0 B7R1.4 BrC1=C(I)C=CS1 1779AB [0,0,0,0,0,0|2,1,0]=3 1 B7R1.4 CC1=C(I)C=NO1 Y9878 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.4 CC1=C(N)C=CS1 1720AB [0,0,0,0,0,0|1,1,0]=2 3 B7R1.4 CC1=C(N)C=NO1 4024AC [0,0,0,0,0,0|2,0,0]=2 4 B7R1.4 CC1=C(N)N=CN1 3265AJ [0,0,0,0,0,0|3,0,0]=3 5 B7R1.4 CC1=C(N)OC=N1 1683AC [0,0,0,0,0,0|3,0,0]=3 6 B7R1.4 CC1=CSC=C1N 6789AB [0,0,0,0,0,0|3,0,0]=3 7 B7R1.4 CN1C=NC=C1N Y5509 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.4 CN1N=NC=C1Br X3508 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.4 NC1=C(Br)SC=C1 1486AA [0,0,0,0,0,0|2,1,0]=3 10 B7R1.4 NC1=C(Br)SC=N1 6314AA [0,0,0,0,0,0|3,1,0]=4 11 B7R1.4 NC1=CSC=C1Cl 2703AL [0,0,0,0,0,0|4,0,0]=4 12 B7R1.4 NC1=CSC=C1N 5474AD [0,0,0,0,0,0|4,0,0]=4 13 B7R1.4 O=C1O[Pd]OC1=O 6915AF [0,0,0,0,0,0|3,1,0]=4 14 B7R1.4 O=C1O[Pd]OC1=O 8498AB [0,0,0,0,0,0|3,1,0]=4 15 B7R1.4 OC1=CSC=C1O 6989AA [0,0,0,0,0,0|3,1,0]=4 16 B6R1.2 BrC1=NC=CO1 X7954 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,0,0,0|0,0,2]=3 18 B6R1.2 CC1=CNC=C1 W7383 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 CC1=COC=C1 X5961 [1,0,0,0,0,0|1,0,0]=2 20 B6R1.2 ClC1=CN=CS1 5751AB [1,0,0,0,0,0|2,1,0]=4 21 B6R1.2 ClC1=NC=CO1 X3782 [1,0,0,0,0,0|2,0,0]=3 22 B6R1.2 FC1=CSC=C1 6051AL [1,0,0,0,0,0|1,1,0]=3 23 B6R1.2 FC1=NC=CN1 Z2562 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 FC1=NNC=C1 7175AA [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 IC1=CSN=C1 2848AJ [1,0,0,0,0,0|2,1,0]=4 26 B6R1.2 NC1=CC=CS1 9727AA [1,0,0,0,0,0|1,1,0]=3 27 B6R1.2 NC1=CC=CS1 Y9627 [1,0,0,0,0,0|1,1,0]=3 28 B6R1.2 NC1=COC=N1 4441AJ [1,0,0,0,0,0|2,0,0]=3 29 B6R1.2 NC1=CSC=N1 Y6641 [1,0,0,0,0,0|2,1,0]=4 30 B6R1.2 NC1=CSN=C1 W7611 [1,0,0,0,0,0|2,1,0]=4 31 B6R1.2 OC1=CC=CO1 X6571 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.11 C=CN1C=CN=C1C 5702AL [0,1,0,0,0,0|3,0,0]=4 33 B8R1.11 CC1=C(C#N)N=CN1 1655AA [0,1,0,0,0,0|3,0,0]=4 34 B8R1.11 CC1=C(C=O)NC=C1 1713AB [0,1,0,0,0,0|2,0,1]=4 35 B8R1.11 CC1=C(CCl)C=NO1 X3761 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.11 CC1=C(CCl)SC=N1 7109AC [0,1,0,0,0,0|2,1,0]=4 37 