0 B8R1.1 C#CC1=NN(C)C=C1 SBB116170 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 C(=O)C1=CC=C(C)S1 SBB004249 [0,0,0,0,0,0|0,1,2]=3 2 B8R1.1 C(=O)C1=CC=C(Cl)O1 SBB004223 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.1 C(=O)C1=CC=C(Cl)S1 SBB004100 [0,0,0,0,0,0|1,1,2]=4 4 B8R1.1 C(=O)C1=CC=C(F)S1 SBB027017 [0,0,0,0,0,0|1,1,2]=4 5 B8R1.1 CC1=CC(CBr)=NO1 SBB089113 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 CC1=CC(CCl)=NO1 SBB026481 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CC1=CC(CN)=NO1 SBB018900 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CC1=CC(CO)=CS1 SBB017457 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.1 CC1=CC(CO)=NO1 SBB025974 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.1 CC1=CC=C(C=O)O1 SBB040222 [0,0,0,0,0,0|0,0,2]=2 11 B8R1.1 CC1=CC=C(CN)O1 SBB047770 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.1 CC1=CN(CCl)N=C1 SBB031559 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CC1=CN(CO)N=C1 SBB023299 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.1 CC1=CN=C(C=O)S1 SBB052287 [0,0,0,0,0,0|1,1,2]=4 15 B8R1.1 CC1=CN=C(CO)S1 SBB054807 [0,0,0,0,0,0|1,1,0]=2 16 B8R1.1 CC1=CSC(CO)=N1 SBB054809 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.1 CC1=NC(C#N)=CS1 SBB085571 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 CC1=NC(C=O)=CN1 SBB052314 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.1 CC1=NC(C=O)=CS1 SBB085686 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.1 CC1=NC(CCl)=CS1 SBB005574 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.1 CC1=NC(CCl)=CS1 SBB054934 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 CC1=NC(CCl)=NO1 SBB014359 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CC1=NC(CN)=CS1 SBB052476 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 CC1=NC(CN)=NO1 SBB018524 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CC1=NC(CO)=NO1 SBB018815 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 CC1=NC=C(C=O)S1 SBB018895 [0,0,0,0,0,0|1,1,2]=4 27 B8R1.1 CC1=NN=C(CCl)O1 SBB012831 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.1 CC1=NN=C(CN)O1 SBB018726 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.1 CC1=NNC(CN)=C1 SBB027644 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 CC1=NNC(CN)=N1 SBB013189 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.1 CC1=NNC(CO)=C1 SBB080476 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.1 CC1=NOC(CCl)=N1 SBB014390 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CC1=NOC(CN)=C1 SBB026727 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CC1=NOC(CO)=C1 SBB025975 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 CCC1=NN=C(N)O1 SBB059512 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CCN1C=CC(Br)=N1 SBB054434 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.1 CCN1C=CC(I)=N1 SBB116216 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.1 CCN1C=CC(N)=N1 SBB020916 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.1 CN1C=C(CCl)C=N1 SBB026129 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 CN1C=C(CN)C=N1 SBB000039 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 CN1C=C(CO)C=N1 SBB022156 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 CN1C=CC(C#N)=N1 SBB021945 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.1 CN1C=CC(C=O)=N1 SBB020577 [0,0,0,0,0,0|2,0,2]=4 46 B8R1.1 CN1C=CC(CCl)=N1 SBB054941 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.1 CN1C=CC(CN)=N1 SBB020585 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.1 CN1C=CC(CO)=N1 SBB073640 [0,0,0,0,0,0|2,0,0]=2 49 B8R1.1 ClCC1=CN=C(Cl)S1 SBB070711 [0,0,0,0,0,0|3,1,0]=4 50 B8R1.1 N#CC1=CC=C(Br)O1 SBB000174 [0,0,0,0,0,0|2,0,1]=3 51 B8R1.1 N#CC1=CC=C(F)S1 SBB116496 [0,0,0,0,0,0|2,1,1]=4 52 B8R1.1 N1C=C(C)N=C1CC SBB004334 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.1 NC1=NC(CCl)=CS1 SBB027575 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 NC1=NC(CCl)=CS1 SBB090242 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 NC1=NC(CO)=CS1 SBB014800 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.1 NC1=NC(CO)=NN1 SBB012798 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 NC1=NC=C(CO)S1 SBB054810 [0,0,0,0,0,0|2,1,0]=3 58 B8R1.1 NC1=NNC(CO)=C1 SBB073850 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.1 NCC1=CC=C(Br)O1 SBB014655 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 SBB054869 [0,0,0,0,0,0|2,0,2]=4 61 B8R1.1 O=C1C=C[C@H](CO)O1 SBB006580 [0,0,0,0,0,0|1,0,1]=2 62 B8R1.1 O=CC1=CC=C(Br)O1 SBB047477 [0,0,0,0,0,0|1,0,2]=3 63 B8R1.1 O=CC1=CC=C(Br)S1 SBB000294 [0,0,0,0,0,0|1,1,2]=4 64 B8R1.1 O=CC1=CC=C(I)O1 SBB039297 [0,0,0,0,0,0|1,0,2]=3 65 B8R1.1 OCC1=CC(Br)=CS1 SBB091532 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.1 OCC1=CC=C(Br)S1 SBB068487 [0,0,0,0,0,0|1,1,0]=2 67 B8R1.1 