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)=NO1 SBB073327 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.1 C(=O)C1=CC=C(C)S1 SBB004249 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.1 C(=O)C1=CC=C(Cl)O1 SBB004223 [0,0,0,0,0,0|1,1,0]=2 4 B8R1.1 C(=O)C1=CC=C(Cl)S1 SBB004100 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.1 C(=O)C1=CC=C(F)S1 SBB027017 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.1 C(=O)C1=CN(C)N=C1 SBB000002 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.1 CC1=CC(C=O)=NO1 SBB052294 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 CC1=CC(CO)=CS1 SBB017457 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.1 CC1=CC=C(C=O)O1 SBB040222 [0,0,0,0,0,0|0,1,0]=1 10 B8R1.1 CC1=CC=C(CN)O1 SBB047770 [0,0,0,0,0,0|1,1,1]=3 11 B8R1.1 CC1=CN=C(C=O)S1 SBB052287 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.1 CC1=CN=C(CO)S1 SBB054807 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.1 CC1=CSC(CO)=N1 SBB054809 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.1 CC1=NC(C#N)=CS1 SBB085571 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CC1=NC(C=O)=CN1 SBB052314 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.1 CC1=NC(C=O)=CS1 SBB085686 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.1 CC1=NC(CCl)=CS1 SBB005574 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 CC1=NC(CCl)=CS1 SBB054934 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.1 CC1=NC(CN)=CS1 SBB052476 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.1 CC1=NC=C(C=O)S1 SBB018895 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.1 CC1=NN=C(NN)S1 SBB014450 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CC1=NNC(C=O)=C1 SBB020823 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.1 CN1C=CC(C#N)=N1 SBB021945 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.1 CN1C=CC(C=O)=N1 SBB020577 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.1 CN1C=CC(CCl)=N1 SBB054941 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.1 CN1C=CC(CN)=N1 SBB020585 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.1 CN1C=CC(CO)=N1 SBB073640 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.1 ClCC1=CN=C(Cl)S1 SBB070711 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.1 N#CC1=CC=C(Br)O1 SBB000174 [0,0,0,0,0,0|2,1,1]=4 31 B8R1.1 N#CC1=CC=C(F)S1 SBB116496 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.1 N#CC1=CN=C(Cl)S1 SBB055802 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.1 N1C=C(C)N=C1CC SBB004334 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.1 NC1=NC=C(C=O)S1 SBB049043 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.1 NC1=NC=C(CO)S1 SBB054810 [0,0,0,0,0,0|2,0,2]=4 36 B8R1.1 NCC1=CC=C(Br)O1 SBB014655 [0,0,0,0,0,0|2,1,1]=4 37 B8R1.1 O=CC1=CC(Br)=CO1 SBB069420 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.1 O=CC1=CC(Br)=CS1 SBB000293 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.1 O=CC1=CC=C(Br)O1 SBB047477 [0,0,0,0,0,0|1,1,0]=2 40 B8R1.1 O=CC1=CC=C(Br)S1 SBB000294 [0,0,0,0,0,0|1,0,0]=1 41 B8R1.1 O=CC1=CC=C(I)O1 SBB039297 [0,0,0,0,0,0|1,1,0]=2 42 B8R1.1 O=CC1=CN=C(Cl)S1 SBB086559 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.1 O=CC1=CSC(Br)=N1 SBB091356 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.1 O=CC1=NC(Br)=CS1 SBB066537 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.1 OCC1=CC=C(Br)S1 SBB068487 [0,0,0,0,0,0|1,0,2]=3 46 B8R1.1 OCC1=CC=C(F)S1 SBB073359 [0,0,0,0,0,0|1,0,2]=3 47 B8R1.1 OCC1=CN=C(Cl)S1 SBB086668 [0,0,0,0,0,0|2,0,2]=4 48 B7R1.1 C#CC1=CC=CS1 SBB008821 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.1 C(=O)C1=CN=CN1 SBB004381 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 C(=O)C1=CN=CN1 SBB004382 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.1 C(=O)C1=CSC=C1 SBB004320 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 CSC1=CC=CS1 SBB085766 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 N#CC1=CC=CN1 SBB067109 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.1 N#CC1=CC=CO1 SBB055776 [1,0,0,0,0,0|1,1,1]=4 55 B7R1.1 N#CC1=CC=CS1 SBB055745 [1,0,0,0,0,0|1,0,1]=3 56 B7R1.1 NCC1=CC=CO1 SBB004376 [1,0,0,0,0,0|1,1,1]=4 57 B7R1.1 NCC1=CC=CS1 SBB004315 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.1 NCC1=CN=CS1 SBB047473 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 NCC1=NC=CS1 SBB052479 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 O=CC1=CC=CN1 SBB004389 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.1 O=CC1=CC=CN1 SBB004390 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.1 O=CC1=CC=CO1 SBB004386 [1,0,0,0,0,0|0,1,0]=2 63 B7R1.1 O=CC1=CC=CS1 SBB004321 [1,0,0,0,0,0|0,0,0]=1 64 B7R1.1 O=CC1=CN=CS1 SBB052293 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.1 O=CC1=CNC=C1 SBB052279 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 O=CC1=CNN=C1 SBB021198 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 O=CC1=COC=C1 SBB004385 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.1 O=CC1=COC=N1 SBB052299 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.1 O=CC1=CSC=N1 SBB047478 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.1 O=CC1=CSN=N1 SBB052333 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 O=CC1=NC=CN1 SBB004383 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 O=CC1=NC=CN1 SBB004384 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 O=CC1=NC=CO1 SBB052295 [1,0,0,0,0,0|1,1,0]=3 74 B7R1.1 O=CC1=NC=CS1 SBB052286 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.1 O=CC1=NNC=C1 SBB052310 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 OCC1=CC=CO1 SBB004373 [1,0,0,0,0,0|0,1,2]=4 77 B7R1.1 OCC1=CC=CS1 SBB058563 [1,0,0,0,0,0|0,0,2]=3 78 B7R1.1 OCC1=CN=CS1 SBB066375 [1,0,0,0,0,0|1,0,2]=4 79 B7R1.1 OCC1=NC=CS1 SBB054805 [1,0,0,0,0,0|1,0,2]=4 80 B7R1.1 SCC1=CC=CO1 SBB004308 [1,0,0,0,0,0|0,2,1]=4 81 B7R1.2 CC1=CC(=O)NO1 SBB055813 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 CC1=CC=C(C)N1 SBB059455 [1,0,0,0,0,0|1,0,1]=3 83 B7R1.2 CC1=CC=C(Cl)S1 SBB054408 [1,0,0,0,0,0|1,0,0]=2 84 B7R1.2 CC1=CN=C(Br)S1 SBB054420 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.2 CC1=CN=C(N)S1 SBB028194 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.2 CC1=CNC(C)=C1 SBB059454 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.2 CC1=COC(N)=N1 SBB051930 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.2 CC1=CSC(Br)=N1 SBB054421 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.2 CC1=CSC(S)=N1 SBB041075 [1,0,0,0,0,0|2,1,0]=4 90 B7R1.2 CC1=NN(C)C=C1 SBB015024 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.2 CC1=NN=C(Br)S1 SBB041010 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.2 CC1=NN=C(Cl)S1 SBB111880 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.2 CC1=NN=C(I)S1 SBB116057 