0  B6R0.2  CC(C)CC(N)=O F1995-0350 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.2  CC(N)CN(C)C F8882-5478 [0,0,0,0,0,0|1,0,1]=2
2  B6R0.2  CN(C)CN(C)C F0001-1334 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.2  O=C(Cl)CC(=O)Cl F0001-0606 [0,0,0,0,0,0|4,0,0]=4
4  B5R0.1  CC(C)CC#N F0001-1677 [1,0,0,0,0,0|1,0,2]=4
5  B5R0.1  COCC(C)N F2190-0371 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.1  COCC(N)=S F8881-7845 [1,0,0,0,0,0|1,1,0]=3
7  B7R0.2  CC(C)C[C@H](N)CO F1564-0029 [0,1,0,0,0,0|1,0,2]=4
8  B7R0.2  CC(C)NC(=O)CBr F3310-0886 [0,1,0,0,0,0|3,0,0]=4
9  B7R0.2  CCC(=O)CC(C)=O F8880-5203 [0,1,0,0,0,0|3,0,0]=4
10  B7R0.2  CNC(=O)CC(C)=O F0001-0716 [0,1,0,0,0,0|2,0,0]=3
11  B7R0.2  COC(=O)CC(C)=O F0001-0105 [0,1,0,0,0,0|3,0,0]=4
12  B7R0.9  CC(=O)CC(C)(C)O F0001-0366 [0,1,0,0,0,0|2,0,0]=3
13  B7R1.2  CN1C=C(N)C=N1 F2169-0265 [0,0,0,1,0,0|2,0,1]=4
14  B7R1.2  O=C1CCC(=O)C1 F0001-1098 [0,0,0,1,0,0|3,0,0]=4
15  B7R1.2  O=C1CNC(=O)C1 F2147-2476 [0,0,0,1,0,0|2,0,0]=3
16  B5R0.5  CC(F)C(=O)O F2147-5479 [0,0,0,0,1,0|3,0,0]=4
17  B7R0.6  CC(C)SCC(=O)O F3249-0157 [0,0,0,0,0,1|2,0,0]=3
18  B4R0.1  N=C(N)NN F0001-2343 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.2  CSCCN F2191-0292 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.1  CCCC(=O)NN F3191-0132 [1,1,0,0,0,0|1,0,0]=3
21  B6R0.4  CC(C)NCCN F2187-0287 [1,1,0,0,0,0|1,0,1]=4
22  B6R0.4  CN(C)CCNN F2169-0397 [1,1,0,0,0,0|0,0,1]=3
23  B6R0.4  CN(C)\C=C\C=O F0001-2230 [1,1,0,0,0,0|0,0,1]=3
24  B6R0.4  CNCCN(C)C F0001-0495 [1,1,0,0,0,0|0,0,1]=3
25  B6R0.4  CSCCC(C)=O F0001-0996 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.4  NC(=O)NCCO F1019-0075 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.7  CN(C)S(N)(=O)=O F3334-0811 [0,1,0,0,1,0|1,0,0]=3
28  B8R0.23  CC(=O)CC(=O)N(C)C F0001-0723 [0,1,0,0,0,1|1,0,0]=3
29  B8R0.23  CC(C)C(N)CC(=O)O F0913-5477 [0,1,0,0,0,1|2,0,0]=4
30  B8R0.23  CC(C)CC(O)C(=O)O F8882-4328 [0,1,0,0,0,1|2,0,0]=4
31  B6R1.2  CC1CCNC1 F8887-6193 [1,0,0,1,0,0|1,0,1]=4
32  B6R1.2  O=C1NCCN1 F0001-0353 [1,0,0,1,0,0|2,0,0]=4
33  B6R1.5  NC1CC(=O)C1 F2147-8243 [1,0,0,1,0,0|2,0,0]=4
34  B8R1.23  CC1CC(C(=O)O)C1 F8889-8201 [0,0,0,1,0,1|2,0,0]=4
35  B8R1.51  CC1(C)CCC(=O)N1 F8884-1328 [0,0,0,1,0,1|1,0,0]=3
36  B8R1.34  O=C(O)CC1CCC1 F8889-2823 [0,1,0,1,0,0|2,0,0]=4