0  B11R1.24  CCCCC1=CC(=O)CCC1 D94147 [0,0,0,0,0,0|1,0,1]=2
1  B10R0.4  C#CCCCCCCC(=O)O AT18741 [0,0,1,0,0,0|0,0,2]=3
2  B10R0.4  O=C(O)COCCOCCO C70220 [0,0,1,0,0,0|3,0,0]=4
3  B12R2.24  O=C1CCN2CCOC[C@@H]2C1 56621 [0,0,0,1,0,0|3,0,0]=4
4  B12R2.1081  O=C1CCC[C@H]2CNCCN12 98001 [0,0,0,1,0,0|2,0,0]=3
5  B12R2.1081  O=C1COC[C@@H]2CNCCN12 89522 [0,0,0,1,0,0|3,0,0]=4
6  B12R2.1081  O=C1COC[C@@H]2CNCCN12 CS2379 [0,0,0,1,0,0|3,0,0]=4
7  B12R2.1081  O=C1COC[C@@H]2CNCCN12 W14399 [0,0,0,1,0,0|3,0,0]=4
8  B12R2.1081  O=C1NCCC2CNCCC12 56613 [0,0,0,1,0,0|3,0,0]=4
9  B9R0.5  CCCCNC(=O)CCC D86376 [1,0,1,0,0,0|1,0,0]=3
10  B9R0.2  NC(=O)CCCCCCO AC4329 [1,0,1,0,0,0|2,0,0]=4
11  B9R1.2  CC[C@H]1CCCC(=O)N1 D96357 [2,0,0,0,0,0|1,0,0]=3
12  B9R1.8  CCC[C@H]1CCCCN1 Y10909 [2,0,0,0,0,0|1,0,1]=4
13  B11R0.4  CCCCC\C=C\C(=O)OCC D75938 [0,1,1,0,0,0|2,0,0]=4
14  B11R0.4  CCOC(=O)CCCCCCCl AC9325 [0,1,1,0,0,0|2,0,0]=4
15  B11R0.148  CCCCCCCCC[N+](=O)[O-] AT10296 [0,1,1,0,0,0|1,0,1]=4
16  B11R0.148  CCCCCCC\C=C/C(=O)O D86947 [0,1,1,0,0,0|0,0,1]=3
17  B11R0.148  O=C(O)CCOCCOCCS C70431 [0,1,1,0,0,0|2,0,0]=4
18  B11R0.148  O=CCCCCCCCC(=O)O C74321 [0,1,1,0,0,0|0,0,1]=3
19  B11R1.706  O=C(O)[C@@H]1CCC=CCCC1 D77101 [0,0,1,1,0,0|0,0,2]=4
20  B11R1.20  C[C@H]1CC[C@H](CC(=O)O)CC1 50017 [0,0,1,1,0,0|2,0,0]=4
21  B11R2.1478  O=C1CCCC2(CCC2)C1 W18293 [1,0,0,1,0,0|1,0,0]=3
22  B11R2.1478  O=C1CCNC2(CCC2)C1 F31207 [1,0,0,1,0,0|2,0,0]=4
23  B11R2.1478  O=C1CNCC2(CCC2)N1 P13827 [1,0,0,1,0,0|2,0,0]=4
24  B11R2.1478  O=C1COCC2(CCC2)N1 W15706 [1,0,0,1,0,0|2,0,0]=4
25  B11R2.20  C1COC2CCNCC2C1 54142 [1,0,0,1,0,0|1,0,1]=4
26  B11R2.20  C1COC2CCNCC2C1 AC2525 [1,0,0,1,0,0|1,0,1]=4
27  B11R2.20  C1COC2CNCCC2C1 W14314 [1,0,0,1,0,0|1,0,1]=4
28  B11R2.1261  C1CCC2(C1)CCCNC2 W13953 [1,0,0,1,0,0|2,0,0]=4
29  B11R2.10  O=C1NC2CCNCC2O1 P14510 [0,0,0,1,1,0|2,0,0]=4
30  B11R2.748  O=C1CC[C@@]2(CCNC2)N1 38006 [0,0,0,1,1,0|2,0,0]=4
31  B11R2.3  O=C1NCC[C@@]12CCCN2 C13823 [0,0,0,1,1,0|2,0,0]=4
32  B13R2.32  CN1C(=O)CC[C@H]2CNCC[C@@H]21 W12403 [0,1,0,1,0,0|2,0,0]=4
33  B13R2.11128  O=C1CCCC2(CCCCC2)C1 F14293 [0,1,0,1,0,0|1,0,0]=3
34  B13R2.11128  O=C1CCCC2(CCNCC2)N1 P11461 [0,1,0,1,0,0|1,0,0]=3
35  B9R1.33  COC[C@H]1CCCC1=O 79670 [1,0,0,0,1,0|1,0,0]=3