Filename	Name	Formula	SMILES
acid_chlorides.smi	propanoyl chloride	C3ClH5O	CCC(Cl)=O
amines.smi	propylamine	C4H11N	CCCNC
input.smi		C3H8	CCC
output.smi	methylamine+propanoyl chloride	C4H9NO	CCC(=O)NC
output.smi	ethylamine+propanoyl chloride	C5H11NO	CCNC(=O)CC
output.smi	propylamine+acetyl chloride	C6H13NO	CCCN(C)C(C)=O
output.smi	propylamine+propanoyl chloride	C7H15NO	CCCN(C)C(=O)CC
output.smi	propylamine+benzoyl chloride	C11H15NO	CCCN(C)C(=O)c1ccccc1
output.smi	aniline+propanoyl chloride	C9H11NO	CCC(=O)Nc1ccccc1
example.pdb		C17H32N4O5	CC(C)CC(N)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(O)=O
ala.mol	L-Alanine	C3H7NO2	CC(N)C(O)=O
lava.mol	LAVA	C17H32N4O5	CC(C)CC(N)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(O)=O
leu.mol	L-Leucine	C6H13NO2	CC(C)CC(N)C(O)=O
val.mol	L-Valine	C5H11NO2	CC(C)C(N)C(O)=O