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.2 CC1=NN=C(N)S1 SBB000045 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.2 CC1=NNC(=S)S1 SBB041073 [1,0,0,0,0,0|2,1,0]=4 96 B7R1.2 CN1C=CC(Br)=N1 SBB051488 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.2 CN1C=CC(I)=N1 SBB093951 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.2 CN1C=CC(N)=N1 SBB019460 [1,0,0,0,0,0|3,0,0]=4 99 B7R1.2 IC1=CC=C(I)S1 SBB058942 [1,0,0,0,0,0|2,0,0]=3 100 B7R1.2 N1C=C(C)N=C1C SBB004378 [1,0,0,0,0,0|2,0,1]=4 101 B7R1.2 N1C=C(C)N=C1S SBB059569 [1,0,0,0,0,0|2,1,0]=4 102 B7R1.2 N1N=C(C)CC1=O SBB004372 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.2 NC1=CC=C(S)S1 SBB000065 [1,0,0,0,0,0|1,1,0]=3 104 B7R1.2 NC1=NC(C)=CS1 SBB004307 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.2 NC1=NC=C(Br)S1 SBB000204 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.2 NC1=NC=C(Br)S1 SBB051923 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.2 NC1=NC=C(Cl)S1 SBB003849 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.2 O=C1C=CC(=O)O1 SBB060268 [1,0,0,0,0,0|1,1,0]=3 109 B7R1.2 O=C1CNC(=S)S1 SBB035894 [1,0,0,0,0,0|2,0,1]=4 110 B7R1.2 SC1=NN=C(C)S1 SBB004217 [1,0,0,0,0,0|2,1,0]=4 111 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,1,0,0,0,0|1,0,1]=3 112 B9R1.7 CC1=CC=C(\C=N\O)O1 SBB085593 [0,1,0,0,0,0|0,1,1]=3 113 B9R1.7 CC1=CC=C(\C=N\O)S1 SBB086199 [0,1,0,0,0,0|0,0,1]=2 114 B9R1.7 CC1=CN=C(CCN)S1 SBB027447 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.7 CNCC1=CC=C(C)O1 SBB085300 [0,1,0,0,0,0|1,1,1]=4 116 B9R1.7 CNCC1=CC=C(C)S1 SBB052471 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.7 O\N=C/C1=CC=C(Br)S1 SBB079259 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.7 O\N=C\C1=CC=C(F)S1 SBB073315 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.21 C(=O)C1=CC(CC)=NO1 SBB073356 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004259 [0,1,0,0,0,0|0,1,0]=2 121 B9R1.21 C(=O)C1=CC=C(CO)O1 SBB004260 [0,1,0,0,0,0|0,1,0]=2 122 B9R1.21 C(=O)C1=CN(CC)N=C1 SBB000003 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.21 CCC1=CC=C(C=O)O1 SBB010056 [0,1,0,0,0,0|0,1,0]=2 124 B9R1.21 CCC1=CC=C(C=O)S1 SBB028644 [0,1,0,0,0,0|0,0,0]=1 125 B9R1.21 CCN1C=CC(C=O)=N1 SBB017363 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.21 CSC1=CC=C(C=O)S1 SBB087319 [0,1,0,0,0,0|0,0,0]=1 127 B9R1.21 O=CC1=CC(CCl)=CS1 SBB002904 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.21 O=CC1=CC=C(C=O)S1 SBB000080 [0,1,0,0,0,0|0,0,1]=2 129 B9R1.22 CC1=CC(C)=C(C=O)N1 SBB066755 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.22 CC1=CC(C=O)=C(C)S1 SBB009464 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.22 CC1=CN(C)C(C=O)=N1 SBB073495 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.22 CC1=CN(C)N=C1C=O SBB073804 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.22 CC1=NC(C)=C(C=O)S1 SBB086201 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.22 CC1=NC(C)=C(CO)S1 SBB054806 [0,1,0,0,0,0|1,0,2]=4 135 B9R1.22 CC1=NN(C)C(C=O)=C1 SBB017345 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.22 CC1=NN(C)C=C1C=O SBB000017 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.22 CN1C=C(Br)C(C=O)=N1 SBB020579 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.22 CN1C=C(Cl)C(C=O)=N1 SBB020578 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.22 NC1=NC(Cl)=C(C=O)S1 SBB066502 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.22 O=CC1=C(Cl)N=C(Cl)S1 SBB052291 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.23 C(=O)C1=CC(Br)=C(Br)S1 SBB003040 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.23 C(=O)C1=CC(C)=C(C)S1 SBB005570 [0,1,0,0,0,0|0,0,0]=1 143 B9R1.23 CC1=C(Br)C=C(C=O)S1 SBB019870 [0,1,0,0,0,0|0,0,0]=1 144 B9R1.23 CC1=C(C)SC(C=O)=N1 SBB110188 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.23 CC1=C(C)SC(NN)=N1 SBB010296 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.23 CC1=CC(C=O)=NN1C SBB021202 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.23 O=CC1=CC(Br)=C(Br)O1 SBB052273 [0,1,0,0,0,0|1,1,0]=3 148 B9R1.35 CC(=O)C1=CC(Br)=CS1 SBB022006 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.35 CC(=O)C1=CC=C(Br)S1 SBB058398 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,1,0,0,0,0|0,1,0]=2 152 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,1,0,0,0,0|0,0,0]=1 153 B9R1.35 CC(=O)C1=CC=C(Cl)S1 SBB066389 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.35 CC(=O)C1=CC=C(F)S1 SBB073293 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.35 CC(=O)C1=CC=C(I)S1 SBB101059 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.35 CC(=O)C1=CN(C)N=C1 SBB020594 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.35 CC(=O)C1=CN=C(N)O1 SBB072544 [0,1,0,0,0,0|2,1,0]=4 158 B9R1.35 CC(=O)C1=CSC(C)=N1 SBB109134 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.35 CC(=O)C1=CSC(N)=N1 SBB066604 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.35 CC(=O)C1=NN(C)C=C1 SBB021677 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.35 CC(O)C1=CC=C(F)S1 SBB073298 [0,1,0,0,0,0|1,0,2]=4 162 B9R1.35 CC1=CC(C(=O)Cl)=NO1 SBB005468 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.35 CC1=CC(C(=O)O)=CS1 SBB009287 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.35 CC1=CC(C(=O)O)=NN1 SBB019482 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.35 CC1=CC(C(=O)O)=NO1 SBB005437 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 CC1=CC(C(N)=O)=NO1 SBB085636 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.35 CC1=CC=C(B(O)O)O1 SBB004261 [0,1,0,0,0,0|1,1,1]=4 168 B9R1.35 CC1=CC=C(B(O)O)S1 SBB004150 [0,1,0,0,0,0|1,0,1]=3 169 B9R1.35 CC1=CC=C(C(=O)Cl)O1 SBB017922 [0,1,0,0,0,0|0,1,0]=2 170 B9R1.35 CC1=CC=C(C(=O)Cl)S1 SBB087488 [0,1,0,0,0,0|0,0,0]=1 171 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,1,0,0,0,0|0,1,0]=2 172 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,1,0,0,0,0|1,1,1]=4 173 B9R1.35 CC1=CN=C(C(=O)O)S1 SBB053120 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.35 CC1=CSC(C(=O)O)=C1 SBB017915 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.35 CC1=CSC(C(=O)O)=N1 SBB053102 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.35 CC1=NC(C(=O)O)=CO1 SBB019457 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.35 CC1=NC(C(=O)O)=CS1 SBB053121 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.35 CC1=NC([N+](=O)[O-])=CN1 SBB056839 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.35 CC1=NC=C(C(=O)O)S1 SBB053124 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.35 CC1=NN(C(N)=O)C=C1 SBB006629 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.35 CC1=NNC(C(=O)O)=N1 SBB028126 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.35 CC1=NNC(C(N)=O)=C1 SBB085599 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.35 CC1=NOC(C(=O)O)=C1 