0 B7R1.3 BrC1=CC=CC=C1 1362060 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 BrC1=CC=CN=C1 1361113 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 BrC1=CC=NC=C1 1361114 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 BrC1=CN=CN=C1 1361115 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 BrC1=NC=CC=C1 1361112 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 BrC1=NC=CC=N1 2822298 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 CC1=CC=CC=C1 3585912 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.3 CC1=CC=NC=C1 2825452 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 CC1=CC=NC=N1 5791887 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 CC1=CN=CC=C1 2825453 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 CC1=NC=CC=C1 2825451 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 CC1=NC=CN=C1 2816692 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 ClC1=CC=CC=C1 2825843 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.3 ClC1=NC=CC=C1 2825881 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.3 ClC1=NC=CC=N1 2139047 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 ClC1=NC=CN=C1 2139102 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 FC1=CC=CC=C1 2825477 [0,0,0,0,0,0|1,0,0]=1 17 B7R1.3 IC1=CC=CC=C1 3040212 [0,0,0,0,0,0|1,0,0]=1 18 B7R1.3 IC1=CC=CN=C1 5012913 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 NC1=CC=CC=C1 2825450 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.3 NC1=CC=CC=C1 5753507 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.3 NC1=CC=NC=C1 2825458 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 NC1=CC=NC=N1 2630850 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 NC1=CN=CC=C1 7119850615 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 NC1=NC=CC=C1 2825459 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 NC1=NC=CC=N1 0125330241 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 NC1=NC=CN=C1 2140015 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 NC1=NN=CC=N1 2825476 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.3 N[N+]1=CC=NC=C1 12405064 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.3 O=C1C=CC=CN1 2024672 [0,0,0,0,0,0|1,0,1]=2 30 B7R1.3 O=C1C=CCCC1 2816713 [0,0,0,0,0,0|0,0,4]=4 31 B7R1.3 O=C1CSC=CN1 1317167 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.3 OC1=CC=CC=C1 2825456 [0,0,0,0,0,0|0,0,0]=0 33 B7R1.3 OC1=CC=CN=C1 22430584 [0,0,0,0,0,0|1,0,0]=1 34 B7R1.3 SC1=CC=CC=C1 2825764 [0,0,0,0,0,0|0,1,0]=1 35 B7R1.3 SC1=NC=CC=C1 3585967 [0,0,0,0,0,0|1,1,0]=2 36 B7R1.3 SC1=NC=CC=N1 2825817 [0,0,0,0,0,0|2,1,0]=3 37 B7R1.3 [O-][N+]1=CC=CC=C1 6057284 [0,0,0,0,0,0|1,0,1]=2 38 B6R1.1 C1=CN=CC=N1 12405397 [1,0,0,0,0,0|2,0,0]=3 39 B6R1.1 C1=NC=NC=N1 6849993 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 BrCC1=CC=CC=C1 2844339 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.2 C=CC1=CC=NC=C1 2825664 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 CCC1=CC=CC=C1 2825676 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.2 CNC1=CC=CC=C1 1366528 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.2 COC1=CC=CC=C1 2825706 [0,1,0,0,0,0|0,0,0]=1 45 B8R1.2 CSC1=CC=CC=C1 2826254 [0,1,0,0,0,0|0,1,0]=2 46 B8R1.2 ClCC1=CC=CC=C1 1778716 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.2 N#CC1=CC=CC=C1 1778585 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.2 N#CC1=CC=CC=N1 2129613 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 N#CC1=CC=CN=C1 2129614 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.2 N#CC1=CC=NC=C1 2129615 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.2 N#CC1=NC=CC=N1 3664148 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.2 N#CC1=NC=CN=C1 2816880 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.2 NCC1=CC=CC=C1 1038608 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.2 NCC1=CC=CC=C1 6057147 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.2 NCC1=CC=CN=C1 1038606 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.2 NCC1=CC=NC=C1 1038607 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.2 NNC1=CC=CC=C1 1156632 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.2 NNC1=CC=CC=C1 6057168 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.2 NNC1=NC=CC=C1 1060375 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.2 O=CC1=CC=CC=C1 988591 [0,1,0,0,0,0|0,0,1]=2 61 B8R1.2 O=CC1=CC=CN=C1 2084334 [0,1,0,0,0,0|1,0,1]=3 62 B8R1.2 O=CC1=CC=NC=C1 988524 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.2 O=CC1=NC=CC=C1 