0 B10R0.3 CCOC(=O)CCNC(N)=O BB01-7604 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.1 COC(=O)CCC[N+](=O)[O-] BB54-1368 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [1,0,0,0,0,0|0,0,1]=2 3 B9R0.2 CCCCSCCC(=O)O BB54-0237 [1,0,0,0,0,0|1,0,1]=3 4 B9R0.5 [C-]#[N+]CCCC(=O)OCC BB56-1524 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.90 O=C(O)CCC1CCOC1=O BB54-4909 [0,0,0,1,0,0|1,0,0]=2 6 B11R1.157 O=C(O)CN1CCCC(O)C1 BB12-1741 [0,0,0,1,0,0|1,0,2]=4 7 B11R1.157 O=C(O)CN1CCOC(=O)C1 BB54-2729 [0,0,0,1,0,0|2,0,0]=3 8 B11R1.172 O=C(O)CCCN1CCCC1 BB31-6636 [0,0,0,1,0,0|2,0,0]=3 9 B11R1.172 O=C(O)CCNC1=NCCC1 BB52-7676 [0,0,0,1,0,0|2,0,0]=3 10 B11R1.172 O=C(O)COCC1CCCO1 BB54-1031 [0,0,0,1,0,0|1,0,2]=4 11 B9R0.48 CCOC(=O)CNC(N)=O BB01-7596 [0,0,0,0,1,0|3,0,0]=4 12 B9R0.48 CCOC(=S)SCC(=O)O BB57-7098 [0,0,0,0,1,0|2,1,0]=4 13 B8R0.7 CCCCNCC(=O)O BB20-0185 [2,0,0,0,0,0|1,0,0]=3 14 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [2,0,0,0,0,0|2,0,0]=4 15 B8R0.28 NC(=O)CCCC(=O)O BB12-2466 [2,0,0,0,0,0|1,0,0]=3 16 B8R0.28 NC(=O)COCC(=O)O BB12-2362 [2,0,0,0,0,0|2,0,0]=4 17 B10R0.74 CCCCCCCC(=O)NN BB12-3109 [1,1,0,0,0,0|1,0,1]=4 18 B10R0.96 CC(C)NC(=O)NCC(=O)O BB26-0326 [0,1,0,0,1,0|2,0,0]=4 19 B12R0.258 CC(C)NC(=O)C(N)CCC(N)=O BB57-4061 [0,2,0,0,0,0|2,0,0]=4 20 B10R1.13 CN1CCC(C(=O)O)CC1 BB12-2769 [1,0,0,1,0,0|2,0,0]=4 21 B10R1.13 CN1CCC(C(=O)O)CC1 BB56-1999 [1,0,0,1,0,0|2,0,0]=4 22 B10R1.13 O=C1CCC(C(=O)O)CN1 BB58-1718 [1,0,0,1,0,0|1,0,0]=3 23 B10R1.54 O=C(O)CC1CCC(=O)N1 BB58-3082 [1,0,0,1,0,0|1,0,0]=3 24 B10R1.10 CCCN1CCCC(=O)C1 BB55-8107 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.18 O=C(O)CC1CCCCN1 BB54-1500 [1,0,0,1,0,0|1,0,1]=4 26 B10R1.18 O=C(O)CC1CCCCO1 BB54-2724 [1,0,0,1,0,0|1,0,1]=4 27 B10R1.18 O=C(O)CC1CCCOC1 BB12-1753 [1,0,0,1,0,0|1,0,0]=3 28 B10R1.18 O=C(O)CC1CNCCO1 BB58-3589 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.18 O=C(O)CN1CCCCC1 BB12-3617 [1,0,0,1,0,0|1,0,1]=4 30 B10R1.18 O=C(O)CN1CCCCC1 BB56-2134 [1,0,0,1,0,0|1,0,1]=4 31 B10R1.39 CCN1CCC[C@H]1C(=O)O BB12-3032 [1,0,0,1,0,0|1,0,1]=4 32 B10R1.61 CN1CCCCC1C(=O)O BB54-3898 [1,0,0,1,0,0|1,0,1]=4 33 B10R1.61 NC1CC=CCC1C(=O)O BB57-4278 [1,0,0,1,0,0|1,0,1]=4 34 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [1,0,0,1,0,0|1,0,1]=4 35 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [1,0,0,1,0,0|1,0,1]=4 36 B10R1.66 O=C(O)CCC1CCCO1 BB54-2864 [1,0,0,1,0,0|1,0,0]=3 37 B10R1.66 O=C(O)CCN1CCCC1 BB05-3788 [1,0,0,1,0,0|1,0,1]=4 38 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.25 CC1=CCC(C=O)C(C)C1 BB17-2242 [1,0,0,1,0,0|1,0,1]=4 40 B10R1.113 CN1CCCC(C(=O)O)C1 BB12-2768 [0,0,0,1,1,0|2,0,0]=4 41 B10R1.113 O=C1CSCC(C(=O)O)N1 BB01-5725 [0,0,0,1,1,0|2,0,0]=4 42 B12R1.279 CCCN1CCCC(C(=O)O)C1 BB58-0836 [0,0,0,1,0,1|2,0,0]=4 43 B12R1.113 CCCN1CCC(C(=O)O)CC1 BB58-0833 [0,1,0,1,0,0|2,0,0]=4 44 B12R1.252 O=C(O)CCCC1CCCCN1 BB54-3408 [0,1,0,1,0,0|1,0,1]=4 45 B12R1.252 O=C(O)CCCC1CCNCC1 BB12-2225 [0,1,0,1,0,0|1,0,1]=4 46 B12R1.252 O=C(O)CCCN1CCOCC1 BB55-6548 [0,1,0,1,0,0|2,0,0]=4 47 B12R1.125 O=C(Cl)CCN1CCCCC1=O BB58-1355 [0,1,0,1,0,0|2,0,0]=4 48 B12R1.895 CC1=NNC(=O)C1CCC(=O)O BB01-1810 [0,1,0,1,0,0|1,0,1]=4 49 B12R1.895 O=C(O)CCN1C(=O)CCC1=O BB05-3279 [0,1,0,1,0,0|1,0,1]=4 50 B12R2.1661 O=C(O)CC1CC2CCC1C2 BB57-6815 [0,0,0,2,0,0|1,0,1]=4 51 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [1,0,0,0,1,0|0,0,0]=2 52 B8R0.9 CCC(=O)NCC(=O)O BB55-4733 [1,0,0,0,1,0|1,0,0]=3 53 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [1,0,0,0,1,0|1,0,1]=4 54 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [1,0,0,0,1,0|2,0,0]=4 55 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [1,0,0,0,1,0|1,0,0]=3 56 B8R0.9 NCC(=O)CCC(=O)O BB57-4885 [1,0,0,0,1,0|1,0,0]=3 57 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [0,0,0,0,2,0|1,0,1]=4 58 B8R0.5 CCNC(=O)CC(=O)O BB57-2976 [0,0,0,0,2,0|1,0,0]=3 59 B8R0.5 COCC(=O)CC(C)=O BB58-1952 [0,0,0,0,2,0|2,0,0]=4