OCC1=CC=C(F)S1 SBB073359 [0,0,0,0,0,0|1,1,0]=2 68 B8R1.1 OCC1=CN=C(Cl)S1 SBB086668 [0,0,0,0,0,0|2,1,0]=3 69 B8R1.1 OCN1C=C(Br)C=N1 SBB024003 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.1 OCN1C=C(Cl)C=N1 SBB022509 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.1 BrCC1=CSC=C1 SBB070721 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 BrCC1=CSC=N1 SBB054932 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 C#CC1=CC=CS1 SBB008821 [1,0,0,0,0,0|1,1,1]=4 74 B7R1.1 CCN1C=CC=N1 SBB020346 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 CSC1=CC=CS1 SBB085766 [1,0,0,0,0,0|2,1,0]=4 76 B7R1.1 ClCC1=CC=NO1 SBB013787 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.1 ClCC1=CSC=N1 SBB054935 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 ClCC1=NOC=C1 SBB013648 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 N#CC1=CC=CN1 SBB067109 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 N#CC1=CC=CO1 SBB055776 [1,0,0,0,0,0|1,0,1]=3 81 B7R1.1 N#CC1=CC=CS1 SBB055745 [1,0,0,0,0,0|1,1,1]=4 82 B7R1.1 NCC1=CC=CO1 SBB004376 [1,0,0,0,0,0|1,0,0]=2 83 B7R1.1 NCC1=CC=CS1 SBB004315 [1,0,0,0,0,0|1,1,0]=3 84 B7R1.1 NCC1=CN=CS1 SBB047473 [1,0,0,0,0,0|2,1,0]=4 85 B7R1.1 NCC1=CSC=C1 SBB079179 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 NCC1=CSC=N1 SBB047472 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 NCC1=NC=CN1 SBB013485 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 NCC1=NC=CN1 SBB052487 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 NCC1=NC=CS1 SBB052479 [1,0,0,0,0,0|2,1,0]=4 90 B7R1.1 NCC1=NNC=C1 SBB020888 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 O=CC1=CC=CN1 SBB004389 [1,0,0,0,0,0|1,0,2]=4 92 B7R1.1 O=CC1=CC=CN1 SBB004390 [1,0,0,0,0,0|1,0,2]=4 93 B7R1.1 O=CC1=CC=CO1 SBB004386 [1,0,0,0,0,0|0,0,2]=3 94 B7R1.1 O=CC1=CC=CS1 SBB004321 [1,0,0,0,0,0|0,1,2]=4 95 B7R1.1 O=CC1=NC=CO1 SBB052295 [1,0,0,0,0,0|1,0,2]=4 96 B7R1.1 OCC1=CC=CO1 SBB004373 [1,0,0,0,0,0|0,0,0]=1 97 B7R1.1 OCC1=CC=CS1 SBB058563 [1,0,0,0,0,0|0,1,0]=2 98 B7R1.1 OCC1=CC=NN1 SBB014141 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.1 OCC1=CN=CS1 SBB066375 [1,0,0,0,0,0|1,1,0]=3 100 B7R1.1 OCC1=CN=NN1 SBB013581 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 OCC1=CNC=N1 SBB004207 [1,0,0,0,0,0|2,0,0]=3 102 B7R1.1 OCC1=CNC=N1 SBB054821 [1,0,0,0,0,0|2,0,0]=3 103 B7R1.1 OCC1=CNN=C1 SBB073660 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 OCC1=CSC=C1 SBB004309 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.1 OCC1=CSC=N1 SBB066562 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.1 OCC1=NC=CN1 SBB054820 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.1 OCC1=NC=CS1 SBB054805 [1,0,0,0,0,0|1,1,0]=3 108 B7R1.1 SCC1=CC=CO1 SBB004308 [1,0,0,0,0,0|0,1,0]=2 109 B7R1.2 CC1=CC(C)=NN1 SBB004377 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.2 CC1=CC(C)=NO1 SBB042637 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.2 CC1=CC=C(C)N1 SBB059455 [1,0,0,0,0,0|1,0,0]=2 112 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [1,0,0,0,0,0|1,1,0]=3 113 B7R1.2 CC1=CN(C)C=N1 SBB073385 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.2 CC1=CN(C)N=C1 SBB073292 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.2 CC1=CN=C(Br)S1 SBB054420 [1,0,0,0,0,0|2,1,0]=4 116 B7R1.2 CC1=CN=C(N)S1 SBB028194 [1,0,0,0,0,0|2,1,0]=4 117 B7R1.2 CC1=CNC(C)=C1 SBB059454 [1,0,0,0,0,0|2,0,0]=3 118 B7R1.2 CC1=COC(N)=N1 SBB051930 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.2 CC1=CSC(Br)=N1 SBB054421 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.2 CC1=CSC(S)=N1 SBB041075 [1,0,0,0,0,0|2,1,0]=4 121 B7R1.2 CC1=NN(C)C=C1 SBB015024 [1,0,0,0,0,0|2,0,0]=3 122 B7R1.2 CC1=NN=C(N)O1 SBB046365 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.2 CC1=NNC(C)=N1 SBB108831 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.2 CN1C=CC(Br)=N1 SBB051488 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.2 CN1C=CC(I)=N1 SBB093951 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.2 CN1C=CC(N)=N1 SBB019460 [1,0,0,0,0,0|3,0,0]=4 127 B7R1.2 IC1=CC=C(I)S1 SBB058942 [1,0,0,0,0,0|2,1,0]=4 128 B7R1.2 N1C=C(C)N=C1C SBB004378 [1,0,0,0,0,0|2,0,0]=3 129 B7R1.2 N1C=C(C)N=C1S SBB059569 [1,0,0,0,0,0|2,1,0]=4 130 B7R1.2 NC1=CC=C(S)S1 SBB000065 [1,0,0,0,0,0|1,2,0]=4 131 B7R1.2 NC1=NC(C)=CS1 SBB004307 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [1,0,0,0,0,0|1,0,1]=3 133 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,1,0,0,0,0|1,1,0]=3 134 B9R1.7 CC1=CC=C(\C=N\O)O1 SBB085593 [0,1,0,0,0,0|0,0,1]=2 135 B9R1.7 CC1=CC=C(\C=N\O)S1 SBB086199 [0,1,0,0,0,0|0,1,1]=3 136 B9R1.7 CC1=CN(CCO)N=C1 SBB033466 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.7 CC1=CN=C(CCN)S1 SBB027447 [0,1,0,0,0,0|2,1,0]=4 138 B9R1.7 CC1=CSC(CC#N)=N1 SBB022616 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.7 