0  B8R0.1  C=CCCC(=O)OCC 7864AL [0,0,0,0,0,0|2,0,1]=3
1  B8R0.1  C=CCOC(=O)OCC 7327AL [0,0,0,0,0,0|1,0,1]=2
2  B8R0.1  CCCOC(=O)CCC 9026AJ [0,0,0,0,0,0|0,0,4]=4
3  B7R0.3  C=CCNC(=O)CCl U937 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.3  C=CCOC(=O)OC Z3261 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.3  CCCOC(=O)CC 7524AF [1,0,0,0,0,0|0,0,3]=4
6  B7R0.7  CCOC(=O)OCCl Z4637 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.7  CCOC(=O)\C=C\I V5131 [1,0,0,0,0,0|1,0,1]=3
8  B7R0.7  CCOC(=O)\C=C\[O-] 8763AB [1,0,0,0,0,0|1,0,1]=3
9  B9R1.8  C\C=C/C1=CC=CC=C1 7457AL [0,0,0,1,0,0|2,0,1]=4
10  B9R1.15  COC1=CC=CNC1=O 0705AB [0,0,0,1,0,0|2,0,1]=4
11  B9R1.15  COC1=CC=CNC1=O 4471AF [0,0,0,1,0,0|2,0,1]=4
12  B9R1.33  C=CCN1CCCC1=O 3699AL [0,0,0,1,0,0|1,0,2]=4
13  B9R1.69  CC1=CC(=O)NN=C1Cl W3714 [0,0,0,1,0,0|3,0,0]=4
14  B6R0.6  C\C=C\C=C\CO X5865 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.1  C=COC(=O)CC 7389AF [2,0,0,0,0,0|0,0,1]=3
16  B6R0.1  CCOC(=O)OC 7884AL [2,0,0,0,0,0|1,0,1]=4
17  B6R0.1  COC(=O)OCCl 0229AP [2,0,0,0,0,0|2,0,0]=4
18  B6R0.1  COC(=O)\C=C\I 9331AB [2,0,0,0,0,0|1,0,0]=3
19  B6R0.1  C\C=C\C(=O)CC 2730AL [2,0,0,0,0,0|0,0,1]=3
20  B8R0.8  C=CCOC(=O)C(=O)Cl 1182AQ [1,1,0,0,0,0|1,0,0]=3
21  B8R0.8  C=CCOC(=O)[C@H](C)N V4209 [1,1,0,0,0,0|0,0,1]=3
22  B10R0.109  C\C=C\C(=O)OCC(F)(F)F 9198AD [0,2,0,0,0,0|1,0,1]=4
23  B8R1.49  C1=CCCC=CCC1 4303AA [1,0,0,1,0,0|1,0,1]=4
24  B8R1.49  C1=CCCC=CCC1 4304AA [1,0,0,1,0,0|1,0,1]=4
25  B8R1.49  C1=CCCC=CCC1 4331AB [1,0,0,1,0,0|1,0,1]=4
26  B8R1.49  C1=CCCC=CCC1 G763 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.50  CC1=C(O)COC1=O 2737AL [1,0,0,1,0,0|1,0,0]=3
28  B8R1.50  O=C1OCC(Br)=C1Br 4605AD [1,0,0,1,0,0|2,0,0]=4
29  B8R1.4  O=C1C=C(I)C=CN1 Z5203 [1,0,0,1,0,0|2,0,0]=4
30  B10R1.130  C=CCC1CC(=O)OC1=O 7044AL [0,1,0,1,0,0|2,0,0]=4
31  B10R1.130  C=CCN1CC(=O)NC1=O 4746AL [0,1,0,1,0,0|2,0,0]=4
32  B10R1.130  C=CCN1N=C(C)C=C1C 4745AL [0,1,0,1,0,0|2,0,0]=4
33  B10R1.5  C=CCN1C=CC=C1C=O 4661AH [0,1,0,1,0,0|1,0,1]=4