SBB007337 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.35 CN1C=C(C(=O)Cl)C=N1 SBB010302 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.35 CN1C=C(C(=O)O)C=N1 SBB000052 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.35 CN1C=CC(C(=O)Cl)=N1 SBB020287 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.35 CN1C=CC(C(=O)O)=N1 SBB000008 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.35 CN1C=CC(C(N)=O)=N1 SBB073475 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.35 CN1C=CC([N+](=O)[O-])=N1 SBB019459 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.35 CN1C=NC(C(=O)O)=C1 SBB013834 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.35 N=C(N)C1=CC=C(Br)S1 SBB079038 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.35 NC(=O)C1=CC=C(Br)O1 SBB050272 [0,1,0,0,0,0|1,1,0]=3 193 B9R1.35 NC(=O)C1=CC=C(Br)S1 SBB050273 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.35 NC(=O)C1=CC=C(Cl)S1 SBB087552 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.35 NC(=O)C1=CC=C(F)S1 SBB116495 [0,1,0,0,0,0|1,0,0]=2 196 B9R1.35 NC1=NC(C(=O)O)=CO1 SBB053190 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.35 NC1=NC(C(=O)O)=CS1 SBB010300 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.35 NC1=NC=C(C(=O)O)S1 SBB066572 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 SBB028275 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 SBB067945 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.35 O=C(Cl)C1=CC=C(F)S1 SBB116494 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.35 O=C(O)C1=CC(Br)=CS1 SBB020811 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.35 O=C(O)C1=CC=C(Br)O1 SBB003644 [0,1,0,0,0,0|1,1,0]=3 204 B9R1.35 O=C(O)C1=CC=C(Br)S1 SBB053058 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.35 O=C(O)C1=CC=C(F)S1 SBB023956 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.35 O=C(O)C1=CC=C(I)O1 SBB039298 [0,1,0,0,0,0|1,1,0]=3 207 B9R1.35 O=C(O)C1=CN=C(Br)S1 SBB053123 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.35 O=C(O)C1=CN=C(Cl)S1 SBB053137 [0,1,0,0,0,0|2,0,0]=3 209 B9R1.35 O=C(O)C1=CNC(O)=N1 SBB017908 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.35 O=C(O)C1=CSC(Br)=N1 SBB053103 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 SBB057965 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 SBB073590 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.35 O=[N+]([O-])C1=CN=C(Br)S1 SBB054422 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.35 O=[N+]([O-])C1=CN=C(Cl)S1 SBB077208 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.35 OB(O)C1=CC=C(Cl)S1 SBB003942 [0,1,0,0,0,0|2,0,1]=4 216 B9R1.35 OB(O)C1=CC=C(F)S1 SBB073344 [0,1,0,0,0,0|2,0,1]=4 217 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,1,0,0,0,0|0,0,0]=1 218 B9R1.35 OC(=O)C1=CC=C(Cl)S1 SBB003937 [0,1,0,0,0,0|1,0,0]=2 219 B9R1.132 CC1=C(C=O)C=NN1C SBB000016 [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|2,0,1]=4 221 B9R1.132 CC1=CN=C(C=O)N1C SBB073494 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.132 CC1=NC=C(C=O)N1C SBB046710 [0,1,0,0,0,0|2,0,0]=3 223 B7R0.4 C\C=C\C=C\C(=O)O SBB060282 [0,0,1,0,0,0|2,1,0]=4 224 B9R1.1 C(=O)C1=CC=C(Cl)N=C1 SBB004157 [0,0,0,0,0,1|2,0,0]=3 225 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [0,0,0,0,0,1|2,0,1]=4 226 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [0,0,0,0,0,1|2,0,1]=4 227 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [0,0,0,0,0,1|2,0,1]=4 228 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [0,0,0,0,0,1|1,0,2]=4 229 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [0,0,0,0,0,1|1,1,1]=4 230 B9R1.1 CC1=CC=C(NN)N=N1 SBB055937 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.1 CC1=CN=C(C#N)C=C1 SBB055740 [0,0,0,0,0,1|2,0,1]=4 232 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [0,0,0,0,0,1|1,0,0]=2 233 B9R1.1 CC1=NC=C(C#N)C=C1 SBB065528 [0,0,0,0,0,1|2,0,1]=4 234 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [0,0,0,0,0,1|1,0,0]=2 235 B9R1.1 CC1=NC=C(C=O)C=N1 SBB010235 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [0,0,0,0,0,1|2,0,1]=4 237 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.1 NC1=NC=C(C=O)C=N1 SBB069046 [0,0,0,0,0,1|3,0,0]=4 239 B9R1.1 O=CC1=CC=C(Br)C=C1 SBB007609 [0,0,0,0,0,1|2,0,0]=3 240 B9R1.1 O=CC1=CC=C(Cl)C=C1 SBB040227 [0,0,0,0,0,1|2,0,0]=3 241 B9R1.1 O=CC1=CC=C(F)C=C1 SBB040209 [0,0,0,0,0,1|2,0,0]=3 242 B9R1.1 O=CC1=CC=C(F)N=C1 SBB052255 [0,0,0,0,0,1|2,0,0]=3 243 B9R1.1 O=CC1=CC=C(I)C=C1 SBB062822 [0,0,0,0,0,1|2,0,0]=3 244 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.1 O=CC1=CC=C(O)N=C1 SBB052249 [0,0,0,0,0,1|2,0,0]=3 246 B9R1.1 O=CC1=CN=C(Br)C=C1 SBB052244 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.1 O=CC1=NC=C(Br)C=C1 SBB052231 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.1 O=CC1=NC=C(Cl)C=C1 SBB086215 [0,0,0,0,0,1|2,0,0]=3 249 B9R1.1 O=CC1=NC=C(F)C=C1 SBB065526 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.2 C(=O)C1=CC=CC(C)=N1 SBB004287 [0,0,0,0,0,1|1,0,0]=2 252 B9R1.2 CC1=CC(C#N)=NC=C1 SBB055617 [0,0,0,0,0,1|2,0,1]=4 253 B9R1.2 CC1=CC(C=O)=NC=C1 SBB052226 [0,0,0,0,0,1|1,0,0]=2 254 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [0,0,0,0,0,1|2,0,1]=4 255 B9R1.2 CC1=CC=CC(C#N)=C1 SBB059209 [0,0,0,0,0,1|2,0,1]=4 256 B9R1.2 CC1=CC=CC(CBr)=C1 SBB054906 [0,0,0,0,0,1|2,0,1]=4 257 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [0,0,0,0,0,1|2,0,1]=4 258 B9R1.2 CC1=CC=CC(CCl)=C1 SBB040670 [0,0,0,0,0,1|2,0,1]=4 259 B9R1.2 CC1=CC=CC(CN)=C1 SBB048016 [0,0,0,0,0,1|2,0,1]=4 260 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [0,0,0,0,0,1|2,0,1]=4 261 B9R1.2 CC1=CC=CC(CO)=C1 SBB064816 [0,0,0,0,0,1|1,0,2]=4 262 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [0,0,0,0,0,1|1,0,2]=4 263 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [0,0,0,0,0,1|1,1,1]=4 264 B9R1.2 CC1=CN=CC(C#N)=C1 SBB065284 [0,0,0,0,0,1|2,0,1]=4 265 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [0,0,0,0,0,1|2,0,1]=4 266 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [0,0,0,0,0,1|2,0,1]=4 267 B9R1.2 COC1=CC=CC(C)=C1 SBB061028 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.2 CSC1=NC(C)=CC=N1 SBB086177 [0,0,0,0,0,1|3,0,0]=4 269 B9R1.2 O=CC1=CC(Br)=CN=C1 SBB052232 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.2 O=CC1=CC(Br)=NC=C1 SBB052237 [0,0,0,0,0,1|2,0,0]=3 271 B9R1.2 O=CC1=CC(Cl)=NC=C1 SBB052242 [0,0,0,0,0,1|2,0,0]=3 272 B9R1.2 O=CC1=CC=CC(Br)=C1 SBB028648 [0,0,0,0,0,1|2,0,0]=3 273 B9R1.2 O=CC1=CC=CC(Cl)=C1 SBB040204 [0,0,0,0,0,1|2,0,0]=3 274 B9R1.2 O=CC1=CC=CC(F)=C1 SBB040273 [0,0,0,0,0,1|2,0,0]=3 275 B9R1.2 O=CC1=CC=CC(I)=C1 SBB064701 [0,0,0,0,0,1|2,0,0]=3 276 B9R1.2 O=CC1=CC=CC(O)=C1 SBB040208 [0,0,0,0,0,1|2,0,0]=3 277 B9R1.2 O=CC1=CN=CC(F)=C1 SBB065432 [0,0,0,0,0,1|2,0,0]=3 278 B9R1.2 O=CC1=NC(Br)=CC=C1 