0 B6R0.6 BrCCOCCBr SBB054744 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCC SBB067441 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C#CCCCCO SBB015110 [0,0,0,0,0,0|0,0,4]=4 3 B6R0.6 C#CCOCCO SBB067658 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.6 C=CCCCCC SBB059882 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 C=CCOCCO SBB060194 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.6 CCCCCC#N SBB060051 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.6 CCCCCCBr SBB059934 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.6 CCCCCCCl SBB059952 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.6 CCCCCCN SBB059984 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.6 CCCCCCO SBB059899 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.6 CCCCCOC SBB061300 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.6 CCCCSCC SBB061178 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 CCCNCCC SBB059762 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.6 CCCOCCO SBB061379 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.6 CCCSCCC SBB061017 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.6 CCCSCCO SBB058605 [0,0,0,0,0,0|1,0,1]=2 17 B6R0.6 CCC\C=C\C=O SBB067097 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.6 CCNCCC#N SBB006528 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 CCOCCC#N SBB067181 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 CCOCCCN SBB028180 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 CC\C=C/CCO SBB007739 [0,0,0,0,0,0|0,0,0]=0 22 B6R0.6 ClCCOCCCl SBB059969 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 NCCCCCN SBB079706 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.6 NCCNCCN SBB059776 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.6 NCCNCCO SBB028183 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 NCCOCCO SBB060906 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.6 NCCSCCO SBB056468 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.6 OCCNCCO SBB059779 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.6 OCCOCCCl SBB060189 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.6 OCCSCCO SBB060117 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.6 SCCOCCS SBB058846 [0,0,0,0,0,0|2,1,1]=4 32 B5R0.2 BrCCCCBr SBB060204 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 BrC\C=C\CBr SBB059946 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 C=COCCCl SBB061485 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 C=COCCN SBB072719 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 CC#CCCO SBB009118 [1,0,0,0,0,0|0,0,2]=3 37 B5R0.2 CCC#CCO SBB009120 [1,0,0,0,0,0|0,0,2]=3 38 B5R0.2 CCCCCBr SBB059933 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.2 CCCCCCl SBB059951 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.2 CCNNCC SBB069584 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CCOCCBr SBB008332 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 CCOCCCl SBB061015 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCOCCN SBB072161 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CCSCCN SBB017894 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 CNCCCN SBB059823 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CSCCCO SBB056451 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.2 ClC\C=C\CCl SBB060216 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 FCCCCBr SBB087044 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 NCCCCN SBB059998 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 OCCCCCl SBB002444 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.1 BrCCCCCCBr SBB060205 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.1 C=CCCCCCC SBB059884 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.1 CCCC#CCCO SBB008799 [0,1,0,0,0,0|0,0,2]=3 54 B7R0.1 CCCCC#CCO SBB008796 [0,1,0,0,0,0|0,0,3]=4 55 B7R0.1 CCCCCCC#N SBB060052 