0 B10R0.71 CCCCCCCCCC=O 223253 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.71 CCCCCCCCOC=O 102669 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.71 CCCCCCC\C=C\C=O 319883 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.71 CCCCC\C=C\C=C\C=O 240376 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.45 C=CCCCCCCCC 200050 [1,0,0,0,0,0|0,0,3]=4 5 B9R0.45 CCCCCCCCC=O 018925 [1,0,0,0,0,0|0,0,3]=4 6 B9R0.45 CCCCCC\C=C\C=O 106390 [1,0,0,0,0,0|0,0,1]=2 7 B9R0.45 CCCC\C=C\C=C\C=O 106729 [1,0,0,0,0,0|0,0,0]=1 8 B11R0.3 CCCCCCCC\C=C\C=O 104010 [0,1,0,0,0,0|0,0,2]=3 9 B11R1.4 CCCCCCC1=CSC=C1 201447 [0,0,0,1,0,0|2,0,1]=4 10 B11R1.17 CCCCC1=CC=CC=C1N 330100 [0,0,0,1,0,0|1,0,1]=3 11 B11R1.17 CCCOC1=CC=CC=C1F 218796 [0,0,0,1,0,0|2,0,1]=4 12 B11R1.17 OCCCC1=CC=CC=C1Cl 334105 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.28 BrCCCCC1=CC=CC=C1 008935 [0,0,0,1,0,0|2,0,0]=3 14 B11R1.28 BrCCCOC1=CC=CC=C1 001213 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.28 BrCCOCC1=CC=CC=C1 214587 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.28 CCCCNC1=CC=CC=C1 236771 [0,0,0,1,0,0|2,0,0]=3 17 B11R1.28 CCCCNC1=NC=CC=C1 102648 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.28 CCCCOC1=CC=CC=C1 001072 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.28 CCC\C=C\C1=CC=CC=C1 099042 [0,0,0,1,0,0|1,0,2]=4 20 B11R1.28 CNCCOC1=CC=CC=C1 023561 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.28 COCCSC1=NC=CC=C1 097658 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.28 ClCCCSC1=CC=CC=C1 106017 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.28 ClCCOCC1=CC=CC=C1 222450 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.28 NCCNCC1=CC=CC=C1 209057 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.28 NCCSCC1=CC=CC=C1 360466 [0,0,0,1,0,0|3,0,0]=4 26 B11R1.28 OCCCCC1=CC=CC=C1 003411 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.28 OCCCCC1=CC=NC=C1 032569 [0,0,0,1,0,0|3,0,0]=4 28 B11R1.28 OCCNCC1=CC=CC=C1 235550 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.28 OCCOCC1=CC=CC=C1 238804 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.28 OCCSCC1=CC=CC=C1 003733 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.41 CCOC1=C(C=O)C=CC=C1 420802 [0,0,0,1,0,0|1,0,2]=4 32 B8R0.4 CCCCCCCC=O 349298 [2,0,0,0,0,0|0,0,2]=4 33 B8R0.4 CCCCCCOC=O 102668 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.4 CCCCC\C=C\C=O 103998 [2,0,0,0,0,0|0,0,0]=2 35 B10R0.91 C=CCOC(=O)CCCCC 240754 [1,1,0,0,0,0|1,0,1]=4 36 B12R0.5 CCCCCCCCC\C=C\C=O 106698 [0,2,0,0,0,0|0,0,2]=4 37 B10R1.17 BrCCCC1=CC=CC=C1 113800 [1,0,0,1,0,0|1,0,1]=4 38 B10R1.17 CCCCC1=CC=CC=C1 240933 [1,0,0,1,0,0|0,0,1]=3 39 B10R1.17 CCCC[N+]1=CC=CC=C1 237751 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.17 CCCNC1=CC=CC=C1 324115 [1,0,0,1,0,0|1,0,1]=4 41 B10R1.17 CCCSC1=CC=CC=C1 094618 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.17 CCCSC1=NC=CC=C1 097642 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.17 CCNCC1=CC=CC=C1 