0 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 CCCCSCCC(=O)O BB54-0237 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.2 CCOCCCNC(N)=O BB01-7613 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.7 CCCCNCC(=O)O BB20-0185 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.7 COCCCNC(N)=O BB01-7612 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.74 CCCCCCCC(=O)NN BB12-3109 [0,1,0,0,0,0|1,0,2]=4 6 B10R0.78 O=C(O)\C=C/C(=O)NCCO BB20-3131 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.16 CCCCN1C=CC(N)=N1 BB05-2478 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.16 CCCCN1C=CC(N)=N1 BB57-3148 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.18 NC(=O)NC1CCCCC1 BB01-7608 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.18 O=C(O)CC1CCCCN1 BB54-1500 [0,0,0,1,0,0|1,0,2]=4 11 B10R1.18 O=C(O)CC1CCCCO1 BB54-2724 [0,0,0,1,0,0|1,0,2]=4 12 B10R1.18 O=C(O)CC1CCCOC1 BB12-1753 [0,0,0,1,0,0|1,0,2]=4 13 B10R1.18 O=C(O)CN1CCCCC1 BB12-3617 [0,0,0,1,0,0|1,0,1]=3 14 B10R1.18 O=C(O)CN1CCCCC1 BB56-2134 [0,0,0,1,0,0|1,0,1]=3 15 B10R1.18 O=C(O)CN1CCOCC1 BB05-3789 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.18 O=C(O)CN1CCOCC1 BB56-2894 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.18 O=C(O)CN1CCSCC1 BB55-4774 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.39 CCC1=NNC=C1C(=O)O BB57-2172 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.39 CCN1CCC[C@H]1C(=O)O BB12-3032 [0,0,0,1,0,0|1,0,2]=4 20 B10R1.61 CN1CCCCC1C(=O)O BB54-3898 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [0,0,0,1,0,0|1,0,2]=4 22 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.66 O=C(O)CCC1CCCO1 BB54-2864 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.66 O=C(O)CCN1CCCC1 BB05-3788 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [0,0,0,1,0,0|1,0,1]=3 26 B7R0.4 CCCNCC(=O)O BB20-0186 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.4 CCCOCC(=O)O BB55-7872 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.4 CCCSCC(=O)O BB12-3263 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.4 CCOCCC(=O)Cl BB58-1931 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CCSCCC(=O)O BB12-3270 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.4 O=C(O)CNCCO BB58-1263 [2,0,0,0,0,0|2,0,0]=4 32 B11R0.148 CCCCSCCCCC(=O)O BB54-4514 [0,2,0,0,0,0|0,0,2]=4 33 B9R1.12 CCNCC1=CC=CO1 BB01-4781 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.12 NCCCC1=CC=CO1 BB01-5828 [1,0,0,1,0,0|1,0,1]=4 35 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.50 O=C1CCCCCCC1 BB12-2910 [1,0,0,1,0,0|0,0,2]=4 37 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [1,0,0,1,0,0|1,0,1]=4 38 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.7 CCCC1CNC(=O)C1 BB55-7002 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.13 O=C(O)CC1CCCO1 BB54-2725 [1,0,0,1,0,0|1,0,1]=4 43 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [1,0,0,1,0,0|0,0,1]=3 47 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [1,0,0,1,0,0|0,0,1]=3 48 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [1,0,0,1,0,0|1,0,1]=4 49 B11R1.124 CCCC1=CC(C(=O)O)=CS1 BB55-0638 [0,1,0,1,0,0|1,0,1]=4 50 B11R1.124 CCCC1=CC=C(C(=O)O)S1 BB05-2200 [0,1,0,1,0,0|0,0,2]=4 51 B11R1.124 CCCN1C=CC(C(=O)O)=N1 BB57-3026 [0,1,0,1,0,0|1,0,1]=4 52 B11R1.157 O=C(O)CN1CCCC(O)C1 BB12-1741 [0,1,0,1,0,0|1,0,1]=4 53 B11R1.172 O=C(O)CCCN1CCCC1 BB31-6636 [0,1,0,1,0,0|0,0,2]=4 54 B11R1.172 O=C(O)COCC1CCCO1 BB54-1031 [0,1,0,1,0,0|1,0,1]=4 55 B11R1.91 O=C(O)CCC1CCCCN1 BB54-4041 [0,1,0,1,0,0|0,0,2]=4 56 B11R1.91 O=C(O)CCC1CCCNC1 BB54-3377 [0,1,0,1,0,0|0,0,2]=4 57 B11R1.91 O=C(O)CCC1CCNCC1 BB55-8640 [0,1,0,1,0,0|0,0,2]=4 58 B11R1.91 O=C(O)COC1CCNCC1 BB57-1740 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.193 CCCC1=C(C(=O)O)C=NO1 BB57-2173 [0,1,0,1,0,0|1,0,1]=4 60 B11R1.193 CCCC1=NNC=C1C(=O)O BB55-3623 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.193 CCCN1CCCC1C(=O)O BB58-0838 [0,1,0,1,0,0|0,0,2]=4 62 B11R1.928 CC1(CC(=O)O)CCCCC1 BB58-5102 [0,1,0,1,0,0|0,0,2]=4 63 B11R1.20 CC1CCC(CC(=O)O)CC1 BB58-4368 [0,1,0,1,0,0|0,0,2]=4 64 B11R1.20 CC1CCN(CC(=O)O)CC1 BB56-2199 [0,1,0,1,0,0|1,0,1]=4 65 B11R1.20 NC1CCN(CC(=O)O)CC1 BB12-1759 [0,1,0,1,0,0|1,0,1]=4 66 B11R1.20 O=C(O)CN1CCC(O)CC1 BB12-3702 [0,1,0,1,0,0|1,0,1]=4 67 B11R1.35 O=C(O)C(=O)NC1CCCC1 BB55-4697 [0,1,0,1,0,0|1,0,0]=3 68 B11R1.36 CC(C(=O)O)N1CCCCC1 BB55-6243 [0,1,0,1,0,0|1,0,1]=4 69 B11R1.36 O=C(O)C(=O)N1CCOCC1 BB55-4712 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.737 NC1(C(=O)O)CCCCCC1 BB55-6496 [0,1,0,1,0,0|0,0,2]=4 71 B11R2.10 O=C1OC2CCCCC2O1 BB54-0661 [0,0,0,2,0,0|1,0,1]=4 72 B11R2.1852 O=C(O)C1C2CCCCC21 BB56-0805 [0,0,0,2,0,0|0,0,2]=4