CC1=CSC(CCN)=N1 SBB044025 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.7 CC1=NN(CC#N)C=C1 SBB021938 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.7 CC1=NN(CCBr)C=C1 SBB014949 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.7 CC1=NN(CCN)C=C1 SBB009659 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.7 CC1=NN(CCO)C=C1 SBB033467 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.7 CCCN1C=CC(C)=N1 SBB024160 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.7 CN1C=C(CCO)C=N1 SBB026809 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.7 CN1C=CC(CC#N)=N1 SBB073641 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.7 CN1C=CC(CCN)=N1 SBB073919 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [0,1,0,0,0,0|1,1,0]=3 150 B9R1.7 CNCC1=CSC(C)=N1 SBB086256 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.7 CNCC1=NN(C)C=C1 SBB020588 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.7 COCC1=NN=C(N)O1 SBB072106 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.7 O\N=C/C1=CC=C(Br)S1 SBB079259 [0,1,0,0,0,0|1,1,1]=4 154 B9R1.7 O\N=C\C1=CC=C(F)S1 SBB073315 [0,1,0,0,0,0|1,1,1]=4 155 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004259 [0,1,0,0,0,0|0,0,1]=2 156 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004260 [0,1,0,0,0,0|0,0,1]=2 157 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [0,1,0,0,0,0|0,0,2]=3 158 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [0,1,0,0,0,0|0,1,2]=4 159 B9R1.21 CCC1=NN=C(CCl)O1 SBB018931 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.21 CCC1=NOC(CO)=C1 SBB050112 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.21 CCN1C=C(CO)C=N1 SBB019664 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.21 CCN1C=CC(CCl)=N1 SBB025730 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.21 CCN1C=CC(CN)=N1 SBB020586 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.21 CCN1C=CC(CO)=N1 SBB025856 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.21 CSC1=CC=C(C=O)S1 SBB087319 [0,1,0,0,0,0|0,1,2]=4 166 B9R1.22 CC1=CC(C)=C(C=O)N1 SBB066755 [0,1,0,0,0,0|1,0,2]=4 167 B9R1.22 CC1=CC(C)=NN1CO SBB004250 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.22 CC1=NC(C)=C(CO)S1 SBB054806 [0,1,0,0,0,0|1,1,0]=3 169 B9R1.22 CC1=NC(CO)=C(C)O1 SBB085678 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.22 CC1=NN(C)C(CO)=C1 SBB024986 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.22 CC1=NN(C)C=C1CO SBB019670 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.22 CCN1C=C(C)C=C1N SBB059485 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.22 CCN1N=C(C)C=C1C SBB024588 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.22 CCN1N=C(C)C=C1N SBB022583 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.22 CN1C=C(Br)C(CCl)=N1 SBB094235 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.22 CN1C=C(Br)C(CN)=N1 SBB021952 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.22 CN1C=C(Br)C(CO)=N1 SBB073833 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.22 CN1C=C(Cl)C(CCl)=N1 SBB116445 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.22 CN1C=C(Cl)C(CO)=N1 SBB073832 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.23 C(=O)C1=CC(C)=C(C)S1 SBB005570 [0,1,0,0,0,0|0,1,2]=4 181 B9R1.23 CC1=C(Br)C=C(C=O)S1 SBB019870 [0,1,0,0,0,0|0,1,2]=4 182 B9R1.23 CC1=CC(CN)=NN1C SBB020887 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.23 CC1=CC(CO)=NN1C SBB054817 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.23 CCN1C=C(Br)C(C)=N1 SBB020342 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.23 CCN1C=C(Cl)C(C)=N1 SBB046652 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.23 CCN1C=C(I)C(C)=N1 SBB051459 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.23 CCN1C=C(N)C(C)=N1 SBB009354 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.23 O=CC1=CC(Br)=C(Br)O1 SBB052273 [0,1,0,0,0,0|1,0,2]=4 189 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,1,0,0,0,0|0,0,2]=3 190 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,1,0,0,0,0|0,1,2]=4 191 B9R1.35 CC(N)C1=NN(C)C=C1 SBB009481 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.35 CC(O)C1=CC=C(F)S1 SBB073298 [0,1,0,0,0,0|1,1,0]=3 193 B9R1.35 CC1=CC(C(=O)O)=CS1 SBB009287 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.35 CC1=CC=C(B(O)O)O1 SBB004261 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.35 CC1=CC=C(B(O)O)S1 SBB004150 [0,1,0,0,0,0|1,1,0]=3 196 B9R1.35 CC1=CC=C(C(=O)Cl)O1 SBB017922 [0,1,0,0,0,0|0,0,2]=3 197 B9R1.35 CC1=CC=C(C(=O)Cl)S1 SBB087488 [0,1,0,0,0,0|0,1,2]=4 198 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,1,0,0,0,0|0,0,1]=2 199 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,1,0,0,0,0|1,0,0]=2 200 B9R1.35 CC1=CN=C(C(=O)O)S1 SBB053120 [0,1,0,0,0,0|1,1,1]=4 201 B9R1.35 CC1=CSC(C(=O)O)=C1 SBB017915 