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libRDChEBI
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CHEBI:4471
#10
amalik01
opened
1 month ago
0
CHEBI:139 incorrect molformula (missing `n`) due to unlabelled SGROUP in molfile
#9
eloyfelix
closed
2 months ago
1
CHEBI:53020
#8
amalik01
opened
6 months ago
7
Masses and formulas with isotopes
#7
eloyfelix
closed
8 months ago
0
CHEBI: 87560 Cross Double Bond
#6
theArsalanM
closed
4 months ago
5
Formula mismatch CHEBI:41981
#5
theArsalanM
closed
8 months ago
2
Overlapping structure for CHEBI:66852
#4
theArsalanM
opened
9 months ago
0
show R group labels like ChEBI does (no R#, no superindices)
#3
eloyfelix
closed
9 months ago
0
Gen smiles
#2
eloyfelix
closed
1 year ago
0
RDKit2022.09.03
#1
eloyfelix
closed
1 year ago
0