0 B7R1.1 BrCC1=CC=CO1 MCULE-5096860465 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.1 BrCC1=CC=CS1 MCULE-6293280067 [0,0,0,0,0,0|1,1,0]=2 2 B7R1.1 BrCC1=CC=NO1 MCULE-4124334018 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.1 BrCC1=CC=NS1 MCULE-3188918692 [0,0,0,0,0,0|2,1,0]=3 4 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.1 BrCC1=CN=CO1 MCULE-2008795038 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.1 BrCC1=CN=CS1 MCULE-3631618485 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.1 BrCC1=CN=CS1 MCULE-4222086494 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.1 BrCC1=CN=NS1 MCULE-3334898516 [0,0,0,0,0,0|3,1,0]=4 9 B7R1.1 BrCC1=CN=NS1 MCULE-4538365770 [0,0,0,0,0,0|3,1,0]=4 10 B7R1.1 BrCC1=CNC=N1 MCULE-6187548628 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 BrCC1=CNC=N1 MCULE-8757048208 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 BrCC1=CNN=C1 MCULE-2115607467 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 BrCC1=CNN=C1 MCULE-2332884190 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 BrCC1=COC=C1 MCULE-3143969430 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 BrCC1=COC=N1 MCULE-6352763539 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 BrCC1=COC=N1 MCULE-7780748738 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 BrCC1=CON=C1 MCULE-6174675524 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 BrCC1=CSC=C1 MCULE-1765288837 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 BrCC1=CSC=N1 MCULE-4159109721 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 BrCC1=CSC=N1 MCULE-5489198868 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.1 BrCC1=CSN=C1 MCULE-7286847372 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 BrCC1=CSN=N1 MCULE-5406134530 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 BrCC1=NC=CN1 MCULE-3670310588 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 BrCC1=NC=CN1 MCULE-6876000932 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.1 BrCC1=NC=CO1 MCULE-7293850901 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.1 BrCC1=NC=CO1 MCULE-9076338518 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.1 BrCC1=NC=CS1 MCULE-2352863122 [0,0,0,0,0,0|2,1,0]=3 28 B7R1.1 BrCC1=NC=CS1 MCULE-5186135822 [0,0,0,0,0,0|2,1,0]=3 29 B7R1.1 BrCC1=NC=NO1 MCULE-3123325033 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 