SBB052238 [0,0,0,0,0,1|2,0,0]=3 279 B9R1.2 O=CC1=NC(Cl)=CC=C1 SBB052254 [0,0,0,0,0,1|2,0,0]=3 280 B6R0.1 C=CC(=O)OCC SBB060348 [1,0,1,0,0,0|0,1,1]=4 281 B6R0.2 C=C(C)OC(C)=O SBB056824 [1,0,1,0,0,0|0,1,1]=4 282 B6R0.4 CC\C=C\C(=O)O SBB061994 [1,0,1,0,0,0|0,1,1]=4 283 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,1,0,0,0|0,0,2]=4 284 B6R1.2 BrC1=CC=CO1 SBB054415 [2,0,0,0,0,0|1,1,0]=4 285 B6R1.2 BrC1=CC=CS1 SBB003931 [2,0,0,0,0,0|1,0,0]=3 286 B6R1.2 BrC1=CC=NS1 SBB027176 [2,0,0,0,0,0|2,0,0]=4 287 B6R1.2 BrC1=CN=CS1 SBB054428 [2,0,0,0,0,0|2,0,0]=4 288 B6R1.2 BrC1=NC=CS1 SBB003918 [2,0,0,0,0,0|2,0,0]=4 289 B6R1.2 CC1=CN=CS1 SBB055804 [2,0,0,0,0,0|1,0,0]=3 290 B6R1.2 CC1=NC=CN1 SBB040944 [2,0,0,0,0,0|2,0,0]=4 291 B6R1.2 CC1=NNC=C1 SBB004404 [2,0,0,0,0,0|2,0,0]=4 292 B6R1.2 CN1C=CC=N1 SBB013729 [2,0,0,0,0,0|2,0,0]=4 293 B6R1.2 ClC1=NC=CS1 SBB054425 [2,0,0,0,0,0|2,0,0]=4 294 B6R1.2 FC1=CC=CS1 SBB073288 [2,0,0,0,0,0|1,0,0]=3 295 B6R1.2 IC1=CC=CS1 SBB054409 [2,0,0,0,0,0|1,0,0]=3 296 B6R1.2 NC1=CN=CS1 SBB069743 [2,0,0,0,0,0|2,0,0]=4 297 B6R1.2 NC1=NC=CS1 SBB000070 [2,0,0,0,0,0|2,0,0]=4 298 B6R1.2 NC1=NC=CS1 SBB028135 [2,0,0,0,0,0|2,0,0]=4 299 B6R1.2 O=C1C=CCO1 SBB040281 [2,0,0,0,0,0|0,1,1]=4 300 B6R1.2 O=C1NC=CN1 SBB071638 [2,0,0,0,0,0|2,0,0]=4 301 B6R1.2 SC1=CC=CS1 SBB059094 [2,0,0,0,0,0|0,1,0]=3 302 B6R1.2 SC1=NC=CS1 SBB066357 [2,0,0,0,0,0|1,1,0]=4 303 B8R0.23 C=C(NC(C)=O)C(=O)O SBB072716 [0,1,1,0,0,0|2,0,0]=4 304 B8R0.28 CC(=O)\C=C\C=C(C)C SBB008066 [0,1,1,0,0,0|1,0,0]=3 305 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [1,1,0,0,0,0|1,0,0]=3 306 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [1,1,0,0,0,0|0,1,0]=3 307 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [1,1,0,0,0,0|0,0,0]=2 308 B8R1.7 CC(=O)C1=CC=NN1 SBB086523 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.7 CC(=O)C1=CSC=C1 SBB048022 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.7 CC(=O)C1=NC=CS1 SBB085685 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.7 CN(C)C1=CC=CS1 SBB059107 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.7 N1C=CN=C1C(N)=O SBB059724 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.7 NC(=O)C1=CC=CO1 SBB028188 [1,1,0,0,0,0|0,1,0]=3 315 B8R1.7 NC(=O)C1=CC=CS1 SBB028227 [1,1,0,0,0,0|0,0,0]=2 316 B8R1.7 NC(=O)C1=CNC=N1 SBB055865 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.7 NC(=O)C1=NNC=C1 SBB027110 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.7 NC(=S)C1=CC=CO1 SBB055768 [1,1,0,0,0,0|0,2,0]=4 319 B8R1.7 NC(=S)C1=CC=CS1 SBB016501 [1,1,0,0,0,0|0,1,0]=3 320 B8R1.7 O=C(Cl)C1=CC=CO1 SBB004224 [1,1,0,0,0,0|0,1,0]=3 321 B8R1.7 O=C(Cl)C1=CC=CS1 SBB004099 [1,1,0,0,0,0|0,0,0]=2 322 B8R1.7 O=C(Cl)C1=CC=NO1 SBB005469 [1,1,0,0,0,0|1,1,0]=4 323 B8R1.7 O=C(Cl)C1=CSC=C1 SBB053641 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.7 O=C(Cl)C1=CSC=N1 SBB053647 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.7 O=C(Cl)C1=NC=CS1 SBB053646 [1,1,0,0,0,0|1,0,0]=3 326 B8R1.7 O=C(O)C1=CC=CN1 SBB004332 [1,1,0,0,0,0|1,0,0]=3 327 B8R1.7 O=C(O)C1=CC=CO1 SBB004324 [1,1,0,0,0,0|0,1,0]=3 328 B8R1.7 O=C(O)C1=CC=CS1 SBB004241 [1,1,0,0,0,0|0,0,0]=2 329 B8R1.7 O=C(O)C1=CC=NO1 SBB004319 [1,1,0,0,0,0|1,1,0]=4 330 B8R1.7 O=C(O)C1=CC=NS1 SBB013118 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.7 O=C(O)C1=CN=CN1 SBB004323 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.7 O=C(O)C1=CN=CO1 SBB053191 [1,1,0,0,0,0|1,1,0]=4 333 B8R1.7 O=C(O)C1=CN=CS1 SBB065748 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.7 O=C(O)C1=COC=C1 SBB004325 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.7 O=C(O)C1=COC=N1 SBB053171 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.7 O=C(O)C1=CSC=C1 SBB004240 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.7 O=C(O)C1=CSC=N1 SBB010166 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.7 O=C(O)C1=NC=CN1 SBB010014 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.7 O=C(O)C1=NC=CS1 SBB053122 [1,1,0,0,0,0|1,0,0]=3 340 B8R1.7 O=C(O)C1=NNC=C1 SBB000005 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.7 O=C(O)C1=NOC=C1 SBB065956 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.7 O=[N+]([O-])C1=CC=CS1 SBB040890 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.7 OB(O)C1=CC=CS1 SBB004243 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.8 CCCC1=CC=CS1 SBB073407 [1,1,0,0,0,0|1,0,1]=4 345 B8R1.8 N#CCC1=CC=CS1 SBB055746 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.8 NCCC1=CC=CS1 SBB013250 [1,1,0,0,0,0|1,0,1]=4 347 B8R1.8 NCCC1=CC=CS1 SBB013650 [1,1,0,0,0,0|1,0,1]=4 348 B8R1.8 O=C=NC1=CC=CS1 SBB054891 [1,1,0,0,0,0|0,0,1]=3 349 B8R1.8 OCCC1=CC=CS1 SBB062831 [1,1,0,0,0,0|0,0,2]=4 350 B8R1.11 C(=O)C1=C(C)C=NN1 SBB027085 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.11 C(=O)C1=NC=CN1C SBB004338 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.11 CC1=C(C#N)SC=C1 SBB055764 [1,1,0,0,0,0|1,0,1]=4 353 B8R1.11 CC1=C(C=O)C=CO1 SBB052277 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.11 CC1=C(C=O)NC=N1 SBB052313 [1,1,0,0,0,0|2,0,0]=4 355 B8R1.11 CC1=C(C=O)SC=C1 SBB040199 [1,1,0,0,0,0|0,0,0]=2 356 B8R1.11 CC1=C(C=O)SC=N1 SBB052288 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.11 CC1=C(C=O)SN=N1 SBB085721 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.11 CC1=C(CN)SC=C1 SBB028229 [1,1,0,0,0,0|1,0,1]=4 359 B8R1.11 CN1C=CC=C1C=O SBB040239 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.11 CN1C=NC=C1C=O SBB010122 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.11 CN1N=CC=C1C=O SBB017366 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.11 N#CC1=C(Br)C=CS1 SBB090686 [1,1,0,0,0,0|1,0,1]=4 363 B8R1.11 O=CC1=C(Br)C=CO1 SBB067497 [1,1,0,0,0,0|0,1,0]=3 364 B8R1.11 O=CC1=C(Br)C=CS1 SBB052262 [1,1,0,0,0,0|0,0,0]=2 365 B8R1.11 O=CC1=CSC=C1Br SBB091234 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.18 CC1=C(C)OC(=O)O1 SBB017270 [1,1,0,0,0,0|1,1,0]=4 367 B8R1.18 CC1=C(C)SC(Br)=N1 SBB110187 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.18 CC1=C(C)SC(N)=N1 SBB003911 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.18 CC1=C(C)SC(N)=N1 SBB028421 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.18 CC1=C(C)SC(N)=N1 SBB037835 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.18 CC1=C(C)SC(S)=N1 SBB059522 [1,1,0,0,0,0|1,1,0]=4 372 B8R1.18 CC1=NC(C)=C(Br)S1 SBB054427 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.18 ClC1=CC(Br)=C(Cl)S1 SBB097839 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.18 ClC1=CC(Cl)=C(Cl)S1 SBB058331 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.50 CC1=CC=C(C)N1N SBB059489 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [0,1,0,0,0,1|1,0,0]=3 377 B10R1.1 CC1=CC=C(N=C=O)C=C1 SBB061737 [0,1,0,0,0,1|1,0,1]=4 378 B10R1.1 CC1=CC=C(NC=O)C=C1 SBB085897 