0 B10R0.71 BrCCCCCCCCCBr 3900 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 CCCCCCC#CCCO 13074 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCCCCCC#CCO 11035 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.71 CCCCCCCCCCBr 2457 [0,0,0,0,0,0|1,0,1]=2 4 B10R0.71 CCCCCCCCCCI 3942 [0,0,0,0,0,0|1,0,1]=2 5 B10R0.71 CCCCOCCOCCO 12838 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.71 ClCCCCOCCCCCl 27344 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.71 ICCCCCCCCCI 3850 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.71 OCCCCCCCCCBr 23429 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.45 BrCCCCCCCCBr 3905 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.45 C#CCCCCCCCO 13081 [1,0,0,0,0,0|0,0,3]=4 11 B9R0.45 CCCCC#CCCCO 13076 [1,0,0,0,0,0|0,0,3]=4 12 B9R0.45 CCCCCC#CCCO 13073 [1,0,0,0,0,0|0,0,3]=4 13 B9R0.45 CCCCCCC#CCO 13067 [1,0,0,0,0,0|0,0,3]=4 14 B9R0.45 CCCCCCCCCBr 3809 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.45 CCCCCCCCCI 3958 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.45 ICCCCCCCCI 3851 [1,0,0,0,0,0|2,0,0]=3 17 B9R0.45 NCCCCNCCCN 36192 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.45 OCCCCCCCCO 36148 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.3 BrCCCCCCCCCCBr 3873 [0,1,0,0,0,0|1,0,1]=3 20 B11R0.3 CCCCCCCCCCCBr 3840 [0,1,0,0,0,0|1,0,1]=3 21 B11R0.3 CCCCCCCCCCCO 35937 [0,1,0,0,0,0|0,0,2]=3 22 B11R0.3 ICCCCCCCCCCI 3844 [0,1,0,0,0,0|1,0,1]=3 23 B11R0.3 OCCCCCCCCCCBr 36230 [0,1,0,0,0,0|0,0,2]=3 24 B11R0.40 CCCCCCCCC(O)CO 12680 [0,1,0,0,0,0|0,0,2]=3 25 B11R0.148 CCCCCCCCCC(=O)[O-] 29720 [0,1,0,0,0,0|0,0,0]=1 26 B11R0.148 CCCCCCCCC[C@H](C)O 15557 [0,1,0,0,0,0|0,0,2]=3 27 B11R0.148 COCCOCCOCC(=O)O 31987 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.17 CC1CCCCN1CCCN 20240 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.17 CCCCC1CCCCC1=O 20238 [0,0,0,1,0,0|0,0,0]=1 30 B11R1.28 NCCCNC1CCCCC1 20249 [0,0,0,1,0,0|2,0,1]=4 31 B11R1.28 OCCCCC1CCCCC1 16196 [0,0,0,1,0,0|0,0,2]=3 32 B11R1.117 NCCN1CCCCCCC1 23932 [0,0,0,1,0,0|2,0,1]=4 33 B8R0.4 BrCCCCCCCBr 3887 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.4 C#CCCCCCCC 13060 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.4 CCCCCCCCI 3959 [2,0,0,0,0,0|1,0,0]=3 36 B8R0.4 CCCOCCCCCl 1931 [2,0,0,0,0,0|2,0,0]=4 37 B8R0.4 OCCCCCCCO 11489 [2,0,0,0,0,0|1,0,1]=4 38 B10R0.4 C=CCCCCCCC(=O)O 27146 [1,1,0,0,0,0|0,0,2]=4 39 B10R0.4 CCCCCCCCB(O)O 29487 [1,1,0,0,0,0|1,0,1]=4 40 B10R0.4 CCCCCCCCN(C)C 35306 [1,1,0,0,0,0|1,0,1]=4 41 B10R0.4 NCCCCCCCC(=O)O 13165 [1,1,0,0,0,0|1,0,0]=3 42 B12R0.5 CCCCCCCCCCCCBr 3768 [0,2,0,0,0,0|1,0,1]=4 43 B12R0.5 CCCCCCCCCCCCI 3943 [0,2,0,0,0,0|1,0,1]=4 44 B12R0.5 OCCCCCCCCCCCBr 28139 [0,2,0,0,0,0|0,0,2]=4 45 B12R0.234 CCCCCCCCCCB(O)O 26286 [0,2,0,0,0,0|0,0,2]=4 46 B12R0.234 O=C(O)CCCCCCCCCO 25651 [0,2,0,0,0,0|0,0,0]=2 47 B12R0.248 CCCCCCCCOC(=O)CN 12487 [0,2,0,0,0,0|1,0,0]=3 48 B12R0.248 COC(=O)CCCCCCCCO 18968 [0,2,0,0,0,0|1,0,0]=3 49 B12R0.248 OCCCCCCCCC(O)CO 32259 [0,2,0,0,0,0|0,0,2]=4 50 B12R0.4 CCCCCCCC(O)CC(=O)O 35410 [0,2,0,0,0,0|0,0,0]=2 51 B10R1.4 CN1CCCCC1CCCl 6740 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.7 NC1CCCCCNC1=O 14099 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.17 CCCCC1CCNCC1 2453 [1,0,0,1,0,0|1,0,1]=4 54 B10R1.17 CCCCC1CCNCC1 2488 [1,0,0,1,0,0|1,0,1]=4 55 B10R1.17 CCOCC1CCCCN1 17612 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.17 COCCC1CCCCN1 23951 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.17 OCCCC1CCNCC1 16201 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.29 CCCCN1CCCC1=O 9159 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.85 ClCCN1CCCCCC1 21389 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.85 NCCN1CCCCCC1 23366 [1,0,0,1,0,0|2,0,0]=4 61 B12R1.18 NCCCN1CCCCCC1=O 36000 [0,1,0,1,0,0|1,0,0]=3 62 B12R1.318 CCOC(=O)CC1CCCC1=O 23864 [0,1,0,1,0,0|1,0,1]=4 63 B12R1.1 CCCCCC1CCC(O)CC1 20385 [0,1,0,1,0,0|1,0,1]=4 64 B12R1.252 O=C(O)CCCC1CCCCC1 15521 [0,1,0,1,0,0|0,0,0]=2 65 B12R1.255 O=C(O)CCCCC1CCSS1 14559 [0,1,0,1,0,0|2,0,0]=4 66 B12R1.255 O=C(O)CCCCC1CCSS1 6068 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.41 C1CCC2=NCCCN2CC1 12840 [0,0,0,2,0,0|2,0,0]=4 68 B12R2.24 O=C1CN[C@@H]2CCCC[C@H]2N1 27658 [0,0,0,2,0,0|2,0,0]=4 69 B12R2.24 O=C1CN[C@H]2CCCC[C@@H]2N1 27657 [0,0,0,2,0,0|2,0,0]=4 70 B12R2.8 O=C1NCCC12CCCNC2 34284 [0,0,0,2,0,0|2,0,0]=4 71 B12R2.8 O=C1OCCC12CCNCC2 20104 [0,0,0,2,0,0|2,0,0]=4