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.1 CCCCCCCBr SBB059936 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.1 CCCCCCCCl SBB059954 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.1 CCCCCCCN SBB059985 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.1 CCCCCCOC SBB061157 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.1 CCCCNCCC SBB059822 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.1 CCCCOCCBr SBB007731 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.1 CCCCOCCCl SBB059964 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.1 CCCCOCCO SBB059918 [0,1,0,0,0,0|0,0,2]=3 64 B7R0.1 CCCCSCCN SBB072659 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.1 CCCCSCCO SBB013616 [0,1,0,0,0,0|0,0,2]=3 66 B7R0.1 CCCCSCCS SBB057435 [0,1,0,0,0,0|0,1,2]=4 67 B7R0.1 CCCNCCC#N SBB059761 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.1 CCCOCCCN SBB056585 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.1 CCCSSCCC SBB058501 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.1 CCNCCCCO SBB052126 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.1 CCNCCNCC SBB072869 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.1 COCCOCCCl SBB059966 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.1 COCCOCCO SBB059920 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.1 COCCOCCS SBB061387 [0,1,0,0,0,0|1,1,1]=4 75 B7R0.1 COCCSCCO SBB061070 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.1 C\C=C\CCCCC SBB059885 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.1 ClCCCCCCCl SBB060213 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.1 N#CCCSCCO SBB069588 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.1 N#CC\C=C\CC#N SBB072379 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.1 NCCCCCCN SBB059999 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.1 NCCCNCCN SBB052120 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.1 NCCCNCCO SBB059810 [0,1,0,0,0,0|1,0,1]=3 83 B7R0.1 NCCSSCCN SBB003325 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.1 OCCCCCCBr SBB054752 [0,1,0,0,0,0|0,0,2]=3 85 B7R0.1 OCCCCCCCl SBB060188 [0,1,0,0,0,0|0,0,2]=3 86 B7R0.1 OCCCCCCN SBB006584 [0,1,0,0,0,0|0,0,2]=3 87 B7R0.1 OCCCCCCO SBB059915 [0,1,0,0,0,0|0,0,2]=3 88 B7R0.1 OCCCCCCS SBB058615 [0,1,0,0,0,0|0,0,2]=3 89 B7R0.3 C=C(CC)CCCC SBB060475 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.3 CCC(=O)OCCCl SBB060315 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.3 CCCCC(Cl)CCl SBB060394 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.3 CCCNC(=O)CCl SBB016586 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.3 CCCOC(=O)CCl SBB060962 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.3 CCCOC(=O)CS SBB061003 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.3 CCN(C)CCCO SBB046555 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.3 CCNCC(O)CC SBB072921 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.3 CCOCC(O)CN SBB017905 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.3 COC(=N)CCCCl SBB056505 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.3 COC(=O)\C=C\CBr SBB070730 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.3 NNC(=O)CCCO SBB028199 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.3 OC[C@H](CCSC)N SBB006701 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.4 CC(C)CCCCBr SBB008833 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.4 CC(C)OCCCN SBB061717 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.4 CC(Cl)COCCCl SBB056511 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.4 CCCCCC(=O)O SBB053586 [0,1,0,0,0,0|0,0,3]=4 107 B7R0.4 CCCOCC(C)O SBB061007 [0,1,0,0,0,0|1,0,1]=3 108 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,1,0,0,0,0|0,0,3]=4 109 B7R0.4 CCOCCC(=O)O SBB053607 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,1,0,0,0,0|0,0,3]=4 111 