0 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 CCCCSCCC(=O)O BB54-0237 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.4 C=CCCNCCC=C BB58-4950 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.4 C=CCCNCCOC BB58-0794 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.7 CC(=O)CCCOC=O BB54-0059 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.7 CCCCNCC(=O)O BB20-0185 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.74 CCCCCCCC(=O)NN BB12-3109 [0,1,0,0,0,0|1,0,2]=4 7 B10R1.10 CCCN1CCCC(=O)C1 BB55-8107 [0,0,0,1,0,0|1,0,2]=4 8 B10R1.18 O=C(O)CC1CCCCN1 BB54-1500 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.18 O=C(O)CC1CCCCO1 BB54-2724 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.18 O=C(O)CC1CCCOC1 BB12-1753 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.61 CC(=O)C1=C(N)CCCC1 BB58-2024 [0,0,0,1,0,0|1,0,1]=3 12 B10R1.61 CN1CCCCC1C(=O)O BB54-3898 [0,0,0,1,0,0|2,0,1]=4 13 B10R1.61 NC(=O)C1CCCCC1=O BB12-2086 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.61 NC(=O)C1CCCCC1N BB55-6549 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.61 O=C(O)C1CCCNC1=O BB12-1633 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.66 O=C(O)CCC1CCCO1 BB54-2864 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.162 O=C1CCCCC(CO)N1 BB58-2836 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [0,0,0,1,0,0|2,0,1]=4 21 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.4 C=CCSCC(=O)O BB12-3265 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.4 CC(=O)NCCCN BB32-2735 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.4 CC(=O)NCCCO BB12-3384 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 CCCNCC(=O)O BB20-0186 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.4 CCCOCC(=O)O BB55-7872 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.4 CCCSCC(=O)O BB12-3263 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CCOCCC(=O)Cl BB58-1931 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 CCSCCC(=O)O BB12-3270 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.55 CC(=O)CCCOC(C)=O BB54-0058 [1,1,0,0,0,0|1,0,1]=4 31 B11R0.30 NC(=O)NCCCCCC(=O)O BB31-2601 [0,2,0,0,0,0|2,0,0]=4 32 B9R1.8 O=CCC1CCCOC1 BB58-0314 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.15 O=CC1CCCCC1=O BB12-3722 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.50 O=C1CCCCCCC1 BB12-2910 [1,0,0,1,0,0|0,0,2]=4 35 B9R1.2 NCC1CCNC(=O)C1 BB31-2480 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.7 CCCC1CNC(=O)C1 BB55-7002 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.13 O=C(O)CC1CCCO1 BB54-2725 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [1,0,0,1,0,0|1,0,1]=4 43 B11R1.90 O=C(O)CCC1CCOC1=O BB54-4909 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.86 O=C(Cl)CN1CCCCC1=O BB58-1356 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.86 O=C(O)CN1CCCCC1=O BB55-4756 [0,1,0,1,0,0|2,0,0]=4 46 B11R1.193 C=CCN1CCC[C@H]1C(=O)O BB12-2694 [0,1,0,1,0,0|1,0,0]=3 47 B11R1.222 COC(=O)C1CCCCC1N BB57-4268 [0,1,0,1,0,0|1,0,1]=4 48 B11R1.222 COC(=O)C1CCCNC1=O BB54-0453 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.497 O=C1CCCCC(C(=O)O)N1 BB20-3012 [0,1,0,1,0,0|2,0,0]=4 50 B11R2.106 O=C1CCNC2CCCC12 BB54-5685 [0,0,0,2,0,0|1,0,1]=4 51 B11R2.845 CC(=O)C1CC2C=CC1C2 BB54-0149 [0,0,0,2,0,0|0,0,0]=2 52 B11R2.845 NC(=O)C1CC2C=CC1C2 BB58-1297 [0,0,0,2,0,0|1,0,0]=3