B8R1.11 CC1=C(CN)C=NO1 3895AJ [0,1,0,0,0,0|2,0,0]=3 38 B8R1.11 CC1=C(CN)N=CN1 7784AE [0,1,0,0,0,0|3,0,0]=4 39 B8R1.11 CC1=C(CO)C=NO1 8859AH [0,1,0,0,0,0|1,1,0]=3 40 B8R1.11 CCC1=C(C)N=CS1 3502AB [0,1,0,0,0,0|2,1,0]=4 41 B8R1.11 CCC1=CC=NN1C 2989AE [0,1,0,0,0,0|3,0,0]=4 42 B8R1.11 CN1C=CN=C1CN 7571AB [0,1,0,0,0,0|3,0,0]=4 43 B8R1.11 CN1N=CC=C1CN 3010AA [0,1,0,0,0,0|3,0,0]=4 44 B8R1.11 CNC1=C(N)C=CS1 5831AA [0,1,0,0,0,0|1,1,0]=3 45 B8R1.11 COC1=C(I)SC=C1 9868AB [0,1,0,0,0,0|1,2,0]=4 46 B8R1.11 N#CC1=C(N)NC=C1 1744AC [0,1,0,0,0,0|3,0,0]=4 47 B8R1.11 NC1=C(C=O)OC=C1 8258AB [0,1,0,0,0,0|1,0,1]=3 48 B8R1.11 NCC1=C(Br)SC=C1 8483AH [0,1,0,0,0,0|2,1,0]=4 49 B8R1.11 O=CC1=C(Cl)C=CN1 2395AL [0,1,0,0,0,0|2,0,1]=4 50 B8R1.11 O=CC1=C(F)C=CS1 3618AB [0,1,0,0,0,0|1,1,1]=4 51 B8R1.18 CC1=C(Br)OC(Br)=C1 B848 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.18 CC1=C(C)NC(=O)N1 1527AA [0,1,0,0,0,0|3,0,0]=4 53 B8R1.18 CC1=C(C)OC(Br)=N1 Y7293 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.18 CC1=C(Cl)N=C(Cl)S1 1212AA [0,1,0,0,0,0|2,1,0]=4 55 B8R1.18 CC1=C(N)N=C(N)S1 2191AC [0,1,0,0,0,0|2,1,0]=4 56 B8R1.18 CC1=NN(C)C(N)=C1 Y6854 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.18 CC1=NN(C)C=C1Cl 5020AD [0,1,0,0,0,0|3,0,0]=4 58 B8R1.18 CN1N=C(Br)C=C1N X9928 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.18 ClC1=CC(I)=C(Cl)S1 3312AE [0,1,0,0,0,0|2,1,0]=4 60 B8R1.50 CC1=C(Br)C(Br)=NN1 2073AJ [0,1,0,0,0,0|3,0,0]=4 61 B8R1.50 CC1=C(C)C(Br)=NO1 5024AC [0,1,0,0,0,0|2,0,0]=3 62 B8R1.50 CC1=CNC(C)=C1C 4993AB [0,1,0,0,0,0|2,0,0]=3 63 B8R1.50 CC1=NNC(N)=C1Br Y7774 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.50 CC1=NOC(C)=C1N 8024AJ [0,1,0,0,0,0|2,0,0]=3 65 B8R1.50 CC1=NSC(N)=C1Br 0891AQ [0,1,0,0,0,0|3,0,0]=4 66 B8R1.50 O=C1OCC(Br)=C1Br 4605AD [0,1,0,0,0,0|2,0,1]=4 67 B6R0.3 C=C[C@@H](N)C(=O)O 7467AB [0,0,1,0,0,0|2,0,1]=4 68 B8R1.4 CC1=CC(C)=NC=N1 W3390 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [0,0,0,0,0,1|1,0,1]=3 70 B8R1.4 NC1=CC(O)=CC=C1 I722 [0,0,0,0,0,1|2,1,0]=4 71 B8R1.4 NC1=CC=NC(=S)N1 0783AQ [0,0,0,0,0,1|3,0,0]=4 72 B8R1.4 O=C1C=C(Cl)C=CO1 