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,1,0,0,0,0|0,0,1]=2 112 B7R0.7 CCCC(=O)CCC SBB060386 [0,1,0,0,0,0|1,0,1]=3 113 B7R0.7 CCCC(N)CCC SBB018801 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.7 CCCC(O)CCC SBB061327 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.7 CCCN(C)CCC SBB061592 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.7 CCNC(=O)CC#N SBB000040 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.7 CCNC(=O)NCC SBB058550 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.7 CCNC(C)CCO SBB046562 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.7 CCOC(=O)CC#N SBB040821 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.7 CCOC(=O)CCBr SBB070739 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.7 CCOC(=O)CCN SBB004038 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.7 CCOC(=O)CNN SBB021976 [0,1,0,0,0,0|3,0,0]=4 123 B7R0.7 CCOC(=O)CNN SBB054137 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.7 CCOC(=O)OCC SBB060086 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.7 C\C=C\C(=O)OCC SBB061219 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.7 N(C)CC(=O)OCC SBB004039 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.7 O=C(NCO)NCO SBB071713 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.1 BrCC1CCCC1 SBB054968 [0,0,0,1,0,0|1,0,2]=4 129 B7R1.1 BrCC1CCCO1 SBB003909 [0,0,0,1,0,0|1,0,2]=4 130 B7R1.1 BrCC1OCCO1 SBB070708 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.1 CSC1=NCCN1 SBB055871 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.1 ClCC1=CC=NO1 SBB013787 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.1 ClCC1CCCN1 SBB018633 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.1 ClCC1CCCO1 SBB008957 [0,0,0,1,0,0|1,0,2]=4 135 B7R1.1 N#CC1=CCCC1 SBB007727 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.1 N1CCN=C1SC SBB037853 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.1 NCC1=CC=CO1 SBB004376 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.1 NCC1CCCO1 SBB028168 [0,0,0,1,0,0|1,0,2]=4 139 B7R1.1 OCC1=CC=CO1 SBB004373 [0,0,0,1,0,0|1,0,2]=4 140 B7R1.1 OCC1=CC=CS1 SBB058563 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.1 OCC1=CC=NN1 SBB014141 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.1 OCC1=CSC=C1 SBB004309 [0,0,0,1,0,0|1,0,2]=4 143 B7R1.1 OCC1CCCC1 SBB008516 [0,0,0,1,0,0|0,0,2]=3 144 B7R1.1 OCC1CCCO1 SBB058567 [0,0,0,1,0,0|1,0,1]=3 145 B7R1.1 OCC1CCNC1 SBB046413 [0,0,0,1,0,0|1,0,1]=3 146 B7R1.1 OCC1OCCO1 SBB059646 [0,0,0,1,0,0|2,0,1]=4 147 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,0,0,1,0,0|1,0,1]=3 148 B7R1.1 SCC1=CC=CO1 SBB004308 [0,0,0,1,0,0|1,0,2]=4 149 B7R1.3 BrC1C=CCCC1 SBB007864 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.3 BrC1CCNCC1 SBB054613 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,0,1,0,0|1,0,0]=2 153 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.3 CC1SCCCS1 SBB056211 [0,0,0,1,0,0|1,1,1]=4 155 B7R1.3 ClC1CCOCC1 SBB070678 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.3 FC1CCNCC1 SBB070685 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.3 N1CCC(C)CC1 SBB027302 [0,0,0,1,0,0|2,0,1]=4 159 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,1,0,0|1,0,1]=3 161 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,1,0,0|1,0,2]=4 162 B7R1.3 N1CCNC(C)C1 SBB027299 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 NC1CCNCC1 SBB028166 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 NC1CCOCC1 SBB014873 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 NC1CCOCC1 SBB069906 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,1,0,0|0,0,2]=3 173 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,1,0,0|1,0,1]=3 175 B7R1.3 OC1CCNCC1 SBB027346 [0,0,0,1,0,0|1,0,1]=3 176 B7R1.3 OC1CCOCC1 SBB055945 [0,0,0,1,0,0|1,0,1]=3 177 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.4 OC1CCCC1Cl SBB060196 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.7 