0 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 NCCCCC(O)=O T5089 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 OC(=O)COCCBr T14786 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 CCOCC(O)=O T37501 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 COCCC(O)=O T20899 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CSCCC(O)=O T5285 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 NC/C=C/C(O)=O T23414 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 NCCCC(O)=O T0508 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 OC/C=C/C(O)=O T23473 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.6 CC/C=C\CCO T22295 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 CCC/C=C/C=O T8099 [1,0,0,0,0,0|0,0,0]=1 12 B6R0.6 CCC/C=C/CO TN5162 [1,0,0,0,0,0|0,0,2]=3 13 B8R0.5 CCCC(C)OC(N)=O T32052 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.5 CCOC(=O)CC([O-])=O T22328 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.7 CC(=O)NCCCCN T7508 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.7 CCCCCCC(C)=O TN6693 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.7 NCCCCCC(O)=O T0881 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.8 CCCCC(C)C(O)=O T8080 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.8 CCCCC(O)C(O)=O T5224 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.8 CCCOC(=O)C(C)=C T20387 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.8 CSCCC(=O)C([O-])=O T33519 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.9 COC(C)COC(C)=O T20988 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [0,1,0,0,0,0|1,0,2]=4 28 B8R1.1 CCC1CCC(=O)O1 T8098 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.4 CC1CCN=C(N)C1 T21700 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,1,0,0|1,0,1]=3 38 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,1,0,0|1,0,1]=3 39 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 CC(C)=CCO T4747 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CNCC(O)=O T6975 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 NCCC(O)=O T0627 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 [O-]C(=O)/C=C\Cl T29626 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 CCCSSC T39668 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.2 CCC(C)CC(O)=O T19122 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.2 CCC(O)CC(O)=O T19121 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.3 CO/C=C/C(=O)OC TN6402 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.5 CC/C=C(\C)C(O)=O T8052 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.5 CCCC(=O)C(O)=O T13484 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.5 CCCC(C)C(O)=O T5685 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.5 CCCC(N)C(O)=O T11054 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.5 CCC[C@H](N)C(O)=O T4788 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.5 CCOC(=O)C(C)=O T8030 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.6 CC(C)CCC(O)=O T19138 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.6 CCOC(=O)C(Cl)C(C)=O T26408 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.1 CN[C@H](C)CCC=C(C)C T27155 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.24 COC(=O)/C=C/C(=O)OC T0492 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.47 CCCCOC(=O)C(Cl)Cl T30633 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.2 CC(=O)NCCCCCN T5222 [0,2,0,0,0,0|0,0,2]=4 64 B9R0.2 CCCCC/C=C/C(O)=O T5261 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.2 CCCCCCCC(C)=O T29360 [0,2,0,0,0,0|0,0,2]=4 66 B9R0.2 O=S(\C=C\CCN=C=S)C TL0016 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.48 CCOC(=O)/C=C/C(O)=O TN6813 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.7 CC(O)CNC(=O)C(C)=C T12137 [0,2,0,0,0,0|2,0,0]=4 69 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.3 O=C1NCCC=C1 TN3081 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.4 Cn1sccc1=O T19774 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.4 Cn1sccc1=O T28029 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.11 ONC(=O)C1=CCCC1 T25175 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.6 OC(=O)C1=CCCNC1 T7557 [0,1,0,1,0,0|1,0,0]=3 77 B9R1.6 OC(=O)C1=CCCNC1 TN1717 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.6 OC(=O)C1=CCNCC1 T11684 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,1,0,1,0,0|0,0,2]=4 80 B9R1.35 OC1CCC(=C1)C(O)=O T24146 [0,1,0,1,0,0|1,0,0]=3 81 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|0,0,2]=4