2084333 [0,1,0,0,0,0|1,0,1]=3 64 B8R1.2 OCC1=CC=CC=C1 1778593 [0,1,0,0,0,0|0,0,0]=1 65 B8R1.2 SCC1=CC=CC=C1 1972971 [0,1,0,0,0,0|0,1,0]=2 66 B8R1.3 BrC1=CC=C(Br)C=C1 1362076 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.3 CC1=CC=C(Br)C=C1 1287407 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.3 CC1=CC=C(C)C=C1 2825678 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.3 CC1=CC=C(F)C=C1 2825753 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.3 CC1=CC=C(N)C=C1 2825688 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.3 CC1=CC=C(N)C=N1 3488451 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.3 CC1=CC=C(O)C=C1 2825707 [0,1,0,0,0,0|0,0,0]=1 73 B8R1.3 CC1=CC=C(S)C=C1 2826253 [0,1,0,0,0,0|0,1,0]=2 74 B8R1.3 CC1=CN=C(Br)C=C1 2835836 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.3 CC1=CN=C(N)C=C1 2825716 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.3 CC1=CNC(=O)C=C1 2024673 [0,1,0,0,0,0|1,0,1]=3 77 B8R1.3 CC1=NC=C(O)C=C1 2816909 [0,1,0,0,0,0|1,0,0]=2 78 B8R1.3 ClC1=CC=C(Br)C=C1 1287419 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.3 ClC1=CC=C(Cl)C=C1 2828764 [0,1,0,0,0,0|1,0,0]=2 80 B8R1.3 ClC1=CC=C(Cl)N=C1 22430597 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.3 ClC1=NC=C(Br)C=C1 2127455 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.3 ClC1=NC=C(Br)C=N1 3488453 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.3 ClC1=NN=C(Cl)C=C1 2828968 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.3 FC1=CC=C(Br)C=C1 1287410 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.3 FC1=CC=C(F)C=C1 2825887 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.3 NC1=CC=C(Br)C=C1 1362074 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.3 NC1=CC=C(Br)C=N1 7018959928 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.3 NC1=CC=C(Cl)C=C1 1506171 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.3 NC1=CC=C(Cl)C=N1 7119850610 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.3 NC1=CC=C(F)C=C1 1506428 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.3 NC1=CC=C(I)C=C1 2977826 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.3 NC1=CC=C(I)C=N1 0111070071 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.3 NC1=CC=C(N)C=C1 1509975 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.3 NC1=CC=C(O)C=C1 1509977 [0,1,0,0,0,0|0,0,0]=1 95 B8R1.3 NC1=CN=C(Br)C=C1 2205036 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.3 NC1=CN=C(Cl)C=C1 1513452 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.3 NC1=NC=C(Br)C=C1 3585769 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.3 NC1=NC=C(Br)C=N1 2837336 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.3 NC1=NC=C(F)C=C1 1218806 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.3 NC1=NN=C(Cl)C=C1 2826652 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.3 O=C1C=CC(=O)C=C1 2825700 [0,1,0,0,0,0|0,0,1]=2 102 B8R1.3 O=C1C=CC(=O)NN1 2825798 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.3 O=C1C=CC(Br)=CN1 1313838 [0,1,0,0,0,0|1,0,1]=3 104 B8R1.3 O=C1C=CC(F)=CN1 2030881 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.3 OC1=CC=C(Br)C=C1 1506353 [0,1,0,0,0,0|0,0,0]=1 106 B8R1.3 OC1=CC=C(Br)N=C1 5005426 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.3 OC1=CC=C(Cl)C=C1 1506172 [0,1,0,0,0,0|0,0,0]=1 108 B8R1.3 OC1=CC=C(F)C=C1 1506430 [0,1,0,0,0,0|0,0,0]=1 109 B8R1.3 OC1=CC=C(O)C=C1 1194834 [0,1,0,0,0,0|0,0,0]=1 110 B8R1.3 SC1=CC=C(Br)C=C1 2932610 [0,1,0,0,0,0|0,1,0]=2 111 B8R1.3 SC1=CC=C(Cl)C=C1 2828318 [0,1,0,0,0,0|0,1,0]=2 112 B8R1.3 [NH3+]C1=CC=C([NH3+])C=C1 22430635 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.4 BrC1=CN=CC(Br)=C1 3176994 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.4 CC1=CC(=O)NC=C1 1445642 [0,1,0,0,0,0|1,0,1]=3 115 B8R1.4 CC1=CC(C)=NC=C1 2825693 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.4 CC1=CC(C)=NC=N1 5009564 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.4 CC1=CC(Cl)=NC=C1 22430560 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.4 CC1=CC(N)=CC=N1 1496346 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.4 CC1=CC(N)=CC=N1 1500240 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.4 CC1=CC(O)=CC=C1 2825708 [0,1,0,0,0,0|0,0,0]=1 121 B8R1.4 CC1=CC=CC(Br)=C1 1287409 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.4 CC1=CC=CC(C)=C1 2825677 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.4 CC1=CC=CC(C)=N1 2825696 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.4 CC1=CC=CC(Cl)=C1 2826369 