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.35 CC1=CSC(C(=O)O)=N1 SBB053102 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.35 CC1=NC(C(=O)O)=CO1 SBB019457 [0,1,0,0,0,0|2,0,1]=4 204 B9R1.35 CC1=NC(C(=O)O)=CS1 SBB053121 [0,1,0,0,0,0|2,0,1]=4 205 B9R1.35 CC1=NC=C(C(=O)O)S1 SBB053124 [0,1,0,0,0,0|1,1,1]=4 206 B9R1.35 CC1=NN(C(C)C)C=C1 SBB024815 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.35 CC1=NN(C(F)F)C=C1 SBB000019 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.35 CN1C=CC(C(=O)O)=N1 SBB000008 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.35 NC(=O)C1=CC=C(Br)O1 SBB050272 [0,1,0,0,0,0|1,0,2]=4 210 B9R1.35 O=C(O)C1=CC=C(Br)O1 SBB003644 [0,1,0,0,0,0|1,0,1]=3 211 B9R1.35 O=C(O)C1=CC=C(Br)S1 SBB053058 [0,1,0,0,0,0|1,1,1]=4 212 B9R1.35 O=C(O)C1=CC=C(F)S1 SBB023956 [0,1,0,0,0,0|1,1,1]=4 213 B9R1.35 O=C(O)C1=CC=C(I)O1 SBB039298 [0,1,0,0,0,0|1,0,1]=3 214 B9R1.35 OB(O)C1=CC=C(Cl)S1 SBB003942 [0,1,0,0,0,0|2,1,0]=4 215 B9R1.35 OB(O)C1=CC=C(F)S1 SBB073344 [0,1,0,0,0,0|2,1,0]=4 216 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,1,0,0,0,0|0,1,1]=3 217 B9R1.35 OC(=O)C1=CC=C(Cl)S1 SBB003937 [0,1,0,0,0,0|1,1,1]=4 218 B9R1.132 CC1=C(C)C(CO)=CS1 SBB017430 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.132 CC1=C(CO)C=NN1C SBB019663 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.132 CC1=CC=C(CN)N1C SBB012870 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.132 CN1C(CO)=CN=C1S SBB086358 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.4 CCC\C=C\C(=O)O SBB009088 [0,0,1,0,0,0|2,0,1]=4 223 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,0,1,0,0,0|2,0,1]=4 224 B7R0.4 OC(=O)C\C=C/CC SBB006610 [0,0,1,0,0,0|2,0,1]=4 225 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [0,0,0,0,0,1|2,0,1]=4 228 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [0,0,0,0,0,1|2,0,0]=3 229 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [0,0,0,0,0,1|2,0,0]=3 230 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [0,0,0,0,0,1|1,0,0]=2 231 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [0,0,0,0,0,1|1,1,0]=3 232 B9R1.1 CC1=CC=C(NN)N=N1 SBB055937 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.1 CC1=CN=C(C#N)C=C1 SBB055740 [0,0,0,0,0,1|2,0,1]=4 234 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [0,0,0,0,0,1|1,0,2]=4 235 B9R1.1 CC1=CN=C(CN)C=N1 SBB052489 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.1 CC1=NC=C(C#N)C=C1 SBB065528 [0,0,0,0,0,1|2,0,1]=4 237 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [0,0,0,0,0,1|1,0,2]=4 238 B9R1.1 CC1=NC=C(CO)C=N1 SBB054825 [0,0,0,0,0,1|2,0,0]=3 239 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,0,0,0,0,1|2,0,0]=3 242 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.1 ClCC1=CN=C(Cl)C=C1 SBB003948 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.1 NC1=CC=C(CO)C=N1 SBB085554 [0,0,0,0,0,1|2,0,0]=3 252 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.1 NCC1=CC=C(Cl)N=C1 SBB049618 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [0,0,0,0,0,1|3,0,0]=4 258 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [0,0,0,0,0,1|3,0,0]=4 259 B9R1.1 NCC1=CC=C(N)N=C1 SBB052464 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.1 OCC1=CC=C(F)N=C1 SBB065619 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [0,0,0,0,0,1|2,0,0]=3 266 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [0,0,0,0,0,1|2,0,0]=3 267 B9R1.1 OCC1=CN=C(Cl)C=C1 SBB054780 [0,0,0,0,0,1|2,0,0]=3 268 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [0,0,0,0,0,1|2,1,0]=4 271 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.2 C(=O)C1=CC=CC(C)=N1 SBB004287 [0,0,0,0,0,1|1,0,2]=4 273 B9R1.2 CC1=CC(C#N)=NC=C1 SBB055617 [0,0,0,0,0,1|2,0,1]=4 274 B9R1.2 CC1=CC(C=O)=NC=C1 SBB052226 [0,0,0,0,0,1|1,0,2]=4 275 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [0,0,0,0,0,1|2,0,0]=3 276 B9R1.2 CC1=CC=CC(C#N)=C1 SBB059209 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [0,0,0,0,0,1|2,0,0]=3 278 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [0,0,0,0,0,1|2,0,0]=3 279 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [0,0,0,0,0,1|2,0,0]=3 280 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [0,0,0,0,0,1|2,0,0]=3 281 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [0,0,0,0,0,1|2,0,0]=3 282 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [0,0,0,0,0,1|1,0,0]=2 283 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [0,0,0,0,0,1|1,0,0]=2 284 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [0,0,0,0,0,1|1,1,0]=3 285 B9R1.2 CC1=CN=CC(C#N)=C1 SBB065284 [0,0,0,0,0,1|2,0,1]=4 286 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,0,0,0,0,1|2,0,0]=3 287 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,0,0,0,0,1|2,0,0]=3 288 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.2 CCC1=CC=NC(N)=C1 SBB028207 