0 B10R1.66 CC(=O)CCN1C=CC=N1 SBB047979 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 CC(=O)OCC1=CC=CO1 SBB055767 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.66 CC(=O)SCC1=CC=CO1 SBB057323 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.66 CC(=O)\C=C\C1=CC=CO1 SBB056697 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.66 CC(=O)\C=C\C1=CC=CS1 SBB056771 [0,0,0,0,0,0|1,1,1]=3 5 B10R1.66 CC(N)CCC1=CC=CO1 SBB007120 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.66 NC(=O)\C=C\C1=CC=CO1 SBB085962 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.66 NC(=S)NCC1=CC=CO1 SBB017660 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.66 O=C(O)CCC1=CC=NO1 SBB013802 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.66 O=C(O)CCN1C=CC=C1 SBB010274 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.66 O=C(O)CCN1C=CC=N1 SBB047343 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 SBB000076 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.66 OC(=O)CCC1=CC=CO1 SBB005449 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.66 OC(=O)\C=C\C1=CC=CO1 SBB004189 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.66 OC(=O)\C=C\C1=CC=CS1 SBB004032 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.12 C(=O)\C=C\C1=CC=CO1 SBB004286 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.12 CCNCC1=CC=CO1 SBB047492 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.12 CSSCC1=CC=CO1 SBB057326 [1,0,0,0,0,0|1,1,0]=3 18 B9R1.12 NCCCC1=CC=CO1 SBB047796 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.12 S=C=NCC1=CC=CO1 SBB017397 [1,0,0,0,0,0|1,1,1]=4 20 B11R1.25 CCC(=O)SCC1=CC=CO1 SBB058322 [0,1,0,0,0,0|0,1,0]=2 21 B11R1.25 CCC(=S)OCC1=CC=CO1 SBB067099 [0,1,0,0,0,0|0,1,0]=2 22 B11R1.25 CNC(C)CCC1=CC=CO1 SBB007121 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.25 COC(=O)\C=C\C1=CC=CS1 SBB088191 [0,1,0,0,0,0|1,1,1]=4 24 B11R1.25 NNC(=S)NCC1=CC=CO1 SBB017685 [0,1,0,0,0,0|2,1,0]=4 25 B11R1.25 O=C(CBr)NCC1=CC=CO1 SBB080068 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.25 O=C(CBr)NCC1=CC=CS1 SBB080070 [0,1,0,0,0,0|1,1,0]=3 27 B11R1.25 O=C(CCl)NCC1=CC=CO1 SBB000183 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.25 O=C(CCl)NCC1=CC=CS1 SBB038695 [0,1,0,0,0,0|1,1,0]=3 29 B11R1.35 CC(CC1=CC=CS1)C(=O)O SBB027240 [0,1,0,0,0,0|2,1,0]=4 30 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SBB066404 [0,1,0,0,0,0|2,1,0]=4 31 B11R1.75 CC1=CC=C(CCC(=O)O)O1 SBB007451 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 SBB005723 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.75 CC1=CC=C(\C=C\C(N)=O)O1 SBB113445 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.75 O=C(O)CCC1=CC(=O)NO1 SBB014903 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 SBB007117 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 SBB017377 [0,1,0,0,0,0|1,1,1]=4 37 B11R1.77 NC(CC(=O)O)C1=CC=CO1 SBB007398 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.13 CC(=O)CN1C=CC=N1 SBB002740 [0,0,0,0,1,0|2,0,0]=3 39 B9R1.13 CC(=O)CN1C=NC=N1 SBB018745 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.13 CC(=O)NC1=NC=CS1 SBB012345 [0,0,0,0,1,0|2,1,0]=4 41 B9R1.13 CC(N)CC1=CC=CO1 SBB010238 [0,0,0,0,1,0|1,0,1]=3 42 B9R1.13 CC(N)CC1=CC=CS1 SBB010287 [0,0,0,0,1,0|1,1,1]=4 43 B9R1.13 CN(C)CC1=CC=CN1 SBB049515 [0,0,0,0,1,0|3,0,0]=4 44 B9R1.13 O=C(Cl)CC1=CC=CS1 SBB006705 [0,0,0,0,1,0|1,1,0]=3 45 B9R1.13 O=C(O)CC1=CN=CN1 SBB003940 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.13 O=C(O)CC1=CSC=N1 SBB018908 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.13 O=C(O)CN1C=CC=N1 SBB010248 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.13 OC(=O)CC1=CC=CS1 SBB004145 [0,0,0,0,1,0|1,1,0]=3 49 B9R1.13 OC(=O)CC1=CNC=N1 SBB005448 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.13 OC(=O)CC1=CSC=C1 SBB004147 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [0,0,0,0,0,1|2,0,1]=4 52 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [0,0,0,0,0,1|1,0,0]=2 55 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [0,0,0,0,0,1|2,0,0]=3 56 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [0,0,0,0,0,1|3,0,0]=4 58 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [0,0,0,0,0,1|2,0,0]=3 60 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [0,0,0,0,0,1|3,0,0]=4 65 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.172 CC(=O)CSCC1=CC=CO1 SBB116836 [0,0,0,0,0,1|0,1,0]=2 67 B11R1.172 CC(O)COCC1=CC=CO1 SBB017123 [0,0,0,0,0,1|0,0,2]=3 68 B11R1.172 O=C(O)CSCC1=CC=CO1 SBB010540 [0,0,0,0,0,1|1,1,0]=3 69 B8R1.8 CCCC1=CC=CS1 SBB073407 [2,0,0,0,0,0|0,1,1]=4 70 B8R1.8 CNCC1=CC=CO1 SBB079004 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.8 NCCC1=CC=CO1 SBB013333 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.11 CCOC(=O)C1=CC=CO1 SBB067087 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.16 CC1=CC=C(CCC=O)O1 SBB017913 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.21 NCCSCC1=CC=CO1 SBB010394 [1,1,0,0,0,0|0,1,1]=4 76 B10R1.21 OCCNCC1=CC=CO1 SBB017330 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.27 CCC(=O)CC1=CC=CO1 SBB014951 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.27 C\C(C=O)=C\C1=CC=CO1 SBB040268 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.23 NC(=O)C(=O)C1=CC=CO1 SBB058265 [0,1,0,0,1,0|1,0,1]=4 80 B10R1.23 NC(C(=O)O)C1=CC=CS1 SBB028327 [0,1,0,0,1,0|1,1,0]=4 81 B10R1.23 O=C(O)C(=O)C1=CC=CO1 SBB058266 [0,1,0,0,1,0|1,0,1]=4 82 B10R1.54 CC(=O)CN1C=C(Br)C=N1 SBB022356 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.54 CC(=O)CN1C=C(C)C=N1 SBB026107 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.54 CC(=O)CN1C=CC(C)=N1 SBB022223 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.54 CC1=NOC(CC(=O)O)=C1 SBB053168 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.64 CC(=O)CN1N=CC=C1C SBB022354 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [0,1,0,0,0,1|1,0,0]=3 90 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SBB068279 [0,1,0,0,0,1|1,0,1]=4 91 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.27 N#CC(=O)OCC1=CC=CC=C1 SBB057332 [0,1,0,0,0,1|1,0,1]=4 95 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [0,1,0,0,0,1|1,0,0]=3 96 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SBB063031 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [0,1,0,0,0,1|1,0,0]=3 99 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [0,1,0,0,0,1|1,0,0]=3 