASPARTIC ACID
1S8 - [nb=1] --> .....YL)AMINO]PHENYL}BENZAMIDE
N32 - [nb=1] --> .....X-1-ENE-1-CARBOXYLIC ACID
R1P - [nb=1] --> .....UGAR (RIBOSE-1-PHOSPHATE)
MLT - [nb=1] --> D-MALATE
8OX - [nb=1] --> .....OLAN-2-YL]-7H-PURIN-8-ONE
CHD - [nb=1] --> CHOLIC ACID
TLM - [nb=1] --> THIOLACTOMYCIN
920 - [nb=1] --> .....IMIDO[4,5-B]INDOL-8-AMINE
BHC - [nb=1] --> .....NZENE HEXACARBOXYLIC ACID
FC3 - [nb=1] --> .....HYL)PHENYL]-2-FUROIC ACID
DTC - [nb=1] --> .....AN-2-ONE,1,2-BENZOPYRONE]
3D1 - [nb=1] --> .....(HYDROXYMETHYL)FURAN-3-OL
1SG - [nb=1] --> .....YL)PYRIDINE-2-CARBOXAMIDE
LHI - [nb=1] --> .....HORYL] HYDROGEN PHOSPHATE
200 - [nb=1] --> 4-CHLORO-L-PHENYLALANINE
ZPG - [nb=1] --> .....HEXAOXADOCOSANE-2,21-DIOL
IPL - [nb=1] --> .....DOLE-3-PROPANOL PHOSPHATE
3B8 - [nb=1] --> .....-B]PYRIDINE-3-CARBOXAMIDE
OCZ - [nb=1] --> .....-CARBAZOLE-1- CARBOXAMIDE
2W3 - [nb=1] --> .....-PYRIMIDINE-5-CARBOXAMIDE
0N5 - [nb=1] --> .....YL)AMINO]PHENYL}BENZAMIDE
144 - [nb=1] --> .....OXYMETHYL-METHYL-AMMONIUM
1D0 - [nb=1] --> .....ENYL)AMINO]PROPANOIC ACID
MII - [nb=1] --> METHICILLIN
AIQ - [nb=1] --> .....HYL)-3H-QUINAZOLINE-4-ONE
3PL - [nb=1] --> 3-PHENYLPROPANAL
Z5A - [nb=1] --> .....YTHYMIDYL))PENTAPHOSPHATE
DTT - [nb=1] --> .....IHYDROXY-1,4-DITHIOBUTANE
702 - [nb=1] --> .....ONOBUTANE-1-SULFONIC ACID
NIA - [nb=1] --> .....THYL DIHYDROGEN PHOSPHATE
AFQ - [nb=1] --> .....ZO[4,5-G]QUINAZOLIN-8-ONE
YYY - [nb=1] --> DEOXYCYTIDINE DIPHOSPHATE
3GO - [nb=1] --> .....ETHOXYMETHYL]BENZONITRILE
SLP - [nb=1] --> 3-SELANYLPROPANOIC ACID
F24 - [nb=1] --> .....IMETHYLTETRADECANOIC ACID
AMX - [nb=1] --> .....YMETHYLDETHIA COENZYME *A
VAU - [nb=1] --> .....OHEXANE-1-CARBOXYLIC ACID
ECA - [nb=1] --> .....S(2,3-DIHYDROXYBENZAMIDE)
AZF - [nb=1] --> AZAFAGOMINE
GVS - [nb=1] --> .....H)-YL]OXETAN-3-YL}ACETATE
GA2 - [nb=1] --> .....XY-PROPOXYMETHANE)GUANINE
ZYM - [nb=1] --> .....ROPYL]AMINO}BUTANOIC ACID
ISD - [nb=1] --> .....-DIHYDROXYFURAN-2(5H)-ONE
EOZ - [nb=1] --> .....ACETYL)AMINO]BENZOIC ACID
KPS - [nb=1] --> .....DINE 5'-PHOSPHATE, LINEAR
7C1 - [nb=1] --> .....YL)BENZENECARBOXIMIDAMIDE
H5P - [nb=1] --> HYDANTOCIDIN-5'-PHOSPHATE
NAV - [nb=1] --> .....XAMIDO-4-OXONONANOIC ACID
N3A - [nb=1] --> .....PANOYL}AMINO)BENZOIC ACID
1AY - [nb=1] --> .....O)ETHYL)PYRIMIDIN-4-AMINE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
200
SA1267
8
99%
0.555
PF01468
3 -
(0)
?
- / - / -
0
201
SA1630
19
99%
0.584
PF00089
1 -
(0)
?
- / - / -
0
202
SA1073
25
99%
0.613
PF00698
C1_S1
15 -
(11)
8
- / - /
6
2
203
SA0907
2
99%
0.467
PF00005
2 -
(0)
?
- / - / -
0
204
SA2116
17
99%
0.526
-
3 -
(0)
?