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.4 CC1=CC=CC(N)=C1 3585811 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.4 CC1=CC=CC(N)=N1 2825715 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.4 CC1=CC=NC(N)=C1 7015122364 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.4 CC1=CC=NC(O)=N1 3353962 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.4 CC1=CN=CC(Br)=C1 22430615 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.4 CC1=CN=CC(C)=C1 6057011 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.4 CC1=C[N+]([O-])=CC=C1 2825733 [0,1,0,0,0,0|1,0,1]=3 132 B8R1.4 CC1=NC=NC(O)=C1 3354285 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.4 ClC1=CC(Cl)=NC=C1 22430594 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.4 ClC1=CC(Cl)=NC=N1 1661305 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.4 ClC1=CC=CC(Br)=C1 1287418 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.4 ClC1=CC=CC(Cl)=C1 2828765 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.4 ClC1=CC=CC(Cl)=N1 2828869 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.4 ClC1=NC(Cl)=NC=C1 2828969 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.4 FC1=CC=CC(Br)=C1 1903198 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.4 FC1=CC=CC(F)=C1 2825886 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.4 NC1=CC(Br)=CC=C1 1362075 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.4 NC1=CC(Br)=NC=C1 7216640154 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.4 NC1=CC(Cl)=CC=C1 2826459 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.4 NC1=CC(F)=CC=C1 2825774 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.4 NC1=CC(O)=CC=C1 1106784 [0,1,0,0,0,0|0,0,0]=1 146 B8R1.4 NC1=CC=CC(N)=C1 1972927 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.4 NC1=CC=CC(N)=N1 2825734 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.4 NC1=NC(=O)NC=C1 3664347 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.4 NC1=NC(Br)=CC=C1 2213493 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.4 NC1=NC(Cl)=CC=C1 3665787 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 NC1=NC=CC(=O)N1 2212901 [0,1,0,0,0,0|2,0,1]=4 152 B8R1.4 NC1=NC=CC(Br)=C1 7110952492 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.4 NC1=NC=CC(Cl)=C1 7110952557 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 O=C1C=CC=C(Cl)N1 6849602 [0,1,0,0,0,0|1,0,1]=3 155 B8R1.4 O=C1C=CN=C(S)N1 5973554 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.4 O=C1C=CNC(=O)N1 1312677 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.4 O=C1C=CNC(=S)N1 1287909 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.4 OC1=CC(Br)=CC=C1 1287431 [0,1,0,0,0,0|0,0,0]=1 159 B8R1.4 OC1=CC(Cl)=CC=C1 2826548 [0,1,0,0,0,0|0,0,0]=1 160 B8R1.4 OC1=CC(F)=CC=C1 2825801 [0,1,0,0,0,0|0,0,0]=1 161 B8R1.4 OC1=CC=CC(O)=C1 2825748 [0,1,0,0,0,0|0,0,0]=1 162 B8R1.4 [O-][N+]1=CC=CC(Br)=C1 6850697 [0,1,0,0,0,0|1,0,1]=3 163 B8R1.5 CC1=C(Br)C=CC=C1 1287408 [0,1,0,0,0,0|1,0,0]=2 164 B8R1.5 CC1=C(Br)N=CC=C1 2835840 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.5 CC1=C(C)C=CC=C1 2825679 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.5 CC1=C(Cl)C=CC=C1 2826368 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.5 CC1=C(Cl)N=CC=C1 2817631 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.5 CC1=C(N)C=CC=C1 2825687 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.5 CC1=C(O)C=CC=C1 2825709 [0,1,0,0,0,0|0,0,0]=1 170 B8R1.5 CC1=CC=CC=C1F 2825751 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.5 CC1=CC=CC=C1N 3585807 [0,1,0,0,0,0|1,0,0]=2 172 B8R1.5 CC1=CC=CN=C1N 2825713 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.5 CC1=CC=CNC1=O 1298063 [0,1,0,0,0,0|1,0,1]=3 174 B8R1.5 CC1=NC=CN=C1C 22430620 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.5 ClC1=C(Br)C=CC=N1 7110952626 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.5 ClC1=C(Cl)C=CC=C1 2828763 [0,1,0,0,0,0|1,0,0]=2 177 B8R1.5 FC1=C(Br)C=CC=C1 1287411 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.5 FC1=C(F)C=CC=C1 2825885 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.5 NC1=C(Br)C=CC=N1 7110951380 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.5 NC1=C(Cl)C=CC=N1 7110951381 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.5 NC1=C(Cl)N=CC=C1 7110951374 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.5 NC1=C(F)C=CC=C1 2825775 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.5 NC1=C(N)C=CC=C1 22430366 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.5 NC1=C(N)C=CC=C1 2825714 [0,1,0,0,0,0|1,0,0]=2 185 B8R1.5 NC1=C(O)C=CC=C1 2129098 [0,1,0,0,0,0|0,0,0]=1 186 B8R1.5 NC1=CC=CC=C1Br 1362091 [0,1,0,0,0,0|1,0,0]=2 187 B8R1.5 NC1=CC=CC=C1Cl 2826458 [0,1,0,0,0,0|1,0,0]=2 188 B8R1.5 NC1=CC=CC=C1I 7020410063 [0,1,0,0,0,0|1,0,0]=2 189 B8R1.5 NC1=CC=CC=C1N 5753508 [0,1,0,0,0,0|1,0,0]=2 190 B8R1.5 NC1=NC=CC=C1O 1514722 [0,1,0,0,0,0|1,0,0]=2 191 B8R1.5 OC1=C(Br)C=CC=C1 1287430 [0,1,0,0,0,0|0,0,0]=1 192 B8R1.5 OC1=C(Cl)C=CC=C1 2826547 [0,1,0,0,0,0|0,0,0]=1 193 B8R1.5 OC1=C(F)C=CC=C1 22430483 [0,1,0,0,0,0|0,0,0]=1 194 B8R1.5 OC1=C(I)C=CC=C1 3191832 [0,1,0,0,0,0|0,0,0]=1 195 B8R1.5 OC1=C(O)C=CC=C1 2825747 [0,1,0,0,0,0|0,0,0]=1 196 B8R1.5 [O-][N+]1=C(Cl)C=CC=C1 5662452 [0,1,0,0,0,0|1,0,1]=3 197 B6R0.6 O=C\C=C\C=C\[O-] 22430332 [0,0,1,0,0,0|1,0,1]=3 198 B6R1.2 BrC1=CC=CS1 1362078 [0,0,0,0,1,0|2,0,0]=3 199 B6R1.2 BrC1=CNN=C1 1361121 [0,0,0,0,1,0|3,0,0]=4 200 B6R1.2 BrC1=CSC=C1 1362079 [0,0,0,0,1,0|2,0,0]=3 201 B6R1.2 CC1=CC=CO1 2825319 [0,0,0,0,1,0|2,0,0]=3 202 B6R1.2 CC1=CC=CS1 2825522 [0,0,0,0,1,0|2,0,0]=3 203 B6R1.2 CC1=CC=NN1 5009700 [0,0,0,0,1,0|3,0,0]=4 204 B6R1.2 CC1=CN=CN1 22430348 [0,0,0,0,1,0|3,0,0]=4 205 B6R1.2 CC1=CSC=C1 2816743 [0,0,0,0,1,0|2,0,0]=3 206 B6R1.2 CC1=CSC=N1 1287022 [0,0,0,0,1,0|3,0,0]=4 207 B6R1.2 CC1=NC=CN1 2825323 [0,0,0,0,1,0|3,0,0]=4 208 B6R1.2 CC1=NNC=C1 2816612 [0,0,0,0,1,0|3,0,0]=4 209 B6R1.2 CN1C=CC=C1 2825317 [0,0,0,0,1,0|2,0,0]=3 210 B6R1.2 CN1C=CN=C1 2825324 [0,0,0,0,1,0|3,0,0]=4 211 B6R1.2 ClC1=CC=CS1 2826105 [0,0,0,0,1,0|2,0,0]=3 212 B6R1.2 ClC1=NC=CN1 7135534 [0,0,0,0,1,0|3,0,0]=4 213 B6R1.2 IC1=CNN=C1 2630934 [0,0,0,0,1,0|3,0,0]=4 214 B6R1.2 NC1=CC=NN1 1182234 [0,0,0,0,1,0|3,0,0]=4 215 B6R1.2 NC1=CN=CN1 4666719 [0,0,0,0,1,0|3,0,0]=4 216 B6R1.2 NC1=CNN=C1 2212578 [0,0,0,0,1,0|3,0,0]=4 217 B6R1.2 NC1=NC=CS1 2825567 [0,0,0,0,1,0|3,0,0]=4 218 B6R1.2 NC1=NNC=C1 2816613 [0,0,0,0,1,0|3,0,0]=4 219 B6R1.2 O=C1C=CCC1 2825320 [0,0,0,0,1,0|0,0,3]=4 220 B6R1.2 SC1=NC=CN1 4061582 [0,0,0,0,1,0|2,1,0]=4 221 B5R0.1 C\C=C\C(=O)O 5252226 [1,0,1,0,0,0|1,0,1]=4 222 B7R0.4 C\C=C\C=C\C(=O)O 5810252 [0,1,1,0,0,0|1,0,0]=3 223 B7R0.6 NC(=O)\C=C/C(=O)O 8653754 [0,1,1,0,0,0|2,0,0]=4 224 B7R0.6 O=C(O)\C=C/C(=O)O 6057163 [0,1,1,0,0,0|2,0,0]=4 225 B7R1.1 CCC1=CC=CS1 2825840 [0,1,0,0,1,0|2,0,0]=4 226 B7R1.1 N#CC1=CC=CO1 2825449 [0,1,0,0,1,0|2,0,0]=4 227 B7R1.1 N#CC1=COC=C1 2816687 [0,1,0,0,1,0|2,0,0]=4 228 B7R1.1 N#CC1=CSC=C1 2825739 [0,1,0,0,1,0|2,0,0]=4 229 B7R1.1 NCC1=CC=CN1 7020542628 [0,1,0,0,1,0|2,0,0]=4 230 B7R1.1 NCC1=CC=CO1 1038603 [0,1,0,0,1,0|2,0,0]=4 231 B7R1.1 NCC1=CC=CS1 1038604 [0,1,0,0,1,0|2,0,0]=4 232 B7R1.1 O=CC1=CC=CN1 7020420392 [0,1,0,0,1,0|1,0,1]=4 233 B7R1.1 O=CC1=CC=CO1 988493 [0,1,0,0,1,0|1,0,1]=4 234 B7R1.1 O=CC1=CC=CS1 2048717 [0,1,0,0,1,0|1,0,1]=4 235 B7R1.1 O=CC1=CSC=C1 22430573 [0,1,0,0,1,0|1,0,1]=4 236 B7R1.1 OCC1=CC=CO1 2084339 [0,1,0,0,1,0|1,0,0]=3 237 B7R1.1 OCC1=CC=NO1 2128179 [0,1,0,0,1,0|2,0,0]=4 238 B7R1.1 OCC1=COC=C1 2816728 [0,1,0,0,1,0|1,0,0]=3 239 B7R1.1 OCC1=NNC=C1 2652239 [0,1,0,0,1,0|2,0,0]=4 240 B7R1.2 CC1=CSC(Br)=C1 4043755 [0,1,0,0,1,0|2,0,0]=4 241 B7R1.2 CC1=CSC(O)=N1 3354376 [0,1,0,0,1,0|2,0,0]=4 242 B7R1.2 CC1=NNC(O)=C1 7118292268 [0,1,0,0,1,0|2,0,0]=4 243 B7R1.2 ClC1=CC=C(Cl)S1 2829511 [0,1,0,0,1,0|2,0,0]=4 244 B7R1.2 O=C1C=CC(=O)O1 2825505 [0,1,0,0,1,0|1,0,1]=4 245 B7R1.2 O=C1NC(O)=CS1 9078850 [0,1,0,0,1,0|2,0,0]=4 246 B7R1.4 BrC1=COC=C1Br 6921831 [0,1,0,0,1,0|2,0,0]=4 247 B7R1.4 BrC1=CSC=C1Br 22430610 [0,1,0,0,1,0|2,0,0]=4 248 B9R1.1 CC1=CC=C(C#N)C=C1 1778674 [0,2,0,0,0,0|1,0,0]=3 249 B9R1.1 CC1=CC=C(C=O)C=C1 1901707 [0,2,0,0,0,0|0,0,1]=3 250 B9R1.1 CC1=CC=C(CCl)C=C1 1778944 [0,2,0,0,0,0|1,0,0]=3 251 B9R1.1 CC1=CC=C(CN)C=C1 7020330616 [0,2,0,0,0,0|1,0,0]=3 252 B9R1.1 CC1=CC=C(CN)C=N1 2214299 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.1 CC1=CC=C(NN)C=C1 1156633 [0,2,0,0,0,0|1,0,0]=3 254 B9R1.1 CC1=CC=C(NN)C=C1 2831425 [0,2,0,0,0,0|1,0,0]=3 255 B9R1.1 CC1=NC=C(C#N)C=C1 2817230 [0,2,0,0,0,0|2,0,0]=4 256 B9R1.1 CC1=NC=C(C=O)C=C1 2652418 [0,2,0,0,0,0|1,0,1]=4 257 B9R1.1 CCC1=CC=C(Br)C=C1 1904109 [0,2,0,0,0,0|1,0,0]=3 258 B9R1.1 CCC1=CC=C(N)C=C1 1271733 [0,2,0,0,0,0|1,0,0]=3 259 B9R1.1 CCC1=CC=C(O)C=C1 1506641 [0,2,0,0,0,0|0,0,0]=2 260 B9R1.1 CNC1=CC=C(O)C=C1 2216139 [0,2,0,0,0,0|0,0,0]=2 261 B9R1.1 COC1=CC=C(Br)C=C1 1287415 [0,2,0,0,0,0|0,0,0]=2 262 B9R1.1 COC1=CC=C(C)C=C1 2125386 [0,2,0,0,0,0|0,0,0]=2 263 B9R1.1 COC1=CC=C(F)C=C1 2826315 [0,2,0,0,0,0|0,0,0]=2 264 B9R1.1 COC1=CC=C(N)C=C1 1314578 [0,2,0,0,0,0|0,0,0]=2 265 B9R1.1 COC1=CC=C(O)C=C1 2826230 [0,2,0,0,0,0|0,0,0]=2 