0 B6R0.6 BrCCCCC#N PI-22651 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 BrCCCCC=C PI-39147 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCCO PI-40904 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C(CCBr)CCBr PI-44626 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C(CCN)CCN PI-46858 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C(CCO)CCCl PI-44261 [0,0,0,0,0,0|2,1,1]=4 6 B6R0.6 C(CCS)CCS PI-11006 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C(CN=C=S)CBr PI-22582 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.6 CCCCCCN PI-46860 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 CCCCCNC PI-21907 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 CCCCN=C=S PI-22957 [0,0,0,0,0,0|0,0,0]=0 11 B6R0.6 CCCOCCCl PI-47054 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 CCCSCCC PI-48482 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 CCC\C=C\C=O PI-40157 [0,0,0,0,0,0|1,1,2]=4 14 B6R0.6 CCNCCC#N PI-19315 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 CNCCCNC PI-32197 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 COCCCCBr PI-39605 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 COCCOCCl PI-12842 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 ClCCCCC#C PI-19028 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 ClCCCCC=O PI-34745 [0,0,0,0,0,0|2,1,1]=4 20 B6R0.6 ClCCCCCBr PI-10753 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.2 BrCCCC=C PI-39146 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 BrCCSCC PI-21417 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C(CBr)N=C=S PI-21421 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.2 C(CC#N)CBr PI-41208 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 C(CCBr)CCl PI-15812 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 C(CCBr)CN PI-46910 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 C(CCCl)CO PI-15813 [1,0,0,0,0,0|1,1,1]=4 28 B5R0.2 C(CCS)CS PI-11005 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 CCCSSC PI-48493 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 CCNCCN PI-13215 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 CCSCCN PI-22120 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 CNCCNC PI-39066 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 CNCCSC PI-35879 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 COCCC=O PI-45882 [1,0,0,0,0,0|1,1,1]=4 35 B5R0.2 COCCCCl PI-38032 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 COCCCO PI-10094 [1,0,0,0,0,0|1,1,1]=4 37 B5R0.2 CSCCC=O PI-45744 [1,0,0,0,0,0|1,1,1]=4 38 B5R0.2 ClCCCC#C PI-20198 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 ClCCCC#N PI-38313 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 ClCCN=C=O PI-22789 [1,0,0,0,0,0|1,1,0]=3 41 B5R0.2 FCCCCBr PI-14440 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 NCCCCO PI-38298 [1,0,0,0,0,0|1,1,1]=4 43 B5R0.2 OCCCC#C PI-13238 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 OCCCC=C PI-13243 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 OCCCCBr PI-12762 [1,0,0,0,0,0|1,1,1]=4 46 B7R0.1 BrCCCCCC#N PI-21504 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.1 C(CCCBr)CCO PI-39099 [0,1,0,0,0,0|1,1,1]=4 48 B7R0.1 C(CCCCl)CCCl PI-44616 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.1 C(CCCS)CCO PI-40491 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.1 C(CCCS)CCS PI-35928 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.1 C=CCCCN=C=S PI-37124 [0,1,0,0,0,0|0,0,1]=2 52 B7R0.1 CCCCCCCBr PI-44628 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.1 CCCCCN=C=O PI-11407 [0,1,0,0,0,0|0,1,0]=2 54 B7R0.1 CCCCNCCN PI-15624 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.1 COCCCCCBr PI-50168 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 OCCCCCCCl PI-37141 [0,1,0,0,0,0|1,1,1]=4 57 B7R0.1 OCCCCCCN PI-40365 [0,1,0,0,0,0|1,1,1]=4 58 B7R0.1 