0 B6R1.2 BrC1CCCC1 SBB040823 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.2 CC1=NCCN1 SBB040067 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 F[C@H]1CCNC1 SBB085616 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 N1CCC(N)C1 SBB027337 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 NC1=CCNN1 SBB023708 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 NC1=NCCN1 SBB300496 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 NC1=NCCS1 SBB004361 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 NC1CCCC1 SBB040467 [0,0,0,0,0,0|1,0,1]=2 8 B6R1.2 NC1CCNC1 SBB003982 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 NN1CCCC1 SBB066760 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 O=C1C=CCO1 SBB040281 [0,0,0,0,0,0|1,0,2]=3 11 B6R1.2 O=C1CCCC1 SBB040835 [0,0,0,0,0,0|0,0,0]=0 12 B6R1.2 O=C1CCCN1 SBB060296 [0,0,0,0,0,0|1,0,0]=1 13 B6R1.2 O=C1CCNN1 SBB007977 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 O=C1CCSC1 SBB007947 [0,0,0,0,0,0|1,0,0]=1 15 B6R1.2 O=C1NC=CN1 SBB071638 [0,0,0,0,0,0|2,0,2]=4 16 B6R1.2 O=C1NC=NN1 SBB116064 [0,0,0,0,0,0|3,0,1]=4 17 B6R1.2 OC1=NNCC1 SBB047550 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 OC1CCNC1 SBB056152 [0,0,0,0,0,0|1,0,2]=3 19 B6R1.2 O[C@H]1CCNC1 SBB004272 [0,0,0,0,0,0|1,0,2]=3 20 B6R1.2 O[C@H]1CCNC1 SBB027336 [0,0,0,0,0,0|1,0,2]=3 21 B6R1.2 O[C@H]1CCOC1 SBB062959 [0,0,0,0,0,0|1,0,2]=3 22 B6R1.2 S=C1NCCN1 SBB004362 [0,0,0,0,0,0|2,1,0]=3 23 B6R1.2 SC1=NCCS1 SBB004290 [0,0,0,0,0,0|2,1,0]=3 24 B5R1.1 C1CSCN1 SBB111928 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 BrCC1CCCC1 SBB054968 [0,1,0,0,0,0|1,0,1]=3 26 B7R1.1 BrCC1CCCO1 SBB003909 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 CSC1=NCCN1 SBB055871 [0,1,0,0,0,0|2,1,0]=4 28 B7R1.1 ClCC1CCCN1 SBB018633 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.1 ClCC1CCCO1 SBB008957 [0,1,0,0,0,0|2,0,1]=4 30 B7R1.1 N#CC1=CCCC1 SBB007727 [0,1,0,0,0,0|1,0,1]=3 31 B7R1.1 N#CC1CCCC1 SBB008886 [0,1,0,0,0,0|1,0,1]=3 32 B7R1.1 N#CN1CCCC1 SBB059310 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.1 N1CCN=C1SC SBB037853 [0,1,0,0,0,0|2,1,0]=4 34 B7R1.1 NCC1CCCO1 SBB028168 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 NN=C1NCCN1 SBB000223 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.1 NNC1=NCCN1 SBB028391 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 NNC1CCCC1 SBB301621 [0,1,0,0,0,0|1,0,1]=3 38 B7R1.1 O=CC1CCCC1 SBB069481 [0,1,0,0,0,0|0,0,1]=2 39 B7R1.1 O=CC1CCOC1 SBB052278 [0,1,0,0,0,0|1,0,1]=3 40 B7R1.1 OCC1CCCC1 SBB008516 [0,1,0,0,0,0|0,0,2]=3 41 B7R1.1 OCC1CCCO1 SBB058567 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.1 OCC1CCNC1 SBB046413 [0,1,0,0,0,0|1,0,2]=4 43 B7R1.1 OC[C@H]1CCCN1 SBB027252 [0,1,0,0,0,0|1,0,2]=4 44 B7R1.1 ON=C1CCCC1 SBB060393 [0,1,0,0,0,0|0,0,1]=2 45 B7R1.2 CC1CNC(=S)N1 SBB055856 [0,1,0,0,0,0|2,1,0]=4 46 B7R1.2 N1N=C(C)CC1=O SBB004372 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.2 N=C1/SCC(=O)N1 SBB004297 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.2 NC1=NC(=O)CS1 SBB051924 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.2 O=C1C=C(O)CO1 SBB056227 [0,1,0,0,0,0|1,0,2]=4 50 B7R1.2 O=C1CCC(=O)N1 SBB040866 [0,1,0,0,0,0|1,0,1]=3 51 B7R1.2 O=C1CCC(=O)O1 SBB040819 [0,1,0,0,0,0|1,0,1]=3 52 B7R1.2 O=C1CNC(=S)N1 SBB056249 [0,1,0,0,0,0|2,0,1]=4 