| 1 | 1,3‐Oxazin‐6‐one |
O=[#6]1:[#8]:[#6]:[#7]:[#6]:[#6]1 |
 |
2 |
2 |
1
|
2
|
2 |
| 2 | Acyloxymethyl Carbonyl |
[*][CX3](=[O])[C][O][CX3](=[O])[*] |
 |
10 |
9 |
1
|
1
|
14 |
| 3 | Acyl Phosphonate |
[#6][CX3](=O)[P]([O])([O])=O |
 |
1 |
1 |
1
|
1
|
1 |
| 4 | Alcohol |
[CX4,c]-[OX2H1,OX1-] |
 |
1 |
1 |
1
|
1
|
1 |
| 5 | Aldehyde |
[#6][CX3H1](=[O]) |
 |
99 |
59 |
5
|
7
|
134 |
| 6 | Alkyl Halide |
[CX4]-[F,Br,Cl,I] |
 |
31 |
29 |
3
|
7
|
44 |
| 7 | Alkyne |
[#6][C]#[C][#6] |
 |
4 |
5 |
2
|
3
|
5 |
| 8 | Allyl Vinyl Ether |
[c][c][O][#6][C]=[C] |
 |
2 |
2 |
2
|
2
|
2 |
| 9 | Alpha-Cyanovinyl Carbonyl |
[C]=[C]([C]#[N])-[C](=[O])[*] |
 |
12 |
8 |
1
|
2
|
12 |
| 10 | Alpha-Hydroxy Sulfonic Acid |
[#6]([OH1])[S](=[O])(=[O])[O] |
 |
12 |
8 |
1
|
1
|
27 |
| 11 | Amidine |
[*]-[N]-[C](=[N])-[CX4] |
 |
2 |
1 |
1
|
1
|
2 |
| 12 | Arsenic Acid |
[#6][As](=[O])([O])[O] |
 |
1 |
2 |
1
|
1
|
2 |
| 13 | Arsine Oxide |
[#6][As]=[O] |
 |
1 |
2 |
1
|
1
|
3 |
| 14 | Aryl Halide |
[c][F,Br,Cl,I] |
 |
19 |
18 |
1
|
3
|
31 |
| 15 | Aryloxymethyl Carbonyl |
[*][CX3](=[O])[#6]-[O][#6] |
 |
2 |
2 |
1
|
1
|
2 |
| 16 | Aryl Sulfone |
[#6][S](=[O])(=[O])[#6] |
 |
4 |
3 |
1
|
2
|
4 |
| 17 | Aziridine |
[C;r3][N;r3][C;r3] |
 |
15 |
14 |
1
|
3
|
18 |
| 18 | Beta-Lactam |
[O-0X1]=[C]1[C][C][N]1 |
 |
102 |
79 |
4
|
3
|
284 |
| 19 | Beta-Lactone |
[O-0X1]=[C]1[C][C][O]1 |
 |
5 |
8 |
1
|
4
|
11 |
| 20 | Beta-Sulfanylvinyl Carbonyl |
[#6][S][C]=[C]-[CX3](=[O])[*] |
 |
1 |
1 |
1
|
1
|
1 |
| 21 | Beta-Sulfonylvinyl Carbonyl |
[#6][S](=O)(=O)[C]=[C]-[CX3](=[O])[*] |
 |
1 |
1 |
1
|
1
|
1 |
| 22 | Beta-Sulfonylvinyl Nitrile |
[#6][S](=O)(=O)[C]=[C]-[C]#[N] |
 |
1 |
1 |
1
|
1
|
1 |
| 23 | Butadienyl Carbonyl |
[C]=[C][C]=[C]-[CX3](=[O])[*] |
 |
6 |
2 |
1
|
2
|
7 |
| 24 | Carbamate |
[#6]-[N]-[CX3](=O)-[O]-[#6] |
 |
8 |
6 |
1
|
2
|
9 |
| 25 | Carbamide |