BrCC1=NNC=C1 MCULE-6526927748 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.1 BrCC1=NNC=C1 MCULE-9410968974 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 BrCC1=NOC=C1 MCULE-2989529472 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.1 BrCC1=NOC=N1 MCULE-2610618966 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.1 BrCC1=NON=C1 MCULE-2509686586 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.1 BrCC1=NSC=C1 MCULE-8503387099 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.1 BrCC1=NSN=C1 MCULE-6923931192 [0,0,0,0,0,0|4,0,0]=4 37 B7R1.1 BrCC1C=CCC1 MCULE-4270104932 [0,0,0,0,0,0|2,0,2]=4 38 B7R1.1 BrCC1CC=CC1 MCULE-8694814510 [0,0,0,0,0,0|2,0,2]=4 39 B7R1.1 BrCN1C=CC=N1 MCULE-4725249683 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.1 BrCN1C=CC=N1 MCULE-6011179701 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 C#CC1=CC=CN1 MCULE-9413657940 [0,0,0,0,0,0|2,0,1]=3 42 B7R1.1 C#CC1=CC=CO1 MCULE-9828059853 [0,0,0,0,0,0|1,0,1]=2 43 B7R1.1 C#CC1=CC=CS1 MCULE-5617128233 [0,0,0,0,0,0|1,1,1]=3 44 B7R1.1 C#CC1=CN=CN1 MCULE-3603058316 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.1 C#CC1=CN=CS1 MCULE-6452106859 [0,0,0,0,0,0|2,1,1]=4 46 B7R1.1 C#CC1=CN=CS1 MCULE-7169022257 [0,0,0,0,0,0|2,1,1]=4 47 B7R1.1 C#CC1=CNC=C1 MCULE-5099428162 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.1 C#CC1=COC=C1 MCULE-3502201281 [0,0,0,0,0,0|3,0,1]=4 49 B7R1.1 C#CC1=CSC=C1 MCULE-7658927383 [0,0,0,0,0,0|3,0,1]=4 50 B7R1.1 C#CC1=CSC=N1 MCULE-8515910121 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.1 C#CC1=NC=CS1 MCULE-2697799667 [0,0,0,0,0,0|2,1,1]=4 52 B7R1.1 C#CC1=NNC=C1 MCULE-9550332434 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.1 C#CN1C=CC=C1 MCULE-3238559982 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.1 C=CC1=CC=CO1 MCULE-1348308043 [0,0,0,0,0,0|1,0,1]=2 55 B7R1.1 C=CC1=CC=CS1 MCULE-8257886217 [0,0,0,0,0,0|1,1,1]=3 56 B7R1.1 C=CC1=CN=CN1 MCULE-3254889569 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.1 C=CC1=COC=C1 MCULE-5956408409 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.1 C=CC1=CSC=C1 MCULE-7392660446 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.1 C=CC1=NC=CN1 MCULE-1557838075 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.1 C=CC1=NC=CS1 MCULE-1085748238 [0,0,0,0,0,0|2,1,1]=4 61 B7R1.1 C=CC1=NNC=C1 MCULE-6686249168 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.1 