0 B7R0.3 CO/C=C/C(=O)OC TN6402 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.3 COC(=O)CCCN T22364 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.4 CCOCC(O)=O T37501 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.4 COCCC(O)=O T20899 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 CSCCC(O)=O T5285 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.4 NC/C=C/C(O)=O T23414 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 NCCCC(O)=O T0508 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 OC(=O)CCC#C T0580 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.4 OC(=O)CCC=C T8032 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.4 OC(=O)CNC=O T4741 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 OC/C=C/C(O)=O T23473 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 [O-]C(=O)CCC#C T13893 [1,0,0,0,0,0|0,0,3]=4 13 B6R0.6 CC/C=C\CCO T22295 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 CCC/C=C/C=O T8099 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCC/C=C/CO TN5162 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 CCCCCCO TN6891 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CCCCN=C=S TN6757 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.6 CCCCCC(O)CC TN1267 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.8 CCCOC(=O)C(C)=C T20387 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.8 CSCCC(=O)C([O-])=O T33519 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.9 COC(=O)CCC(C)=O TN4548 [0,1,0,0,0,0|0,0,1]=2 22 B8R0.19 CCC(C)CC(=O)CC TN3128 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.19 COC(=O)CC(=O)OC T5695 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.25 CCP(O)(=O)CCCN T22647 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.1 CCC1CCC(=O)O1 T8098 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.1 COC1CCC(=O)N1 TN4855 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.5 NC1CCCNC1=O T13495 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,1,0,0|1,0,0]=2 33 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|0,0,2]=4 34 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|0,0,1]=3 35 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 NCCC(O)=O T0627 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.1 NCCP(O)=O TN2749 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 NCCS(O)=O T5225 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 NOCC(O)=O T29033 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 NOCC(O)=O T5880 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.2 CCCSSC T39668 [2,0,0,0,0,0|1,1,0]=4 43 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|0,0,1]=3 44 B7R0.5 CCCC(=O)C(O)=O T13484 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.5 CCOC(=O)C(C)=O T8030 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.4 NCCCCC(O)=O T5089 [1,1,0,0,0,0|0,0,0]=2 49 B7R0.4 OC(=O)COCCBr T14786 [1,1,0,0,0,0|1,0,0]=3 50 B7R0.6 CC(=O)CCC(O)=O T5551 [1,1,0,0,0,0|0,0,1]=3 51 B7R0.6 CC(=O)NCC(O)=O T4822 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.6 CC(C)CCC(O)=O T19138 [1,1,0,0,0,0|0,0,0]=2 53 B7R0.6 OC(=O)CCC(O)=O T2719 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.6 OC(=O)CC[N+]([O-])=O T3009 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.8 CP(O)(=O)CCCN T23368 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.8 NCCCP(O)(O)=O T38205 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.8 NCCCS(O)(=O)=O T0883 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.1 CCCCCCCO TN6893 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.1 COCCOCCBr T18161 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.1 COCCOCCN T15842 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.18 OCCCC(=O)NCCO T31724 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.23 COC(=O)C(O)CC(C)C T9509 [0,2,0,0,0,0|0,0,0]=2 63 B9R0.1 COC(=O)CCCC(O)=O T4764 [0,2,0,0,0,0|0,0,1]=3 64 B9R0.24 COC(=O)CCC(=O)CN T19421 [0,2,0,0,0,0|0,0,1]=3 65 B9R0.24 COC(=O)CCC(=O)CN T5002 [0,2,0,0,0,0|0,0,1]=3 66 B9R0.24 COC(=O)CCC(=O)OC T5696 [0,2,0,0,0,0|0,0,1]=3 67 B9R0.46 COC(=O)CCOCCO T15511 [0,2,0,0,0,0|0,0,0]=2 68 B9R0.47 CCCCOC(=O)C(Cl)Cl T30633 [0,2,0,0,0,0|2,0,0]=4 69 B9R0.7 CC(O)CNC(=O)C(C)=C T12137 [0,2,0,0,0,0|2,0,0]=4 70 B9R0.42 COC(=O)C[C@H](O)C([O-])=O TN4487 [0,2,0,0,0,0|1,0,1]=4 71 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,0]=2 72 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.18 OC(=O)C1CCN1 T8100 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.18 OC(=O)[C@@H]1CCN1 TN6928 [1,0,0,1,0,0|1,0,0]=3 77 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|1,0,0]=3