101 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 SBB010490 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.105 CC1=NOC(COCC(=O)O)=C1 SBB026257 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.130 CC(=O)OCCC1=C(C)N=CS1 SBB056643 [0,1,0,0,0,1|1,1,0]=4 109 B12R1.264 CC(SCC1=CC=CO1)C(=O)O SBB010744 [0,1,0,0,0,1|1,1,0]=4 110 B12R1.477 COC(=O)CSCC1=CC=CS1 SBB058541 [0,1,0,0,0,1|0,2,0]=4 111 B12R1.477 NCC(O)COCC1=CC=CO1 SBB010520 [0,1,0,0,0,1|0,0,2]=4 112 B12R1.477 O=C(CCl)CNCC1=CC=CO1 SBB010042 [0,1,0,0,0,1|1,0,0]=3 113 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 SBB001549 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.51 N#CCC(=O)NCC1=CC=CO1 SBB000149 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.51 N#CCC(=O)NCC1=CC=CS1 SBB049471 [0,2,0,0,0,0|1,1,0]=4 116 B12R1.51 O=C(CCCl)NCC1=CC=CS1 SBB047039 [0,2,0,0,0,0|1,1,0]=4 117 B12R1.59 CC(=O)OCC1=CC=C(C=O)O1 SBB067647 [0,2,0,0,0,0|0,0,0]=2 118 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [0,0,1,1,0,0|1,0,1]=4 119 B10R1.61 CC(=O)C1=CC=CC=C1O SBB040261 [0,0,1,1,0,0|1,0,1]=4 120 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SBB040280 [0,0,1,1,0,0|1,0,1]=4 121 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [0,0,0,1,0,1|1,0,0]=3 122 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [0,0,0,0,2,0|1,0,0]=3 123 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [0,0,0,0,2,0|0,0,0]=2 124 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [0,0,0,0,2,0|0,1,0]=3 125 B8R1.7 CC(=O)C1=CC=NN1 SBB086523 [0,0,0,0,2,0|2,0,0]=4 126 B8R1.7 CC(=O)C1=CSC=C1 SBB048022 [0,0,0,0,2,0|2,0,0]=4 127 B8R1.7 CC(=O)C1=NC=CS1 SBB085685 [0,0,0,0,2,0|1,1,0]=4 128 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [0,0,0,0,2,0|1,0,1]=4 129 B8R1.7 NC(=O)C1=CC=CO1 SBB028188 [0,0,0,0,2,0|1,0,0]=3 130 B8R1.7 NC(=O)C1=CC=CS1 SBB028227 [0,0,0,0,2,0|1,1,0]=4 131 B8R1.7 NC(=S)C1=CC=CO1 SBB055768 [0,0,0,0,2,0|1,1,0]=4 132 B8R1.7 O=C(Cl)C1=CC=CO1 SBB004224 [0,0,0,0,2,0|1,0,0]=3 133 B8R1.7 O=C(Cl)C1=CC=CS1 SBB004099 [0,0,0,0,2,0|1,1,0]=4 134 B8R1.7 O=C(Cl)C1=CC=NO1 SBB005469 [0,0,0,0,2,0|2,0,0]=4 135 B8R1.7 O=C(O)C1=CC=CN1 SBB004332 [0,0,0,0,2,0|2,0,0]=4 136 B8R1.7 O=C(O)C1=CC=CO1 SBB004324 [0,0,0,0,2,0|1,0,0]=3 137 B8R1.7 O=C(O)C1=CC=CS1 SBB004241 [0,0,0,0,2,0|1,1,0]=4 138 B8R1.7 O=C(O)C1=CC=NO1 SBB004319 [0,0,0,0,2,0|2,0,0]=4 139 B8R1.7 O=C(O)C1=CN=CO1 SBB053191 [0,0,0,0,2,0|2,0,0]=4 140 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,0,0,0,0,1|2,0,0]=4 141 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,0,0,0,0,1|1,0,1]=4 142 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,0,0,0,0,1|1,0,0]=3 143 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,0,0,0,0,2|2,0,0]=4 144 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,0,0,0,0,2|1,1,0]=4 145 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,0,0,0,0,2|2,0,0]=4 146 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,0,0,0,0,2|1,0,0]=3 147 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,0,0,0,2|2,0,0]=4 148 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,0,0,0,2|2,0,0]=4 149 B12R1.255 NC(=O)CCNCC1=CC=CO1 SBB116752 [0,0,0,0,0,2|2,0,0]=4