0  B11R0.40  CCCCCCCCC(=O)CC 6166AL [0,0,0,0,0,0|1,0,2]=3
1  B10R0.4  CCCCCCCCC(=O)Cl 8642AL [1,0,0,0,0,0|1,0,2]=4
2  B10R0.4  CCCCCCCCC(=O)[O-] 8744AL [1,0,0,0,0,0|0,0,3]=4
3  B10R0.4  CCCCCCCOC(=O)Cl 3970AB [1,0,0,0,0,0|2,0,1]=4
4  B10R0.4  CCCCCC\C=C\C(C)=O 2414AL [1,0,0,0,0,0|0,0,2]=3
5  B10R0.71  CCC#CCCCCCCC 6167AL [1,0,0,0,0,0|1,0,2]=4
6  B10R0.74  CCCCCCCC(=O)N[O-] 7323AL [1,0,0,0,0,0|2,0,1]=4
7  B10R0.74  COC(=O)CCCCCCBr W6840 [1,0,0,0,0,0|1,0,1]=3
8  B10R0.74  COC(=O)CCCCCCN W3908 [1,0,0,0,0,0|1,0,1]=3
9  B12R0.248  COC(=O)CCCCCCCCO Y1474 [0,1,0,0,0,0|0,0,2]=3
10  B9R0.2  CCCCCCCC(N)=O 7980AF [2,0,0,0,0,0|1,0,1]=4
11  B9R0.2  CCCCCCC[13C](=O)O 8956AJ [2,0,0,0,0,0|0,0,1]=3
12  B9R0.2  CCCCCCOC(C)=O 7968AF [2,0,0,0,0,0|1,0,0]=3
13  B9R0.2  NCCCCCCC(=O)O X4768 [2,0,0,0,0,0|1,0,1]=4
14  B9R0.45  CCC#CCCCCCC 5747AF [2,0,0,0,0,0|0,0,1]=3
15  B9R0.45  CCCCCCC#CCO V0621 [2,0,0,0,0,0|0,0,1]=3
16  B9R0.46  CCCCCCC(=O)NN 7657AD [2,0,0,0,0,0|2,0,0]=4
17  B9R0.46  COC(=O)CCCCCO 6266AB [2,0,0,0,0,0|1,0,0]=3
18  B11R0.148  CCCCCCC\C=C\C(=O)O 4127AH [1,1,0,0,0,0|0,0,2]=4
19  B11R0.148  CCCCOCCOCC(=O)O 4029AL [1,1,0,0,0,0|1,0,1]=4
20  B11R0.148  O=C(O)CCCCCCCCBr Z4721 [1,1,0,0,0,0|0,0,2]=4
21  B11R0.3  CCCCC#CCCCCCC 6768AL [1,1,0,0,0,0|1,0,1]=4
22  B13R0.2  CCOC(=O)CCCCCCCCBr 7869AL [0,2,0,0,0,0|0,0,2]=4
23  B13R0.147  CCCCCCCCC#CC(=O)OC 5807AL [0,2,0,0,0,0|0,0,0]=2
24  B13R0.147  COC(=O)CCCCCCCCC=O 8237AL [0,2,0,0,0,0|0,0,2]=4
25  B11R1.86  CC(=O)CN1CCCCC1C 8273AD [1,0,0,1,0,0|1,0,1]=4
26  B11R1.91  CC(=O)OCC1CCCCC1 7517AL [1,0,0,1,0,0|1,0,1]=4
27  B11R1.742  O=C(O)CN1CCCCCC1 4967AE [1,0,0,1,0,0|1,0,1]=4
28  B11R1.40  COC(=O)CC1CCCCC1 7045AA [1,0,0,1,0,0|0,0,1]=3
29  B11R1.40  COC(=O)CC1CCCNC1 V4654 [1,0,0,1,0,0|1,0,1]=4
30  B11R1.40  COC(=O)CC1CCNCC1 X4709 [1,0,0,1,0,0|1,0,1]=4
31  B11R1.40  COC(=O)CC1CCOCC1 V3532 [1,0,0,1,0,0|1,0,1]=4
32  B11R1.40  NOC(=O)CC1CCCCC1 W7029 [1,0,0,1,0,0|1,0,1]=4
33  B11R1.222  COC(=O)C1CCCCN1C W3683 [1,0,0,1,0,0|1,0,1]=4
34  B13R1.1575  CCOC(=O)CC1CCCCCC1 2512AC [0,1,0,1,0,0|0,0,2]=4
35  B13R1.135  COC(=O)[C@H](N)CC1CCCCC1 V3344 [0,1,0,1,0,0|0,0,2]=4
36  B13R1.11  COC(=O)CC(=O)C1CCCCC1 9900AB [0,1,0,1,0,0|0,0,2]=4