266 B9R1.1 COC1=NC=C(N)C=C1 7020410079 [0,2,0,0,0,0|1,0,0]=3 267 B9R1.1 COC1=NNC(=O)C=C1 6665650 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.1 CSC1=NC=C(N)C=C1 1119585 [0,2,0,0,0,0|1,1,0]=4 269 B9R1.1 ClCC1=CC=C(Cl)C=C1 1779740 [0,2,0,0,0,0|1,0,0]=3 270 B9R1.1 FC1=CC=C(CCl)C=C1 1779086 [0,2,0,0,0,0|1,0,0]=3 271 B9R1.1 N#CC1=CC=C(Br)C=C1 1506352 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.1 N#CC1=CC=C(Cl)C=C1 7119850520 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.1 N#CC1=CC=C(F)C=C1 1506429 [0,2,0,0,0,0|1,0,0]=3 274 B9R1.1 N#CC1=CC=C(N)C=C1 1509976 [0,2,0,0,0,0|1,0,0]=3 275 B9R1.1 N#CC1=CC=C(O)C=C1 2826111 [0,2,0,0,0,0|0,0,0]=2 276 B9R1.1 N#CC1=NC=C(Br)C=C1 22430505 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.1 NC1=CC=C(N=O)C=C1 3354442 [0,2,0,0,0,0|0,0,1]=3 278 B9R1.1 NCC1=CC=C(Br)C=C1 1782635 [0,2,0,0,0,0|1,0,0]=3 279 B9R1.1 NCC1=CC=C(Cl)C=C1 1038614 [0,2,0,0,0,0|1,0,0]=3 280 B9R1.1 NCC1=CC=C(F)C=C1 5946938 [0,2,0,0,0,0|1,0,0]=3 281 B9R1.1 NCC1=CC=C(F)C=C1 7020330617 [0,2,0,0,0,0|1,0,0]=3 282 B9R1.1 NCC1=CC=C(O)C=C1 2084288 [0,2,0,0,0,0|0,0,0]=2 283 B9R1.1 NNC1=CC=C(Br)C=C1 1156639 [0,2,0,0,0,0|1,0,0]=3 284 B9R1.1 NNC1=CC=C(Br)C=C1 22430444 [0,2,0,0,0,0|1,0,0]=3 285 B9R1.1 NNC1=CC=C(Cl)C=C1 1156638 [0,2,0,0,0,0|1,0,0]=3 286 B9R1.1 NNC1=CC=C(Cl)C=C1 3463727 [0,2,0,0,0,0|1,0,0]=3 287 B9R1.1 NNC1=CC=C(F)C=C1 4434688 [0,2,0,0,0,0|1,0,0]=3 288 B9R1.1 O=C1C=CC(=NO)C=C1 5974233 [0,2,0,0,0,0|0,0,0]=2 289 B9R1.1 O=CC1=CC=C(Br)C=C1 988590 [0,2,0,0,0,0|0,0,1]=3 290 B9R1.1 O=CC1=CC=C(Cl)C=C1 1901925 [0,2,0,0,0,0|0,0,1]=3 291 B9R1.1 O=CC1=CC=C(F)C=C1 1901719 [0,2,0,0,0,0|0,0,1]=3 292 B9R1.1 O=CC1=CC=C(O)C=C1 1194810 [0,2,0,0,0,0|0,0,0]=2 293 B9R1.1 O=NC1=CC=C(O)C=C1 11185890 [0,2,0,0,0,0|0,0,0]=2 294 B9R1.1 OCC1=CC=C(Cl)C=C1 1779009 [0,2,0,0,0,0|0,0,0]=2 295 B9R1.1 OCC1=CC=C(F)C=C1 1778712 [0,2,0,0,0,0|0,0,0]=2 296 B9R1.2 CC1=CC(C#N)=CC=C1 1901689 [0,2,0,0,0,0|1,0,0]=3 297 B9R1.2 CC1=CC=CC(C=O)=C1 1901706 [0,2,0,0,0,0|0,0,1]=3 298 B9R1.2 CC1=CC=CC(CCl)=C1 2048752 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.2 CC1=CC=CC(CN)=C1 1038610 [0,2,0,0,0,0|1,0,0]=3 300 B9R1.2 CCC1=CC(O)=CC=C1 2826182 [0,2,0,0,0,0|0,0,0]=2 301 B9R1.2 CNC1=CC(O)=CC=C1 2225858 [0,2,0,0,0,0|0,0,0]=2 302 B9R1.2 COC1=CC(N)=CC=C1 1314579 [0,2,0,0,0,0|0,0,0]=2 303 B9R1.2 COC1=CC=CC(Br)=C1 1287416 [0,2,0,0,0,0|0,0,0]=2 304 B9R1.2 COC1=CC=CC(O)=C1 1366571 [0,2,0,0,0,0|0,0,0]=2 305 B9R1.2 COC1=NC=CC(N)=N1 3665290 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.2 CSC1=NC=CC(O)=N1 3667578 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.2 ClCC1=CC(Cl)=CC=C1 2048847 [0,2,0,0,0,0|1,0,0]=3 308 B9R1.2 FC1=CC(CCl)=CC=C1 2048769 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.2 N#CC1=CC(Cl)=NC=C1 2827316 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.2 N#CC1=CC(N)=CC=C1 2826072 [0,2,0,0,0,0|1,0,0]=3 311 B9R1.2 N#CC1=CC=CC(Br)=C1 1903842 [0,2,0,0,0,0|1,0,0]=3 312 B9R1.2 N#CC1=CC=CC(Cl)=C1 1901869 [0,2,0,0,0,0|1,0,0]=3 313 B9R1.2 N#CC1=CC=CC(F)=C1 1901710 [0,2,0,0,0,0|1,0,0]=3 314 B9R1.2 N#CC1=NC=CC(Br)=C1 7110952495 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.2 N#CC1=NC=CC(Cl)=C1 7110952643 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.2 NCC1=CC=CC(N)=C1 6922927 [0,2,0,0,0,0|1,0,0]=3 317 B9R1.2 NNC1=CC(Cl)=CC=C1 1156640 [0,2,0,0,0,0|1,0,0]=3 318 B9R1.2 NNC1=CC(Cl)=CC=C1 3585957 [0,2,0,0,0,0|1,0,0]=3 319 B9R1.2 NNC1=NC(Cl)=CC=C1 2653334 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.2 O=CC1=CC(Br)=CC=C1 1904103 [0,2,0,0,0,0|0,0,1]=3 321 B9R1.2 O=CC1=CC(O)=CC=C1 2826165 [0,2,0,0,0,0|0,0,0]=2 322 B9R1.2 O=CC1=CC=CC(Cl)=C1 1901924 [0,2,0,0,0,0|0,0,1]=3 323 B9R1.2 O=CC1=CC=CC(F)=C1 1901720 [0,2,0,0,0,0|0,0,1]=3 324 B9R1.6 C=C(C)C1=CC=CC=C1 2826092 [0,2,0,0,0,0|1,0,0]=3 325 B9R1.6 CC(=O)C1=CC=CC=C1 1043797 [0,2,0,0,0,0|0,0,1]=3 326 B9R1.6 CC(=O)C1=CC=CN=C1 1778688 [0,2,0,0,0,0|1,0,1]=4 327 B9R1.6 CC(=O)C1=CC=NC=C1 2826148 [0,2,0,0,0,0|1,0,1]=4 328 B9R1.6 CC(=O)C1=NC=CC=C1 2826149 [0,2,0,0,0,0|1,0,1]=4 329 B9R1.6 CC(Br)C1=CC=CC=C1 2024133 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.6 CC(C)C1=CC=CC=C1 2826137 [0,2,0,0,0,0|1,0,0]=3 331 B9R1.6 CC(N)C1=CC=CC=C1 1500421 [0,2,0,0,0,0|1,0,0]=3 332 B9R1.6 CC(O)C1=NC=CC=C1 2422301 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.6 CN(C)C1=CC=CC=C1 2826155 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.6 CN(C)C1=CC=NC=C1 2826184 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.6 N=C(N)C1=CC=CC=C1 3337437 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.6 