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.3 C#CC1=CC=C(C=O)C=C1 SBB064928 [0,1,0,0,0,1|1,0,1]=4 382 B10R1.3 C(=O)C1=CC=C(C#N)C=C1 SBB008634 [0,1,0,0,0,1|1,0,1]=4 383 B10R1.3 C(=O)C1=CC=C(C=O)C=C1 SBB012343 [0,1,0,0,0,1|1,0,1]=4 384 B10R1.3 CCC1=CC=C(C=O)C=C1 SBB040197 [0,1,0,0,0,1|1,0,0]=3 385 B10R1.3 CNC1=NC=C(C=O)C=N1 SBB303398 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.3 COC1=CC=C(C=O)C=C1 SBB040224 [0,1,0,0,0,1|1,0,0]=3 387 B10R1.3 COC1=CC=C(C=O)C=N1 SBB052248 [0,1,0,0,0,1|1,0,0]=3 388 B10R1.3 COC1=NC=C(C=O)C=N1 SBB018979 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.3 CSC1=CC=C(C=O)C=C1 SBB040212 [0,1,0,0,0,1|1,0,0]=3 390 B10R1.3 CSC1=NC=C(C=O)C=N1 SBB018978 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SBB040244 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SBB055637 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [0,1,0,0,0,1|1,0,0]=3 394 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [0,1,0,0,0,1|1,0,0]=3 395 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 SBB040243 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SBB055593 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.13 CC(=O)C1=CC=C(F)C=C1 SBB040257 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SBB058956 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SBB040278 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SBB040251 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.13 CC1=CC=C(C(=N)N)C=C1 SBB088463 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 SBB058746 [0,1,0,0,0,1|1,0,0]=3 403 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SBB040516 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.13 CC1=CC=C(C(=O)O)C=N1 SBB006666 [0,1,0,0,0,1|1,0,0]=3 405 B10R1.13 CC1=CC=C(C(N)=O)C=C1 SBB007862 [0,1,0,0,0,1|1,0,0]=3 406 B10R1.13 CC1=CC=C(C(N)=S)C=C1 SBB016502 [0,1,0,0,0,1|1,1,0]=4 407 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SBB055742 [0,1,0,0,0,1|1,1,0]=4 408 B10R1.13 CC1=CN=C(C(=O)O)C=C1 SBB052876 [0,1,0,0,0,1|1,0,0]=3 409 B10R1.13 CC1=NC=C(C(=O)O)C=N1 SBB053220 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SBB006622 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.13 CC1=NC=C(C(N)=O)C=C1 SBB028251 [0,1,0,0,0,1|1,0,0]=3 412 B10R1.13 NC(=O)C1=CC=C(Cl)N=N1 SBB055933 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SBB086057 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SBB028159 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.13 NC(=O)C1=CC=C(N)N=C1 SBB051875 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.13 NC(=O)C1=CC=C(O)C=C1 SBB058350 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 SBB028323 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.13 NC1=CC=C(C(=O)O)C=C1 SBB058665 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.13 NC1=CC=C(C(=O)O)C=N1 SBB004186 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.13 NC1=CC=C(C(=O)O)N=C1 SBB028257 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.13 NC1=CC=C(C(=O)O)N=N1 SBB053237 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 SBB058718 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 SBB058751 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 SBB053629 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 SBB040628 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 SBB087392 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 SBB069729 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 SBB040519 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 SBB028529 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 SBB040517 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.13 O=C(O)C1=CC=C(Cl)C=N1 SBB062819 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 SBB004004 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 SBB053231 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SBB008568 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.13 O=C(O)C1=CC=C(F)N=C1 SBB065228 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.13 O=C(O)C1=CC=C(I)C=C1 SBB063146 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.13 O=C(O)C1=CC=C(O)N=C1 SBB004181 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 SBB028530 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.13 O=C(O)C1=CN=C(S)C=C1 SBB004027 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.13 O=C(O)C1=NC=C(F)C=C1 SBB065401 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SBB052998 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.13 O=C1C=CC(C(=O)Cl)=CO1 SBB053673 [0,1,0,0,0,1|1,1,0]=4 443 B10R1.13 O=C1C=CC(C(=O)O)=NN1 SBB007399 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.13 O=C1C=CC(C(=O)O)=NN1 SBB053229 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.13 OC(=O)C1=COC(=O)C=C1 SBB004170 [0,1,0,0,0,1|1,1,0]=4 446 B10R1.25 C(=O)C1=C(Cl)C=C(F)C=C1 SBB003983 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.25 C(=O)C1=C(F)C=C(Cl)C=C1 SBB003985 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.25 CC1=CC(C)=C(C=O)C=C1 SBB058778 [0,1,0,0,0,1|1,0,0]=3 449 B10R1.25 CC1=CC(Cl)=NC=C1C=O SBB069020 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.25 CC1=CC(F)=CC=C1C=O SBB052157 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.25 CC1=CC=C(C=O)C(Br)=C1 SBB064054 [0,1,0,0,0,1|1,0,0]=3 452 B10R1.25 CC1=CC=C(C=O)C(Cl)=C1 SBB052218 [0,1,0,0,0,1|1,0,0]=3 453 B10R1.25 CC1=CC=C(C=O)C(F)=C1 SBB063769 [0,1,0,0,0,1|1,0,0]=3 454 B10R1.25 CC1=CC=C(C=O)C(O)=C1 SBB052148 [0,1,0,0,0,1|1,0,0]=3 455 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 SBB004014 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.25 O=CC1=CC=C(Br)C=C1F SBB063396 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.25 O=CC1=CC=C(Br)C=C1O SBB052189 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.25 O=CC1=CC=C(Cl)C=C1Cl SBB040230 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.25 O=CC1=CC=C(Cl)C=C1O SBB052140 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl SBB062767 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.25 O=CC1=CC=C(F)C=C1Br SBB062999 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.25 O=CC1=CC=C(F)C=C1F SBB063157 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.25 O=CC1=CC=C(F)C=C1O SBB052162 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.25 O=CC1=CC=C(O)C=C1F SBB065071 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.25 O=CC1=CC=C(O)C=C1O SBB040226 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.176 C(=O)C1=CC(Cl)=C(F)C=C1 SBB003984 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.176 C(=O)C1=CC(F)=C(Cl)C=C1 SBB003986 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.176 C(=O)C1=CC=C(C)C(F)=C1 SBB086003 [0,1,0,0,0,1|1,0,0]=3 469 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 SBB087089 