0 B8R0.7 CC(=O)NCCCCN T7508 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.7 CCCCCCC(C)=O TN6693 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.7 NCCCCCC(O)=O T0881 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.1 CSCCCN=C=S T7873 [1,0,0,0,0,0|1,1,1]=4 4 B7R0.4 NCCCCC(O)=O T5089 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.1 CN[C@H](C)CCC=C(C)C T27155 [0,1,0,0,0,0|3,0,0]=4 6 B9R0.2 CC(=O)NCCCCCN T5222 [0,1,0,0,0,0|2,0,0]=3 7 B9R0.2 CCCCC/C=C/C(O)=O T5261 [0,1,0,0,0,0|3,0,0]=4 8 B9R0.2 CCCCCCCC(C)=O T29360 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.2 CCCCCCCC(O)=O T3946 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.2 CCCCCNCC(N)=O T24465 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.2 CCCCCNCC(N)=O T50055 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.2 CNCCOCCC(O)=O T16047 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.2 COCCOCCC(O)=O T15841 [0,1,0,0,0,0|2,1,0]=4 14 B9R0.47 CCCCCC(C)C(O)=O T8008 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.55 CC(=O)NCCCC(O)=O T4728 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.55 CC(=O)OCCCC(O)=O T23605 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.6 OC(=O)C1CCCCC1 T5563 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.6 OC(=O)[C@H]1CCCNC1 T20114 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.6 OC([C@@H]1CCCNC1)=O T22482 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.41 CN1CCC[C@H]1C(O)=O T40569 [0,0,0,1,0,0|3,0,0]=4 21 B6R0.6 CCC/C=C/C=O T8099 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|1,1,0]=4 24 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 NCCCC(O)=O T0508 [2,0,0,0,0,0|2,0,0]=4 26 B8R0.5 CCCC(C)OC(N)=O T32052 [1,1,0,0,0,0|1,0,0]=3 27 B8R0.8 CCCCC(C)C(O)=O T8080 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.8 CCCCC(O)C(O)=O T5224 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.8 COCCC(N)C(O)=O T33328 [1,1,0,0,0,0|1,1,0]=4 31 B8R0.8 CSCCC(=O)C([O-])=O T33519 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.8 CSCCC(N)C(O)=O TJO2742 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.8 CSCCC(O)C(O)=O T20705 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.8 CSCCC(O)C([O-])=O T5082 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [1,1,0,0,0,0|1,1,0]=4 38 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [1,1,0,0,0,0|1,1,0]=4 39 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [1,1,0,0,0,0|1,1,0]=4 40 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|0,1,1]=4 41 B8R0.9 COC(C)COC(C)=O T20988 [1,1,0,0,0,0|0,1,0]=3 42 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [1,1,0,0,0,0|1,0,1]=4 43 B10R0.4 CC(=O)CCCCCCC=C T29489 [0,2,0,0,0,0|2,0,0]=4 44 B10R0.4 CCCCCCCOC(C)=O TN6701 [0,2,0,0,0,0|1,0,0]=3 45 B10R0.74 CCCCCCCC(=O)OC TN6890 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.5 CC1CCCCC1=O T36789 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.22 O=C1CCCCCN1 T20386 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.22 O=C1NCCCCC1 T20195 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.22 O=C1NCCCCC1 T32363 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,1,0,0|1,1,0]=4 52 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|1,1,0]=4 53 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.4 CC1CCOC(C)O1 T21290 [1,0,0,1,0,0|0,0,2]=4 55 B8R1.7 C1[C@@H](NCS1)C(=O)O T21115 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.7 OC(=O)C1CSCN1 T0221 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.7 OC(=O)C1CSSC1 T10388 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.7 OC(=O)[C@@H]1CSCN1 T4292 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.64 CC(=O)NC1CCSC1=O T0316 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.64 CC(NC1CCSC1=O)=O T6807 [0,1,0,1,0,0|1,0,1]=4 61 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|2,0,0]=4