53 B7R1.2 O=C1CNC(=S)S1 SBB035894 [0,1,0,0,0,0|2,0,1]=4 54 B7R1.2 O=C1COC(=O)C1 SBB008561 [0,1,0,0,0,0|1,0,1]=3 55 B7R1.2 O=C1CSC(=O)N1 SBB000047 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.2 O=C1CSC(=S)N1 SBB000066 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.2 O=C1CSC(S)=N1 SBB042652 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.2 O=C1C[C@H](O)CO1 SBB055783 [0,1,0,0,0,0|1,0,0]=2 59 B7R1.2 O=C1NCC(=S)N1 SBB076199 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.4 BrC1CCCC1Br SBB060684 [0,1,0,0,0,0|1,0,1]=3 61 B7R1.4 CN1CCCC1=O SBB060297 [0,1,0,0,0,0|1,0,0]=2 62 B7R1.4 ClC1CCCC1Cl SBB060212 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.4 NC1CCOC1=O SBB004366 [0,1,0,0,0,0|1,0,0]=2 64 B7R1.4 NC1CCOC1=O SBB057192 [0,1,0,0,0,0|1,0,0]=2 65 B7R1.4 NC1CCSC1=O SBB004035 [0,1,0,0,0,0|1,0,0]=2 66 B7R1.4 N[C@@H]1CSC[C@H]1O SBB014689 [0,1,0,0,0,0|1,0,2]=4 67 B7R1.4 N[C@H]1CONC1=O SBB006706 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.4 O=C1OCCC1Br SBB083094 [0,1,0,0,0,0|1,0,0]=2 69 B7R1.4 OC1CCCC1Cl SBB060196 [0,1,0,0,0,0|0,0,2]=3 70 B7R1.4 O[C@H]1CCC[C@H]1O SBB008502 [0,1,0,0,0,0|0,0,2]=3 71 B7R1.14 FC1(F)CCNC1 SBB086302 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.14 O=S1(=O)C=CCC1 SBB014528 [0,1,0,0,0,0|1,0,2]=4 73 B7R1.14 O=S1(=O)CC=CC1 SBB040827 [0,1,0,0,0,0|1,0,2]=4 74 B7R1.14 O=S1(=O)CCCC1 SBB057389 [0,1,0,0,0,0|1,0,0]=2 75 B5R0.1 C#CCC(=O)O SBB116169 [0,0,1,0,0,0|1,0,2]=4 76 B5R0.1 CC(=O)CC#N SBB014113 [0,0,1,0,0,0|1,0,1]=3 77 B5R0.1 CC(=O)N=S=O SBB059583 [0,0,1,0,0,0|3,0,0]=4 78 B5R0.1 CC(C)=CCBr SBB061690 [0,0,1,0,0,0|2,0,1]=4 79 B5R0.1 CC(C)CCBr SBB061181 [0,0,1,0,0,0|2,0,1]=4 80 B5R0.1 CC(C)CCO SBB060162 [0,0,1,0,0,0|2,0,1]=4 81 B5R0.1 CCCC(=O)Cl SBB040624 [0,0,1,0,0,0|1,0,0]=2 82 B5R0.1 CCOC(=O)Cl SBB040861 [0,0,1,0,0,0|2,0,0]=3 83 B5R0.1 CN(C)CCBr SBB073020 [0,0,1,0,0,0|3,0,0]=4 84 B5R0.1 CN(C)CCN SBB007533 [0,0,1,0,0,0|3,0,0]=4 85 B5R0.1 COCC(=O)O SBB061376 [0,0,1,0,0,0|2,0,0]=3 86 B5R0.1 CS(=O)CCN SBB050811 [0,0,1,0,0,0|2,0,0]=3 87 B5R0.1 CSCC(=O)O SBB053570 [0,0,1,0,0,0|2,0,0]=3 88 B5R0.1 C\C(Cl)=C\CN SBB301293 [0,0,1,0,0,0|2,0,1]=4 89 B5R0.1 N#CCC(N)=O SBB007540 [0,0,1,0,0,0|2,0,1]=4 90 B5R0.1 O=C(O)CCBr SBB065770 [0,0,1,0,0,0|2,0,0]=3 91 B5R0.1 O=C(O)CCCl SBB069140 [0,0,1,0,0,0|2,0,0]=3 92 B5R0.1 [NH+](C)(C)CCCl SBB057087 [0,0,1,0,0,0|3,0,0]=4 93 B5R0.2 BrCCCCBr SBB060204 [0,0,1,0,0,0|2,0,1]=4 94 B5R0.2 C=COCCCl SBB061485 [0,0,1,0,0,0|3,0,0]=4 95 B5R0.2 C=COCCN SBB072719 [0,0,1,0,0,0|3,0,0]=4 96 B5R0.2 CCCCCBr SBB059933 [0,0,1,0,0,0|1,0,1]=3 97 B5R0.2 CCCCCCl SBB059951 [0,0,1,0,0,0|1,0,1]=3 98 B5R0.2 CCCN=C=S SBB060984 [0,0,1,0,0,0|1,1,1]=4 99 B5R0.2 CCOCCBr SBB008332 [0,0,1,0,0,0|2,0,1]=4 100 B5R0.2 CCOCCCl SBB061015 [0,0,1,0,0,0|2,0,1]=4 101 B5R0.2 CCOCCN SBB072161 [0,0,1,0,0,0|2,0,1]=4 102 B5R0.2 CCSCCN SBB017894 [0,0,1,0,0,0|2,0,1]=4 103 B5R0.2 CNCCCN SBB059823 [0,0,1,0,0,0|2,0,1]=4 104 B5R0.2 CSCCCO SBB056451 [0,0,1,0,0,0|1,0,2]=4 105 B5R0.2 FCCCCBr SBB087044 [0,0,1,0,0,0|2,0,1]=4 106 B5R0.2 N#CCCCBr SBB054746 [0,0,1,0,0,0|2,0,1]=4 107 B5R0.2 N#CCCCCl SBB061739 [0,0,1,0,0,0|2,0,1]=4 108 B5R0.2 NCCCCN SBB059998 [0,0,1,0,0,0|2,0,1]=4 109 B5R0.2 O=C=NCCCl SBB054898 [0,0,1,0,0,0|2,0,1]=4 110 B5R0.2 OCCCCCl SBB002444 [0,0,1,0,0,0|1,0,2]=4 111 B5R0.3 C#CC(=O)OC SBB049642 [0,0,1,0,0,0|1,0,2]=4 