0  B5R0.1  COC[C@@H](C)N 3696 [1,0,0,0,0,0|2,0,1]=4
1  B5R0.1  O=C(O)\C=N\O 1812 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.3  CNC(=O)NN 657 [1,0,0,0,0,0|3,0,0]=4
3  B7R0.10  C=C(CBr)C(=O)OC 1082 [0,1,0,0,0,0|1,0,1]=3
4  B7R1.3  C[C@@H]1CNCCO1 906 [0,0,0,1,0,0|2,0,1]=4
5  B7R1.3  C[C@H]1CNCCO1 907 [0,0,0,1,0,0|2,0,1]=4
6  B7R1.3  NC1CCCCC1 4172 [0,0,0,1,0,0|2,0,1]=4
7  B6R0.3  CC(CO)C(=O)[O-] 4034 [1,1,0,0,0,0|1,0,1]=4
8  B6R0.3  CC[C@H](O)C(=O)O 3680 [1,1,0,0,0,0|0,0,0]=2
9  B6R0.3  NC(=O)[C@H](N)CS 361 [1,1,0,0,0,0|2,0,0]=4
10  B6R0.3  O=C(O)[C@@H](O)CO 3697 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.4  O=C(O)\C=C\CO 3677 [1,1,0,0,0,0|0,0,2]=4
12  B8R0.3  C=C(CBr)C(=O)OCC 1134 [0,2,0,0,0,0|1,0,1]=4
13  B8R0.3  C=C(CO)C(=O)OCC 964 [0,2,0,0,0,0|1,0,1]=4
14  B8R0.3  CONC(=O)C(=O)OC 4492 [0,2,0,0,0,0|1,0,1]=4
15  B8R0.3  CO\N=C(/Cl)C(=O)OC 4490 [0,2,0,0,0,0|1,0,1]=4
16  B6R1.2  N=C1CCCS1 2998 [1,0,0,1,0,0|1,1,0]=4
17  B8R1.51  CC1(C)C=CC(=O)C1 2961 [0,1,0,1,0,0|1,0,1]=4
18  B8R1.2  O=CC1=CCCSC1 1909 [0,1,0,1,0,0|2,0,0]=4