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.2 CSC1=NC(C)=CC=N1 SBB086177 [0,0,0,0,0,1|3,0,0]=4 294 B9R1.2 ClCC1=CC(Br)=CN=C1 SBB054923 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.2 ClCC1=CC(Cl)=CC=C1 SBB040671 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.2 FC1=CC(CBr)=CC=C1 SBB090883 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.2 FC1=CC=CC(CCl)=C1 SBB040605 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.2 NC1=CC=CC(CO)=C1 SBB037932 [0,0,0,0,0,1|2,0,0]=3 299 B9R1.2 NC1=NC=CC(CO)=C1 SBB046494 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.2 NCC1=CC(Br)=CN=C1 SBB090527 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.2 NCC1=CC(Cl)=CC=C1 SBB004155 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.2 NCC1=CC(Cl)=NC=C1 SBB052439 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.2 NCC1=CC=CC(Br)=C1 SBB005796 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.2 NCC1=CC=CC(F)=C1 SBB028218 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.2 OCC1=CC(Br)=CN=C1 SBB065467 [0,0,0,0,0,1|2,0,0]=3 306 B9R1.2 OCC1=CC(Br)=NC=C1 SBB054782 [0,0,0,0,0,1|2,0,0]=3 307 B9R1.2 OCC1=CC(Cl)=CC=N1 SBB065656 [0,0,0,0,0,1|2,0,0]=3 308 B9R1.2 OCC1=CC(Cl)=NC=C1 SBB054800 [0,0,0,0,0,1|2,0,0]=3 309 B9R1.2 OCC1=CC(F)=CC=C1 SBB064188 [0,0,0,0,0,1|2,0,0]=3 310 B9R1.2 OCC1=CC(I)=CC=C1 SBB068728 [0,0,0,0,0,1|2,0,0]=3 311 B9R1.2 OCC1=CC(S)=CC=C1 SBB054760 [0,0,0,0,0,1|2,0,0]=3 312 B9R1.2 OCC1=CC=CC(Br)=C1 SBB063014 [0,0,0,0,0,1|2,0,0]=3 313 B9R1.2 OCC1=CC=CC(Cl)=C1 SBB064716 [0,0,0,0,0,1|2,0,0]=3 314 B9R1.2 OCC1=CC=CC(O)=C1 SBB068731 [0,0,0,0,0,1|2,0,0]=3 315 B9R1.2 OCC1=NC(Cl)=CC=C1 SBB054794 [0,0,0,0,0,1|2,0,0]=3 316 B9R1.2 [NH3+]CC1=CC(I)=CC=C1 SBB058984 [0,0,0,0,0,1|3,0,0]=4 317 B6R0.1 C=CC(=O)OCC SBB060348 [1,0,1,0,0,0|0,0,2]=4 318 B6R0.2 C=C(C)OC(C)=O SBB056824 [1,0,1,0,0,0|1,0,0]=3 319 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,1,0,0,0|0,0,2]=4 320 B6R0.6 C=CCOCCO SBB060194 [1,0,1,0,0,0|0,0,2]=4 321 B6R0.6 CC\C=C/CCO SBB007739 [1,0,1,0,0,0|0,0,2]=4 322 B6R0.9 C=CC(CCl)OC SBB061093 [1,0,1,0,0,0|1,0,1]=4 323 B6R1.2 BrC1=CC=CO1 SBB054415 [2,0,0,0,0,0|1,0,0]=3 324 B6R1.2 BrC1=CC=CS1 SBB003931 [2,0,0,0,0,0|1,1,0]=4 325 B6R1.2 CC1=CN=CS1 SBB055804 [2,0,0,0,0,0|1,1,0]=4 326 B6R1.2 CC1=NC=CN1 SBB040944 [2,0,0,0,0,0|2,0,0]=4 327 B6R1.2 CC1=NNC=C1 SBB004404 [2,0,0,0,0,0|2,0,0]=4 328 B6R1.2 CN1C=CC=N1 SBB013729 [2,0,0,0,0,0|2,0,0]=4 329 B6R1.2 FC1=CC=CS1 SBB073288 [2,0,0,0,0,0|1,1,0]=4 330 B6R1.2 IC1=CC=CS1 SBB054409 [2,0,0,0,0,0|1,1,0]=4 331 B6R1.2 NC1=NC=CO1 SBB019333 [2,0,0,0,0,0|2,0,0]=4 332 B6R1.2 O=C1C=CCO1 SBB040281 [2,0,0,0,0,0|0,0,2]=4 333 B6R1.2 SC1=CC=CS1 SBB059094 [2,0,0,0,0,0|0,2,0]=4 334 B8R0.6 C\C=C\C=C\C(=O)NO SBB008191 [0,1,1,0,0,0|1,0,1]=4 335 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [1,1,0,0,0,0|0,0,2]=4 336 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [1,1,0,0,0,0|1,1,0]=4 338 B8R1.7 NC(=O)C1=CC=CO1 SBB028188 [1,1,0,0,0,0|0,0,2]=4 339 B8R1.7 NC(=S)C1=CC=CO1 SBB055768 [1,1,0,0,0,0|0,1,1]=4 340 B8R1.7 O=C(Cl)C1=CC=CO1 SBB004224 [1,1,0,0,0,0|0,0,2]=4 341 B8R1.7 O=C(O)C1=CC=CN1 SBB004332 [1,1,0,0,0,0|1,0,1]=4 342 B8R1.7 O=C(O)C1=CC=CO1 SBB004324 [1,1,0,0,0,0|0,0,1]=3 343 B8R1.7 O=C(O)C1=CC=CS1 SBB004241 [1,1,0,0,0,0|0,1,1]=4 344 B8R1.7 O=C(O)C1=CC=NO1 SBB004319 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.7 O=C(O)C1=CN=CO1 SBB053191 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.7 OB(O)C1=CC=CO1 SBB004326 [1,1,0,0,0,0|1,0,0]=3 347 B8R1.7 OB(O)C1=CC=CS1 SBB004243 [1,1,0,0,0,0|1,1,0]=4 348 B8R1.8 CCCC1=CC=CS1 SBB073407 [1,1,0,0,0,0|1,1,0]=4 349 B8R1.8 CNCC1=CC=CO1 SBB079004 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.8 N#CCC1=CC=CS1 SBB055746 [1,1,0,0,0,0|1,1,0]=4 351 B8R1.8 NCCC1=CC=CO1 SBB013333 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.8 NCCC1=CC=CS1 SBB013250 [1,1,0,0,0,0|1,1,0]=4 353 B8R1.8 NCCC1=CC=CS1 SBB013650 [1,1,0,0,0,0|1,1,0]=4 354 B8R1.8 OCCC1=CC=CS1 SBB062831 [1,1,0,0,0,0|0,1,0]=3 355 B8R1.8 OCCN1C=CC=N1 SBB022466 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.11 CC1=C(CN)SC=C1 SBB028229 [1,1,0,0,0,0|1,1,0]=4 357 B8R1.11 CC1=C(CO)C=CO1 SBB054803 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.11 CN1C=CN=C1CO SBB054819 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.11 CN1N=CC=C1CO SBB024002 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.11 O=CC1=C(Br)C=CO1 SBB067497 [1,1,0,0,0,0|0,0,2]=4 361 B8R1.11 OCC1=C(C)N=CN1 SBB005865 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.11 OCC1=NNC=C1I SBB073992 [1,1,0,0,0,0|2,0,0]=4 363 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [1,1,0,0,0,0|1,0,1]=4 364 B8R1.18 CC1=CC(=O)C(C)O1 SBB055769 [1,1,0,0,0,0|0,0,1]=3 365 B8R1.18 CC1=CC(C)=NN1C SBB055828 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.18 CC1=NC(C)=C(Br)S1 SBB054427 