112 B5R0.3 C=C(CCl)CCl SBB061694 [0,0,1,0,0,0|3,0,0]=4 113 B5R0.3 CCC(=O)NN SBB021112 [0,0,1,0,0,0|2,0,0]=3 114 B5R0.3 CCC(C)CBr SBB007669 [0,0,1,0,0,0|2,0,1]=4 115 B5R0.3 CCC(Cl)CCl SBB060453 [0,0,1,0,0,0|2,0,1]=4 116 B5R0.3 CCC(N)CC SBB000050 [0,0,1,0,0,0|1,0,1]=3 117 B5R0.3 CCC(N)CC SBB071911 [0,0,1,0,0,0|1,0,1]=3 118 B5R0.3 CC\C(N)=N\O SBB024198 [0,0,1,0,0,0|3,0,0]=4 119 B5R0.3 CNC(=O)CBr SBB080576 [0,0,1,0,0,0|2,0,0]=3 120 B5R0.3 CNC(=O)CCl SBB049936 [0,0,1,0,0,0|2,0,0]=3 121 B5R0.3 CNC(=S)NC SBB060411 [0,0,1,0,0,0|2,1,0]=4 122 B5R0.3 COC(=O)CBr SBB056823 [0,0,1,0,0,0|2,0,0]=3 123 B5R0.3 COC(=O)CCl SBB040686 [0,0,1,0,0,0|2,0,0]=3 124 B5R0.3 COC(=O)NN SBB061728 [0,0,1,0,0,0|3,0,0]=4 125 B5R0.3 NNC(=O)CO SBB111858 [0,0,1,0,0,0|3,0,0]=4 126 B5R0.3 P(=O)(OC)OC SBB060964 [0,0,1,0,0,0|3,0,0]=4 127 B5R1.2 OC1CNC1 SBB056270 [0,0,0,0,1,0|1,0,2]=4 128 B7R1.3 BrC1C=CCCC1 SBB007864 [0,0,0,0,0,1|1,0,2]=4 129 B7R1.3 BrC1CCCCC1 SBB059944 [0,0,0,0,0,1|1,0,1]=3 130 B7R1.3 BrC1CCNCC1 SBB054613 [0,0,0,0,0,1|1,0,1]=3 131 B7R1.3 CC1CC=CCC1 SBB060473 [0,0,0,0,0,1|1,0,2]=4 132 B7R1.3 CC1CCCCC1 SBB061163 [0,0,0,0,0,1|1,0,1]=3 133 B7R1.3 CC1SCCCS1 SBB056211 [0,0,0,0,0,1|2,0,1]=4 134 B7R1.3 CN1CCCCC1 SBB060237 [0,0,0,0,0,1|2,0,0]=3 135 B7R1.3 CN1CCOCC1 SBB061013 [0,0,0,0,0,1|2,0,0]=3 136 B7R1.3 ClC1CCOCC1 SBB070678 [0,0,0,0,0,1|1,0,1]=3 137 B7R1.3 FC1CCCNC1 SBB070684 [0,0,0,0,0,1|1,0,1]=3 138 B7R1.3 FC1CCNCC1 SBB070685 [0,0,0,0,0,1|1,0,1]=3 139 B7R1.3 N1CCC(C)CC1 SBB027302 [0,0,0,0,0,1|1,0,1]=3 140 B7R1.3 N1CCCC(C)C1 SBB027301 [0,0,0,0,0,1|1,0,1]=3 141 B7R1.3 N1CCCC(O)C1 SBB004193 [0,0,0,0,0,1|0,0,2]=3 142 B7R1.3 N1CCCCC1C SBB027300 [0,0,0,0,0,1|1,0,1]=3 143 B7R1.3 N1CCN(C)CC1 SBB027304 [0,0,0,0,0,1|2,0,0]=3 144 B7R1.3 N1CCNC(C)C1 SBB027299 [0,0,0,0,0,1|2,0,1]=4 145 B7R1.3 NC1CCCCC1 SBB040492 [0,0,0,0,0,1|1,0,1]=3 146 B7R1.3 NC1CCCNC1 SBB052004 [0,0,0,0,0,1|1,0,1]=3 147 B7R1.3 NC1CCCOC1 SBB012974 [0,0,0,0,0,1|1,0,1]=3 148 B7R1.3 NC1CCNCC1 SBB028166 [0,0,0,0,0,1|1,0,1]=3 149 B7R1.3 NC1CCOCC1 SBB014873 [0,0,0,0,0,1|1,0,1]=3 150 B7R1.3 NC1CCOCC1 SBB069906 [0,0,0,0,0,1|1,0,1]=3 151 B7R1.3 NN1CCCCC1 SBB067336 [0,0,0,0,0,1|2,0,0]=3 152 B7R1.3 NN1CCOCC1 SBB004363 [0,0,0,0,0,1|2,0,0]=3 153 B7R1.3 N[C@@H]1CCCNC1 SBB069744 [0,0,0,0,0,1|1,0,1]=3 154 B7R1.3 N[C@H]1CCCNC1 SBB017596 [0,0,0,0,0,1|1,0,1]=3 155 B7R1.3 O=C1C=CCCC1 SBB008209 [0,0,0,0,0,1|0,0,1]=2 156 B7R1.3 O=C1CCCCC1 SBB060074 [0,0,0,0,0,1|0,0,0]=1 157 B7R1.3 O=C1CCCCO1 SBB060349 [0,0,0,0,0,1|0,0,0]=1 158 B7R1.3 O=C1CCOCC1 SBB049627 [0,0,0,0,0,1|0,0,0]=1 159 B7R1.3 O=C1CCSCC1 SBB048121 [0,0,0,0,0,1|0,0,0]=1 160 B7R1.3 O=C1CNCCN1 SBB000034 [0,0,0,0,0,1|1,0,0]=2 161 B7R1.3 OC1CCCCC1 SBB060483 [0,0,0,0,0,1|0,0,2]=3 162 B7R1.3 OC1CCCCO1 SBB055947 [0,0,0,0,0,1|0,0,2]=3 163 B7R1.3 OC1CCCNC1 SBB027351 [0,0,0,0,0,1|0,0,2]=3 164 B7R1.3 OC1CCNCC1 SBB027346 [0,0,0,0,0,1|0,0,2]=3 165 B7R1.3 OC1CCOCC1 SBB055945 [0,0,0,0,0,1|0,0,2]=3 166 B7R1.3 S=C1NCCCN1 SBB017542 [0,0,0,0,0,1|1,1,0]=3 167 B7R1.3 S=C1NCCCS1 SBB085843 [0,0,0,0,0,1|1,1,0]=3 168 B7R1.3 SC1=NCCCN1 SBB039536 [0,0,0,0,0,1|1,1,0]=3 169 B4R0.1 CCC(C)Br SBB059931 [1,0,1,0,0,0|1,0,1]=4 170 B4R0.1 CCN(C)N SBB107453 [1,0,1,0,0,0|2,0,0]=4 171 B4R0.1 NCC(=O)O SBB071447 [1,0,1,0,0,0|2,0,0]=4 172 B4R0.1 NCC(=O)[O-] SBB116671 [1,0,1,0,0,0|2,0,0]=4 173 B4R0.1 O=C(Br)CBr SBB040828 [1,0,1,0,0,0|2,0,0]=4 174 B4R0.1 O=C(Cl)CBr SBB051682 [1,0,1,0,0,0|2,0,0]=4 175 B4R0.1 O=C(Cl)CCl SBB040859 [1,0,1,0,0,0|2,0,0]=4 176 B4R0.1 O=C(O)CBr SBB053569 [1,0,1,0,0,0|2,0,0]=4 177 B4R0.2 BrCCCBr SBB060203 [1,0,1,0,0,0|2,0,0]=4 178 B4R0.2 CCCCBr SBB059930 [1,0,1,0,0,0|1,0,0]=3 179 B4R0.2 CNCCI SBB071605 [1,0,1,0,0,0|2,0,0]=4 180 B4R0.2 COCCBr SBB007906 [1,0,1,0,0,0|2,0,0]=4 181 B4R0.2 C\C=C\CC SBB059879 [1,0,1,0,0,0|0,0,1]=3 182 B4R0.2 ClCCCBr SBB058669 [1,0,1,0,0,0|2,0,0]=4 183 B4R0.2 ClCCCCl SBB040918 [1,0,1,0,0,0|2,0,0]=4 184 B4R0.2 OCCCBr SBB054750 [1,0,1,0,0,0|1,0,1]=4 185 B4R0.2 [NH2+](CC)CC SBB059849 [1,0,1,0,0,0|1,0,0]=3 186 B6R0.1 C#CC(=O)OCC SBB060344 [0,1,1,0,0,0|1,0,1]=4 187 B6R0.1 C=CC(=O)OCC SBB060348 [0,1,1,0,0,0|1,0,1]=4 188 B6R0.1 CCCC(=O)CC SBB061496 [0,1,1,0,0,0|0,0,0]=2 189 B6R0.1 CCCC(=O)NN SBB028175 [0,1,1,0,0,0|1,0,0]=3 190 B6R0.1 CCCC(=O)OC SBB061104 [0,1,1,0,0,0|0,0,0]=2 191 B6R0.1 CCCC(C)CO SBB061282 [0,1,1,0,0,0|0,0,2]=4 192 B6R0.1 CCCC(O)CC SBB061363 [0,1,1,0,0,0|0,0,2]=4 193 B6R0.1 CCC\C(N)=N/O SBB028173 [0,1,1,0,0,0|1,0,1]=4 194 B6R0.1 CCNC(=O)CBr SBB051008 [0,1,1,0,0,0|1,0,0]=3 195 B6R0.1 CCNC(=O)CCl SBB008200 [0,1,1,0,0,0|1,0,0]=3 196 B6R0.1 CCOC(=O)CBr SBB060995 [0,1,1,0,0,0|1,0,0]=3 197 B6R0.1 CCOC(=O)CC SBB060312 [0,1,1,0,0,0|1,0,0]=3 198 B6R0.1 CCOC(=O)NN SBB028182 [0,1,1,0,0,0|2,0,0]=4 199 B6R0.1 COC(=O)CC#N SBB059483 [0,1,1,0,0,0|1,0,1]=4 200 B6R0.1 COC(=O)CCBr SBB070709 [0,1,1,0,0,0|1,0,0]=3 201 B6R0.1 COC(=O)CCN SBB071679 [0,1,1,0,0,0|1,0,0]=3 202 B6R0.1 COCC(=O)NN SBB021113 [0,1,1,0,0,0|2,0,0]=4 203 B6R0.1 C\C=C\C(=O)OC SBB061218 [0,1,1,0,0,0|0,0,2]=4 204 B6R0.1 OCNC(=O)CCl SBB004273 [0,1,1,0,0,0|2,0,0]=4 205 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [0,1,1,0,0,0|1,0,0]=3 206 B6R0.2 C=C(C)OC(C)=O SBB056824 [0,1,1,0,0,0|1,0,1]=4 207 B6R0.2 CC(=O)C=C(C)C SBB040870 [0,1,1,0,0,0|0,0,2]=4 208 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,1,1,0,0,0|0,0,1]=3 209 B6R0.2 CC(=O)CC(C)C SBB060384 [0,1,1,0,0,0|0,0,0]=2 210 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,1,1,0,0,0|1,0,1]=4 211 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,1,1,0,0,0|0,0,2]=4 212 B6R0.2 CC(=O)\C=C(\C)[O-] SBB080715 [0,1,1,0,0,0|0,0,2]=4 213 B6R0.2 CC(C)CC(=O)Cl SBB040623 [0,1,1,0,0,0|1,0,0]=3 214 B6R0.2 CC(C)CC(C)Br SBB007950 [0,1,1,0,0,0|1,0,1]=4 215 B6R0.2 CC(C)CC(C)O SBB061337 [0,1,1,0,0,0|0,0,2]=4 216 B6R0.2 CC(C)CC(N)=O SBB028167 [0,1,1,0,0,0|1,0,0]=3 217 B6R0.2 CC(O)CC(=O)O SBB065815 [0,1,1,0,0,0|1,0,0]=3 218 B6R0.2 CC(O)CN(C)C SBB060002 [0,1,1,0,0,0|2,0,0]=4 219 B6R0.2 CN(C)CC(=O)O SBB065779 [0,1,1,0,0,0|2,0,0]=4 220 B6R0.2 [NH+](C)(C)CC(=O)O SBB061663 [0,1,1,0,0,0|2,0,0]=4 221 B6R0.3 CC(CN)C(=O)O SBB061656 [0,1,1,0,0,0|2,0,0]=4 222 B6R0.3 CCC(=O)C(C)=O SBB061626 [0,1,1,0,0,0|0,0,1]=3 223 B6R0.3 CCC(Br)C(=O)O SBB040791 [0,1,1,0,0,0|1,0,0]=3 224 B6R0.3 CCC(C)C(C)C SBB061452 [0,1,1,0,0,0|1,0,1]=4 225 B6R0.3 CCC(N)C(N)=O SBB017505 [0,1,1,0,0,0|1,0,0]=3 226 B6R0.3 CC[C@H](N)C(=O)O SBB053588 [0,1,1,0,0,0|1,0,0]=3 227 B6R0.3 CN[C@@H](C)C(=O)O SBB069105 [0,1,1,0,0,0|2,0,0]=4 228 B6R0.3 CN[C@@H](C)C(=O)O SBB069106 [0,1,1,0,0,0|2,0,0]=4 229 B6R0.3 NC(=O)C(N)CO SBB004161 [0,1,1,0,0,0|2,0,0]=4 230 B6R0.3 NC(CO)C(=O)O SBB061655 [0,1,1,0,0,0|2,0,0]=4 231 B6R0.3 NCC(N)C(=O)O SBB060844 [0,1,1,0,0,0|2,0,0]=4 232 B6R0.3 