example subunits.json

{
	"ADDA": {
		"CID": 123,
		"smiles": "N[C@@H](C=CC(C)=C[C@H](C)[C@@H](OC)Cc1ccccc1)[C@H](C)C(=O)",
		"weight": 331.46,
		"charge": 1,
		"h-donors": 4,
		"h-acceptors":4,
		"log-p": 2
	},
	"D-ALA": {
		"CID": 1234,
		"smiles": "N[C@H](C)C(=O)",
		"weight": 89.09,
		"charge": -1,
	},
	"D-ARG": {
		"CID": 2345,
		"smiles": "N[C@H](CCCN=C(N)N)C(=O)",
		"weight": 89.09,
		"charge": 0
	},
	"L-ARG": {
		"CID": 23456,
		"smiles": "NNNC(=O)",
		"weight": 89.09,
		"charge": 1,
	}
}