NC(=O)C1=CC=CC=C1 7113222106 [0,2,0,0,0,0|0,0,1]=3 337 B9R1.6 NC(=S)C1=CC=CC=C1 1001334 [0,2,0,0,0,0|0,1,0]=3 338 B9R1.6 NC(=S)C1=CC=CN=C1 2125389 [0,2,0,0,0,0|1,1,0]=4 339 B9R1.6 NC(=S)C1=CC=NC=C1 7020310245 [0,2,0,0,0,0|1,1,0]=4 340 B9R1.6 NC(=S)C1=NC=CC=C1 7213750105 [0,2,0,0,0,0|1,1,0]=4 341 B9R1.6 O=C(Cl)C1=CC=CN=C1 1051743 [0,2,0,0,0,0|1,0,1]=4 342 B9R1.6 O=C(Cl)C1=CC=NC=C1 4787240 [0,2,0,0,0,0|1,0,1]=4 343 B9R1.6 O=C(O)C1=CC=CC=C1 1778690 [0,2,0,0,0,0|0,0,0]=2 344 B9R1.6 O=C(O)C1=CC=CN=C1 2084332 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.6 O=C(O)C1=CC=NC=C1 22430647 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.6 O=C(O)C1=CC=NC=N1 0125330094 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.6 O=C(O)C1=CN=CC=N1 1051746 [0,2,0,0,0,0|2,0,0]=4 348 B9R1.6 O=C(O)C1=NC=CC=C1 1051744 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 2826202 [0,2,0,0,0,0|0,0,1]=3 350 B9R1.6 OB(O)C1=CC=CC=C1 971211 [0,2,0,0,0,0|0,0,0]=2 351 B9R1.8 BrCCC1=CC=CC=C1 2889217 [0,2,0,0,0,0|1,0,0]=3 352 B9R1.8 CCCC1=CC=CC=C1 2826136 [0,2,0,0,0,0|1,0,0]=3 353 B9R1.8 CCNC1=CC=CC=C1 1220427 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.8 CCOC1=CC=CC=C1 2826174 [0,2,0,0,0,0|0,0,0]=2 355 B9R1.8 CNCC1=CC=CC=C1 1268163 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.8 ClCCC1=CC=CC=C1 2827551 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.8 N#CCC1=CC=CC=C1 1519434 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.8 N#CCC1=NC=CC=C1 1287098 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.8 NCCC1=CC=CC=C1 1038619 [0,2,0,0,0,0|1,0,0]=3 360 B9R1.8 NNCC1=CC=CC=C1 1972969 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.8 O=C=NC1=CC=CC=C1 1051736 [0,2,0,0,0,0|0,0,1]=3 362 B9R1.8 O=C=NC1=CN=CC=C1 2817269 [0,2,0,0,0,0|1,0,1]=4 363 B9R1.8 O=CCC1=CC=CC=C1 1204419 [0,2,0,0,0,0|0,0,1]=3 364 B9R1.8 O=CNC1=CC=CC=C1 2826151 [0,2,0,0,0,0|0,0,1]=3 365 B9R1.8 OCCC1=CC=CC=C1 1204382 [0,2,0,0,0,0|0,0,0]=2 366 B9R1.8 OCCC1=CC=CC=N1 1204379 [0,2,0,0,0,0|1,0,0]=3 367 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.15 BrCC1=C(Br)C=CC=C1 4435191 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.15 CC1=C(C#N)C=CC=C1 1901688 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.15 CC1=C(C=O)C=CC=C1 1901705 [0,2,0,0,0,0|0,0,1]=3 371 B9R1.15 CC1=C(CCl)C=CC=C1 2048751 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.15 CC1=C(CN)C=CC=C1 1038609 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.15 CC1=C(CO)N=CC=C1 2817350 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.15 CC1=CC=CN=C1C#N 22430609 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.15 CC1=CC=CN=C1NN 1033422 [0,2,0,0,0,0|2,0,0]=4 376 B9R1.15 CCC1=C(N)C=CC=C1 2826161 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.15 CCC1=C(O)C=CC=C1 2826180 [0,2,0,0,0,0|0,0,0]=2 378 B9R1.15 CNC1=CC=CC=C1N 6871417 [0,2,0,0,0,0|1,0,0]=3 379 B9R1.15 COC1=C(Br)C=CC=C1 1287441 [0,2,0,0,0,0|0,0,0]=2 380 B9R1.15 COC1=C(C)C=CC=C1 2826177 [0,2,0,0,0,0|0,0,0]=2 381 B9R1.15 COC1=C(Cl)C=CC=C1 2827881 [0,2,0,0,0,0|0,0,0]=2 382 B9R1.15 COC1=C(F)C=CC=C1 2826313 [0,2,0,0,0,0|0,0,0]=2 383 B9R1.15 COC1=C(N)C=CC=C1 1314580 [0,2,0,0,0,0|0,0,0]=2 384 B9R1.15 COC1=C(O)C=CC=C1 2826229 [0,2,0,0,0,0|0,0,0]=2 385 B9R1.15 COC1=CC=CN=C1N 1514805 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.15 CSC1=CC=CC=C1Br 22430606 [0,2,0,0,0,0|0,1,0]=3 387 B9R1.15 ClCC1=C(Cl)C=CC=C1 2048846 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.15 FC1=CC=CC=C1CCl 2048768 [0,2,0,0,0,0|1,0,0]=3 389 B9R1.15 N#CC1=C(Br)C=CC=N1 3678667 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.15 N#CC1=C(F)C=CC=N1 3664957 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.15 N#CC1=C(N)C=CC=C1 2826071 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.15 N#CC1=C(N)N=CC=C1 7110951372 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.15 N#CC1=C(O)N=CC=C1 3664864 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.15 N#CC1=CC=CC=C1Cl 7119850361 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.15 N#CC1=CC=CC=C1F 1901709 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.15 N#CC1=CC=CC=C1O 2129603 [0,2,0,0,0,0|0,0,0]=2 397 B9R1.15 N#CC1=CC=CN=C1Br 7110952565 [0,2,0,0,0,0|2,0,0]=4 398 B9R1.15 N#CC1=CC=CN=C1Cl 2827314 [0,2,0,0,0,0|2,0,0]=4 399 B9R1.15 N#CC1=CN=CN=C1O 4810898 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.15 NCC1=C(Cl)C=CC=C1 1038613 [0,2,0,0,0,0|1,0,0]=3 401 B9R1.15 NCC1=C(F)C=CC=C1 7020330618 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.15 