NC[C@H](O)C(=O)O SBB062829 [0,1,1,0,0,0|2,0,0]=4 233 B6R0.3 O=C(O)C(Br)CBr SBB068302 [0,1,1,0,0,0|2,0,0]=4 234 B6R0.3 O=C(O)C(O)CCl SBB072606 [0,1,1,0,0,0|2,0,0]=4 235 B6R0.3 OC(=O)[C@@H](CN)N SBB005812 [0,1,1,0,0,0|2,0,0]=4 236 B6R0.4 C#CCCC(=O)O SBB009121 [0,1,1,0,0,0|1,0,1]=4 237 B6R0.4 C=CCCC(=O)O SBB061214 [0,1,1,0,0,0|1,0,1]=4 238 B6R0.4 C=CCCC(C)=O SBB009089 [0,1,1,0,0,0|0,0,1]=3 239 B6R0.4 CC(=O)NCCCl SBB008165 [0,1,1,0,0,0|1,0,0]=3 240 B6R0.4 CC(=O)NCCN SBB028176 [0,1,1,0,0,0|1,0,0]=3 241 B6R0.4 CC(=O)NCCO SBB007954 [0,1,1,0,0,0|1,0,0]=3 242 B6R0.4 CC(=O)OCCCl SBB058505 [0,1,1,0,0,0|1,0,0]=3 243 B6R0.4 CCC#CC(C)=O SBB009086 [0,1,1,0,0,0|0,0,1]=3 244 B6R0.4 CCCCC(=O)O SBB053585 [0,1,1,0,0,0|1,0,0]=3 245 B6R0.4 CCCCC(C)=O SBB061262 [0,1,1,0,0,0|0,0,0]=2 246 B6R0.4 CCCCC(C)O SBB061290 [0,1,1,0,0,0|0,0,2]=4 247 B6R0.4 CCCCC(N)=O SBB028169 [0,1,1,0,0,0|1,0,0]=3 248 B6R0.4 CCCCN(C)C SBB060243 [0,1,1,0,0,0|2,0,0]=4 249 B6R0.4 CCCNC(N)=O SBB028174 [0,1,1,0,0,0|1,0,0]=3 250 B6R0.4 CCCOC(C)=O SBB060305 [0,1,1,0,0,0|0,0,0]=2 251 B6R0.4 CCCOC(N)=O SBB000036 [0,1,1,0,0,0|1,0,0]=3 252 B6R0.4 CCOCC(=O)O SBB069120 [0,1,1,0,0,0|1,0,0]=3 253 B6R0.4 CCOCC(C)O SBB061006 [0,1,1,0,0,0|0,0,2]=4 254 B6R0.4 CCSCC(=O)O SBB047288 [0,1,1,0,0,0|1,0,0]=3 255 B6R0.4 CC\C=C\C(=O)O SBB061994 [0,1,1,0,0,0|1,0,1]=4 256 B6R0.4 CN(C)CCCN SBB028177 [0,1,1,0,0,0|2,0,0]=4 257 B6R0.4 CNCCC(N)=O SBB080375 [0,1,1,0,0,0|1,0,0]=3 258 B6R0.4 NCCCC(=O)O SBB028179 [0,1,1,0,0,0|1,0,0]=3 259 B6R0.4 O=C(Cl)CCCCl SBB060894 [0,1,1,0,0,0|1,0,0]=3 260 B6R0.4 O=C(O)CCCBr SBB065986 [0,1,1,0,0,0|1,0,0]=3 261 B6R0.5 CCCC(C)(C)N SBB052122 [0,1,1,0,0,0|1,0,1]=4 262 B6R0.5 CCCS(=O)(=O)Cl SBB048026 [0,1,1,0,0,0|2,0,0]=4 263 B6R0.5 CCOS(C)(=O)=O SBB058685 [0,1,1,0,0,0|2,0,0]=4 264 B6R0.5 CS(=O)(=O)CCN SBB047603 [0,1,1,0,0,0|2,0,0]=4 265 B6R0.6 C#CCCCCC SBB067441 [0,1,1,0,0,0|1,0,1]=4 266 B6R0.6 C#CCCCCO SBB015110 [0,1,1,0,0,0|1,0,1]=4 267 B6R0.6 C=CCCCCBr SBB054740 [0,1,1,0,0,0|1,0,0]=3 268 B6R0.6 C=CCCCCC SBB059882 [0,1,1,0,0,0|1,0,0]=3 269 B6R0.6 C=CCOCCO SBB060194 [0,1,1,0,0,0|2,0,0]=4 270 B6R0.6 CCCCCC#N SBB060051 [0,1,1,0,0,0|1,0,1]=4 271 B6R0.6 CCCCCCBr SBB059934 [0,1,1,0,0,0|1,0,1]=4 272 B6R0.6 CCCCCCCl SBB059952 [0,1,1,0,0,0|1,0,1]=4 273 B6R0.6 CCCCCCN SBB059984 [0,1,1,0,0,0|1,0,1]=4 274 B6R0.6 CCCCCCO SBB059899 [0,1,1,0,0,0|0,0,2]=4 275 B6R0.6 CCCCCOC SBB061300 [0,1,1,0,0,0|0,0,2]=4 276 B6R0.6 CCCCN=C=S SBB060985 [0,1,1,0,0,0|0,1,1]=4 277 B6R0.6 CCCCNC=O SBB060026 [0,1,1,0,0,0|0,0,0]=2 278 B6R0.6 CCCCOC=O SBB060300 [0,1,1,0,0,0|0,0,0]=2 279 B6R0.6 CCCCSC#N SBB056760 [0,1,1,0,0,0|1,0,1]=4 280 B6R0.6 CCCCSCC SBB061178 [0,1,1,0,0,0|1,0,1]=4 281 B6R0.6 CCCNCCC SBB059762 [0,1,1,0,0,0|1,0,1]=4 282 B6R0.6 CCCOCCO SBB061379 [0,1,1,0,0,0|0,0,2]=4 283 B6R0.6 CCCSCCC SBB061017 [0,1,1,0,0,0|1,0,1]=4 284 B6R0.6 CCCSCCO SBB058605 [0,1,1,0,0,0|0,0,2]=4 285 B6R0.6 CCC\C=C\C=O SBB067097 [0,1,1,0,0,0|0,0,1]=3 286 B6R0.6 CCNCCC#N SBB006528 [0,1,1,0,0,0|1,0,1]=4 287 B6R0.6 CCOCCC#N SBB067181 [0,1,1,0,0,0|1,0,1]=4 288 B6R0.6 CCOCCCN SBB028180 [0,1,1,0,0,0|1,0,1]=4 289 B6R0.6 N#CCCCCCl SBB061418 [0,1,1,0,0,0|1,0,1]=4 290 B6R0.6 NCCCCCN SBB079706 [0,1,1,0,0,0|1,0,1]=4 291 B6R0.6 O=C=NCCCCl SBB068362 [0,1,1,0,0,0|1,0,1]=4 292 B6R0.8 CCC(C)(O)CC SBB060948 [0,1,1,0,0,0|0,0,2]=4 293 B6R0.9 CC=C(CC)CC SBB059883 [0,1,1,0,0,0|1,0,0]=3 