0  B9R1.22  CC1=CC(C=O)=C(C)N1 BB17-1648 [0,0,0,0,0,0|2,0,1]=3
1  B9R1.22  CC1=NC(C)=C(CN)S1 BB12-3139 [0,0,0,0,0,0|1,0,1]=2
2  B8R1.1  CC1=NN=C(CN)S1 BB12-3134 [1,0,0,0,0,0|2,0,1]=4
3  B8R1.1  CN1C=C(C=O)C=N1 BB12-1724 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.1  COC1=NN=C(C)S1 BB12-3036 [1,0,0,0,0,0|2,0,1]=4
5  B8R1.11  CC1=C(C=O)NC=N1 BB12-3119 [1,0,0,0,0,0|2,0,0]=3
6  B8R1.11  CC1=C(CCl)NC=N1 BB12-3020 [1,0,0,0,0,0|2,0,1]=4
7  B8R1.11  CC1=C(CCl)SC=N1 BB12-3521 [1,0,0,0,0,0|1,0,1]=3
8  B8R1.11  CC1=C(CN)NC=N1 BB12-3035 [1,0,0,0,0,0|2,0,1]=4
9  B8R1.11  CC1=C(CN)SC=C1 BB12-1657 [1,0,0,0,0,0|2,0,1]=4
10  B8R1.11  CN1N=CC=C1C=O BB55-3814 [1,0,0,0,0,0|3,0,0]=4
11  B8R1.18  CC1=C(Br)SC(N)=N1 BB12-1711 [1,0,0,0,0,0|2,0,0]=3
12  B8R1.18  CC1=C(C)NC(Cl)=N1 BB52-6880 [1,0,0,0,0,0|2,0,1]=4
13  B8R1.18  CC1=C(C)SC(Br)=N1 BB12-3700 [1,0,0,0,0,0|1,0,1]=3
14  B8R1.18  CC1=NN(C)C=C1N BB55-3821 [1,0,0,0,0,0|3,0,0]=4
15  B10R1.32  CCC1=C(CN)SC(C)=N1 BB12-3374 [0,1,0,0,0,0|1,0,1]=3
16  B10R1.35  CCN1C=C(C=O)C(C)=N1 BB55-3813 [0,1,0,0,0,0|3,0,0]=4
17  B10R1.59  CC(=O)C1=C(C)SC(C)=N1 BB12-3985 [0,1,0,0,0,0|2,0,1]=4
18  B10R1.256  CC1=NN(C)C(C)=C1C=O BB12-1500 [0,1,0,0,0,0|3,0,0]=4
19  B10R1.8  CC1=NC(C)=NC(NN)=C1 BB53-1600 [0,0,0,0,0,1|3,0,0]=4
20  B7R1.2  CC1=NN=C(Cl)S1 BB12-3129 [2,0,0,0,0,0|2,0,0]=4
21  B7R1.2  CC1=NN=C(O)S1 BB12-3088 [2,0,0,0,0,0|2,0,0]=4
22  B7R1.2  CC1=NNC(C)=N1 BB12-3420 [2,0,0,0,0,0|2,0,0]=4
23  B7R1.2  NC1=NC=C(Br)S1 BB20-3405 [2,0,0,0,0,0|2,0,0]=4
24  B7R1.4  CC1=C(Br)SC=C1 BB56-2325 [2,0,0,0,0,0|2,0,0]=4
25  B9R1.33  CC1=C(\C=N\O)SC=N1 BB20-3315 [1,1,0,0,0,0|1,0,0]=3
26  B9R1.41  CC1=C(C(=O)O)SC=N1 BB12-3519 [1,1,0,0,0,0|1,0,0]=3
27  B11R1.49  CCC1=C(C(=O)O)SC(C)=N1 BB12-3625 [0,2,0,0,0,0|1,0,0]=3
28  B11R1.48  CC1=C(CN)SC(C(C)C)=N1 BB12-3141 [0,2,0,0,0,0|1,0,1]=4
29  B11R1.187  COCC1=NC(C)=C(CN)S1 BB12-3140 [0,2,0,0,0,0|1,0,1]=4
30  B9R1.34  CC1=CC(C)=NC(S)=N1 BB12-2677 [0,0,1,1,0,0|1,0,1]=4
31  B9R1.34  CC1=NC(C)=NC(O)=C1 BB12-0059 [0,0,1,1,0,0|2,0,0]=4
32  B11R2.10  CC1=NC2=CC=CC=C2O1 BB12-1505 [0,1,0,1,0,0|0,1,1]=4
33  B11R2.10  CC1=NC2=CC=CN=C2N1 BB12-2830 [0,1,0,1,0,0|1,0,1]=4
34  B11R2.10  NC1=NC2=C(N=CC=C2)S1 BB56-2479 [0,1,0,1,0,0|1,0,1]=4