C=CN1C=CC=N1 MCULE-4783002357 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.1 CCC1=CC=CN1 MCULE-9168935708 [0,0,0,0,0,0|2,0,0]=2 64 B7R1.1 CCC1=CC=CO1 MCULE-6819919667 [0,0,0,0,0,0|1,0,0]=1 65 B7R1.1 CCC1=CC=CS1 MCULE-1811294638 [0,0,0,0,0,0|1,1,0]=2 66 B7R1.1 CCC1=CC=NO1 MCULE-9851288273 [0,0,0,0,0,0|2,0,0]=2 67 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [0,0,0,0,0,0|2,0,2]=4 68 B7R1.1 CCC1=CNC=C1 MCULE-7105940220 [0,0,0,0,0,0|3,0,0]=3 69 B7R1.1 CCC1=CNC=N1 MCULE-8328486416 [0,0,0,0,0,0|3,0,0]=3 70 B7R1.1 CCC1=CNN=C1 MCULE-1620759157 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.1 CCC1=CSC=C1 MCULE-7192433774 [0,0,0,0,0,0|3,0,0]=3 72 B7R1.1 CCC1=CSC=N1 MCULE-5672164022 [0,0,0,0,0,0|3,0,0]=3 73 B7R1.1 CCC1=NC=CN1 MCULE-8797415647 [0,0,0,0,0,0|3,0,0]=3 74 B7R1.1 CCC1=NC=CS1 MCULE-6172218863 [0,0,0,0,0,0|2,1,0]=3 75 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [0,0,0,0,0,0|2,0,2]=4 76 B7R1.1 CCC1=NN=CO1 MCULE-5874936167 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.1 CCC1=NNC=C1 MCULE-4688737607 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.1 CCC1=NNC=N1 MCULE-8717994372 [0,0,0,0,0,0|4,0,0]=4 79 B7R1.1 CCC1C=CCN1 MCULE-4549893906 [0,0,0,0,0,0|2,0,2]=4 80 B7R1.1 CCC1C=CCN1 MCULE-7209552603 [0,0,0,0,0,0|2,0,2]=4 81 B7R1.1 CCN1C=CC=C1 MCULE-7636090544 [0,0,0,0,0,0|3,0,0]=3 82 B7R1.1 CCN1C=CC=N1 MCULE-3243448790 [0,0,0,0,0,0|3,0,0]=3 83 B7R1.1 CCN1C=CN=C1 MCULE-1925854308 [0,0,0,0,0,0|4,0,0]=4 84 B7R1.1 CCN1C=CN=N1 MCULE-6925302885 [0,0,0,0,0,0|4,0,0]=4 85 B7R1.1 CCN1C=NC=N1 MCULE-3982535071 [0,0,0,0,0,0|4,0,0]=4 86 B7R1.1 CNC1=CC=CS1 MCULE-4218853022 [0,0,0,0,0,0|2,1,0]=3 87 B7R1.1 CNC1=CC=NN1 MCULE-8114468592 [0,0,0,0,0,0|4,0,0]=4 88 B7R1.1 CNC1=CSC=C1 MCULE-1287628025 [0,0,0,0,0,0|4,0,0]=4 89 B7R1.1 CNC1=CSC=C1 MCULE-5325332143 [0,0,0,0,0,0|4,0,0]=4 90 B7R1.1 CNC1=NC=CN1 MCULE-2079992096 [0,0,0,0,0,0|4,0,0]=4 91 B7R1.1 CNC1=NC=CN1 MCULE-4803913104 [0,0,0,0,0,0|4,0,0]=4 92 B7R1.1 CNC1=NC=CO1 MCULE-4226358416 [0,0,0,0,0,0|3,0,0]=3 93 B7R1.1 CNC1=NC=CS1 MCULE-8467756988 [0,0,0,0,0,0|3,1,0]=4 94 B7R1.1 CNC1=NN=CO1 MCULE-2942390353 [0,0,0,0,0,0|4,0,0]=4 95 B7R1.1 CNC1=NOC=C1 MCULE-1266569249 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.1 CNC1=NOC=C1 MCULE-2599186829 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.1 COC1=CC=CO1 MCULE-4991744131 [0,0,0,0,0,0|2,0,0]=2 