0 B8R0.7 CC(=O)NCCCCN T7508 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 CCCCCCC(C)=O TN6693 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.7 NCCCCCC(O)=O T0881 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.4 NCCCCC(O)=O T5089 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.1 CN[C@H](C)CCC=C(C)C T27155 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.2 CC(=O)NCCCCCN T5222 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.2 CCCCC/C=C/C(O)=O T5261 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.2 CCCCCCCC(C)=O T29360 [0,1,0,0,0,0|0,0,2]=3 10 B9R0.2 CCCCCCCC(O)=O T3946 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.2 CCCCCNCC(N)=O T24465 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.2 CCCCCNCC(N)=O T50055 [0,1,0,0,0,0|1,0,2]=4 13 B9R0.2 O=S(\C=C\CCN=C=S)C TL0016 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.47 CCCCCC(C)C(O)=O T8008 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.48 CCOC(=O)/C=C/C(O)=O TN6813 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.6 OC(=O)C1=CCCNC1 T7557 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.6 OC(=O)C1=CCCNC1 TN1717 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.6 OC(=O)C1=CCNCC1 T11684 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.6 OC(=O)C1CCCCC1 T5563 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.6 OC(=O)C1CCCCN1 T4819 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [0,0,0,1,0,0|2,0,1]=4 23 B6R0.6 CC/C=C\CCO T22295 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.6 CCC/C=C/C=O T8099 [2,0,0,0,0,0|0,0,0]=2 25 B6R0.6 CCC/C=C/CO TN5162 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 NC/C=C/C(O)=O T23414 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 NCCCC(O)=O T0508 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 OC/C=C/C(O)=O T23473 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.5 CCCC(C)OC(N)=O T32052 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.5 CCOC(=O)CC(C)=O T15254 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.8 CCCCC(C)C(O)=O T8080 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.8 CCCCC(O)C(O)=O T5224 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.8 CCCOC(=O)C(C)=C T20387 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.8 CSCCC(=O)C([O-])=O T33519 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.9 COC(C)COC(C)=O T20988 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [1,1,0,0,0,0|1,0,1]=4 41 B10R0.3 CC(CCO)CCC=C(C)C T3240 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.3 C[C@@H](CCO)CCC=C(C)C T8266 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.3 C[C@H](CCO)CCC=C(C)C TN4931 [0,2,0,0,0,0|1,0,1]=4 44 B10R0.4 CC(=O)CCCCCCC=C T29489 [0,2,0,0,0,0|0,0,2]=4 45 B10R0.4 CCCCCCCOC(C)=O TN6701 [0,2,0,0,0,0|0,0,2]=4 46 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,2,0,0,0,0|0,0,2]=4 47 B8R1.5 CC1CCCCC1=O T36789 [1,0,0,1,0,0|0,0,2]=4 48 B8R1.22 O=C1CCCCCN1 T20386 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.22 O=C1NCCCCC1 T20195 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.22 O=C1NCCCCC1 T32363 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.4 CC1CC=CC(=O)O1 TN3177 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.28 CP(O)(=O)C1=CCNCC1 T23467 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,1,0,1,0,0|1,0,0]=3 57 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|0,0,2]=4 58 B10R1.113 CN1CC(C(O)=O)=CCC1 TN1398 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.113 CN1CCC=C(C1)C(O)=O T5799 [0,1,0,1,0,0|2,0,0]=4