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.18 CC1=NN(C)C(Cl)=C1 SBB054432 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.18 CC1=NN(C)C(F)=C1 SBB116432 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.18 CC1=NN(C)C(N)=C1 SBB022916 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.18 CC1=NN(C)C=C1Br SBB005613 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.18 CC1=NN(C)C=C1Cl SBB046655 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.18 CC1=NN(C)C=C1I SBB051457 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.18 CC1=NN(C)C=C1N SBB009353 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.50 CC1=CC=C(C)N1N SBB059489 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.1 CC1=CC=C(CC#N)C=C1 SBB063995 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.1 CC1=CC=C(CON)C=C1 SBB021738 [0,1,0,0,0,1|1,0,0]=3 378 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.3 BrCC1=CC=C(CBr)C=C1 SBB038639 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.3 CCC1=CC=C(CC)C=C1 SBB061169 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.3 CCC1=CC=C(CN)C=C1 SBB017636 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.3 CCC1=CC=C(OC)C=C1 SBB060457 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.3 COC1=CC=C(CBr)C=C1 SBB054916 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.3 COC1=CC=C(CCl)C=C1 SBB040608 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.3 COC1=CC=C(CN)C=C1 SBB040460 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.3 COC1=CC=C(CO)C=C1 SBB063123 [0,1,0,0,0,1|1,0,0]=3 392 B10R1.3 CSC1=CC=C(CN)C=C1 SBB017654 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.3 CSC1=CC=C(CO)C=C1 SBB064786 [0,1,0,0,0,1|1,0,0]=3 394 B10R1.3 ClCC1=CC=C(CCl)C=C1 SBB058873 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.3 N#CC1=CC=C(CO)C=C1 SBB065161 [0,1,0,0,0,1|1,0,1]=4 396 B10R1.3 NCC1=CC=C(CN)C=C1 SBB069890 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.3 NCC1=CC=C(CO)C=C1 SBB052367 [0,1,0,0,0,1|1,0,0]=3 398 B10R1.3 OCC1=CC=C(CO)C=C1 SBB008468 [0,1,0,0,0,1|1,0,0]=3 399 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SBB063808 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.13 CC(O)C1=CC=C(N)C=C1 SBB048111 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.13 CC1=CC=C(B(O)O)C=C1 SBB048068 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.13 CC1=CC=C(B(O)O)C=N1 SBB052580 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SBB040516 [0,1,0,0,0,1|1,0,1]=4 404 B10R1.13 CC1=CC=C(C(=O)O)C=N1 SBB006666 [0,1,0,0,0,1|1,0,1]=4 405 B10R1.13 CC1=CC=C(C(C)C)C=C1 SBB060399 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.13 CC1=CC=C(C(C)N)C=C1 SBB010017 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.13 CC1=CC=C(C(C)O)C=C1 SBB061733 [0,1,0,0,0,1|1,0,0]=3 408 B10R1.13 CC1=CN=C(B(O)O)C=C1 SBB071136 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.13 CC1=CN=C(C(=O)O)C=C1 SBB052876 [0,1,0,0,0,1|1,0,1]=4 410 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SBB064275 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SBB064274 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.13 OC(=O)C1=COC(=O)C=C1 SBB004170 [0,1,0,0,0,1|1,0,1]=4 413 B10R1.25 CC1=C(CO)C=CC(F)=C1 SBB086160 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.25 CC1=CC(C)=C(CCl)C=C1 SBB005790 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.25 CC1=CC(F)=C(CBr)C=C1 SBB093047 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.25 CC1=CC(F)=C(CN)C=C1 SBB086083 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.25 CC1=CC(F)=C(CO)C=C1 SBB086161 [0,1,0,0,0,1|1,0,0]=3 418 B10R1.25 CCC1=C(C)C=C(C)C=C1 SBB061315 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.25 CCC1=C(N)N=C(C)C=C1 SBB028253 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.25 OCC1=C(F)C=C(Br)C=C1 SBB005826 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 SBB087481 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.25 OCC1=C(F)C=C(F)C=C1 SBB064044 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.25 OCC1=CC=C(Cl)C=C1Cl SBB058556 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.25 OCC1=CC=C(Cl)N=C1Cl SBB089352 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.25 OCC1=CC=C(F)C=C1Cl SBB006607 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 SBB052374 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.176 CC1=C(N)C=C(CO)C=C1 SBB054776 [0,1,0,0,0,1|1,0,0]=3 428 B10R1.176 CC1=CC=C(CCl)C=C1Cl SBB008275 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.176 CC1=CC=C(CN)C=C1C SBB028250 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.176 CC1=CC=C(CN)C=C1F SBB069916 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.176 CC1=CC=C(CO)C=C1C SBB063329 [0,1,0,0,0,1|1,0,0]=3 432 B10R1.176 CC1=CC=C(CO)C=C1Cl SBB008274 [0,1,0,0,0,1|1,0,0]=3 433 B10R1.176 CC1=CC=C(CO)C=C1F