98 B7R1.1 COC1=CC=CS1 MCULE-9593910029 [0,0,0,0,0,0|2,1,0]=3 99 B7R1.1 COC1=COC=C1 MCULE-7798852925 [0,0,0,0,0,0|4,0,0]=4 100 B7R1.1 COC1=CSC=C1 MCULE-3476811638 [0,0,0,0,0,0|4,0,0]=4 101 B7R1.1 COC1=NC=CS1 MCULE-3994738925 [0,0,0,0,0,0|3,1,0]=4 102 B7R1.1 COC1=NNC=C1 MCULE-5382090787 [0,0,0,0,0,0|4,0,0]=4 103 B7R1.1 COC1=NSC=C1 MCULE-5378872433 [0,0,0,0,0,0|4,0,0]=4 104 B7R1.1 CSC1=CC=CO1 MCULE-6438587509 [0,0,0,0,0,0|2,0,0]=2 105 B7R1.1 CSC1=CC=CS1 MCULE-7026431414 [0,0,0,0,0,0|2,1,0]=3 106 B7R1.1 CSC1=CNC=N1 MCULE-3026662926 [0,0,0,0,0,0|4,0,0]=4 107 B7R1.1 CSC1=CSC=C1 MCULE-2498616036 [0,0,0,0,0,0|4,0,0]=4 108 B7R1.1 CSC1=NC=CN1 MCULE-8421202776 [0,0,0,0,0,0|4,0,0]=4 109 B7R1.1 CSC1=NC=CO1 MCULE-4140293694 [0,0,0,0,0,0|3,0,0]=3 110 B7R1.1 CSC1=NC=CS1 MCULE-2725106891 [0,0,0,0,0,0|3,1,0]=4 111 B7R1.1 ClCC1=CC=CO1 MCULE-2683635266 [0,0,0,0,0,0|1,0,0]=1 112 B7R1.1 ClCC1=CC=CS1 MCULE-8332782682 [0,0,0,0,0,0|1,1,0]=2 113 B7R1.1 ClCC1=CC=NO1 MCULE-5240884287 [0,0,0,0,0,0|2,0,0]=2 114 B7R1.1 ClCC1=CC=NS1 MCULE-1735467564 [0,0,0,0,0,0|2,1,0]=3 115 B7R1.1 ClCC1=CN=CN1 MCULE-2232172667 [0,0,0,0,0,0|3,0,0]=3 116 B7R1.1 ClCC1=CN=CN1 MCULE-6745810842 [0,0,0,0,0,0|3,0,0]=3 117 B7R1.1 ClCC1=CN=CO1 MCULE-3059549694 [0,0,0,0,0,0|2,0,0]=2 118 B7R1.1 ClCC1=CN=CO1 MCULE-5157324132 [0,0,0,0,0,0|2,0,0]=2 119 B7R1.1 ClCC1=CN=CS1 MCULE-5872272362 [0,0,0,0,0,0|2,1,0]=3 120 B7R1.1 ClCC1=CN=CS1 MCULE-9125524736 [0,0,0,0,0,0|2,1,0]=3 121 B7R1.1 ClCC1=CN=NS1 MCULE-6551250762 [0,0,0,0,0,0|3,1,0]=4 122 B7R1.1 ClCC1=CNN=C1 MCULE-5220574680 [0,0,0,0,0,0|4,0,0]=4 123 B7R1.1 ClCC1=CNN=C1 MCULE-7296587828 [0,0,0,0,0,0|4,0,0]=4 124 B7R1.1 ClCC1=CNN=N1 MCULE-7489974615 [0,0,0,0,0,0|4,0,0]=4 125 B7R1.1 ClCC1=CNN=N1 MCULE-7933864829 [0,0,0,0,0,0|4,0,0]=4 126 B7R1.1 ClCC1=COC=N1 MCULE-4610279752 [0,0,0,0,0,0|3,0,0]=3 127 B7R1.1 ClCC1=COC=N1 MCULE-5727172683 [0,0,0,0,0,0|3,0,0]=3 128 B7R1.1 ClCC1=CON=C1 MCULE-7196518100 [0,0,0,0,0,0|4,0,0]=4 129 B7R1.1 ClCC1=CSC=C1 MCULE-7066080407 [0,0,0,0,0,0|3,0,0]=3 130 B7R1.1 ClCC1=CSC=N1 MCULE-6982595769 [0,0,0,0,0,0|3,0,0]=3 131 B7R1.1 ClCC1=CSC=N1 MCULE-7136599465 [0,0,0,0,0,0|3,0,0]=3 132 B7R1.1 ClCC1=CSN=C1 MCULE-2176872399 [0,0,0,0,0,0|4,0,0]=4 133 B7R1.1 ClCC1=CSN=N1 MCULE-3241090703 [0,0,0,0,0,0|4,0,0]=4 134 B7R1.1 ClCC1=NC=CN1 MCULE-7384129070 [0,0,0,0,0,0|3,0,0]=3 135 B7R1.1 ClCC1=NC=CN1 MCULE-9116539716 [0,0,0,0,0,0|3,0,0]=3 