0  B8R0.4  NCCCCCCCO D74762 [1,0,0,0,0,0|1,0,1]=3
1  B10R0.4  C#CCCCCCCC(=O)O AT18741 [0,1,0,0,0,0|0,0,2]=3
2  B10R0.4  O=C(O)COCCOCCO C70220 [0,1,0,0,0,0|3,0,0]=4
3  B10R0.71  NCCCCCNCCCN F51687 [0,1,0,0,0,0|2,0,1]=4
4  B10R1.4  COCC1=C(Br)CCCC1 E70189 [0,0,0,1,0,0|2,0,1]=4
5  B9R0.2  NC(=O)CCCCCCO AC4329 [1,1,0,0,0,0|1,0,0]=3
6  B11R0.176  O=C(O)CCCC[C@H](S)CCS 68441 [0,2,0,0,0,0|1,0,0]=3
7  B11R0.148  CCCCCCCCC[N+](=O)[O-] AT10296 [0,2,0,0,0,0|0,0,1]=3
8  B11R0.148  CCCCCCC\C=C/C(=O)O D86947 [0,2,0,0,0,0|0,0,1]=3
9  B11R0.148  O=C(O)CCOCCOCCS C70431 [0,2,0,0,0,0|2,0,0]=4
10  B11R0.148  O=CCCCCCCCC(=O)O C74321 [0,2,0,0,0,0|0,0,1]=3
11  B9R1.5  CC1CNCCCC1O 73109 [1,0,0,1,0,0|1,0,1]=4
12  B9R1.5  C[C@@H]1NCCCNC1=O Y14885 [1,0,0,1,0,0|2,0,0]=4
13  B9R1.5  C[C@H]1CNCCCC1=O 73108 [1,0,0,1,0,0|1,0,0]=3
14  B9R1.5  O=C1CCCNC[C@@H]1F 72716 [1,0,0,1,0,0|2,0,0]=4
15  B9R1.5  O=C1CCNCC[C@@H]1F 73001 [1,0,0,1,0,0|2,0,0]=4
16  B9R1.8  C=CC[C@H]1CCCCN1 D81549 [1,0,0,1,0,0|1,0,1]=4
17  B9R1.8  C=CC[C@H]1CCCCN1 Y11433 [1,0,0,1,0,0|1,0,1]=4
18  B9R1.8  CCC[C@H]1CCCCN1 Y10909 [1,0,0,1,0,0|1,0,0]=3
19  B9R1.8  COC[C@H]1CCCCN1 C76178 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.15  CN[C@H]1CCCCC1=O 79572 [1,0,0,1,0,0|1,0,0]=3
21  B9R1.15  CO[C@H]1CCCC[C@H]1N P20242 [1,0,0,1,0,0|2,0,0]=4
22  B9R1.15  N[C@H]1CCCC[C@@H]1CO AC1009 [1,0,0,1,0,0|1,0,1]=4
23  B9R1.15  N[C@H]1CCCC[C@H]1CO F18294 [1,0,0,1,0,0|1,0,1]=4
24  B9R1.33  COC[C@H]1CCCC1=O 79670 [1,0,0,1,0,0|1,0,0]=3
25  B11R1.24  CCCCC1=CC(=O)CCC1 D94147 [0,1,0,1,0,0|0,0,1]=3
26  B11R1.91  O=C(O)C#CC1CCCCC1 O10996 [0,1,0,1,0,0|0,0,2]=4
27  B11R1.91  O=C(O)CC[C@H]1CNCCO1 P19696 [0,1,0,1,0,0|2,0,0]=4
28  B11R1.91  O=C(O)CC[C@H]1CNCCO1 P19716 [0,1,0,1,0,0|2,0,0]=4
29  B11R1.271  CC(=O)OC[C@H]1CC[C@H]1CO AC9458 [0,1,0,1,0,0|2,0,0]=4
30  B11R1.706  O=C(O)[C@@H]1CCC=CCCC1 D77101 [0,1,0,1,0,0|0,0,2]=4
31  B11R2.565  O=C1C2CNCC1COC2 P11895 [0,0,0,2,0,0|2,0,0]=4
32  B11R2.1  O=C1CC[C@H]2CNCCN12 37768 [0,0,0,2,0,0|2,0,0]=4
33  B11R2.1  O=C1CC[C@H]2CNCCN12 P11138 [0,0,0,2,0,0|2,0,0]=4
34  B11R2.12  O=C1NC[C@@]12CCCNC2 P18250 [0,0,0,2,0,0|2,0,0]=4
35  B11R2.1261  C1CCC2(C1)CCCNC2 W13953 [0,0,0,2,0,0|2,0,0]=4
36  B11R2.63  CN1C2CCC(=O)C1CC2 P13193 [0,0,0,2,0,0|1,0,0]=3
37  B11R2.3  O=C1NCC[C@@]12CCCN2 C13823 [0,0,0,2,0,0|2,0,0]=4