294 B6R0.9 CCC(C=O)CC SBB059875 [0,1,1,0,0,0|0,0,1]=3 295 B6R0.9 CCC(CC)CBr SBB059935 [0,1,1,0,0,0|1,0,1]=4 296 B6R0.9 CCC(CC)CN SBB028171 [0,1,1,0,0,0|1,0,1]=4 297 B6R0.9 CCC(CC)CO SBB059900 [0,1,1,0,0,0|0,0,2]=4 298 B6R0.9 CCN(C#N)CC SBB060416 [0,1,1,0,0,0|2,0,0]=4 299 B6R0.9 CCN(C=O)CC SBB056822 [0,1,1,0,0,0|1,0,0]=3 300 B6R0.9 CCN(CC)CC SBB040898 [0,1,1,0,0,0|2,0,0]=4 301 B6R0.9 CCN(CC)CC SBB087540 [0,1,1,0,0,0|2,0,0]=4 302 B6R1.6 BrCC1CCC1 SBB054975 [0,1,0,0,1,0|1,0,1]=4 303 B6R1.6 NCC1CCC1 SBB108847 [0,1,0,0,1,0|1,0,1]=4 304 B6R1.10 CC1(N)CCC1 SBB072407 [0,1,0,0,1,0|1,0,1]=4 305 B8R1.2 BrCC1CCCCO1 SBB054944 [0,1,0,0,0,1|1,0,1]=4 306 B8R1.2 BrCC1CCCNC1 SBB019055 [0,1,0,0,0,1|1,0,1]=4 307 B8R1.2 BrCC1CCOCC1 SBB054945 [0,1,0,0,0,1|1,0,1]=4 308 B8R1.2 C#CC1=CCCCC1 SBB002648 [0,1,0,0,0,1|1,0,0]=3 309 B8R1.2 C(=O)N1CCCCC1 SBB004316 [0,1,0,0,0,1|1,0,0]=3 310 B8R1.2 C(=O)N1CCNCC1 SBB027307 [0,1,0,0,0,1|1,0,0]=3 311 B8R1.2 C(=O)N1CCOCC1 SBB007670 [0,1,0,0,0,1|1,0,0]=3 312 B8R1.2 CCC1CCCCC1 SBB061162 [0,1,0,0,0,1|1,0,1]=4 313 B8R1.2 CCC1CCNCC1 SBB046379 [0,1,0,0,0,1|1,0,1]=4 314 B8R1.2 CCN1CCCCC1 SBB061409 [0,1,0,0,0,1|2,0,0]=4 315 B8R1.2 CCN1CCOCC1 SBB060634 [0,1,0,0,0,1|2,0,0]=4 316 B8R1.2 COC1CCNCC1 SBB019028 [0,1,0,0,0,1|0,0,2]=4 317 B8R1.2 CSC1=NCCCS1 SBB056240 [0,1,0,0,0,1|1,1,0]=4 318 B8R1.2 ClCC1CCCCO1 SBB040653 [0,1,0,0,0,1|1,0,1]=4 319 B8R1.2 N#CC1=CCCCC1 SBB007873 [0,1,0,0,0,1|1,0,0]=3 320 B8R1.2 N#CC1CCCCC1 SBB008404 [0,1,0,0,0,1|1,0,1]=4 321 B8R1.2 N#CC1CCNCC1 SBB062695 [0,1,0,0,0,1|1,0,1]=4 322 B8R1.2 N#CC1CCOCC1 SBB019014 [0,1,0,0,0,1|1,0,1]=4 323 B8R1.2 N#CN1CCOCC1 SBB050234 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.2 N(C)C1CCCCC1 SBB004314 [0,1,0,0,0,1|1,0,1]=4 325 B8R1.2 N1CCCCC1CC SBB004312 [0,1,0,0,0,1|1,0,1]=4 326 B8R1.2 N1CCN(CC)CC1 SBB006719 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.2 NCC1CCCCC1 SBB028193 [0,1,0,0,0,1|1,0,1]=4 328 B8R1.2 NCC1CCCCN1 SBB069774 [0,1,0,0,0,1|1,0,1]=4 329 B8R1.2 NCC1CCCCO1 SBB085471 [0,1,0,0,0,1|1,0,1]=4 330 B8R1.2 NCC1CCCOC1 SBB013821 [0,1,0,0,0,1|1,0,1]=4 331 B8R1.2 NCC1CCNCC1 SBB004305 [0,1,0,0,0,1|1,0,1]=4 332 B8R1.2 NCC1CCOCC1 SBB014254 [0,1,0,0,0,1|1,0,1]=4 333 B8R1.2 NNC1=NCCCN1 SBB055917 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.2 NNC1=NCCCN1 SBB072981 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.2 O=CC1=CCCOC1 SBB018863 [0,1,0,0,0,1|0,0,1]=3 336 B8R1.2 O=CC1CC=CCC1 SBB068360 [0,1,0,0,0,1|0,0,2]=4 337 B8R1.2 O=CC1CCNCC1 SBB052337 [0,1,0,0,0,1|0,0,1]=3 338 B8R1.2 O=CC1CCOCC1 SBB052321 [0,1,0,0,0,1|0,0,1]=3 339 B8R1.2 OCC1CCCCC1 SBB061328 [0,1,0,0,0,1|0,0,2]=4 340 B8R1.2 OCC1CCCCN1 SBB058544 [0,1,0,0,0,1|0,0,2]=4 341 B8R1.2 OCC1CCCCO1 SBB008943 [0,1,0,0,0,1|0,0,2]=4 342 B8R1.2 OCC1CCCOC1 SBB014200 [0,1,0,0,0,1|0,0,2]=4 343 B8R1.2 OCC1CCNCC1 SBB054833 [0,1,0,0,0,1|0,0,2]=4 344 B8R1.2 ON=C1CCCCC1 SBB058381 [0,1,0,0,0,1|0,0,1]=3 345 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,1,0,0,0,1|1,0,1]=4 346 B8R1.3 CC1CCC(C)CC1 SBB061451 [0,1,0,0,0,1|1,0,1]=4 347 B8R1.3 CC1CCC(O)CC1 SBB060479 [0,1,0,0,0,1|0,0,2]=4 348 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,1,0,0,0,1|0,0,0]=2 349 B8R1.3 CN1CCC(Cl)CC1 SBB057204 [0,1,0,0,0,1|1,0,1]=4 350 B8R1.3 CN1CCC(N)CC1 SBB004306 [0,1,0,0,0,1|1,0,1]=4 351 B8R1.3 C[C@H]1CC[C@H](N)CC1 SBB069772 [0,1,0,0,0,1|1,0,1]=4 352 B8R1.3 NN1CCN(C)CC1 SBB004299 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.3 N[C@H]1CC[C@H](N)CC1 SBB008553 [0,1,0,0,0,1|1,0,1]=4 354 B8R1.3 N[C@H]1CC[C@H](O)CC1 SBB005825 [0,1,0,0,0,1|0,0,2]=4 355 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,1,0,0,0,1|0,0,0]=2 356 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,1,0,0,0,1|0,0,0]=2 357 B8R1.3 O=C1CNC(=O)CN1 SBB079702 [0,1,0,0,0,1|1,0,1]=4 358 B8R1.3 OC1CCC(Cl)CC1 SBB007863 [0,1,0,0,0,1|0,0,2]=4 359 B8R1.3 OC1CCN(C)CC1 SBB004301 [0,1,0,0,0,1|0,0,2]=4 360 B8R1.4 CC1=CC(=O)CCC1 SBB007736 [0,1,0,0,0,1|0,0,1]=3 361 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,1,0,0,0,1|1,0,1]=4 362 B8R1.4 CC1CCCC(C)N1 SBB004313 [0,1,0,0,0,1|1,0,1]=4 363 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,1,0,0,0,1|0,0,2]=4 364 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,1,0,0,0,1|1,0,1]=4 365 B8R1.4 CC1CNCC(C)C1 SBB027312 [0,1,0,0,0,1|1,0,1]=4 366 B8R1.4 CN1CCCC(N)C1 SBB047756 [0,1,0,0,0,1|1,0,1]=4 367 B8R1.4 NC1=CC(=O)CCC1 SBB028190 [0,1,0,0,0,1|0,0,1]=3 368 B8R1.4 O=C1CCCC(=O)C1 SBB061546 [0,1,0,0,0,1|0,0,0]=2 369 B8R1.4 O=C1CCCC(=O)O1 SBB060010 [0,1,0,0,0,1|0,0,1]=3 370 B8R1.4 O=C1CCNC(=O)N1 SBB007702 [0,1,0,0,0,1|1,0,1]=4 371 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,1,0,0,0,1|1,0,1]=4 372 B8R1.4 O=C1CSCC(=O)O1 SBB085808 [0,1,0,0,0,1|1,0,1]=4 373 B8R1.5 BrC1CCCC[C@@H]1Br SBB060495 [0,1,0,0,0,1|1,0,1]=4 374 B8R1.5 CC1=C(C)CCCC1 SBB060472 [0,1,0,0,0,1|1,0,0]=3 375 B8R1.5 CC1=NCCCN1C SBB001664 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.5 CC1CCCCC1=O SBB058517 [0,1,0,0,0,1|0,0,0]=2 377 B8R1.5 CC1CCCCC1N SBB061724 [0,1,0,0,0,1|1,0,1]=4 378 B8R1.5 CC1CCCCN1C SBB060747 [0,1,0,0,0,1|1,0,1]=4 379 B8R1.5 CC1CCCNC1C SBB027556 [0,1,0,0,0,1|1,0,1]=4 380 B8R1.5 CC1CNCCC1O SBB300760 [0,1,0,0,0,1|0,0,2]=4 381 B8R1.5 CC1NCCNC1=O SBB080100 [0,1,0,0,0,1|1,0,0]=3 382 B8R1.5 CC1SCCNC1=O SBB111924 [0,1,0,0,0,1|1,0,0]=3 383 B8R1.5 Cl[C@H]1CCCC[C@H]1Cl SBB007831 [0,1,0,0,0,1|1,0,1]=4 384 B8R1.5 FC1CCCCC1Br SBB089745 [0,1,0,0,0,1|1,0,1]=4 385 B8R1.5 NC1CCCNC1=O SBB012739 [0,1,0,0,0,1|0,0,0]=2 386 B8R1.5 N[C@@H]1CCCC[C@H]1N SBB007639 [0,1,0,0,0,1|1,0,1]=4 387 B8R1.5 O=C1CCCCC1Cl SBB061548 [0,1,0,0,0,1|0,0,0]=2 388 B8R1.5 O=C1NCCNC1=O SBB079701 [0,1,0,0,0,1|1,0,1]=4 389 B8R1.5 O[C@@H]1CCCC[C@H]1O SBB007679 [0,1,0,0,0,1|0,0,2]=4 390 B8R1.5 O[C@H]1CCCC[C@H]1O SBB007678 [0,1,0,0,0,1|0,0,2]=4 391 B8R1.72 CC1(C)CCCNC1 SBB027276 [0,1,0,0,0,1|1,0,1]=4 392 B8R1.72 CC1(O)CCCCC1 SBB061165 [0,1,0,0,0,1|0,0,2]=4 393 B8R1.72 C[N+]1(C)CCOCC1 SBB057461 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.72 C[N+]1([O-])CCOCC1 SBB058349 [0,1,0,0,0,1|1,0,1]=4 395 B8R1.72 FC1(F)CCCNC1 SBB087232 [0,1,0,0,0,1|1,0,1]=4 396 B8R1.72 FC1(F)CCNCC1 SBB087231 [0,1,0,0,0,1|1,0,1]=4 397 B8R1.72 O=S1(=O)CCCCO1 SBB059317 [0,1,0,0,0,1|1,0,0]=3 398 B8R1.72 O=S1(=O)CCNCC1 SBB010267 [0,1,0,0,0,1|1,0,0]=3 399 B8R1.72 O=S1(=O)CCNCC1 SBB056140 [0,1,0,0,0,1|1,0,0]=3 400 B8R1.72 OC1(O)CCNCC1 SBB004037 [0,1,0,0,0,1|0,0,2]=4 401 B8R1.1 CCC1COC(=O)O1 SBB008625 [0,2,0,0,0,0|2,0,0]=4 402 B8R1.1 CN1CCC(CCl)C1 SBB012983 [0,2,0,0,0,0|2,0,0]=4 403 B8R1.1 CNC1CCN(C)C1 SBB052021 [0,2,0,0,0,0|2,0,0]=4 404 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,2,0,0,0,0|1,0,0]=3 405 