0 B8R0.4 C#CCCCCCCO CS10833 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 CCCCCOCCO MC437002 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 CCCCNCCCC CS11229 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.4 CCC\C=C\C=C\CO CS17006 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.4 OCCCCCCCBr CS13415 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.4 OCCCNCCCO CS21826 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 BrCCCCCCBr CS20550 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.1 C#CCCCCCO CS10705 [1,0,0,0,0,0|0,0,3]=4 8 B7R0.1 C=CCCCCCBr CS19607 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.1 OCCCCCCBr CS14335 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.2 CCCSCCCC(=O)O MC112372 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.5 CCCCCC(C)CCBr MC112329 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.5 CCCCCC(C)CCO MC112328 [0,1,0,0,0,0|0,0,2]=3 13 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.5 CCOC(=O)CCCCN CS14354 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.5 CCOC(=O)CNCCN MC436180 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.18 CCCCC(N)CCCC MC428161 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.45 C#CCCCCCCCO MC424005 [0,1,0,0,0,0|0,0,3]=4 18 B9R0.45 CCCCCCCCNC CS15827 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.45 ClCCCCCCCCCl CS20556 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.45 OCCCCCCCCBr CS14609 [0,1,0,0,0,0|0,0,2]=3 21 B9R0.45 OCCCCCCCCO CS20567 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.45 OCCOCCOCCO CS20932 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.46 COC(=O)CCCCCN CS11662 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.8 CCNC1CCCCC1 CS11778 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.8 NCCC1CCCCC1 CS18358 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.8 NCCC1CCOCC1 MC20509 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.8 OCCC1CCCCN1 CS13732 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.8 OCCC1CCCCN1 CS17564 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.8 OCCC1CCCCN1 MC445188 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.8 OCCC1CNCCN1 CS16449 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.8 OCCC1CNCCN1 CS16450 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.8 OCCC1CNCCN1 MC113929 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.8 OCCC1CNCCO1 MC107498 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.8 OCCN1CCNCC1 CS13442 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.8 OCCN1CCOCC1 CS11708 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.8 OCCN1CCSCC1 CS18622 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.12 CCCCC1C=CC=C1 MC114482 [0,0,0,1,0,0|1,0,2]=4 38 B9R1.14 CCN1CCCC1CN CS10140 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.15 CN1CCCCC1CO CS16091 [0,0,0,1,0,0|1,0,2]=4 40 B9R1.15 CN1CCCCC1CO CS16092 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.15 CN1CCCCC1CO CS18858 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.15 OCC1CCNCC1F MC121266 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.33 CN1C=CC=C1CCO MC106498 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.89 OCC1CCCCNC1 MC105285 [0,0,0,1,0,0|1,0,2]=4 45 B6R0.6 BrCCCCCBr MC41886 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.6 C#CCCCCO MC424004 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.6 C=CCCCCCl MC427568 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.6 C=CCCCCN MC111853 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.6 C=CCCCCO CS10397 [2,0,0,0,0,0|0,0,0]=2 50 B6R0.6 C=CCCC[Zn]Br MC121349 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.6 C=COCCCN MC41859 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.6 CCCOCCCl MC428009 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.6 COCCCCBr CS22933 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.6 COCCCCCl MC428014 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.6 FCCCCCBr CS14708 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.6 NCCCCCN CS19074 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.6 OCCCCCCl CS14778 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.6 OCCCCCO CS20549 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.6 OCCOCCO MC41893 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.1 CCCC(C)CCCO MC112367 [1,1,0,0,0,0|0,0,1]=3 61 B8R0.1 CCOC(=O)CCCO MC111642 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.6 CCCCCC(O)CCl MC114490 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.6 CCCCNC(=O)CCl CS11766 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.6 OCCCCC(O)CO MC41917 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.7 CCCCCCB(O)O MC31067 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.4 CCCCCCCCB(O)O MC31112 [0,2,0,0,0,0|0,0,2]=4 67 B10R0.1 CCCCCCC(C)CCO MC112333 [0,2,0,0,0,0|0,0,2]=4 68 B10R0.24 CCCCCC(CC)CCO MC112330 [0,2,0,0,0,0|0,0,2]=4 69 B8R1.2 BrCC1=CCCCC1 MC103521 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.2 BrCC1CCCCC1 CS19887 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.2 C=CC1CC=CCC1 MC115110 [1,0,0,1,0,0|0,0,2]=4 72 B8R1.2 CCC1CNCCO1 MC444035 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.2 CCC1CNCCO1 MC444058 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.2 CCC1CNCCO1 MC444187 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.2 ICC1CCOCC1 MC31010 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.2 