COMPOUND_CTAB.sdf

The COMPOUND_CTAB file (a Chemical Table file) defines the structure of a compound. It is not possible to load data without a CTAB file. The CIDX fields in the CTAB must match the CIDX IDs in the ACTIVITY.tsv file.

This must be in V2000 molfile format. The InChI binaries we use currently do not accept V3000 molfiles. We cannot accept V3000 InChIs as we need an InChI Key for ChEMBL.

Header	Description	Existence	Data type
CIDX	The CIDX established by the depositor in the COMPOUNDS file - a foreign key	Mandatory	Any character up to a length of 200
CTAB	The CTAB (Connection table) assigned to this CIDX	Optional	A very large text field