MTK++ Latest version: 0.2.0

2 Point Linker Fragments

Carbon Only Groups

# Structure Name 3L Code 8L Code Charge
1 Ethyl LYH 2PL00LYH 0
2 trans-alkene AK2 2PL00AK2 0
3 Cis-alkene CIS 2PL00CIS 0
4 Geminal-Alkene AK3 2PL00AK3 0
5 Alkyne AKY 2PL00AKY 0

Nitrogen Containing Groups

# Structure Name 3L Code 8L Code Charge
1 Sec-mine SAM 2PL00SAM 0
2 Sec-aldimine SAD 2PL00SAD 0
3 Prim-ketimine PKT 2PL00PKT 0
4 Azo AZO 2PL00AZO 0
5 Carbo-diimide DII 2PL00DII 0
6 Imidoyl fluoride IMF 2PL00IMF 0
7 Imidoyl chloride IMC 2PL00IMC 0
8 Imidoyl bromide IMB 2PL00IMB 0
9 Imidoyl iodide IMI 2PL00IMI 0

Oxygen Containing Groups

# Structue Name 3L Code 8L Code Charge
1 Ketone KET 2PL00KET 0
2 Ethoxy ETO 2PL00ETO 0
3 Ketene KTE 2PL00KTE 0
4 Sec-alcohol SAL 2PL00SAL 0
5 Enediol END 2PL00END 0
6 Ether ETR 2PL00ETR 0
7 Peroxide PXD 2PL00PXD 0
8 Carboxylic Acid Ester CAE 2PL00CAE 0
9 Anhydride ANH 2PL00ANH 0

Sulfur Containing Groups

# Structure Name 3L Code 8L Code Charge
1 Thioether STR 2PL00STR 0
2 Disulfide DIS 2PL00DIS 0
3 Thioketone TKT 2PL00TKT 0

Multi Hetero Atom Groups

# Structure Name 3L Code 8L Code Charge
1 Secondary Amide AMI 2PL00AMI 0
2 Oxime OXM 2PL00OXM 0
3 Alpha Amino Acid AAA 2PL00AAA 0
4 Carbamic acid CBA 2PL00CBA 0
5 Carbamic acid fluoride CBF 2PL00CBF 0
6 Carbamic acid chloride CBC 2PL00CBC 0
7 Carbamic acid bromide CBB 2PL00CBB 0
8 Carbamic acid iodide CBI 2PL00CBI 0
9 Sulfone SO2 2PL00SO2 0
10 Sulfoxide SLF 2PL00SLF 0
11 Sulfinic Acid Ester SLE 2PL00SLE 0
12 Sulfuric Acid Ester SFE 2PL00SFE 0
13 Thiocarboxylic Acid Ester TCE 2PL00TCE 0
14 dithiocarboxylic Acid Ester DCE 2PL00DCE 0
15 Thiocarbamic Acid Fluoride TBF 2PL00TBF 0
16 Thiocarbamic Acid Chloride TBC 2PL00TBC 0
17 Thiocarbamic Acid Bromide TBB 2PL00TBB 0
18 Thiocarbamic Acid Iodide TBI 2PL00TBI 0
19 Thiocarbamic Acid TBA 2PL00TBA 0
20 Sulfuric Acid Amide SAA 2PL00SAA 0
21 Sulfonic Acid Ester SAE 2PL00SAE 0
22 Sulfenic Acid Ester SEE 2PL00SEE 0
23 Phosphonic Acid Ester PP4 2PL00PP4 -1

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