0 B6R0.6 CC/C=C\CCO T22295 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.6 CCC/C=C/C=O T8099 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.6 CCC/C=C/CO TN5162 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.6 CCCCCCO TN6891 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.6 CCCCN=C=S TN6757 [0,0,0,0,0,0|1,1,1]=3 5 B6R0.6 ClCCCCC#N T20456 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 ClCCNCCCl T0565 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 NCCCCCN T4895 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 NCCOCC#C T16586 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 NCCOCCN T14009 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 NOCCCON T13990 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 OCCOCC#C T16656 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.6 OCCOCCBr T14787 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.6 OCCOCCO T21019 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 CCCSSC T39668 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 NCCCCN T22213 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.1 CCCCCCCO TN6893 [0,1,0,0,0,0|0,0,0]=1 17 B7R0.1 CCCSSCCC TN6758 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.1 CNCCOCCO T32120 [0,1,0,0,0,0|1,0,0]=2 19 B7R0.1 COCCOCCBr T18161 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.1 COCCOCCN T15842 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.1 CSCCCN=C=S T7873 [0,1,0,0,0,0|1,1,1]=4 22 B7R0.1 NCCCNCCS TQ0133 [0,1,0,0,0,0|1,1,0]=3 23 B7R0.1 NCCSSCCN T15035 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.1 NCCSSCCN T20109 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.1 NCCSSCCO T14257 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.1 NOCCOCC#C T14260 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.1 NOCCOCCO T14261 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.3 COC(=O)CCCN T22364 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.4 NCCCCC(O)=O T5089 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.4 OC(=O)COCCBr T14786 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.3 CC1CCOCO1 T21291 [0,0,0,1,0,0|1,0,0]=2 32 B7R1.3 NN1CCCCC1 T0533 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 O=C1CCCCO1 T4821 [0,0,0,1,0,0|1,0,1]=3 34 B7R1.3 O=C1OCCCO1 T21150 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.4 CC1OCCC1=O T8050 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.4 CN1CCCC1=O T5851 [0,0,0,1,0,0|1,0,2]=4 37 B4R0.2 CCNCC T31448 [2,0,0,0,0,0|1,0,0]=3 38 B4R0.2 CCNCC T9038 [2,0,0,0,0,0|1,0,0]=3 39 B4R0.2 CNCCO TN2779 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.2 OCCCO T40585 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 CC(C)CCC=O T20931 [1,1,0,0,0,0|0,0,2]=4 42 B6R0.4 CCOCC(O)=O T37501 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.4 COCCC(O)=O T20899 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.4 CSCCC(O)=O T5285 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.4 NCCCC(O)=O T0508 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.4 COCCOCCON T15843 [0,2,0,0,0,0|1,0,0]=3 47 B8R0.4 CSCCCCN=C=S T27282 [0,2,0,0,0,0|0,1,1]=4 48 B8R0.4 NCCCCCCCN T7998 [0,2,0,0,0,0|1,0,0]=3 49 B8R0.4 NOCCOCCON T14617 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.4 OCCOCCN=[N+]=[N-] T14416 [0,2,0,0,0,0|2,0,0]=4 51 B8R0.6 CCCCCC(O)CC TN1267 [0,2,0,0,0,0|0,0,0]=2 52 B8R0.6 NCCCCC(N)CS T33070 [0,2,0,0,0,0|0,1,0]=3 53 B8R0.7 CC(=O)NCCCCN T7508 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.7 CCCCCCC(C)=O TN6693 [0,2,0,0,0,0|0,0,1]=3 55 B8R0.7 NCCCCCC(O)=O T0881 [0,2,0,0,0,0|0,0,1]=3 56 B8R0.7 NCCOCCC(O)=O T14222 [0,2,0,0,0,0|1,0,1]=4 57 B8R0.7 OC(=O)CCOCCBr T14783 [0,2,0,0,0,0|1,0,1]=4 58 B8R0.7 OCCOCCC(O)=O T15510 [0,2,0,0,0,0|1,0,1]=4 59 B8R0.3 OC[C@@H](O)[C@@H](O)CC=O T4818 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [0,2,0,0,0,0|1,0,1]=4 61 B8R0.8 CCCCC(C)C(O)=O T8080 [0,2,0,0,0,0|0,0,1]=3 62 B8R0.8 CCCCC(O)C(O)=O T5224 [0,2,0,0,0,0|0,0,1]=3 63 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,2,0,0,0,0|0,0,1]=3 64 B8R0.8 COCCC(N)C(O)=O T33328 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.8 CSCCC(N)C(O)=O TJO2742 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.8 CSCCC(O)C(O)=O T20705 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [0,2,0,0,0,0|1,0,1]=4 72 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [0,2,0,0,0,0|1,0,1]=4 73 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.11 CCN(CC)CCCO T40709 [0,2,0,0,0,0|1,0,0]=3 75 B8R0.19 CCC(C)CC(=O)CC TN3128 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.25 CCP(O)(=O)CCCN T22647 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.5 CCOC(=O)CC(C)O T19314 [0,2,0,0,0,0|1,0,1]=4 78 B8R0.21 OP(O)(=O)CCCCBr T14039 [0,2,0,0,0,0|2,0,0]=4 79 B8R0.28 CC(C)CCCC(C)N T22389 [0,2,0,0,0,0|1,0,0]=3 80 B8R0.30 CCCS(=O)(=O)CCC T31522 [0,2,0,0,0,0|2,0,0]=4 81 B6R1.1 C1CSCSC1 T19081 [1,0,0,1,0,0|1,1,0]=4 82 B6R1.2 CN1CCCC1 T8029 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.5 CC1CCCCC1=O T36789 [0,1,0,1,0,0|0,0,1]=3 84 B8R1.5 N[C@@H]1CCCC[C@H]1N T0164 [0,1,0,1,0,0|1,0,0]=3 85 B8R1.5 O[C@@H]1CCCC[C@H]1O T4763 [0,1,0,1,0,0|0,0,0]=2 86 B8R1.5 O[C@H]1CCCC[C@H]1O TN6922 [0,1,0,1,0,0|0,0,0]=2 87 B8R1.22 O=C1CCCCCN1 T20386 [0,1,0,1,0,0|0,0,2]=4 88 B8R1.22 O=C1NCCCCC1 T20195 [0,1,0,1,0,0|0,0,2]=4 89 B8R1.22 O=C1NCCCCC1 T32363 [0,1,0,1,0,0|0,0,2]=4 90 B8R1.1 CCC1CCC(=O)O1 T8098 [0,1,0,1,0,0|0,0,1]=3 91 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,1,0,1,0,0|0,0,1]=3 92 B8R1.1 OC[C@H]1CC[C@H](O)C1 TN2950 [0,1,0,1,0,0|0,0,0]=2 93 B8R1.3 OC1COC(O)CO1 T4748 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.4 CC1CCCC(C)N1 T1007 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.4 CC1CCOC(C)O1 T21290 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [0,1,0,1,0,0|1,0,1]=4