5500AA [0,0,0,0,0,1|2,0,0]=3 73 B8R1.4 S=C1N=CC=C(Cl)N1 9584AB [0,0,0,0,0,1|3,0,0]=4 74 B8R1.4 SC1=CC(Cl)=NC=C1 Y5887 [0,0,0,0,0,1|2,0,0]=3 75 B8R1.5 CC1=C(F)C=CN=C1 2798AB [0,0,0,0,0,1|2,0,0]=3 76 B8R1.5 CC1=NC=CC=C1O 9469AJ [0,0,0,0,0,1|1,1,0]=3 77 B8R1.5 ClC1=C(Br)C=NC=N1 3132AJ [0,0,0,0,0,1|3,0,0]=4 78 B8R1.5 NC1=CC=CC=C1Br 6262AC [0,0,0,0,0,1|3,0,0]=4 79 B8R1.5 O=C1NC=CC=C1I 2032AA [0,0,0,0,0,1|2,1,0]=4 80 B5R0.1 CC(C)=CC=O 8071AJ [1,0,1,0,0,0|1,0,1]=4 81 B5R0.2 C=CC\C=C/C 0307AQ [1,0,1,0,0,0|1,0,1]=4 82 B5R0.3 C=CC(C)ON 4428AJ [1,0,1,0,0,0|1,0,1]=4 83 B5R0.3 C=C\C(C)=C\C 6089AL [1,0,1,0,0,0|1,0,0]=3 84 B7R0.2 CO\C(C)=C\C(=O)O 4935AD [0,1,1,0,0,0|2,0,0]=4 85 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [0,1,1,0,0,0|1,1,0]=4 86 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [0,1,1,0,0,0|1,1,0]=4 87 B7R1.1 BrCC1=CC=NO1 0787AC [1,1,0,0,0,0|1,0,0]=3 88 B7R1.1 BrCC1=CN=CS1 Y7777 [1,1,0,0,0,0|1,1,0]=4 89 B7R1.1 BrCC1=CNC=N1 2559AC [1,1,0,0,0,0|2,0,0]=4 90 B7R1.1 BrCC1=COC=C1 Z5546 [1,1,0,0,0,0|1,0,0]=3 91 B7R1.1 BrCC1=NC=CS1 5217AA [1,1,0,0,0,0|1,1,0]=4 92 B7R1.1 CCC1=CSC=N1 9240AA [1,1,0,0,0,0|2,0,0]=4 93 B7R1.1 CCC1=[C-]CC=C1 3755AB [1,1,0,0,0,0|1,0,1]=4 94 B7R1.1 CNC1=NC=CO1 6947AC [1,1,0,0,0,0|1,0,0]=3 95 B7R1.1 CSC1=CC=CO1 3661AD [1,1,0,0,0,0|0,0,0]=2 96 B7R1.1 ClCC1=CN=CO1 8892AA [1,1,0,0,0,0|1,0,0]=3 97 B7R1.1 ClCC1=CN=CS1 Z3006 [1,1,0,0,0,0|1,1,0]=4 98 B7R1.1 ClCC1=COC=N1 1964AC [1,1,0,0,0,0|2,0,0]=4 99 B7R1.1 ClCC1=NN=CO1 1392AC [1,1,0,0,0,0|2,0,0]=4 100 B7R1.1 ClCC1=NOC=C1 8517AB [1,1,0,0,0,0|2,0,0]=4 101 B7R1.1 N#CC1=CON=C1 0623AC [1,1,0,0,0,0|2,0,0]=4 102 B7R1.1 N#CC1=NC=CO1 0624AC [1,1,0,0,0,0|1,0,1]=4 103 B7R1.1 NCC1=CC=NO1 5355AB [1,1,0,0,0,0|1,0,0]=3 104 B7R1.1 NCC1=CON=C1 3103AA [1,1,0,0,0,0|2,0,0]=4 105 B7R1.1 NCC1=CON=C1 8976AA [1,1,0,0,0,0|2,0,0]=4 106 B7R1.1 NCC1=NC=CS1 Y9458 [1,1,0,0,0,0|1,1,0]=4 107 B7R1.1 OCC1=CC=NS1 8796AA [1,1,0,0,0,0|1,1,0]=4 108 B7R1.1 OCC1=NC=CS1 1650AB [1,1,0,0,0,0|1,1,0]=4 109 B7R1.2 CC1=CC(N)=CS1 7683AA [1,1,0,0,0,0|0,1,0]=3 110 B7R1.2 CC1=CC=C(Br)O1 Z5451 [1,1,0,0,0,0|0,0,0]=2 111 B7R1.2 