0  B6R0.3  CC(CN)C(=O)O BB58-0275 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.3  CCC(N)C(=O)O BB55-8838 [0,0,0,0,0,0|1,0,0]=1
2  B6R0.3  C\C=C(/Br)C(=O)O BB58-4520 [0,0,0,0,0,0|2,0,2]=4
3  B6R0.3  NCC(O)C(=O)O BB58-4543 [0,0,0,0,0,0|2,0,0]=2
4  B5R0.1  CCCC(=N)N BB01-7895 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.3  CC\C(N)=N\O BB05-3255 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.3  OCC(O)CCl BB01-5909 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.5  CC(C)C(N)=O BB01-6147 [1,0,0,0,0,0|2,0,0]=3
8  B5R0.5  CC(C)C(N)=S BB01-7896 [1,0,0,0,0,0|2,1,0]=4
9  B7R0.5  CCNC(C)C(N)=O BB58-3590 [0,1,0,0,0,0|3,0,0]=4
10  B7R0.5  NCCC(N)C(=O)O BB57-6108 [0,1,0,0,0,0|1,0,0]=2
11  B7R0.5  O=C(Cl)C(Br)CCBr BB58-1369 [0,1,0,0,0,0|3,0,0]=4
12  B7R0.10  CCC(C)C(N)CO BB01-5326 [0,1,0,0,0,0|2,0,1]=4
13  B7R0.2  CC(C)CC(N)CO BB20-2191 [0,0,0,0,0,1|2,0,1]=4
14  B7R0.2  NCC(O)CC(=O)O BB57-4937 [0,0,0,0,0,1|2,0,0]=3
15  B4R0.1  CC(=O)NN BB01-6190 [2,0,0,0,0,0|2,0,0]=4
16  B4R0.1  CCC(N)=S BB58-4261 [2,0,0,0,0,0|1,1,0]=4
17  B4R0.1  CCS(=O)[O-] BB58-0194 [2,0,0,0,0,0|1,0,1]=4
18  B4R0.1  NC(=O)CO BB58-4485 [2,0,0,0,0,0|0,0,1]=3
19  B4R0.1  NC(=O)NO BB58-1684 [2,0,0,0,0,0|1,0,1]=4
20  B4R0.2  CNCCO BB53-1758 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.1  CCCC(=O)NN BB01-6388 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.1  CNC(=O)CCN BB32-2825 [1,1,0,0,0,0|2,0,0]=4
23  B6R0.4  CC(=O)NCCN BB20-2208 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.4  CCNCC(=O)O BB20-0183 [1,1,0,0,0,0|1,0,0]=3
25  B6R0.4  O=CNCC(=O)O BB01-7318 [1,1,0,0,0,0|0,0,2]=4
26  B8R0.23  CC(C)C(N)CC(=O)O BB01-4066 [0,1,0,0,0,1|1,0,0]=3
27  B8R0.3  CCCC(N)C(=O)OC BB55-8831 [0,2,0,0,0,0|1,0,0]=3
28  B8R0.3  CCOC(=O)C(N)CC BB57-6786 [0,2,0,0,0,0|1,0,0]=3
29  B8R0.3  CCOC(=O)C(N)CO BB20-2193 [0,2,0,0,0,0|0,0,0]=2
30  B8R0.3  CCOC(=O)[C@@H](N)CS BB01-6199 [0,2,0,0,0,0|0,1,0]=3
31  B8R0.3  CCOC(=O)\C(N)=N\O BB58-3416 [0,2,0,0,0,0|1,0,1]=4
32  B8R0.8  CCCCC(C)C(=O)O BB58-4619 [0,2,0,0,0,0|2,0,0]=4
33  B8R0.8  NCCCC(N)C(=O)O BB57-0193 [0,2,0,0,0,0|1,0,0]=3
34  B8R0.12  CCCC(C)(C)C(=O)O BB57-6787 [0,2,0,0,0,0|2,0,0]=4
35  B8R0.18  CCC(C(=O)O)C(=O)O BB01-8140 [0,2,0,0,0,0|1,0,1]=4
36  B6R1.2  O=C1CCSC1 BB01-8335 [1,0,0,1,0,0|1,1,0]=4
37  B6R1.2  OC1=NNCC1 BB53-1267 [1,0,0,1,0,0|2,0,0]=4
38  B6R1.11  CC(=O)C1CC1 BB01-6094 [1,0,0,1,0,0|2,0,0]=4
39  B8R1.5  NC1CCCNC1=O BB01-4609 [0,1,0,1,0,0|2,0,0]=4
40  B8R1.7  O=C(O)C1CC=CC1 BB01-7889 [0,1,0,1,0,0|2,0,0]=4
41  B8R1.7  O=C(O)C1CCOC1 BB58-1384 [0,1,0,1,0,0|1,0,0]=3
42  B8R1.7  O=C(O)C1CSCN1 BB57-0213 [0,1,0,1,0,0|0,1,0]=3
43  B8R1.63  N#CC1(C(=O)O)CC1 BB01-1063 [0,1,0,1,0,0|1,0,1]=4