239060 [1,0,0,1,0,0|1,0,1]=4 44 B10R1.17 CCOCC1=CC=CC=C1 240434 [1,0,0,1,0,0|1,0,1]=4 45 B10R1.17 CCSCC1=CC=CC=C1 094637 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.17 CNCCC1=CC=CC=C1 046956 [1,0,0,1,0,0|1,0,1]=4 47 B10R1.17 CNCCC1=NC=CC=C1 065480 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.17 ClCCCC1=CC=CC=C1 320132 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.17 NCCCC1=CC=CC=C1 008890 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.17 OCCCC1=CC=CC=C1 241187 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.17 OCCCC1=NC=CC=C1 234266 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.20 CCC1=CC=CC=C1C=O 092103 [1,0,0,1,0,0|0,0,2]=4 53 B10R1.21 CCCCCC1=CC=CO1 241560 [1,0,0,1,0,0|0,0,1]=3 54 B12R1.8 BrCCCCCC1=CC=CC=C1 008939 [0,1,0,1,0,0|1,0,0]=3 55 B12R1.8 CCCCCNC1=CC=CC=C1 099449 [0,1,0,1,0,0|1,0,0]=3 56 B12R1.8 CCCCCSC1=CC=CC=C1 094610 [0,1,0,1,0,0|1,0,0]=3 57 B12R1.8 CCCCNCC1=CC=CC=C1 001047 [0,1,0,1,0,0|1,0,0]=3 58 B12R1.8 OCCCCCC1=CC=CC=C1 242471 [0,1,0,1,0,0|1,0,0]=3 59 B12R1.8 OCCCOCC1=CC=CC=C1 224650 [0,1,0,1,0,0|2,0,0]=4 60 B12R1.28 CCCCOC1=CC=CC(Br)=C1 097747 [0,1,0,1,0,0|2,0,0]=4 61 B12R1.28 CCCCOC1=CC=CC(O)=C1 245758 [0,1,0,1,0,0|1,0,1]=4 62 B12R1.1 CCCCCC1=CC=C(Br)C=C1 018302 [0,1,0,1,0,0|1,0,0]=3 63 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 018420 [0,1,0,1,0,0|1,0,0]=3 64 B12R1.1 CCCCCC1=CC=C(F)C=C1 006311 [0,1,0,1,0,0|1,0,0]=3 65 B12R1.1 CCCCCC1=CC=C(I)C=C1 018749 [0,1,0,1,0,0|1,0,0]=3 66 B12R1.1 CCCCOC1=CC=C(I)C=C1 035660 [0,1,0,1,0,0|2,0,0]=4 67 B12R1.1 CCCCOC1=CC=C(N)C=C1 001735 [0,1,0,1,0,0|2,0,0]=4 68 B12R1.1 CCCCOC1=CC=C(O)C=C1 240953 [0,1,0,1,0,0|2,0,0]=4 69 B12R1.30 CCCCC(=O)C1=CC=CC=C1 242807 [0,1,0,1,0,0|1,0,1]=4 70 B12R1.30 CCCCC(N)C1=CC=NC=C1 180301 [0,1,0,1,0,0|2,0,0]=4 71 B12R1.30 CCCCC(N)C1=NC=CC=C1 099013 [0,1,0,1,0,0|1,0,0]=3 72 B12R1.30 CCCCC(O)C1=CC=CC=C1 242321 [0,1,0,1,0,0|1,0,0]=3 73 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 242318 [0,1,0,1,0,0|2,0,0]=4 74 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 242317 [0,1,0,1,0,0|2,0,0]=4 75 B12R2.2 C1=CC=C(C2CCCN2)C=C1 021298 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.41 C1=CC2=C(C=C1)CCNCC2 046252 [0,0,0,2,0,0|2,0,0]=4 77 B12R2.41 C1=CC=C2NCCCCC2=C1 036434 [0,0,0,2,0,0|1,0,1]=4 78 B12R2.1081 CC1NCCC2=C1C=CC=C2 077277 [0,0,0,2,0,0|2,0,0]=4 79 B12R2.1081 NC1CCCC2=C1C=CC=C2 219818 [0,0,0,2,0,0|2,0,0]=4 80 B12R2.1081 NC1CCCC2=CC=CC=C21 048220 [0,0,0,2,0,0|2,0,0]=4 81 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 048221 [0,0,0,2,0,0|2,0,0]=4 82 B12R2.1081 O=C1CCCC2=C1C=CC=C2 208977 [0,0,0,2,0,0|0,0,2]=4 83 B12R2.1081 OC1=C2CCCCC2=CC=C1 242836 [0,0,0,2,0,0|0,0,2]=4 84 B12R2.1081 OC1CCCC2=CC=CC=C21 069137 [0,0,0,2,0,0|2,0,0]=4 85 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 219879 [0,0,0,2,0,0|2,0,0]=4 86 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 219880 [0,0,0,2,0,0|2,0,0]=4 87 B12R2.2048 O=CC1=C(C2CC2)C=CC=C1 046126 [0,0,0,2,0,0|0,0,2]=4