NCC1CCCCC1 MC20908 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.2 NCC1CCOCC1 CS18584 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.2 NCC1CCSCC1 MC102976 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.2 NCC1CCSCC1 MC111187 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.2 OCC1CCC=CO1 MC20505 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.2 OCC1CCCCC1 MC20144 [1,0,0,1,0,0|0,0,1]=3 82 B8R1.2 OCC1CCCCN1 CS21780 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.2 OCC1CCCNC1 CS15958 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.2 OCC1CCCNC1 CS22817 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.2 OCC1CCCOC1 MC31058 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.2 OCC1CCNCC1 CS22819 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.2 OCC1CCOCC1 CS18741 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.5 CC1CCNCC1O MC103744 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.5 CC1CCNCC1O MC103745 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.5 CC1CCNCC1O MC105563 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.5 CC1CCNCC1O MC105564 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.5 CC1CCNCC1O MC444275 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.5 NC1CCCCC1O CS12403 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.5 NC1CCCCC1O CS12547 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.5 NC1CCCCC1O CS12548 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.5 NC1CCCCC1O CS14928 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.5 NC1CCCCC1O CS18590 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.5 NC1CCCCC1O MC20710 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.5 NC1CCCCC1O MC20824 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.5 O=C1NCCCC1O CS19689 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.5 O=C1OCCCC1O CS16147 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.5 OC1CCCCC1F MC107093 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.5 OC1CCCCC1O CS12029 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.8 ICCC1CCCC1 MC106254 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.8 NCCC1CCCC1 CS15909 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.8 OCCC1CCCN1 MC103847 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.8 OCCC1CCCN1 MC106622 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.10 OCCOC1CCC1 MC121362 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.11 CN1CCCC1CO CS14186 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.11 CN1CCCC1CO CS22816 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.11 O=C1NCCC1CO MC104392 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.22 FC1CCCNCC1 MC103919 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.49 C1=CCCC=CCC1 CS14877 [1,0,0,1,0,0|0,0,2]=4 114 B8R1.49 C1=CCCC=CCC1 MC115088 [1,0,0,1,0,0|0,0,2]=4 115 B8R1.49 C1=CCCC=CCC1 MC444943 [1,0,0,1,0,0|0,0,2]=4 116 B8R1.49 C1=CCCC=CCC1 MC444983 [1,0,0,1,0,0|0,0,2]=4 117 B8R1.49 C1=CCCC=CCC1 MC444992 [1,0,0,1,0,0|0,0,2]=4 118 B8R1.49 C1=CCCC=CCC1 MC444993 [1,0,0,1,0,0|0,0,2]=4 119 B8R1.49 C1=CCCC=CCC1 MC444996 [1,0,0,1,0,0|0,0,2]=4 120 B8R1.49 C1=CCCC=CCC1 MC444997 [1,0,0,1,0,0|0,0,2]=4 121 B8R1.49 C1=CCCC=CCC1 MC444998 [1,0,0,1,0,0|0,0,2]=4 122 B8R1.49 C1=CCCC=CCC1 MC445003 [1,0,0,1,0,0|0,0,2]=4 123 B8R1.49 C1=CCCC=CCC1 MC445012 [1,0,0,1,0,0|0,0,2]=4 124 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|0,0,0]=2 125 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.10 CCCC1CCCC(O)C1 MC106169 [0,1,0,1,0,0|0,0,2]=4 127 B10R1.18 CC(O)CC1CCNCC1 MC111203 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.11 CCNC(=O)C1CCCN1 MC438120 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.11 CCNC(=O)C1CCCN1 MC438121 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.21 OCCCCN1C=CC=N1 MC103358 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.135 CCOC(=O)C1CC1CBr MC116546 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.135 CCOC(=O)C1CC1CN MC113380 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.135 CCOC(=O)C1CC1CO MC113389 [0,1,0,1,0,0|1,0,0]=3 134 B10R1.4 CCCC1=CCCCC1=O MC106174 [0,1,0,1,0,0|0,0,2]=4 135 B10R1.17 OCCCN1CCOCC1 CS19670 [0,1,0,1,0,0|1,0,1]=4 136 B10R1.20 OCC1CCCCC1CO MC31260 [0,1,0,1,0,0|0,0,2]=4 137 B10R1.1 CCCC1CCC(=O)OC1 MC440473 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.15 NC(CO)C1CCCCC1 CS11201 [0,1,0,1,0,0|0,0,2]=4 139 B10R2.160 OCC1C2CNCC1C2 MC102429 [0,0,0,2,0,0|1,0,1]=4 140 B10R2.178 OC1CCC2CCC1N2 MC105540 [0,0,0,2,0,0|1,0,1]=4 141 B10R2.178 OC1CCC2CCC1N2 MC105545 [0,0,0,2,0,0|1,0,1]=4 142 B10R2.178 OC1CCC2CCC1N2 MC105546 [0,0,0,2,0,0|1,0,1]=4 143 B10R2.62 OC1CC2CCC1CC2 MC105832 [0,0,0,2,0,0|0,0,2]=4 144 B10R2.62 OC1CC2CCC1NC2 MC101978 [0,0,0,2,0,0|1,0,1]=4 145 B10R2.484 C1CC2(CCN1)CCO2 MC444134 [0,0,0,2,0,0|1,0,1]=4 146 B10R2.484 C1CNCC2(C1)CCO2 MC102069 [0,0,0,2,0,0|1,0,1]=4 147 B10R2.484 C1CNCC2(C1)CCO2 MC115791 [0,0,0,2,0,0|1,0,1]=4 148 B10R2.32 OC1CCC2CNCC12 MC105097 [0,0,0,2,0,0|1,0,1]=4 149 B10R2.99 BrCC1CC2C=CC1C2 MC21100 [0,0,0,2,0,0|1,0,0]=3 150 B10R2.99 NCC1CC2C=CC1C2 MC20938 [0,0,0,2,0,0|1,0,0]=3 151 B10R2.138 C1CC2CCC(CN1)O2 MC121376 [0,0,0,2,0,0|1,0,1]=4 152 B10R2.483 C1=CC2(CC1)OCCO2 MC428156 [0,0,0,2,0,0|1,0,0]=3 153 B10R2.483 C1COC2(C1)CCNC2 MC103898 [0,0,0,2,0,0|1,0,1]=4 154 B10R2.2 OC1CC2CNCC2C1 MC105100 [0,0,0,2,0,0|1,0,1]=4 155 B10R2.2 OC1CC2CNCC2C1 MC105101 [0,0,0,2,0,0|1,0,1]=4