Rejected substrates.

Substrate	PubChem/PDB	ID	Type	Energy (ΔG)	Distance (Å)	Molecule
Citric acid	PubChem	311	Small molecule	REJECTED		B
EDTA	PubChem	6049	Small molecule	REJECTED		B
Deferrioxamine E	PubChem	161532	Siderophore	REJECTED		B
Colimycin M	PubChem	216258	Sideromycin	REJECTED		A
Colimycin M	PubChem	216258	Sideromycin	REJECTED		B
Micacocidin A	PubChem	492645	Siderophore	REJECTED		B
Schizokinen	PubChem	3082425	Siderophore	REJECTED		B
Coelichelin	PubChem	3247071	Siderophore	REJECTED		B
Pyoverdin	PubChem	5289234	Siderophore	REJECTED		A
Danoxamine	PubChem	11181103	Siderophore	REJECTED		A
Danoxamine	PubChem	11181103	Siderophore	REJECTED		B
Pyochelin isomer	PubChem	23637949	Siderophore	REJECTED		A
Desferrithiocin	PubChem	23694970	Siderophore	REJECTED		A
Desferrithiocin	PubChem	23694970	Siderophore	REJECTED		B
Desferoxamine B	PubChem	24883429	Siderophore	REJECTED		A
Desferoxamine B	PubChem	24883429	Siderophore	REJECTED		B
PDTC	PubChem	25201575	Siderophore	REJECTED		A
PDTC	PubChem	25201575	Siderophore	REJECTED		B
Pyochelin isomer	PubChem	46173425	Siderophore	REJECTED		A
Staphyloferrin B	PubChem	46926215	Siderophore	REJECTED		A
Vibriobactin	PubChem	50909840	Siderophore	REJECTED		A
Vibriobactin	PubChem	50909840	Siderophore	REJECTED		B
Pyochelin isomer	PubChem	54579907	Siderophore	REJECTED		A
EDTA	PubChem	56840845	Small molecule	REJECTED		A
EDTA	PubChem	56840845	Small molecule	REJECTED		B
Vibriobactin A	PubChem	72836891	Siderophore	REJECTED		A
Aminochelin	PubChem	85550078	Siderophore	REJECTED		A
Aminochelin	PubChem	85550078	Siderophore	REJECTED		B
Coprogen	PubChem	90659013	Siderophore	REJECTED		A
Coprogen	PubChem	90659013	Siderophore	REJECTED		B
Microcin B17	PubChem	101097383	Sideromycin	REJECTED		A
Microcin B17	PubChem	101097383	Sideromycin	REJECTED		B
Desferrithiocin	PubChem	101609363	Siderophore	REJECTED		A
Desferrithiocin	PubChem	101609363	Siderophore	REJECTED		B
Benzamide derivative	PubChem	101679548	Small molecule	REJECTED		A
Benzamide derivative	PubChem	101679548	Small molecule	REJECTED		B
Mycobactin S	PubChem	101705627	Siderophore	REJECTED		A
Mycobactin S	PubChem	101705627	Siderophore	REJECTED		B
Salmochelin S4	PubChem	101763507	Siderophore	REJECTED		B
Salmochelin S2	PubChem	101862321	Siderophore	REJECTED		A
Salmochelin S2	PubChem	101862321	Siderophore	REJECTED		A
Microcin C7	PubChem	101929386	Sideromycin	REJECTED		A
Microcin C7	PubChem	101929386	Sideromycin	REJECTED		B
Micacocidin	PubChem	101948282	Siderophore	REJECTED		A
Pyoverdin C	PubChem	102122857	Siderophore	REJECTED		A
Pyoverdin D	PubChem	102122858	Siderophore	REJECTED		A
Pyoverdin D	PubChem	102122858	Siderophore	REJECTED		B
Coprogen derivative	PubChem	102315087	Siderophore	REJECTED		A
Anguibactin	PubChem	121231152	Siderophore	REJECTED		B
Ferrioxamine E	PDB	6L0	Siderophore	REJECTED		A
Ferrioxamine E	PDB	6L0	Siderophore	REJECTED		B
Octaethylene glycol monomethyl ether	PDB	7PG	Small molecule	REJECTED		B
Bis-tris propane	PDB	B3P	Small molecule	REJECTED		B
Enterobactin component	PDB	DBH	Siderophore component	REJECTED		A
Enterobactin component	PDB	DBH	Siderophore component	REJECTED		B
RPR209685	PDB	RRR	Small molecule	REJECTED		B