0  B10R1.64  CC(SC1=C(C)OC=C1)=O M10284512P [0,0,0,0,0,0|0,0,0]=0
1  B10R1.64  O=C(O)CC1=C(C)N=CS1 M10069998P [0,0,0,0,0,0|4,0,0]=4
2  B9R1.13  CC(NC1=CSC=C1)=O M10249324P [1,0,0,0,0,0|1,1,0]=3
3  B9R1.33  CSSC1=C(C)OC=C1 M10413228P [1,0,0,0,0,0|1,0,0]=2
4  B11R1.228  O=C(OC)CC1=CC=CN1C M10262164P [0,1,0,0,0,0|3,0,0]=4
5  B9R0.2  C\C=C\C=C\COC(C)=O M10032064P [0,0,1,0,0,0|1,1,1]=4
6  B9R1.41  CC(C1=C(Br)C=CS1)=O M10249884P [0,0,0,0,1,0|3,0,0]=4
7  B9R1.41  O=C(C1=C(Br)SC=C1)O M10184016P [0,0,0,0,1,0|2,1,0]=4
8  B9R1.41  O=C(C1=C(C)NC=C1)O M10232587P [0,0,0,0,1,0|2,0,0]=3
9  B9R1.41  O=C(C1=C(C)OC=N1)O M10652463P [0,0,0,0,1,0|2,0,0]=3
10  B9R1.41  O=C(C1=C(C)SC=N1)O M10710316P [0,0,0,0,1,0|2,1,0]=4
11  B9R1.41  O=C(C1=CON=C1C)O M10147590P [0,0,0,0,1,0|3,0,0]=4
12  B9R1.41  O=C(C1=CSN=C1C)O M10139322P [0,0,0,0,1,0|3,0,0]=4
13  B9R1.41  O=C1OC=CN1C(C)=O M10316975P [0,0,0,0,1,0|2,0,0]=3
14  B11R1.86  CC(CC1=CC=CC=C1Br)=O M10172330P [0,0,0,0,0,1|3,0,0]=4
15  B11R1.86  CC(CC1=CC=CC=C1C)=O M10257313P [0,0,0,0,0,1|2,0,0]=3
16  B11R1.86  CC(CC1=CC=CC=C1Cl)=O M10088231P [0,0,0,0,0,1|3,0,0]=4
17  B11R1.86  CC(CC1=CC=CC=C1F)=O M10048160P [0,0,0,0,0,1|3,0,0]=4
18  B11R1.86  CC(CC1=CC=CC=C1O)=O M12278736P [0,0,0,0,0,1|3,0,0]=4
19  B11R1.157  CC(CC1=CC=CC(C)=C1)=O M10157550P [0,0,0,0,0,1|2,0,0]=3
20  B11R1.157  CC(CC1=CC=CC(Cl)=C1)=O M10128920P [0,0,0,0,0,1|3,0,0]=4
21  B11R1.157  CC(CC1=CC=CC(F)=C1)=O M10035565P [0,0,0,0,0,1|3,0,0]=4
22  B11R1.157  CC(NC1=CC=CC(Br)=C1)=O M10016516P [0,0,0,0,0,1|3,0,0]=4
23  B11R1.157  CC(NC1=NC=CC(C)=C1)=O M10070979P [0,0,0,0,0,1|3,0,0]=4
24  B11R1.157  O=C(O)CC1=CC=CC(C)=C1 M10016514P [0,0,0,0,0,1|3,0,0]=4
25  B11R1.157  O=C(O)CC1=NC(C)=CC=C1 M10612315P [0,0,0,0,0,1|3,0,0]=4
26  B8R0.23  C=C(NC(C)=O)C(O)=O M10074141P [1,0,1,0,0,0|2,0,0]=4
27  B8R1.11  O=CC1=C(Br)SC=C1 M10037253P [2,0,0,0,0,0|1,1,0]=4
28  B8R1.11  O=CC1=C(C)NC=N1 M10429899P [2,0,0,0,0,0|2,0,0]=4
29  B8R1.11  O=CC1=C(C)SC=C1 M10499253P [2,0,0,0,0,0|0,1,0]=3
30  B8R1.11  O=CC1=C(Cl)SC=C1 M10130517P [2,0,0,0,0,0|1,1,0]=4
31  B10R1.59  CC(C1=C(C)SC(C)=C1)=O M10045050P [0,1,0,0,1,0|0,1,0]=3
32  B10R1.59  CC(C1=C(C)SC(N)=N1)=O M10242484P [0,1,0,0,1,0|1,1,0]=4
33  B10R1.59  O=C(C1=C(C)NC(C)=C1)O M10294420P [0,1,0,0,1,0|2,0,0]=4
34  B10R1.59  O=C(C1=C(C)OC(C)=N1)O M10177876P [0,1,0,0,1,0|2,0,0]=4
35  B10R1.59  O=C(C1=C(C)SC(C)=C1)O M10193812P [0,1,0,0,1,0|1,1,0]=4
36  B10R1.192  CC1=CNC(C)=C1C(C)=O M10043201P [0,1,0,0,1,0|1,0,0]=3
37  B10R1.192  O=C(C1=C(C)NC=C1C)O M10147294P [0,1,0,0,1,0|2,0,0]=4
38  B12R1.75  CC(CC1=CC=CC=C1OC)=O M10069694P [0,1,0,0,0,1|2,0,0]=4
39  B12R1.75  CC(NC1=CC=CC=C1OC)=O M11208233P [0,1,0,0,0,1|2,0,0]=4
40  B12R1.50  O=C(OC1=CC=CC(C)=C1)NC M10027599P [0,1,0,0,0,1|1,1,0]=4
41  B12R1.854  CC(OC1=C(C)OC(C)C1=O)=O M10060628P [0,2,0,0,0,0|0,1,1]=4
42  B8R1.7  CC(C1=CNC=N1)=O M10353238P [1,0,0,0,1,0|2,0,0]=4
43  B8R1.7  O=C(C1=NOC=C1)O M10052260P [1,0,0,0,1,0|2,0,0]=4
44  B8R1.7  O=C(Cl)C1=CSC=C1 M10246124P [1,0,0,0,1,0|1,1,0]=4