+ Fetch compounds
Search by compound ID
Search by structure
Search by properties
Import SDFile
Import JSON table
Table control
Select columns to show
Join data columns
Import data columns
Add common substructure map
Rename table
Export to JSON
Export to Excel worksheet
Export to SDFile
Open control panel
Refresh
Abort server job
×
Search by compound ID
Database
Query
×
Search by structure
Format
MDL Molfile
SMILES
Database:ID
Database
Query
Preview structure
Search type
Exact match
Substructure
Superstructure
MCS-DR edge count
Graph-based local similarity(GLS)
RDKit Morgan similarity
RDKit FMCS
Threshold
Similarity
Edge count
Optional parameters
Diameter
Tree size
Skip molecule larger than
Timeout(sec)
Ignore explicit hydrogens
Target databases
×
Search by properties
Target databases
Column
Condition
=
>
<
>=
<=
IN
LIKE
Query
×
Select columns to show
×
Join data columns
Data columns
×
Join data column
Import mapping column (.json, .csv)
Preview
×
Import SDF file
File
Columns
Select all
Options
Recalculate 2D coordinate
Make explicit hydrogens implicit
×
Show common structure map
Measure
Graph-based local similarity(GLS)
RDKit Morgan similarity
RDKit FMCS similarity
Network threshold
Optional parameters
Diameter
Tree size
Skip molecule larger than
Timeout(sec)
Ignore explicit hydrogens
×