CC1=CN=C(Br)O1 Y7373 [1,1,0,0,0,0|1,0,0]=3 112 B7R1.2 CC1=CN=C(N)N1 X7979 [1,1,0,0,0,0|2,0,0]=4 113 B7R1.2 CC1=CSC(N)=C1 7351AA [1,1,0,0,0,0|1,1,0]=4 114 B7R1.2 CC1=NC(N)=CS1 0820AA [1,1,0,0,0,0|1,1,0]=4 115 B7R1.2 CC1=NC=C(N)O1 7685AA [1,1,0,0,0,0|1,0,0]=3 116 B7R1.2 CC1=NN=C(S)O1 9842AD [1,1,0,0,0,0|2,0,0]=4 117 B7R1.2 CC1=NOC(Br)=C1 3130AJ [1,1,0,0,0,0|2,0,0]=4 118 B7R1.2 CC1=NOC(I)=C1 3237AJ [1,1,0,0,0,0|2,0,0]=4 119 B7R1.2 CC1=NSC(Cl)=C1 3191AJ [1,1,0,0,0,0|2,0,0]=4 120 B7R1.2 CN1C=CC(N)=C1 1192AC [1,1,0,0,0,0|2,0,0]=4 121 B7R1.2 CN1C=CC(N)=N1 0807AQ [1,1,0,0,0,0|2,0,0]=4 122 B7R1.2 ClC1=CC=C(I)S1 2831AB [1,1,0,0,0,0|1,1,0]=4 123 B7R1.2 IC1=COC(I)=N1 0733AQ [1,1,0,0,0,0|2,0,0]=4 124 B7R1.2 NC1=CC=C(Br)S1 5820AH [1,1,0,0,0,0|1,1,0]=4 125 B7R1.2 O=C1C=CC(Br)O1 5337AB [1,1,0,0,0,0|1,0,1]=4 126 B9R1.2 CC1=NC=CC(CCl)=N1 4940AC [0,1,0,0,0,1|2,0,0]=4 127 B9R1.2 CCC1=CC(Cl)=CC=C1 9311AB [0,1,0,0,0,1|2,0,0]=4 128 B9R1.2 CNC1=NC=CC(N)=C1 5548AC [0,1,0,0,0,1|2,0,0]=4 129 B9R1.2 ClCC1=CC(I)=CC=C1 8955AB [0,1,0,0,0,1|2,0,0]=4 130 B9R1.2 NC1=CC=NC(CCl)=N1 2442AC [0,1,0,0,0,1|2,0,0]=4 131 B9R1.2 NCC1=NC=CC(Cl)=N1 8769AH [0,1,0,0,0,1|2,0,0]=4 132 B9R1.2 NCC1=NC=CC(F)=C1 Y4340 [0,1,0,0,0,1|2,0,0]=4 133 B9R1.2 OCC1=NC(O)=CC=C1 1325AE [0,1,0,0,0,1|1,1,0]=4 134 B9R1.3 CC1=C(O)C(=O)C=CN1 8833AA [0,1,0,0,0,1|1,1,0]=4 135 B9R1.3 CC1=C([O-])C(=O)C=CO1 SYN5159 [0,1,0,0,0,1|0,1,0]=3 136 B9R1.3 CC1=NC=CC(Cl)=C1N 3692AA [0,1,0,0,0,1|2,0,0]=4 137 B9R1.3 CC1=NC=CC(N)=C1N Z4231 [0,1,0,0,0,1|2,0,0]=4 138 B9R1.34 CC1=CC(Cl)=CC(F)=N1 4336AA [0,1,0,0,0,1|2,0,0]=4 139 B9R1.34 CC1=CC(F)=CC(O)=N1 X2039 [0,1,0,0,0,1|1,1,0]=4 140 B9R1.34 CC1=CC(N)=CC(N)=N1 X4345 [0,1,0,0,0,1|2,0,0]=4 141 B9R1.69 CC1=C(I)C=CC(Br)=N1 5952AH [0,1,0,0,0,1|2,0,0]=4 142 B9R1.69 CC1=CC(Br)=C(N)C=N1 1375AA [0,1,0,0,0,1|2,0,0]=4 143 B9R1.69 CC1=CC(N)=C(N)C=N1 3446AC [0,1,0,0,0,1|2,0,0]=4 144 B9R1.69 CC1=CC=C(C)C(Br)=N1 5008AH [0,1,0,0,0,1|2,0,0]=4 145 B9R1.69 CC1=CN=C(C)C=C1O 1272AB [0,1,0,0,0,1|1,1,0]=4 146 B9R1.69 CC1=NC(N)=C(Cl)C=C1 8342AB [0,1,0,0,0,1|2,0,0]=4 147 B9R1.69 CC1=NC(N)=C(S)C=C1 3971AB [0,1,0,0,0,1|2,0,0]=4 