NCC1=C(F)C=CC=N1 5027490 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.15 NNC1=C(Cl)C=CC=C1 1156642 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.15 NNC1=C(F)C=CC=C1 2832682 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.15 O=CC1=C(Cl)C=CC=C1 1901923 [0,2,0,0,0,0|0,0,1]=3 406 B9R1.15 O=CC1=C(Cl)N=CC=C1 3667461 [0,2,0,0,0,0|1,0,1]=4 407 B9R1.15 O=CC1=C(F)C=CC=C1 1901718 [0,2,0,0,0,0|0,0,1]=3 408 B9R1.15 O=CC1=C(O)C=CC=C1 2129572 [0,2,0,0,0,0|0,0,0]=2 409 B9R1.15 O=CC1=CC=CC=C1Br 1904102 [0,2,0,0,0,0|0,0,1]=3 410 B9R1.15 O=CC1=NC=CC=C1Br 5161726 [0,2,0,0,0,0|1,0,1]=4 411 B9R1.15 OCC1=C(Cl)C=CC=C1 2048757 [0,2,0,0,0,0|0,0,0]=2 412 B9R1.15 OCC1=C(Cl)N=CC=C1 2819188 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.15 OCC1=CC=CC=C1Br 2049225 [0,2,0,0,0,0|0,0,0]=2 414 B9R1.15 OCC1=NC=CC=C1Br 11186520 [0,2,0,0,0,0|1,0,0]=3 415 B9R1.69 CC1=C(Br)C=C(N)C=C1 1232802 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 1907354 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.69 CC1=C(Br)C=CC(N)=C1 2928694 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.69 CC1=C(Br)C=CC(N)=N1 1056226 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.69 CC1=C(Br)C=NC(N)=C1 3680079 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.69 CC1=C(C)C=C(N)C=C1 1506569 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.69 CC1=C(Cl)C=C(Cl)C=C1 2832264 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.69 CC1=C(Cl)C=C(N)C=C1 2827697 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.69 CC1=C(Cl)C=CC(N)=C1 1506209 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.69 CC1=C(F)C=C(N)C=C1 2826270 [0,2,0,0,0,0|1,0,0]=3 425 B9R1.69 CC1=C(N)C=C(F)C=C1 2826269 [0,2,0,0,0,0|1,0,0]=3 426 B9R1.69 CC1=C(N)C=C(N)C=C1 7119571886 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.69 CC1=C(N)C=CC(Br)=C1 2928695 [0,2,0,0,0,0|1,0,0]=3 428 B9R1.69 CC1=C(N)C=CC(O)=C1 2817340 [0,2,0,0,0,0|0,0,0]=2 429 B9R1.69 CC1=C(O)C=C(F)C=C1 2817487 [0,2,0,0,0,0|0,0,0]=2 430 B9R1.69 CC1=C(O)C=CC(Cl)=C1 2827883 [0,2,0,0,0,0|0,0,0]=2 431 B9R1.69 CC1=C(O)C=CC(F)=C1 2817488 [0,2,0,0,0,0|0,0,0]=2 432 B9R1.69 CC1=C(O)C=CC(O)=C1 3476654 [0,2,0,0,0,0|0,0,0]=2 433 B9R1.69 CC1=CC(=O)NC=C1Br 2030883 [0,2,0,0,0,0|1,0,1]=4 434 B9R1.69 CC1=CC(Br)=C(F)C=C1 2894081 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.69 CC1=CC(Br)=C(N)C=C1 1362089 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.69 CC1=CC(Br)=C(O)C=C1 7020688430 [0,2,0,0,0,0|0,0,0]=2 437 B9R1.69 CC1=CC(Br)=CN=C1Cl 3463858 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.69 CC1=CC(Br)=CN=C1N 1513373 [0,2,0,0,0,0|2,0,0]=4 439 B9R1.69 CC1=CC(C)=C(C)C=C1 2826135 [0,2,0,0,0,0|1,0,0]=3 440 B9R1.69 CC1=CC(C)=C(N)C=C1 1506500 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.69 CC1=CC(C)=C(O)C=C1 1506502 [0,2,0,0,0,0|0,0,0]=2 442 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 2832265 [0,2,0,0,0,0|1,0,0]=3 443 B9R1.69 CC1=CC(Cl)=CC=C1F 5023746 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.69 CC1=CC(Cl)=CC=C1N 2827698 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.69 CC1=CC(N)=C(Br)C=C1 3353963 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.69 CC1=CC(N)=C(C)C=C1 1506535 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.69 CC1=CC(N)=C(O)C=C1 2129099 [0,2,0,0,0,0|0,0,0]=2 448 B9R1.69 CC1=CC(N)=CC=C1Br 5980477 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.69 CC1=CC(O)=C(C)C=C1 1506537 [0,2,0,0,0,0|0,0,0]=2 450 B9R1.69 CC1=CC(O)=C(O)C=C1 22430531 [0,2,0,0,0,0|0,0,0]=2 451 B9R1.69 CC1=CC(O)=CC=C1Cl 1506211 [0,2,0,0,0,0|0,0,0]=2 452 B9R1.69 CC1=CC=C(Cl)C=C1N 2827701 [0,2,0,0,0,0|1,0,0]=3 453 B9R1.69 CC1=CC=C(N)C(N)=C1 2128502 [0,2,0,0,0,0|1,0,0]=3 454 B9R1.69 CC1=CC=C(N)C(O)=C1 2826207 [0,2,0,0,0,0|0,0,0]=2 455 B9R1.69 CC1=CC=C(O)C=C1C 1506571 [0,2,0,0,0,0|0,0,0]=2 456 B9R1.69 CC1=CN=C(N)C(N)=C1 12405099 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.69 CN1C=C(N)C=CC1=O 11181176 [0,2,0,0,0,0|1,0,1]=4 458 B9R1.69 NC1=C(Br)C=NC(O)=N1 6080172 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.69 NC1=C(Cl)C=C(Cl)C=C1 1506256 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.69 NC1=C(Cl)C=CC(Cl)=C1 1506101 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.69 NC1=C(F)C=C(F)C=C1 2826553 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.69 NC1=C(F)C=C(I)C=C1 1232819 [0,2,0,0,0,0|1,0,0]=3 463 B9R1.69 NC1=C(F)C=CC(F)=C1 2826554 [0,2,0,0,0,0|1,0,0]=3 464 B9R1.69 NC1=C(O)C=C(Br)C=C1 2212763 [0,2,0,0,0,0|0,0,0]=2 465 B9R1.69 NC1=C(O)C=CC(Cl)=C1 7119850301 [0,2,0,0,0,0|0,0,0]=2 466 B9R1.69 NC1=C(O)C=CC(O)=C1 3585879 [0,2,0,0,0,0|0,0,0]=2 467 B9R1.69 NC1=C(O)N=CC(Br)=C1 2212889 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.69 NC1=CC(Br)=CC=C1O 2129101 [0,2,0,0,0,0|0,0,0]=2 469 B9R1.69 NC1=CC(Cl)=C(Cl)C=C1 1506138 [0,2,0,0,0,0|1,0,0]=3 470 B9R1.69 NC1=CC(Cl)=C(F)C=C1 2828543 [0,2,0,0,0,0|1,0,0]=3 471 B9R1.69 NC1=CC(Cl)=C(N)C=C1 1973130 [0,2,0,0,0,0|1,0,0]=3 472 B9R1.69 NC1=CC(F)=C(F)C=C1 2826556 [0,2,0,0,0,0|1,0,0]=3 473 B9R1.69 NC1=CC(F)=CC=C1O 2129100 [0,2,0,0,0,0|0,0,0]=2 474 B9R1.69 NC1=CC(N)=C(N)N=C1 4060827 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.69 NC1=CC=C(Br)C(Cl)=C1 1362093 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.69 NC1=CC=C(Br)C(N)=N1 7110952555 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.69 NC1=CC=C(Br)C=C1F 2933490 [0,2,0,0,0,0|1,0,0]=3 478 B9R1.69 NC1=CC=C(Br)C=C1I 22430330 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.69 NC1=CC=C(Br)C=C1N 1366501 [0,2,0,0,0,0|1,0,0]=3 480 B9R1.69 NC1=CC=C(F)C=C1N 7020710111 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.69 NC1=CC=C(O)C(N)=C1 22430625 [0,2,0,0,0,0|0,0,0]=2 482 B9R1.69 NC1=NC=C(Br)C=C1Br 1119587 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.69 NC1=NC=C(Cl)C=C1Cl 7110952554 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.69 NC1=NC=C(F)C=C1Br 6850688 [0,2,0,0,0,0|2,0,0]=4 485 B9R1.69 NC1=NC=C(F)C=C1Cl 15386613 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.69 OC1=C(Br)C=CC(F)=C1 4030884 [0,2,0,0,0,0|0,0,0]=2 487 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 1506103 [0,2,0,0,0,0|0,0,0]=2 488 B9R1.69 OC1=C(Cl)C=CC(F)=C1 4057836 [0,2,0,0,0,0|0,0,0]=2 489 B9R1.69 OC1=C(F)C=C(F)C=C1 2826656 [0,2,0,0,0,0|0,0,0]=2 490 B9R1.69 OC1=CC(F)=C(F)C=C1 2826655 [0,2,0,0,0,0|0,0,0]=2 491 B9R1.69 OC1=CC(O)=C(Cl)C=C1 2828307 [0,2,0,0,0,0|0,0,0]=2 492 B9R1.69 OC1=CC=C(Cl)C=C1Br 7020688455 [0,2,0,0,0,0|0,0,0]=2 493 B9R1.69 OC1=CC=C(Cl)C=C1Cl 1506258 [0,2,0,0,0,0|0,0,0]=2 494 B9R1.69 OC1=NC(O)=C(Br)C=N1 2934055 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.3 CC1=C(C)C(N)=CC=C1 2826156 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.3 CC1=C(N)C=CC=C1Cl 2827699 [0,2,0,0,0,0|1,0,0]=3 497 B9R1.3 CC1=C(O)C(=O)C=CO1 1528879 [0,2,0,0,0,0|1,0,0]=3 498 B9R1.3 CC1=C(O)C=CC=C1O 2826226 [0,2,0,0,0,0|0,0,0]=2 499 B9R1.3 CC1=CC=CC(C)=C1N 3463719 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.3 CC1=CC=CC(C)=C1O 2826178 [0,2,0,0,0,0|0,0,0]=2 501 B9R1.3 CC1=CC=CC(O)=C1C 2826175 [0,2,0,0,0,0|0,0,0]=2 502 B9R1.3 CC1=CN=CC(C)=C1Cl 6001409 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.3 NC1=C(Br)C=NC=C1Br 7110951384 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.3 NC1=C(Cl)C(Cl)=CC=C1 2832526 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.3 NC1=C(Cl)C=NC=C1Cl 7017520048 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.3 NC1=C(F)C=CC=C1F 2826555 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.3 NC1=C(O)C(Cl)=CC=C1 2213720 [0,2,0,0,0,0|0,0,0]=2 508 B9R1.3 O=C1C(O)=COC=C1Br 4030888 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.3 OC1=C(Cl)C(Cl)=CC=C1 2832700 [0,2,0,0,0,0|0,0,0]=2 510 B9R1.3 OC1=CC=CC(O)=C1O 2826301 [0,2,0,0,0,0|0,0,0]=2 511 B9R1.34 CC1=CC(=S)C=C(C)O1 0107910002 [0,2,0,0,0,0|1,1,0]=4 512 B9R1.34 CC1=CC(Br)=CC(F)=C1 2630801 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.34 CC1=CC(Br)=CC(N)=C1 2125309 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.34 CC1=CC(Br)=CC(O)=C1 2125311 [0,2,0,0,0,0|0,0,0]=2 515 B9R1.34 CC1=CC(C)=CC(C)=C1 2826134 [0,2,0,0,0,0|1,0,0]=3 516 B9R1.34 CC1=CC(C)=CC(N)=C1 2826158 [0,2,0,0,0,0|1,0,0]=3 517 B9R1.34 CC1=CC(C)=CC(O)=C1 2826179 [0,2,0,0,0,0|0,0,0]=2 518 B9R1.34 CC1=CC(C)=C[N+]([O-])=C1 22430300 [0,2,0,0,0,0|1,0,1]=4 519 B9R1.34 CC1=CC(C)=NC(C)=C1 2826157 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.34 CC1=CC(O)=CC(=O)N1 3851352 [0,2,0,0,0,0|1,0,0]=3 521 B9R1.34 CC1=CC(O)=CC(=O)O1 2826304 [0,2,0,0,0,0|1,0,0]=3 522 B9R1.34 CC1=CC(O)=CC(O)=C1 7127769 [0,2,0,0,0,0|0,0,0]=2 523 B9R1.34 ClC1=CC(Cl)=CC(Cl)=C1 5970144 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.34 NC1=CC(Cl)=CC(Cl)=C1 2832528 [0,2,0,0,0,0|1,0,0]=3 525 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 2832699 [0,2,0,0,0,0|0,0,0]=2 526 B9R1.34 OC1=CC(F)=CC(F)=C1 2817831 [0,2,0,0,0,0|0,0,0]=2 527 B9R1.34 OC1=CC(O)=CC(O)=C1 2826303 [0,2,0,0,0,0|0,0,0]=2 528 B5R1.1 C1=CNC=N1 5023602 [1,0,0,0,1,0|2,0,0]=4 529 B5R1.1 C1=COC=C1 22430529 [1,0,0,0,1,0|1,0,0]=3 530 B5R1.1 C1=CSC=C1 2825345 [1,0,0,0,1,0|1,0,0]=3