CCCCC1CO1 SBB017137 [0,0,0,1,0,0|0,0,2]=3 181 B7R1.24 C1=CCCCCC1 SBB059889 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.24 C1CCCCCC1 SBB060406 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.24 C1CNCCNC1 SBB004367 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.24 C1CNCCOC1 SBB049498 [0,0,0,1,0,0|1,0,1]=3 185 B7R1.24 N1CCCCCC1 SBB027297 [0,0,0,1,0,0|1,0,2]=4 186 B4R0.2 BrCCCBr SBB060203 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.2 CCCCBr SBB059930 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.2 CNCCI SBB071605 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.2 COCCBr SBB007906 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.2 C\C=C\CC SBB059879 [2,0,0,0,0,0|0,0,0]=2 191 B4R0.2 ClCCCBr SBB058669 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.2 ClCCCCl SBB040918 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.2 Cl\C=C/CCl SBB061393 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.2 OCCCBr SBB054750 [2,0,0,0,0,0|1,0,0]=3 195 B4R0.2 [NH2+](CC)CC SBB059849 [2,0,0,0,0,0|1,0,0]=3 196 B6R0.1 CCCC(=O)CC SBB061496 [1,1,0,0,0,0|0,0,1]=3 197 B6R0.1 CCCC(=O)OC SBB061104 [1,1,0,0,0,0|1,0,1]=4 198 B6R0.1 CCCC(C)CO SBB061282 [1,1,0,0,0,0|0,0,1]=3 199 B6R0.1 CCCC(O)CC SBB061363 [1,1,0,0,0,0|0,0,2]=4 200 B6R0.1 CCC\C(N)=N/O SBB028173 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.1 CCNC(=O)CBr SBB051008 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.1 CCNC(=O)CCl SBB008200 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.1 CCNC(C)CO SBB046531 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.1 CCOC(=O)CBr SBB060995 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.1 CCOC(=O)CC SBB060312 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.1 CNC(C)CCO SBB046542 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.1 COC(=O)CCBr SBB070709 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.1 COC(=O)CCN SBB071679 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,1,0,0,0,0|1,0,1]=4 210 B6R0.1 OCNC(=O)CCl SBB004273 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.4 CC(=O)NCCCl SBB008165 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.4 CC(=O)NCCN SBB028176 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.4 CC(=O)NCCO SBB007954 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.4 CC(=O)OCCCl SBB058505 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.4 CC(C)NCCN SBB048119 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.4 CC(C)NCCO SBB056428 [1,1,0,0,0,0|1,0,0]=3 218 B6R0.4 CC(C)OCCN SBB301616 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.4 CCC#CC(C)O SBB067141 [1,1,0,0,0,0|0,0,2]=4 220 B6R0.4 CCCCC(=O)O SBB053585 [1,1,0,0,0,0|0,0,2]=4 221 B6R0.4 CCCCC(C)=O SBB061262 [1,1,0,0,0,0|1,0,1]=4 222 B6R0.4 CCCCC(C)O SBB061290 [1,1,0,0,0,0|0,0,1]=3 223 B6R0.4 CCCOC(C)=O SBB060305 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.4 CCOCC(=O)O SBB069120 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.4 CCOCC(C)O SBB061006 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.4 CCSCC(=O)O SBB047288 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,1,0,0,0,0|0,0,1]=3 228 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.1 CCCCC(=O)OCC SBB061113 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.1 CCCCS(=O)CCO SBB019077 [0,2,0,0,0,0|0,0,2]=4 231 B8R0.1 CCCOC(=O)CCC SBB061105 [0,2,0,0,0,0|1,0,1]=4 232 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.1 CCOC(=O)CCCN SBB003878 [0,2,0,0,0,0|1,0,1]=4 234 B8R0.1 CCOC(=O)NCCO SBB079074 [0,2,0,0,0,0|1,0,0]=3 235 B8R0.1 CCOC(=O)\C=C\CBr SBB070755 [0,2,0,0,0,0|1,0,1]=4 236 B8R0.1 N#CCC(=O)NCCO SBB049444 [0,2,0,0,0,0|1,0,1]=4 237 B8R0.1 O=C(CCS)OCCO SBB008479 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.4 C#CCCCCCCO SBB062745 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.4 CCCCC#CCCO SBB009106 [0,2,0,0,0,0|0,0,2]=4 240 