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.176 CC1=CC(C=O)=CC=C1F SBB063863 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.176 CC1=CC=C(C=O)C=C1C SBB063355 [0,1,0,0,0,1|1,0,0]=3 472 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 SBB016342 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.176 O=CC1=CC(F)=C(O)C=C1 SBB048182 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.176 O=CC1=CC=C(Br)C(F)=C1 SBB064036 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 SBB058416 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.176 O=CC1=CC=C(F)C(F)=C1 SBB063182 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.176 O=CC1=CC=C(O)C(Br)=C1 SBB063051 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.176 O=CC1=CC=C(O)C(Cl)=C1 SBB005887 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.176 O=CC1=CC=C(O)C(O)=C1 SBB040269 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.2 C(=O)C1=C(Cl)C(Cl)=CC=C1 SBB003792 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.2 C(=O)C1=C(F)C(Cl)=CC=C1 SBB003987 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.2 C(=O)C1=C(F)C(F)=CC=C1 SBB006572 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.2 CC1=C(C)C(C=O)=CC=C1 SBB060150 [0,1,0,0,0,1|1,0,0]=3 484 B10R1.2 CC1=C(C)C(C=O)=CC=C1 SBB062996 [0,1,0,0,0,1|1,0,0]=3 485 B10R1.2 CC1=C(F)C(C=O)=CC=C1 SBB064504 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.2 CC1=C(F)C=CC=C1C=O SBB052190 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.2 CC1=C(O)C(C=O)=CC=C1 SBB068759 [0,1,0,0,0,1|1,0,0]=3 488 B10R1.2 O=CC1=C(F)C(Cl)=NC=C1 SBB065417 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.2 O=CC1=C(F)C(Cl)=NC=C1 SBB089326 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.2 O=CC1=CC=CC(F)=C1O SBB068760 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.2 OC1=CC=CC(C=O)=C1O SBB004190 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.8 CC1=CC(C)=CC(C=O)=C1 SBB063352 [0,1,0,0,0,1|1,0,0]=3 493 B10R1.8 CC1=CC(F)=CC(C=O)=C1 SBB064351 [0,1,0,0,0,1|1,0,0]=3 494 B10R1.8 O=CC1=CC(Br)=CC(Br)=C1 SBB062920 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 SBB063815 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.8 O=CC1=CC(F)=CC(Cl)=C1 SBB064508 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.8 O=CC1=CC(F)=CC(F)=C1 SBB052160 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.8 O=CC1=CC(O)=CC(O)=C1 SBB063018 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.10 CC1=CC(N=C=O)=CC=C1 SBB064239 [0,1,0,0,0,1|1,0,1]=4 500 B10R1.10 CC1=CC=CC(\C=N/O)=N1 SBB010024 [0,1,0,0,0,1|1,0,1]=4 501 B10R1.30 C(=O)C1=C(C)C=CC(C)=C1 SBB008435 [0,1,0,0,0,1|1,0,0]=3 502 B10R1.30 C(=O)C1=C(Cl)C=CC(Cl)=C1 SBB003793 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.30 C(=O)C1=C(F)C=CC(F)=C1 SBB006570 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.30 CC1=CC=C(F)C(C=O)=C1 SBB063764 [0,1,0,0,0,1|1,0,0]=3 505 B10R1.30 CC1=CC=C(F)C=C1C=O SBB064371 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.30 CC1=CC=C(O)C(C=O)=C1 SBB063013 [0,1,0,0,0,1|1,0,0]=3 507 B10R1.30 NC1=CC=C(Br)C=C1C=O SBB092543 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.30 NC1=CC=C(Cl)C=C1C=O SBB063929 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.30 O=CC1=C(Br)C=NC(Br)=C1 SBB102858 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 SBB040272 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.30 O=CC1=C(F)C=CC(Br)=N1 SBB093206 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 SBB016339 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 SBB004013 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.30 O=CC1=C(O)C=CC(I)=C1 SBB035854 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.30 O=CC1=CC(Br)=CC=C1Br SBB063082 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.30 O=CC1=CC(Cl)=CC=C1F SBB063766 [0,1,0,0,0,1|2,0,0]=4 517 B10R1.30 O=CC1=CC(F)=CC=C1Br SBB052173 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.30 O=CC1=CC(F)=CC=C1Cl SBB063392 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.30 O=CC1=CC(F)=CC=C1O SBB064409 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.30 O=CC1=CC(I)=CC=C1F SBB063108 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.30 O=CC1=CC(O)=CC=C1Br SBB063077 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.30 O=CC1=CC(O)=CC=C1O SBB052127 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 SBB040258 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 SBB055121 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SBB055594 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.113 CC(=O)C1=CC=CC(C)=C1 SBB061772 [0,1,0,0,0,1|1,0,0]=3 527 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SBB068974 [0,1,0,0,0,1|1,0,0]=3 528 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SBB063564 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SBB058713 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SBB040280 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 SBB054319 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 SBB065468 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 SBB055630 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.113 CC1=CC(C(=O)O)=CN=C1 SBB028459 [0,1,0,0,0,1|1,0,0]=3 535 B10R1.113 CC1=CC(C(=O)O)=NC=C1 SBB053015 [0,1,0,0,0,1|1,0,0]=3 536 B10R1.113 CC1=CC(C(N)=O)=CC=C1 SBB007861 [0,1,0,0,0,1|1,0,0]=3 537 B10R1.113 CC1=CC(C(N)=O)=CN=C1 SBB069884 [0,1,0,0,0,1|1,0,0]=3 538 B10R1.113 CC1=CC(C(N)=O)=NC=C1 SBB055569 [0,1,0,0,0,1|1,0,0]=3 539 B10R1.113 CC1=CC(C(N)=S)=NC=C1 SBB055720 [0,1,0,0,0,1|1,1,0]=4 540 B10R1.113 CC1=CC([N+](=O)[O-])=CN=C1 SBB065360 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 SBB058758 [0,1,0,0,0,1|1,0,0]=3 542 B10R1.113 CC1=CC=CC(C(=O)O)=C1 SBB040526 [0,1,0,0,0,1|1,0,0]=3 543 B10R1.113 CC1=CC=CC(C(N)=S)=C1 SBB086796 [0,1,0,0,0,1|1,1,0]=4 544 B10R1.113 CC1=NC(C(=O)O)=CC=C1 SBB028458 [0,1,0,0,0,1|1,0,0]=3 545 B10R1.113 CC1=NC=CC(C(=O)O)=C1 SBB052953 [0,1,0,0,0,1|1,0,0]=3 546 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 SBB019157 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 SBB000182 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 SBB085963 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 SBB017264 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 SBB016898 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.113 NC(=O)C1=CC(Br)=NC=C1 SBB028413 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SBB009893 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.113 NC(=O)C1=CC=CC(F)=C1 SBB086055 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SBB028153 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.113 NC(=O)C1=CC=CC(O)=C1 SBB079277 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.113 NC(=O)C1=CC=NC(Cl)=C1 SBB028324 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.113 