SBB086169 [0,1,0,0,0,1|1,0,0]=3 434 B10R1.176 CCC1=CC(C)=C(C)C=C1 SBB061288 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.176 OCC1=CC(=O)C(O)=CO1 SBB005397 [0,1,0,0,0,1|1,0,0]=3 436 B10R1.176 OCC1=CC(Cl)=C(Cl)N=C1 SBB054797 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.176 OCC1=CC=C(Br)C(F)=C1 SBB064812 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.176 OCC1=CC=C(Cl)C(Cl)=C1 SBB058561 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.176 OCC1=CC=C(F)C(Br)=C1 SBB063481 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.176 OCC1=CC=C(F)C(Cl)=C1 SBB087471 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.176 OCC1=CC=C(F)C(F)=C1 SBB064494 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.2 CC1=C(C)C(CN)=CC=C1 SBB017637 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.2 CC1=C(F)C(CBr)=CC=C1 SBB005816 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.2 CC1=C(F)C=CC=C1CO SBB064442 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.2 CC1=C(N)C=CC=C1CO SBB064073 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.2 CCC1=C(O)C(C)=CC=C1 SBB071423 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.2 CCC1=CC=CC(C)=C1I SBB100083 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.2 CCC1=CC=CC(C)=C1N SBB040448 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.2 OCC1=CC=CC(Cl)=C1F SBB087472 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.2 OCC1=CC=CC(F)=C1F SBB063662 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.8 CC1=CC(C)=CC(CBr)=C1 SBB008310 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.8 CC1=CC(C)=CC(CO)=C1 SBB064815 [0,1,0,0,0,1|1,0,0]=3 453 B10R1.8 CC1=CC(C)=NC(CN)=N1 SBB017912 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.8 CC1=CC(CO)=CC(C)=N1 SBB054788 [0,1,0,0,0,1|1,0,0]=3 455 B10R1.8 CC1=CC(F)=CC(CN)=C1 SBB086085 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.8 CC1=CC(F)=CC(CO)=C1 SBB086168 [0,1,0,0,0,1|1,0,0]=3 457 B10R1.8 CCC1=CC(C)=CC(C)=C1 SBB060975 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.8 CCC1=CC(O)=NC(C)=N1 SBB086014 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.8 OCC1=CC(Br)=CC(Br)=C1 SBB064628 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 SBB054763 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.8 OCC1=CC(F)=CC(Cl)=C1 SBB087480 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.8 OCC1=CC(F)=CC(F)=C1 SBB064037 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.8 OCC1=CC(O)=CC(O)=C1 SBB059366 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.10 CC1=CC=CC(CC#N)=C1 SBB068545 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.10 CC1=CC=CC(\C=N/O)=N1 SBB010024 [0,1,0,0,0,1|1,0,1]=4 466 B10R1.10 CCOC1=CC=CC(C)=C1 SBB060989 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.10 CNCC1=NC(C)=CC=C1 SBB110044 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.10 OCCC1=CC(F)=CC=C1 SBB055447 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.30 CC1=C(CO)C=C(F)C=C1 SBB086159 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.30 CC1=CC(CCl)=C(C)C=C1 SBB040679 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.30 CC1=CC(CN)=C(F)C=C1 SBB086091 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.30 CCC1=C(O)C=CC(C)=N1 SBB080737 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.30 CCC1=NC(C)=CC=C1O SBB080762 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.30 NC1=CC=C(F)C(CO)=C1 SBB086192 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.30 NC1=NC=C(Br)C=C1CO SBB054792 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.30 NC1=NC=C(I)C=C1CO SBB065554 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.30 OCC1=C(Cl)C=CC(F)=C1 SBB087468 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.30 OCC1=C(F)C=CC(Cl)=C1 SBB087469 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.30 OCC1=C(F)C=CC(F)=C1 SBB064049 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.30 OCC1=C(O)C=CC(C)=N1 SBB004177 [0,1,0,0,0,1|1,0,0]=3 481 B10R1.30 OCC1=CC(Br)=CC=C1O SBB054777 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.30 OCC1=CC(F)=CC=C1Br SBB063440 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.113 CC(O)C1=CC(N)=CC=C1 SBB008559 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SBB068833 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.113 CC1=CC(B(O)O)=CC=C1 SBB048058 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SBB028459 [0,1,0,0,0,1|1,0,1]=4 487 B10R1.113 CC1=CC(C(=O)O)=NC=C1 SBB053015 [0,1,0,0,0,1|1,0,1]=4 488 B10R1.113 CC1=CC(C(Br)Br)=CC=C1 SBB061660 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.113 CC1=CC=CC(C(=O)O)=C1 SBB040526 [0,1,0,0,0,1|1,0,1]=4 490 B10R1.113 CC1=CC=CC(C(C)C)=C1 SBB061535 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.113 CC1=CC=CC(C(C)N)=C1 SBB046820 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.113 