B8R0.4 CCCCCC#CCO SBB009105 [0,2,0,0,0,0|0,0,2]=4 241 B8R0.4 CCCCCCCCO SBB059902 [0,2,0,0,0,0|0,0,2]=4 242 B8R0.4 CCCCCCOC=O SBB060302 [0,2,0,0,0,0|0,0,2]=4 243 B8R0.4 CCCCCNCCO SBB059826 [0,2,0,0,0,0|0,0,2]=4 244 B8R0.4 CCCCNCCOC SBB056732 [0,2,0,0,0,0|0,0,2]=4 245 B8R0.4 CCOCCOCCO SBB060178 [0,2,0,0,0,0|0,0,2]=4 246 B8R0.4 CCSCCOCCO SBB061065 [0,2,0,0,0,0|0,0,2]=4 247 B8R0.4 COCCNCCOC SBB059845 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.4 COCCOCCCN SBB061669 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.4 OCCCCCCCBr SBB061558 [0,2,0,0,0,0|0,0,2]=4 250 B8R0.6 C#CC(O)CCCCC SBB009107 [0,2,0,0,0,0|0,0,2]=4 251 B8R0.6 CCCCCC(=O)CC SBB060388 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.6 CCCCCC(O)CC SBB059904 [0,2,0,0,0,0|0,0,2]=4 253 B8R0.6 CCCCOC(=O)CC SBB060578 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.6 COCCNC(=O)CCl SBB038704 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.6 OCCCCC(O)CO SBB061014 [0,2,0,0,0,0|0,0,2]=4 256 B8R0.6 OCCOCC(O)CCl SBB061082 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.7 CC(C)CNCCCO SBB301242 [0,2,0,0,0,0|0,0,2]=4 258 B8R0.7 CCCCCCC(=O)O SBB053587 [0,2,0,0,0,0|0,0,2]=4 259 B8R0.7 CCCCCCC(C)O SBB059903 [0,2,0,0,0,0|0,0,2]=4 260 B8R0.7 CCCCNCC(C)O SBB059782 [0,2,0,0,0,0|0,0,2]=4 261 B8R0.7 CN(C)CCOCCO SBB056528 [0,2,0,0,0,0|1,0,1]=4 262 B8R0.3 CCOC(=O)C(=O)CC SBB108891 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.3 CCOC(=O)C(Br)CC SBB070758 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.3 CCOC(=O)C(N)CC SBB072718 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.3 CCOC(=O)[C@@H](N)CS SBB065777 [0,2,0,0,0,0|1,1,0]=4 266 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,2,0,0,0,0|1,0,0]=3 267 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,2,0,0,0,0|0,0,2]=4 269 B8R0.9 CCC(=O)OCC(C)C SBB060974 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,2,0,0,0,0|1,0,0]=3 271 B8R0.11 CCCCC(CC)CO SBB059906 [0,2,0,0,0,0|0,0,2]=4 272 B8R0.11 CCCCC(CO)CO SBB059212 [0,2,0,0,0,0|0,0,2]=4 273 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.25 CCC(C)(C)OCCO SBB061089 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.5 CCCC(=O)OC(C)C SBB061106 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.5 CCOC(=O)CC(=O)O SBB066094 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.5 CCOC(=O)CC(C)C SBB061114 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.5 CCOC(=O)CC(C)N SBB108871 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.28 CC(C)=CCCC(C)O SBB008067 [0,2,0,0,0,0|0,0,2]=4 280 B8R0.28 CC(C)COCC(C)O SBB061009 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.28 CC(O)CNCC(C)O SBB058768 [0,2,0,0,0,0|1,0,1]=4 282 B6R1.1 C1=COCCC1 SBB060381 [1,0,0,1,0,0|1,0,0]=3 283 B6R1.1 C1CSCCN1 SBB056209 [1,0,0,1,0,0|1,1,0]=4 284 B6R1.1 C1CSCCO1 SBB060674 [1,0,0,1,0,0|1,0,0]=3 285 B6R1.2 BrC1CCCC1 SBB040823 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.2 CC1=NCCN1 SBB040067 [1,0,0,1,0,0|2,0,0]=4 287 B6R1.2 F[C@H]1CCNC1 SBB085616 [1,0,0,1,0,0|2,0,0]=4 288 B6R1.2 N1CCC(N)C1 SBB027337 [1,0,0,1,0,0|2,0,0]=4 289 B6R1.2 NC1CCCC1 SBB040467 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.2 NC1CCNC1 SBB003982 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.2 O=C1C=CCO1 SBB040281 [1,0,0,1,0,0|1,0,1]=4 292 B6R1.2 OC1CCNC1 SBB056152 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.2 O[C@H]1CCNC1 SBB004272 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.2 O[C@H]1CCNC1 SBB027336 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.2 O[C@H]1CCOC1 SBB062959 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.6 BrCC1CCC1 SBB054975 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.6 NCC1CCC1 SBB108847 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.2 BrCC1CCCCO1 SBB054944 [0,1,0,1,0,0|0,0,2]=4 299 B8R1.2 C1(CCl)OCCCO1 SBB085954 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,1,0,1,0,0|1,0,0]=3 