NC(=O)C1=NC(Br)=CC=C1 SBB070391 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.113 NC(=O)C1=NC(F)=CC=C1 SBB086125 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 SBB055711 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.113 NC1=CC(C(=O)O)=CC=C1 SBB028148 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.113 NC1=CC(C(=O)O)=NC=C1 SBB019433 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.113 NC1=CC=CC(C(=O)O)=C1 SBB017556 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.113 NC1=CC=CC(C(=O)O)=N1 SBB053020 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.113 NC1=CN=CC(C(=O)O)=C1 SBB016179 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.113 NC1=NC=CC(C(=O)O)=C1 SBB053016 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.113 O=C(Cl)C1=CC(Br)=CN=C1 SBB053636 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 SBB040625 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 SBB058871 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=C1 SBB005463 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.113 O=C(Cl)C1=NC(Cl)=CC=C1 SBB053638 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 SBB053627 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SBB003524 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 SBB028531 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 SBB040525 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 SBB027660 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SBB004003 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.113 O=C(O)C1=CC(F)=CC=C1 SBB052761 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.113 O=C(O)C1=CC(F)=CN=C1 SBB053038 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.113 O=C(O)C1=CC(I)=CC=C1 SBB052819 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.113 O=C(O)C1=CC(I)=CC=N1 SBB042150 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.113 O=C(O)C1=CC(O)=CC=C1 SBB058844 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.113 O=C(O)C1=CC(O)=NC=C1 SBB052870 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 SBB058408 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 SBB003525 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.113 O=C(O)C1=CC=CC(F)=N1 SBB028461 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.113 O=C(O)C1=CC=NC(F)=C1 SBB028462 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.113 O=C(O)C1=CC=NC(I)=C1 SBB065665 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 SBB028476 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.113 O=C(O)C1=CN=CC(O)=C1 SBB010273 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 SBB028473 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 SBB066005 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 SBB065688 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.113 O=C(O)C1=NC(O)=CC=C1 SBB052861 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 SBB016176 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.113 O=C(O)C1=NC=CC(O)=C1 SBB016174 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.113 O=C1N=CC=C(C(=O)O)N1 SBB067353 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.172 COC1=CC(C=O)=CC=C1 SBB040264 [0,1,0,0,0,1|1,0,0]=3 598 B10R1.172 COC1=CN=CC(C=O)=C1 SBB052243 [0,1,0,0,0,1|1,0,0]=3 599 B10R1.172 N#CC1=CC(C=O)=CC=C1 SBB063181 [0,1,0,0,0,1|1,0,1]=4 600 B10R1.172 O=CC1=CC(CBr)=CC=C1 SBB052151 [0,1,0,0,0,1|1,0,0]=3 601 B10R1.172 O=CC1=CC=CC(C=O)=C1 SBB063365 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.14 CC1=CC=C(C(=O)NN)S1 SBB017661 [0,2,0,0,0,0|0,0,0]=2 603 B10R1.14 CC1=CC=C(\C(N)=N\O)S1 SBB076714 [0,2,0,0,0,0|0,0,1]=3 604 B10R1.14 CC1=NC(C(=O)NN)=CS1 SBB059506 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.14 CN1C=CC(C(=O)CCl)=C1 SBB302162 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.14 CN1C=CC(C(=O)NN)=N1 SBB019841 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.14 CNC(=O)C1=NN(C)C=C1 SBB073503 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.14 COC(=O)C1=CC=C(Br)O1 SBB041085 [0,2,0,0,0,0|1,1,0]=4 609 B10R1.14 COC(=O)C1=CC=C(C)S1 SBB027056 [0,2,0,0,0,0|0,0,0]=2 610 B10R1.14 COC(=O)C1=CC=C(N)S1 SBB014204 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.14 COC(=O)C1=CN=C(Br)S1 SBB053907 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.14 COC(=O)C1=CN=C(N)S1 SBB053918 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.14 COC(=O)C1=COC(C)=N1 SBB086182 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.14 COC(=O)C1=NC=C(C)S1 SBB087214 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.14 COC(=O)C1=NN(C)C=C1 SBB021345 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.14 C\C(=N/O)C1=CC=C(F)S1 SBB073358 [0,2,0,0,0,0|1,0,1]=4 617 B10R1.14 NNC(=O)C1=CC=C(Br)O1 SBB017765 [0,2,0,0,0,0|1,1,0]=4 618 B10R1.14 NNC(=O)C1=CC=C(Br)S1 SBB017797 [0,2,0,0,0,0|1,0,0]=3 619 B10R1.16 CC1=CC=C(CCC=O)O1 SBB017913 [0,2,0,0,0,0|0,1,0]=3 620 B10R1.54 CC(=O)CN1C=CC(C)=N1 SBB022223 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.54 CC(=O)NC1=NC(C)=CS1 SBB000125 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.54 CC(=O)NC1=NC=C(Br)S1 SBB096082 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.54 CC(=O)NC1=NC=C(Cl)S1 SBB071470 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.54 CC(=O)NC1=NN=C(C)S1 SBB113291 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.54 CC1=NC(CC(=O)O)=CS1 SBB018923 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.54 CC1=NC(CC(N)=O)=CS1 SBB059523 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.54 CC1=NN(CC(=O)O)C=C1 SBB020235 [0,2,0,0,0,0|2,0,0]=4 628 B10R1.54 CN1C=CC(CC(=O)O)=N1 SBB049500 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.96 CCCC1=CC=C(C=O)O1 SBB302490 [0,2,0,0,0,0|0,1,0]=3 630 B10R1.96 CCCC1=CC=C(C=O)S1 SBB010356 [0,2,0,0,0,0|0,0,0]=2 631 B10R1.96 CCCN1C=CC(C=O)=N1 SBB022380 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.96 COCC1=CC=C(C=O)O1 SBB019776 [0,2,0,0,0,0|0,1,0]=3 633 B10R1.31 C(=O)C1=CC=C(B(O)O)O1 SBB004171 [0,2,0,0,0,0|1,1,0]=4 634 B10R1.31 CC(=O)C1=CC(C=O)=CS1 SBB301822 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.31 CC(=O)C1=CC(CCl)=CS1 SBB002903 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.31 CC(=O)C1=CC(CO)=CS1 SBB002902 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.31 CC(=O)C1=CC=C(C#N)S1 SBB055753 [0,2,0,0,0,0|0,0,1]=3 638 B10R1.31 CC(=O)C1=CC=C(C=O)S1 SBB087020 [0,2,0,0,0,0|0,0,0]=2 639 B10R1.31 CC(C)N1C=CC(C=O)=N1 SBB073805 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.31 CCC1=CC(C(=O)O)=CS1 SBB010374 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.31 CCC1=CC=C(C(=O)O)O1 SBB085435 [0,2,0,0,0,0|0,1,0]=3 642 B10R1.31 CCC1=CC=C(C(=O)O)S1 SBB019480 [0,2,0,0,0,0|0,0,0]=2 643 B10R1.31 CCC1=CC=C(C(C)=O)S1 SBB021979 [0,2,0,0,0,0|0,0,0]=2 