148 B9R1.69 CC1=NC=C(Cl)C(N)=C1 6847AC [0,1,0,0,0,1|2,0,0]=4 149 B9R1.69 CC1=NC=C(I)C(=O)N1 2031AA [0,1,0,0,0,1|1,1,0]=4 150 B9R1.69 CC1=NC=C(N)C(=O)N1 7532AB [0,1,0,0,0,1|1,1,0]=4 151 B9R1.69 CC1=NN=C(N)C(S)=C1 2351AL [0,1,0,0,0,1|2,0,0]=4 152 B9R1.69 CC1=[N+]([O-])C=CC(Br)=C1 0163AA [0,1,0,0,0,1|2,0,0]=4 153 B9R1.69 OC1=CC=C(O)C(S)=C1 1917AL [0,1,0,0,0,1|2,0,0]=4 154 B9R1.15 CC1=CN=CC=C1CO 4896AB [0,1,0,0,0,1|1,1,0]=4 155 B9R1.15 CC1=NC=CC=C1CBr X4783 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.15 CC1=NC=CC=C1CO X2884 [0,1,0,0,0,1|1,1,0]=4 157 B9R1.15 CC1=NC=CN=C1CO 8119AA [0,1,0,0,0,1|1,1,0]=4 158 B9R1.15 CNC1=NC=CN=C1Cl 5057AE [0,1,0,0,0,1|2,0,0]=4 159 B9R1.15 COC1=C(Cl)C=NC=C1 3447AC [0,1,0,0,0,1|2,0,0]=4 160 B9R1.15 CSC1=NC=CC=C1Cl Z1214 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [0,1,0,0,0,1|2,0,0]=4 162 B9R1.15 NCC1=C(N)C=CC=N1 5249AJ [0,1,0,0,0,1|2,0,0]=4 163 B9R1.15 NCC1=C(N)C=NC=C1 7105AA [0,1,0,0,0,1|2,0,0]=4 164 B9R1.15 NCC1=CC=CN=C1N 4362AD [0,1,0,0,0,1|2,0,0]=4 165 B9R1.15 NCC1=CC=CNC1=O Y1980 [0,1,0,0,0,1|1,1,0]=4 166 B9R1.15 NCC1=NC=CN=C1N 5683AJ [0,1,0,0,0,1|2,0,0]=4 167 B9R1.15 OCC1=C(O)C=NC=C1 X7917 [0,1,0,0,0,1|1,1,0]=4 168 B9R1.22 CC1=CC(C#N)=C(C)N1 2272AB [0,2,0,0,0,0|2,0,0]=4 169 B9R1.22 CC1=NC(C)=C(CCl)O1 4153AC [0,2,0,0,0,0|2,0,0]=4 170 B9R1.22 CC1=NC(C=O)=C(C)O1 Y4728 [0,2,0,0,0,0|1,1,0]=4 171 B9R1.27 CC1=COC(N)=C1C#N 7113AB [0,2,0,0,0,0|2,0,0]=4 172 B9R1.27 CC1=NOC(C)=C1CBr X2944 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.41 CC(=O)C1=C(C)N=CO1 1471AB [0,2,0,0,0,0|2,0,0]=4 174 B9R1.41 CC(=O)C1=C(O)C=CS1 U507 [0,2,0,0,0,0|0,2,0]=4 175 B9R1.41 CC1=C(C(N)=O)C=CS1 0775AQ [0,2,0,0,0,0|0,2,0]=4 176 B9R1.41 NC1=C(C(=O)O)OC=C1 5003AA [0,2,0,0,0,0|1,0,1]=4 177 B9R1.41 O=C(O)C1=C(Br)OC=C1 Z5486 [0,2,0,0,0,0|1,1,0]=4 178 B9R1.41 OB(O)C1=C(Cl)OC=C1 4482AA [0,2,0,0,0,0|1,1,0]=4 179 B9R1.23 CC1=C(Br)C=C(C=O)S1 Y8586 [0,2,0,0,0,0|1,1,0]=4 180 B9R1.23 CCC1=NC(C)=C(C)O1 7688AB [0,2,0,0,0,0|2,0,0]=4 181 B9R1.37 CC1=C(Br)C(C)=C(Br)S1 X6351 [0,2,0,0,0,0|1,1,0]=4 182 B7R1.3 O=C1C=COCC1 2954AC [0,0,1,1,0,0|0,1,1]=4