OCCCCOC=C PI-12738 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 CCCCC(=O)NN PI-50263 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.4 CCCCCB(O)O PI-37261 [0,1,0,0,0,0|2,1,0]=4 61 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,1,0,0,0,0|1,1,1]=4 62 B7R0.4 CCCCNC(=S)N PI-23056 [0,1,0,0,0,0|0,0,2]=3 63 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.7 CCCC(CCC)N PI-15988 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.7 CCCC(S)CCO PI-37281 [0,1,0,0,0,0|1,1,1]=4 66 B7R0.7 CCOC(=O)N=C=S PI-36556 [0,1,0,0,0,0|1,0,1]=3 67 B7R1.1 C1CCC(C1)CO PI-44131 [0,0,0,1,0,0|1,1,1]=4 68 B7R1.1 C1CCC(C1)ON PI-47243 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 C1CCN(C1)N=O PI-47048 [0,0,0,1,0,0|1,1,1]=4 70 B7R1.1 CCN1CCCC1 PI-47092 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.1 NNC1CCCC1 PI-36366 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.1 NNC1CCCC1 PI-38997 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.3 C1CCN(CC1)N PI-34077 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.3 C1CCN(CC1)N PI-43331 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,0,0,1,0,0|0,1,2]=4 77 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,1,0,0|0,1,2]=4 80 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.3 CC1CCOCO1 PI-47110 [0,0,0,1,0,0|1,1,1]=4 82 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.3 O=C1CCCCO1 PI-37295 [0,0,0,1,0,0|1,1,1]=4 85 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|0,1,2]=4 86 B7R1.7 S=C=NCC1CC1 PI-20932 [0,0,0,1,0,0|0,0,0]=1 87 B4R0.2 C(CF)CF PI-21236 [2,0,0,0,0,0|2,0,0]=4 88 B4R0.2 C(CF)CI PI-41494 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.2 C(CN)CN PI-19035 [2,0,0,0,0,0|1,0,1]=4 90 B4R0.2 C(CN)CN PI-46906 [2,0,0,0,0,0|1,0,1]=4 91 B4R0.2 C(CN)CS PI-39174 [2,0,0,0,0,0|1,0,1]=4 92 B4R0.2 C(CO)CBr PI-15814 [2,0,0,0,0,0|1,1,0]=4 93 B4R0.2 C(CO)CI PI-50488 [2,0,0,0,0,0|1,1,0]=4 94 B4R0.2 C(CS)CS PI-11004 [2,0,0,0,0,0|1,0,1]=4 95 B4R0.2 CCCCCl PI-44613 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|0,0,2]=4 97 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.2 ClCCNC PI-41980 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.2 OCCCS PI-39546 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.1 CCC(C)N=C=S PI-22956 [1,1,0,0,0,0|0,0,0]=2 101 B6R0.1 CCCC(C=C)O PI-15324 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.1 CCCC(CC)Cl PI-46859 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.1 CCCC(CO)O PI-13556 [1,1,0,0,0,0|0,1,1]=4 104 B6R0.4 B(CCCC)(O)O PI-16470 [1,1,0,0,0,0|1,1,0]=4 105 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|0,1,1]=4 106 B6R0.4 CCCCC(C)O PI-42555 [1,1,0,0,0,0|0,1,1]=4 107 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,1,0,0,0,0|0,1,1]=4 108 B8R0.6 CCCCNC(=S)NN PI-23055 [0,2,0,0,0,0|0,0,2]=4 109 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.21 CCCCNP(=S)(N)N PI-41140 [0,2,0,0,0,0|1,0,1]=4 111 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,1,0,0|0,0,2]=4 114 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,1,0,0|0,0,2]=4 115 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,1,0,0|0,0,2]=4 116 B6R1.2 CN1CCCC1 PI-49852 [1,0,0,1,0,0|0,0,2]=4 117 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,1,0,0|0,0,2]=4 118 B6R1.2 NN1CCCC1 PI-14899 [1,0,0,1,0,0|1,0,1]=4 119 B6R1.3 C1CC1CCI PI-48331 [1,0,0,1,0,0|1,0,1]=4 120 B6R1.3 N#CCC1CC1 PI-13560 [1,0,0,1,0,0|1,0,1]=4 121 B6R1.3 OCCC1CC1 PI-17339 [1,0,0,1,0,0|0,1,1]=4 122 B6R1.6 BrCC1CCC1 PI-28204 [1,0,0,1,0,0|1,0,1]=4 123 B6R1.6 C1CC(C1)CO PI-28530 [1,0,0,1,0,0|0,1,1]=4 124 B6R1.6 NCC1CCC1 PI-42247 [1,0,0,1,0,0|1,0,1]=4 125 B6R1.6 O=CC1CCC1 PI-36863 [1,0,0,1,0,0|0,1,1]=4 126 B8R1.5 CC1=NCCCN1C PI-44800 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.5 CC1=NCCCN1C PI-44822 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.8 O=C=NC1CCCC1 PI-26670 [0,1,0,1,0,0|0,1,0]=3