CC1=CN=CC(B(O)O)=C1 SBB071112 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.113 CC1=NC(C(=O)O)=CC=C1 SBB028458 [0,1,0,0,0,1|1,0,1]=4 494 B10R1.113 CC1=NC=CC(C(=O)O)=C1 SBB052953 [0,1,0,0,0,1|1,0,1]=4 495 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SBB064272 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 SBB086151 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.172 BrCC1=CC=CC(CBr)=N1 SBB071671 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.172 COC1=CC(CN)=CC=C1 SBB061735 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.172 COC1=CC(CO)=CC=C1 SBB063359 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.172 COC1=CC=CC(CBr)=C1 SBB054900 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.172 COC1=CC=CC(CCl)=C1 SBB040609 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.172 ClCC1=CC=CC(CCl)=C1 SBB058861 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.172 N#CC1=CC(CO)=CC=C1 SBB065162 [0,1,0,0,0,1|1,0,1]=4 504 B10R1.172 NCC1=CC=CC(CN)=C1 SBB056801 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.172 OCC1=CC=CC(CO)=C1 SBB068549 [0,1,0,0,0,1|1,0,0]=3 506 B10R1.172 OCC1=CC=CC(CO)=N1 SBB065235 [0,1,0,0,0,1|1,0,0]=3 507 B10R1.14 CC1=CC=C(\C(N)=N\O)S1 SBB076714 [0,2,0,0,0,0|0,1,1]=4 508 B10R1.14 COC(=O)C1=CC=C(Br)O1 SBB041085 [0,2,0,0,0,0|1,0,1]=4 509 B10R1.14 COC(=O)C1=CC=C(C)S1 SBB027056 [0,2,0,0,0,0|0,1,1]=4 510 B10R1.16 CC1=CC=C(CCC=O)O1 SBB017913 [0,2,0,0,0,0|0,0,1]=3 511 B10R1.16 CC1=NN(CCCO)C=C1 SBB022864 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.54 CC1=NC(CC(=O)O)=CS1 SBB018923 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.54 CC1=NN(CC(=O)O)C=C1 SBB020235 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.54 CN1C=CC(CC(=O)O)=N1 SBB049500 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.96 CCCC1=CC=C(C=O)O1 SBB302490 [0,2,0,0,0,0|0,0,2]=4 516 B10R1.96 CCCN1C=CC(CO)=N1 SBB073767 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.96 COCC1=CC=C(C=O)O1 SBB019776 [0,2,0,0,0,0|0,0,1]=3 518 B10R1.130 CC1=NN(CCO)C(N)=C1 SBB010284 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.131 CC1=NN(CCO)C=C1Cl SBB022880 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.31 C(=O)C1=CC=C(B(O)O)O1 SBB004171 [0,2,0,0,0,0|1,0,1]=4 521 B10R1.31 CC(=O)C1=CC(CO)=CS1 SBB002902 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.31 CC(C)N1C=CC(CO)=N1 SBB073688 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.31 CCC1=CC=C(C(=O)O)O1 SBB085435 [0,2,0,0,0,0|0,0,1]=3 524 B10R1.31 CCC1=CC=C(C(=O)O)S1 SBB019480 [0,2,0,0,0,0|0,1,1]=4 525 B10R1.31 CCC1=CC=C(C(C)=O)S1 SBB021979 [0,2,0,0,0,0|1,1,0]=4 526 B10R1.31 CN(C)C1=CC=C(C=O)O1 SBB010276 [0,2,0,0,0,0|0,0,2]=4 527 B10R1.31 COC1=CC=C(C(=O)O)S1 SBB023958 [0,2,0,0,0,0|0,1,1]=4 528 B10R1.31 CSC1=CC=C(C(=O)O)S1 SBB002900 [0,2,0,0,0,0|0,1,1]=4 529 B10R1.31 NCC1=CC=C(C(=O)O)O1 SBB010282 [0,2,0,0,0,0|0,0,1]=3 530 B10R1.31 O=C(O)C1=CC=C(CO)O1 SBB047405 [0,2,0,0,0,0|0,0,1]=3 531 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SBB053087 [0,2,0,0,0,0|0,0,2]=4 532 B10R1.31 O=[N+]([O-])C1=CC=C(CBr)O1 SBB000452 [0,2,0,0,0,0|1,0,1]=4 533 B10R1.31 OCC1=NN(C(F)F)C=C1 SBB073445 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.35 CCN1C=C(Br)C(CO)=N1 SBB073790 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.35 CCN1C=C(Cl)C(CO)=N1 SBB073834 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.32 CN1C=C(CO)C(CO)=N1 SBB073757 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.34 CC1=NN(CO)C(C)=C1Br SBB021197 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.34 CC1=NN(CO)C(C)=C1Cl SBB022637 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 SBB302001 [0,2,0,0,0,0|0,1,1]=4 540 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 SBB010283 [0,2,0,0,0,0|1,0,1]=4 541 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 SBB018976 [0,2,0,0,0,0|0,1,1]=4 542 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 SBB009532 [0,2,0,0,0,0|0,1,1]=4 543 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 SBB069102 [0,2,0,0,0,0|1,0,1]=4 544 B8R1.4 O=C1COCC(=O)O1 SBB060695 [0,0,1,1,0,0|2,0,0]=4 545 B8R1.2 OCC1=CC=CC=C1 SBB058558 [0,0,1,1,0,0|1,0,1]=4 546 B8R1.2 OCC1=CC=CN=C1 SBB004344 [0,0,1,1,0,0|2,0,0]=4 547 B8R1.2 OCC1=CC=CN=N1 SBB054829 [0,0,1,1,0,0|2,0,0]=4 548 B8R1.2 OCC1=NC=CC=C1 SBB004348 [0,0,1,1,0,0|1,0,1]=4 549 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [0,0,1,1,0,0|1,0,1]=4 550 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [0,0,1,1,0,0|2,0,0]=4 551 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [0,0,1,1,0,0|2,0,0]=4 552 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [0,0,1,1,0,0|1,0,1]=4 553 B8R1.5 OC1=C(O)N=CC=C1 SBB004333 [0,0,1,1,0,0|1,0,1]=4 554 B8R1.5 OC1=CC=CC=C1O SBB040792 [0,0,1,1,0,0|0,0,2]=4 555 B10R2.178 O=C1C=CC2COC1O2 SBB001542 [0,0,0,1,0,1|1,0,1]=4