644 B10R1.31 CCN1C=CC(C(=O)Cl)=N1 SBB020700 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.31 CCN1C=CC(C(=O)O)=N1 SBB000010 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.31 CCN1C=CC(C(C)=O)=N1 SBB021676 [0,2,0,0,0,0|2,0,0]=4 647 B10R1.31 CCN1C=CC(C(N)=O)=N1 SBB022146 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.31 CN(C)C1=CC=C(C=O)O1 SBB010276 [0,2,0,0,0,0|0,1,0]=3 649 B10R1.31 CN(C)C1=CC=C(C=O)S1 SBB010367 [0,2,0,0,0,0|0,0,0]=2 650 B10R1.31 COC1=CC=C(C(=O)O)S1 SBB023958 [0,2,0,0,0,0|0,0,0]=2 651 B10R1.31 CSC1=CC=C(C(=O)O)S1 SBB002900 [0,2,0,0,0,0|0,0,0]=2 652 B10R1.31 CSC1=NC(C(=O)O)=CS1 SBB046415 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.31 N#CC1=CC=C([N+](=O)[O-])S1 SBB086993 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.31 NCC1=CC=C(C(=O)O)O1 SBB010282 [0,2,0,0,0,0|0,1,0]=3 655 B10R1.31 O=C(O)C1=CC=C(CO)O1 SBB047405 [0,2,0,0,0,0|0,1,0]=3 656 B10R1.31 O=C(O)C1=NN(CO)C=C1 SBB022055 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.31 O=CC1=CC=C(B(O)O)S1 SBB052582 [0,2,0,0,0,0|1,0,0]=3 658 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SBB053087 [0,2,0,0,0,0|0,1,1]=4 659 B10R1.31 O=CC1=CC=C([N+](=O)[O-])O1 SBB052268 [0,2,0,0,0,0|1,1,0]=4 660 B10R1.31 O=CC1=CC=C([N+](=O)[O-])S1 SBB056958 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.31 O=[N+]([O-])C1=CC=C(CBr)O1 SBB000452 [0,2,0,0,0,0|1,1,0]=4 662 B10R1.35 CCC1=C(Br)C=C(C=O)S1 SBB019869 [0,2,0,0,0,0|0,0,0]=2 663 B10R1.35 CCC1=NC(C)=C(C=O)N1 SBB052316 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.35 CCN1C=C(Br)C(C=O)=N1 SBB020582 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.35 CCN1C=C(Cl)C(C=O)=N1 SBB029910 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.34 CC1=CC(C=O)=C(C)N1C SBB010270 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 SBB006624 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 SBB010095 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.59 CC(=O)C1=C(C)OC(C)=C1 SBB067074 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 SBB067095 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.59 CC(=O)C1=NN(C)C=C1Cl SBB021681 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.59 CC(=O)C1=NN(C)C=C1I SBB074009 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 SBB076311 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 SBB002141 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.59 CC1=C(C(N)=O)SC(N)=N1 SBB010387 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 SBB050603 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 SBB010130 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 SBB004165 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.59 CC1=CC(C(=O)O)=C(C)S1 SBB017936 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 SBB302001 [0,2,0,0,0,0|0,0,0]=2 681 B10R1.59 CC1=CC(C)=NN1C(N)=O SBB004176 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.59 CC1=NC(C(N)=O)=C(N)N1 SBB013300 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 SBB010283 [0,2,0,0,0,0|1,1,0]=4 684 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 SBB005433 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.59 CC1=NC(C)=C(C(N)=O)S1 SBB059524 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.59 CN1C=C(Br)C(C(=O)Cl)=N1 SBB020282 [0,2,0,0,0,0|2,0,0]=4 687 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 SBB000441 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.59 CN1C=C(Cl)C(C(=O)Cl)=N1 SBB073225 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 SBB000132 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.59 CN1C=C(Cl)C(C(N)=O)=N1 SBB116484 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 SBB000912 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.59 CN1C=C(I)C(C(N)=O)=N1 SBB074019 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.59 CN1C=C(N)C(C(N)=O)=N1 SBB020898 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 SBB055796 [0,2,0,0,0,0|1,0,0]=3 695 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 SBB018976 [0,2,0,0,0,0|0,0,0]=2 696 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 SBB009532 [0,2,0,0,0,0|0,0,0]=2 697 B10R1.58 CC1=CC(C(=O)Cl)=NN1C SBB053659 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.58 CC1=CC(C(=O)O)=NN1C SBB005424 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.58 CC1=CC(C(N)=O)=NN1C SBB073422 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.58 CN1N=C(C(=O)O)C=C1N SBB026484 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.58 CN1N=C(C(N)=O)C=C1N SBB116454 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 SBB069102 [0,2,0,0,0,0|1,1,0]=4 703 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 SBB015874 [0,2,0,0,0,0|1,0,0]=3 704 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)S1 SBB016753 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.55 NS(=O)(=O)C1=CC=C(Br)S1 SBB099539 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.55 NS(=O)(=O)C1=CC=C(Cl)S1 SBB003565 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.55 O=S(=O)(Cl)C1=CC=C(Br)S1 SBB003086 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 SBB003378 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.55 O=S(=O)(Cl)C1=CC=C(F)S1 SBB027016 [0,2,0,0,0,0|2,0,0]=4 710 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 SBB027694 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.194 CC1=CC=C(C(N)=S)N1C SBB023836 [0,2,0,0,0,0|1,1,0]=4 712 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [0,0,1,1,0,0|2,0,0]=4 713 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [0,0,1,1,0,0|1,0,1]=4 714 B8R1.3 CC1=CC=C(Br)C=C1 SBB040884 [0,0,1,1,0,0|2,0,0]=4 715 B8R1.3 CC1=CC=C(Br)C=N1 SBB088566 [0,0,1,1,0,0|2,0,0]=4 716 B8R1.3 CC1=CC=C(C)N=C1 SBB060370 [0,0,1,1,0,0|2,0,0]=4 717 B8R1.3 CC1=CC=C(Cl)C=C1 SBB040887 [0,0,1,1,0,0|2,0,0]=4 718 B8R1.3 CC1=CC=C(N)C=C1 SBB040498 [0,0,1,1,0,0|2,0,0]=4 719 B8R1.3 CC1=CC=C(N)C=C1 SBB073002 [0,0,1,1,0,0|2,0,0]=4 720 B8R1.3 CC1=CC=C(N)C=N1 SBB051894 [0,0,1,1,0,0|2,0,0]=4 721 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [0,0,1,1,0,0|1,0,1]=4 722 B8R1.3 CC1=CN=C(S)C=C1 SBB068990 [0,0,1,1,0,0|2,0,0]=4 723 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [0,0,1,1,0,0|2,0,0]=4 724 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [0,0,1,1,0,0|1,0,1]=4 725 B8R1.3 NC1=CC=C(S)C=C1 SBB059850 [0,0,1,1,0,0|2,0,0]=4 726 B8R1.3 O=C1C=CC(=O)C=C1 SBB058657 [0,0,1,1,0,0|2,0,0]=4 727 B8R1.3 SC1=CC=C(Br)C=C1 SBB055148 [0,0,1,1,0,0|2,0,0]=4 728 B8R1.5 CC1=CC=CNC1=O SBB040120 [0,0,1,1,0,0|2,0,0]=4 729 B8R1.5 NC1=C(S)C=CC=C1 SBB009960 [0,0,1,1,0,0|1,0,1]=4 730 B8R1.5 NC1=CC=CNC1=O SBB000038 [0,0,1,1,0,0|2,0,0]=4 731 B8R1.5 NC1=NC=CC=C1S SBB065453 [0,0,1,1,0,0|2,0,0]=4 732 B8R1.5 O=C1NC=CC=C1Br SBB088834 [0,0,1,1,0,0|2,0,0]=4 733 B8R1.5 SC1=CC=CC=C1Br SBB063171 [0,0,1,1,0,0|1,0,1]=4