[#6][N,n][CX3](=O)[N,n][#6] |
 |
3 |
3 |
2
|
2
|
3 |
| 26 | Carboxylic Acid |
[#6]-[CX3](=O)-[OX2H1,OX1-] |
 |
21 |
19 |
3
|
4
|
25 |
| 27 | Catechol |
[O][c]1[c][c][c][c][c]1[O] |
 |
2 |
2 |
1
|
1
|
2 |
| 28 | Cyanamide |
[#6][NX3][C]#[N] |
 |
6 |
5 |
1
|
2
|
6 |
| 29 | Diazomethyl Carbonyl |
[*][CX3](=[O])[C]=[N+]=[N-] |
 |
6 |
15 |
4
|
4
|
18 |
| 30 | Disulfanyl-Ester |
[#6][SX2][SX2]-[CX3](=O)-[O][#6] |
 |
2 |
1 |
2
|
1
|
3 |
| 31 | Disulfide |
[#6][S][S][#6] |
 |
26 |
15 |
1
|
1
|
30 |
| 32 | Enamine |
[#6][C]=[C][#7] |
 |
1 |
1 |
1
|
1
|
1 |
| 33 | Epoxide |
[C;r3][O;r3][C;r3] |
 |
77 |
56 |
3
|
7
|
125 |
| 34 | Ester |
[#6][CX3](=[O])-[O]-[#6] |
 |
12 |
13 |
2
|
3
|
16 |
| 35 | Gamma-Lactone |
O=[#6]-1-[#6]-[#6]-[#6]-[#8]-1 |
 |
12 |
5 |
1
|
2
|
12 |
| 36 | Haloisocyanide |
[#6][N+]#[C][F,Cl,I,Br] |
 |
1 |
1 |
1
|
1
|
1 |
| 37 | Halomethyl Amidine |
[*]-[N]-[C](=[N])-[CX4]-[F,Cl,Br,I] |
 |
4 |
3 |
1
|
1
|
4 |
| 38 | Halomethyl Carbonyl |
[*][CX3](=[O])[CX4]-[F,Cl,Br,I] |
 |
112 |
57 |
5
|
7
|
145 |
| 39 | Hemiacetal |
[OX2H][CX4][OX2][#6] |
 |
30 |
57 |
3
|
8
|
79 |
| 40 | Hydrazide |
[*][CX3](=[O])[#7]~[#7] |
 |
9 |
5 |
3
|
2
|
9 |
| 41 | Imidoyl Halide |
[F,Cl,Br,I][#6]=[N] |
 |
2 |
5 |
1
|
2
|
5 |
| 42 | Isoselenazolinone |
[O]=[#6]1[#6][#6][Se][#7]1 |
 |
4 |
3 |
1
|
1
|
6 |
| 43 | Isothiazolinone |
[O]=[#6]1[#6][#6][#16][#7]1 |
 |
5 |
5 |
1
|
1
|
5 |
| 44 | Isothiocyanate |
[#6][N]=[C]=[S] |
 |
6 |
2 |
1
|
2
|
6 |
| 45 | Ketone |
[#6][CX3](=[O])[#6] |
 |
150 |
88 |
4
|
6
|
223 |
| 46 | Mannich Base |
[OH1][c][c][#6][N,n][#6] |
 |
3 |
2 |
1
|
2
|
3 |
| 47 | Nitrile |
[C,c]-[C,c]#[N,n] |
 |
85 |
20 |
3
|
3
|
93 |
| 48 | Nitroarene |
[c][N+](=[O])[O-] |
 |
6 |
2 |
1
|
1
|
7 |
| 49 | Phosphate |
[*][O][P]([O])([O])=O |
 |
8 |
29 |
1
|
4
|
32 |
| 50 | Propargyl Carbonyl |
[C]#[C]-[C](=[O])[*] |
 |
3 |
2 |
1
|
2
|
3 |