301 B8R1.2 COC1C=CCCC1 SBB060461 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.2 COC1CCNCC1 SBB019028 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.2 ClCC1CCCCO1 SBB040653 [0,1,0,1,0,0|0,0,2]=4 304 B8R1.2 ClCC1COCCO1 SBB046611 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.2 N#CC1CC=CCC1 SBB007998 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.2 NCC1CCCCO1 SBB085471 [0,1,0,1,0,0|0,0,2]=4 307 B8R1.2 NCC1COCCO1 SBB014104 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,1,0,1,0,0|0,0,1]=3 310 B8R1.2 OCC1CC=CCC1 SBB054865 [0,1,0,1,0,0|0,0,0]=2 311 B8R1.2 OCC1CCCCC1 SBB061328 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.2 OCC1CCCCN1 SBB058544 [0,1,0,1,0,0|0,0,2]=4 313 B8R1.2 OCC1CCCCO1 SBB008943 [0,1,0,1,0,0|0,0,2]=4 314 B8R1.2 OCC1CCCOC1 SBB014200 [0,1,0,1,0,0|0,0,2]=4 315 B8R1.2 OCC1CCNCC1 SBB054833 [0,1,0,1,0,0|0,0,2]=4 316 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.5 CC1CNCCC1O SBB300760 [0,1,0,1,0,0|0,0,2]=4 318 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.5 CC1SCCNC1=O SBB111924 [0,1,0,1,0,0|1,1,0]=4 320 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,1,0,1,0,0|0,0,2]=4 321 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,1,0,1,0,0|0,0,2]=4 322 B8R1.8 BrCCC1OCCO1 SBB070738 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.8 CCCC1OCCO1 SBB060981 [0,1,0,1,0,0|0,0,2]=4 324 B8R1.8 CCCC1OCCS1 SBB056724 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.8 CNCC1=CC=CO1 SBB079004 [0,1,0,1,0,0|0,0,2]=4 326 B8R1.8 COC[C@@H]1CCCN1 SBB006442 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.8 NCCC1=CC=CO1 SBB013333 [0,1,0,1,0,0|0,0,2]=4 328 B8R1.8 OCCC1=CC=CS1 SBB062831 [0,1,0,1,0,0|0,0,2]=4 329 B8R1.8 OCCC1=CNN=C1 SBB020248 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.8 OCCC1CCCC1 SBB008459 [0,1,0,1,0,0|0,0,2]=4 331 B8R1.8 OCCN1C=CC=N1 SBB022466 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.8 OCCN1C=CN=C1 SBB059127 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.8 OCCN1CCCC1 SBB060257 [0,1,0,1,0,0|0,0,2]=4 334 B8R1.8 OCCN1CCOC1 SBB008304 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.11 CC1=C(CO)C=CO1 SBB054803 [0,1,0,1,0,0|0,0,2]=4 336 B8R1.11 CN1C=CN=C1CO SBB054819 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.11 CN1CCCC1CO SBB108833 [0,1,0,1,0,0|0,0,2]=4 338 B8R1.11 CN1N=CC=C1CO SBB024002 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.22 O=C1CCCCCC1 SBB060075 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.22 O=C1CCCCCN1 SBB058658 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.22 O=C1CCNCCN1 SBB056241 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.22 OC1CCCCCC1 SBB061138 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.49 C1=CCCC=CCC1 SBB059891 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.49 C1=CCCCCCC1 SBB059890 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.1 CN1C=CC(CO)=N1 SBB073640 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 SBB054869 [0,1,0,1,0,0|0,0,0]=2 347 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.1 OCC1CC(O)CN1 SBB014445 [0,1,0,1,0,0|1,0,1]=4 350 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,1,0,1,0,0|0,0,2]=4 353 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,1,0,0|0,0,1]=3 354 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [0,1,0,1,0,0|0,0,2]=4 355 B8R1.3 OC1CCN(C)CC1 SBB004301 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,1,0,1,0,0|0,0,2]=4 358 B8R1.4 CC1CNCC(C)O1 SBB040955 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [0,1,0,1,0,0|0,0,2]=4 360 B8R1.7 CC(N)C1CCCO1 SBB020137 [0,1,0,1,0,0|0,0,2]=4 361 B8R1.7 O=C(O)C1C=CCN1 SBB053088 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,1,0,1,0,0|0,0,2]=4 363 B8R1.72 OC1(O)CCNCC1 SBB004037 [0,1,0,1,0,0|1,0,1]=4 364 B8R2.34 C1OC2CNC1C2 SBB017544 [0,0,0,2,0,0|1,0,1]=4 365 B8R2.25 C1CCC2OC2C1 SBB061377 [0,0,0,2,0,0|0,0,2]=4