- / - / -
0
205
SA1036
20
99%
0.754
PF01588
C2_S1
30 -
(13)
2
- /
2
/ -
1
206
SA1694
20
99%
0.414
PF03061
C1_S1
32 -
(23)
3
- /
1
/
8
1
207
SA1637
21
99%
0.345
PF07968
54 -
(0)
1
- / - / -
0
208
SA2316
13
99%
0.502
PF03449
0 -
(0)
?
- / - / -
0
209
SA0207
21
99%
0.575
PF00104
C1_S1
42 -
(0)
5
- / - /
7
3
210
SA2104
20
99%
0.585
PF00459
C3_S1
34 -
(24)
6
- / - /
8
0
211
SA1938
22
99%
0.589
PF07831
C3_S1
12 -
(3)
5
- / - /
6
3
212
SA1520
21
99%
0.557
PF02887
42 -
(0)
1
- / - / -
0
213
SA1316
4
99%
0.385
PF03119
C2_S1
6 -
(0)
1
- /
1
/ -
1
214
SA0258
24
99%
0.575
PF00294
C1_S1
63 -
(52)
9
- /
5
/
16
4
215
SA1813
20
99%
0.283
PF07968
3 -
(0)
?
- / - / -
0
216
SA1642
20
99%
0.449
PF01123
1 -
(0)
?
- / - / -
0
217
SA1188
59
99%
0.502
PF01751
C2_S1
65 -
(0)
20
8
/
29
/
14
18
218
SA0005
67
99%
0.532
PF01751
C2_S1
65 -
(0)
20
6
/
30
/
18
22
219
SA0654
24
99%
0.497
PF00294
C1_S1
48 -
(35)
7
- /
2
/
6
3
220
SA0983
18
99%
0.457
PF03992
C5_S1
35 -
(0)
4
16
/ - / -
2
221
SA0641
19
99%
0.563
PF01047
26 -
(0)
1
- / - / -
0
222
SA1381
19
99%
0.500
PF00905
C1_S1
21 -
(0)
2
- / - /
2
1
223
SA0033
15
99%
0.712
PF07827
C5_S1
24 -
(14)
2
- / - /
2
1
224
SA0978
13
99%
0.549
PF05031
C3_S1
52 -
(0)
3
1
/ - /
3
1
225
SA2502
7
99%
0.577
PF00825
C2_S1
2 -
(0)
1
- / - /
1
0
226
SA1754
13
99%
0.687
PF11546
1 -
(0)
?
- / - / -
0
227
SA0823
20
99%
0.596
PF00342
C4_S1
11 -
(11)
4
- / - /
4
4
228
SA1722
24
99%
0.655
PF01884
C2_S1
22 -
(4)
6
- /
1
/
8
3
229
SA1182
8
99%
0.244
PF01741
4 -
(0)
?
- / - / -
0
230
SA1228
23
99%
0.663
PF01113
C3_S1
31 -
(15)
5
- /
1
/
2
1
231
SA2060
17
99%
0.539
PF01047
C1_S1
14 -
(0)
2
- / - /
1
1
232
SA0982
20
99%
0.807
-
C2_S1
18 -
(1)
5
- / - /
6
1
233
SA0898
20
99%
0.472
PF00378
0 -
(0)
?
- / - / -
0
234
SA1141
40
99%
0.510
PF00370
C4_S1
59 -
(59)
14
- /
1
/
19
4
235
SA1206
4
99%
0.580
PF02388
5 -
(0)
?
- / - / -
0
236
SA0905
14
99%
0.599
PF01510
C3_S1
25 -
(0)
7
- /
1
/
2
1
237
SA1227
43
99%
0.643
PF00701
C3_S1
67 -
(64)
7
- / - /
5
0
238
SA2447
20
99%
0.593
PF00139
C1_S1
14 -
(0)
2
- / - /
2
1
239
SA0388
27
99%
0.484
PF01123
C6_S1
18 -
(0)
3
- / - /
7
0
240
SA0229
20
99%
0.414
PF00496
C3_S1
52 -
(0)
3
- / - /
5
1
241
SA2456
13
99%
0.688
PF02706
C1_S1
26 -
(24)
2
- /
3
/
1
1
242
SA1539
3
99%
0.594
PF06160
2 -
(0)
?
- / - / -
0
243
SA1391
20
99%
0.552
PF01807
C2_S1
14 -
(0)
8
- /
5
/
4
6
244
SA1726
4
99%
0.477
PF09023
0 -
(0)
?
- / - / -
0
245
SA0011
19
99%
0.489
PF00561
29 -
(19)
?
- / - / -
0
246
SA2378
17
99%
0.290
PF12681
5 -
(0)
?
- / - / -
0
247
SA0798
13
99%
0.730
PF00462
4 -
(0)
?
- / - / -
0
248
SA1422
35
99%
0.644
PF01467
C3_S1
67 -
(37)
17
4
/
11
/
12
4
249
SA1388
15
99%
0.587
PF01784
3 -
(0)
2
- / - / -
0
250
SA1915
69
99%
0.597
PF00464
C1_S1
108 -
(55)
16
- /
2
/
57
4
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