CC(C)NCC(O)CO |$;;;;;;;;O_{ether:1}$|	9	2	4.82
CC(C)NCC(C)O |$;;;;;;C_{ether:2};$|	8	2	4.59
NCC(O)CO |$N_{amine:1};;;;;O_{ether:1}$|	6	2	4.1
N |$N_{amine:1,amine:1}$|	1	4	4
CC(C)(C)N |$;;;;N_{amine:1}$|	5	2	3.81
CC(O)CN |$C_{ether:2};;;;N_{amine:1}$|	5	2	3.81
CC(O)CO |$C_{amine:2};;;;O_{ether:1}$|	5	2	3.81
Cc1cc2cccc(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)c2o1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;$|	28	1	3.79
Cc1cc2cccc(OCC(CN)OC(=O)c3ccccc3)c2o1 |$;;;;;;;;;;;;N_{amine:1};;;;;;;;;;;$|	24	1	3.57
CC(C)(C)NCC(O)CSc1nc(cs1)-c2ccc(s2)C(N)=O |$;;;;;;;;;;;;;;;;;;;;;;$|	23	1	3.51
CC(COc1cccc2cc(C)oc12)OC(=O)c3ccccc3 |$C_{amine:2};;;;;;;;;;;;;;;;;;;;;;$|	23	1	3.51
CC(C)C |$;C_{amine:2};;$|	4	2	3.48
CC(C)N |$;;;N_{amine:1}$|	4	2	3.48
CC(C)O |$C_{ether:2};;C_{amine:2};$|	4	2	3.48
CC(C)(C)NCC(O)CSc1nc(cs1)-c2ccc(C=O)s2 |$;;;;;;;;;;;;;;;;;;;C_{amide:2};;$|	22	1	3.44
CC(C)NCC(O)COc1ccccc1C2CC3CCC2C3 |$;;;;;;;;;;;;;;;;;;;;;$|	22	1	3.44
CC(C)NCC(O)COc1cccc2cc(oc12)C(C)=O |$;;;;;;;;;;;;;;;;;;;;$|	21	1	3.38
Cc1cc2cccc(OCC(O)CNC(C)(C)C)c2o1 |$;;;;;;;;;;;O_{ester:2};;;;;;;;$|	20	1	3.31
NCC(O)COc1ccccc1C2CC3CCC2C3 |$N_{amine:1};;;;;;;;;;;;;;;;;;$|	19	1	3.25
NCC(O)CSc1nc(cs1)-c2ccc(s2)C(N)=O |$N_{amine:1};;;;;;;;;;;;;;;;;;$|	19	1	3.25
CC(=O)c1cc2cccc(OCC(O)CN)c2o1 |$;;;;;;;;;;;;;;;N_{amine:1};;$|	18	1	3.18
CC(C)(C)NCC(CO)OC(=O)c1ccccc1 |$;;;;;;;;O_{ether:1};;;;;;;;;$|	18	1	3.18
CC(O)COc1ccccc1C2CC3CCC2C3 |$C_{amine:2};;;;;;;;;;;;;;;;;$|	18	1	3.18
CC(O)CSc1nc(cs1)-c2ccc(s2)C(N)=O |$C_{amine:2};;;;;;;;;;;;;;;;;$|	18	1	3.18
NCC(O)CSc1nc(cs1)-c2ccc(C=O)s2 |$N_{amine:1};;;;;;;;;;;;;;;C_{amide:2};;$|	18	1	3.18
CC(CNC(C)(C)C)OC(=O)c1ccccc1 |$C_{ether:2};;;;;;;;;;;;;;;;$|	17	1	3.11
CC(O)COc1cccc2cc(oc12)C(C)=O |$C_{amine:2};;;;;;;;;;;;;;;;$|	17	1	3.11
CC(O)CSc1nc(cs1)-c2ccc(C=O)s2 |$C_{amine:2};;;;;;;;;;;;;;C_{amide:2};;$|	17	1	3.11
CCC |$;C_{amine:2};$|	3	2	3.1
Cc1cc2cccc(OCC(O)CN)c2o1 |$;;;;;;;;;;;O_{ester:2};;N_{amine:1};;$|	16	1	3.03
O |$O_{ether:1,ether:1}$|	1	3	3
CC(C)(C)NCC(O)CSc1nccs1 |$;;;;;;;;;;;;C_{aromc-aromc:1};;$|	15	1	2.95
CC(O)COc1cccc2cc(C)oc12 |$C_{amine:2};;O_{ester:2};;;;;;;;;;;;$|	15	1	2.95
NCC(CO)OC(=O)c1ccccc1 |$N_{amine:1};;;;O_{ether:1};;;;;;;;;$|	14	1	2.87
Oc1ccccc1C2CC3CCC2C3 |$O_{ether:1};;;;;;;;;;;;;$|	14	1	2.87
C1CC2CC1CC2c3ccccc3 |$;;;;;;;;C_{ether:2};;;;$|	13	1	2.79
CC(=O)c1cc2cccc(O)c2o1 |$;;;;;;;;;;O_{ether:1};;$|	13	1	2.79
CC(CN)OC(=O)c1ccccc1 |$C_{ether:2};;;N_{amine:1};;;;;;;;;$|	13	1	2.79
CC(CO)OC(=O)c1ccccc1 |$C_{amine:2};;;O_{ether:1};;;;;;;;;$|	13	1	2.79
CC(=O)c1cc2ccccc2o1 |$;;;;;;;;;C_{ether:2};;$|	12	1	2.7
CC(C)OC(=O)c1ccccc1 |$C_{ether:2};;C_{amine:2};;;;;;;;;$|	12	1	2.7
Cc1cc2cccc(O)c2o1 |$;;;;;;;;O_{ether:1};;$|	11	1	2.61
NCC(O)CSc1nccs1 |$N_{amine:1};;;;;;;;C_{aromc-aromc:1};;$|	11	1	2.61
CC(C)(C)NCC(O)CO |$;;;;;;;O_{ester:2};;O_{ether:1}$|	10	1	2.51
CC(O)CSc1nccs1 |$C_{amine:2};;;;;;;C_{aromc-aromc:1};;$|	10	1	2.51
Cc1cc2ccccc2o1 |$;;;;;;;C_{ether:2};;$|	10	1	2.51
CC(O)CNC(C)(C)C |$C_{ether:2};;O_{ester:2};;;;;;$|	9	1	2.41
NC(=O)c1cccs1 |$;;;;;;C_{aromc-aromc:1};$|	8	1	2.3
O=Cc1ccccc1 |$;C_{ester:1};;;;;;$|	8	1	2.3
O=Cc1cccs1 |$;C_{amide:2};;;;C_{aromc-aromc:1};$|	7	1	2.18
NCC(O)CO |$N_{amine:1};;;O_{ester:2};;O_{ether:1}$|	6	1	2.05
CC(O)CN |$C_{ether:2};;O_{ester:2};;N_{amine:1}$|	5	1	1.9
CC(O)CO |$C_{amine:2};;O_{ester:2};;O_{ether:1}$|	5	1	1.9
CC(C)O |$C_{ether:2};;C_{amine:2};O_{ester:2}$|	4	1	1.74
N |$N_{amide:3}$|	1	1	1