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,2,0,0,0,0|1,0,0]=3 407 B8R1.7 N=C(N)C1CCCC1 SBB056275 [0,2,0,0,0,0|1,0,1]=4 408 B8R1.7 N=C(N)N1CCCC1 SBB056159 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.7 NC(=O)C1=NCCN1 SBB013487 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.7 NC(=O)C1CCCN1 SBB004067 [0,2,0,0,0,0|1,0,1]=4 411 B8R1.7 NC(=O)[C@@H]1CCCN1 SBB006531 [0,2,0,0,0,0|1,0,1]=4 412 B8R1.7 O=C(O)C1CCCC1 SBB065782 [0,2,0,0,0,0|0,0,1]=3 413 B8R1.7 O=C(O)C1CCCO1 SBB004298 [0,2,0,0,0,0|1,0,1]=4 414 B8R1.7 O=C(O)C1CCNC1 SBB053378 [0,2,0,0,0,0|1,0,1]=4 415 B8R1.7 O=C(O)C1CCNC1 SBB069272 [0,2,0,0,0,0|1,0,1]=4 416 B8R1.7 O=C(O)C1CCOC1 SBB053083 [0,2,0,0,0,0|1,0,1]=4 417 B8R1.7 O=C(O)[C@H]1CCCN1 SBB006712 [0,2,0,0,0,0|1,0,1]=4 418 B8R1.7 O=C(O)[C@H]1CCNC1 SBB065825 [0,2,0,0,0,0|1,0,1]=4 419 B8R1.8 C=CCC1CCCC1 SBB008872 [0,2,0,0,0,0|1,0,1]=4 420 B8R1.8 ClCCN1CCCC1 SBB070714 [0,2,0,0,0,0|2,0,0]=4 421 B8R1.8 N#CCN1CCCC1 SBB047434 [0,2,0,0,0,0|2,0,0]=4 422 B8R1.8 NCCC1CCCC1 SBB072011 [0,2,0,0,0,0|1,0,1]=4 423 B8R1.8 NCCN1CCCC1 SBB004304 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.8 O=C=NC1CCCC1 SBB046723 [0,2,0,0,0,0|0,0,1]=3 425 B8R1.8 OCCC1CCCC1 SBB008459 [0,2,0,0,0,0|0,0,2]=4 426 B8R1.8 OCCN1CCCC1 SBB060257 [0,2,0,0,0,0|1,0,1]=4 427 B8R1.8 S=C=NC1CCCC1 SBB017610 [0,2,0,0,0,0|0,1,1]=4 428 B8R1.11 CN1CCCC1CO SBB108833 [0,2,0,0,0,0|2,0,0]=4 429 B8R1.11 N#CC1=C(N)CCC1 SBB014004 [0,2,0,0,0,0|1,0,1]=4 430 B8R1.52 C#CC1(O)CCCC1 SBB002132 [0,2,0,0,0,0|0,0,2]=4 431 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,2,0,0,0,0|0,0,1]=3 432 B8R1.50 CN1CCN(C)C1=O SBB008346 [0,2,0,0,0,0|2,0,0]=4 433 B8R1.50 O=C1CCC(=O)N1Br SBB007826 [0,2,0,0,0,0|1,0,1]=4 434 B8R1.50 O=C1CCC(=O)N1Cl SBB058749 [0,2,0,0,0,0|1,0,1]=4 435 B8R1.50 O=C1CCC(=O)N1I SBB056268 [0,2,0,0,0,0|1,0,1]=4 436 B8R1.50 O=C1COC(=O)C1Cl SBB059534 [0,2,0,0,0,0|1,0,1]=4 437 B8R1.51 NC1CCS(=O)(=O)C1 SBB005601 [0,2,0,0,0,0|1,0,0]=3 438 B8R1.51 NC1CCS(=O)(=O)C1 SBB073006 [0,2,0,0,0,0|1,0,0]=3 439 B8R1.51 O=S1(=O)CCC(Br)C1 SBB019024 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.51 O=S1(=O)CCC(Cl)C1 SBB041213 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.51 O=S1(=O)CCC(O)C1 SBB001886 [0,2,0,0,0,0|1,0,0]=3 442 B8R1.19 CC1(Br)CCOC1=O SBB057373 [0,2,0,0,0,0|1,0,0]=3 443 B6R1.11 CC(=O)C1CC1 SBB040825 [0,0,1,1,0,0|0,0,0]=2 444 B6R1.11 CC(N)C1CC1 SBB027096 [0,0,1,1,0,0|1,0,1]=4 445 B6R1.11 N=C(N)C1CC1 SBB028203 [0,0,1,1,0,0|2,0,0]=4 446 B6R1.11 NC(=O)C1CC1 SBB008326 [0,0,1,1,0,0|1,0,0]=3 447 B6R1.11 NC(=S)C1CC1 SBB024106 [0,0,1,1,0,0|1,1,0]=4 448 B6R1.11 O=C(Cl)C1CC1 SBB061720 [0,0,1,1,0,0|1,0,0]=3 449 B6R1.11 O=C(O)C1CC1 SBB008028 [0,0,1,1,0,0|1,0,0]=3 450 B6R1.1 C1=COCCC1 SBB060381 [0,0,1,1,0,0|0,0,2]=4 451 B8R2.25 C1CCC2OC2C1 SBB061377 [0,0,0,1,0,1|0,0,2]=4 452 B8R2.34 C1CC2CC1CN2 SBB013021 [0,0,0,1,0,1|1,0,1]=4 453 B8R1.22 CN1CCCNCC1 SBB056191 [0,0,0,0,0,2|2,0,0]=4 454 B8R1.22 NC1CCCCCC1 SBB004311 [0,0,0,0,0,2|1,0,1]=4 455 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,0,0,2|0,0,0]=2 456 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,0,0,2|0,0,0]=2 457 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,0,0,2|0,0,0]=2 458 B8R1.22 O=S1OCCCCO1 SBB060665 [0,0,0,0,0,2|1,0,0]=3 459 B8R1.22 OC1CCCCCC1 SBB061138 [0,0,0,0,0,2|0,0,2]=4 460 B8R1.22 S=C1NCCCCN1 SBB085765 [0,0,0,0,0,2|0,1,0]=3