136 B7R1.1 ClCC1=NC=CO1 MCULE-8397270188 [0,0,0,0,0,0|2,0,0]=2 137 B7R1.1 ClCC1=NC=CS1 MCULE-1185780356 [0,0,0,0,0,0|2,1,0]=3 138 B7R1.1 ClCC1=NC=CS1 MCULE-4939629994 [0,0,0,0,0,0|2,1,0]=3 139 B7R1.1 ClCC1=NC=NN1 MCULE-7364245648 [0,0,0,0,0,0|4,0,0]=4 140 B7R1.1 ClCC1=NC=NO1 MCULE-8352114139 [0,0,0,0,0,0|3,0,0]=3 141 B7R1.1 ClCC1=NCCO1 MCULE-8789331570 [0,0,0,0,0,0|2,0,2]=4 142 B7R1.1 ClCC1=NN=CO1 MCULE-2778881721 [0,0,0,0,0,0|3,0,0]=3 143 B7R1.1 ClCC1=NN=CS1 MCULE-6414520674 [0,0,0,0,0,0|3,1,0]=4 144 B7R1.1 ClCC1=NNC=C1 MCULE-1796939171 [0,0,0,0,0,0|3,0,0]=3 145 B7R1.1 ClCC1=NNC=C1 MCULE-4973996041 [0,0,0,0,0,0|3,0,0]=3 146 B7R1.1 ClCC1=NNC=N1 MCULE-9713869309 [0,0,0,0,0,0|4,0,0]=4 147 B7R1.1 ClCC1=NOC=C1 MCULE-2047090303 [0,0,0,0,0,0|3,0,0]=3 148 B7R1.1 ClCC1=NOC=N1 MCULE-4757110919 [0,0,0,0,0,0|4,0,0]=4 149 B7R1.1 ClCC1=NON=C1 MCULE-7498559704 [0,0,0,0,0,0|4,0,0]=4 150 B7R1.1 ClCC1=NSC=C1 MCULE-6780613233 [0,0,0,0,0,0|3,0,0]=3 151 B7R1.1 ClCC1=NSN=C1 MCULE-9540524221 [0,0,0,0,0,0|4,0,0]=4 152 B7R1.1 ClCN1C=CC=N1 MCULE-1905851399 [0,0,0,0,0,0|3,0,0]=3 153 B7R1.1 ClCN1C=CC=N1 MCULE-5068940089 [0,0,0,0,0,0|3,0,0]=3 154 B7R1.1 ClCN1C=NC=N1 MCULE-4822959081 [0,0,0,0,0,0|4,0,0]=4 155 B7R1.1 ClCN1C=NC=N1 MCULE-6448270020 [0,0,0,0,0,0|4,0,0]=4 156 B7R1.1 ClCN1N=CC=N1 MCULE-1609508097 [0,0,0,0,0,0|4,0,0]=4 157 B7R1.1 ICC1=CC=CO1 MCULE-7510696289 [0,0,0,0,0,0|1,0,0]=1 158 B7R1.1 ICC1CC=CC1 MCULE-8435970870 [0,0,0,0,0,0|2,0,2]=4 159 B7R1.1 N#CC1=CC=CN1 MCULE-6899253259 [0,0,0,0,0,0|2,0,1]=3 160 B7R1.1 N#CC1=CC=CO1 MCULE-5841072941 [0,0,0,0,0,0|1,0,1]=2 161 B7R1.1 N#CC1=CC=CS1 MCULE-7011229152 [0,0,0,0,0,0|1,1,1]=3 162 B7R1.1 N#CC1=CC=NO1 MCULE-7077626645 [0,0,0,0,0,0|2,0,1]=3 163 B7R1.1 N#CC1=CN=CO1 MCULE-1416925791 [0,0,0,0,0,0|2,0,1]=3 164 B7R1.1 N#CC1=CN=CS1 MCULE-5960696338 [0,0,0,0,0,0|2,1,1]=4 165 B7R1.1 N#CC1=CNC=C1 MCULE-6927599825 [0,0,0,0,0,0|3,0,1]=4 166 B7R1.1 N#CC1=CNC=N1 MCULE-9113981674 [0,0,0,0,0,0|3,0,1]=4 167 B7R1.1 N#CC1=COC=C1 MCULE-2780890997 [0,0,0,0,0,0|3,0,1]=4 168 B7R1.1 N#CC1=COC=N1 MCULE-5881490611 [0,0,0,0,0,0|3,0,1]=4 169 B7R1.1 N#CC1=CSC=C1 MCULE-1574699882 [0,0,0,0,0,0|3,0,1]=4 170 B7R1.1 N#CC1=CSC=N1 MCULE-1330280929 [0,0,0,0,0,0|3,0,1]=4 171 B7R1.1 N#CC1=NC=CN1 MCULE-4750193618 [0,0,0,0,0,0|3,0,1]=4 172 B7R1.1 N#CC1=NC=CN1 MCULE-5061160655 [0,0,0,0,0,0|3,0,1]=4 173 B7R1.1 N#CC1=NC=CO1 MCULE-7957874271 [0,0,0,0,0,0|2,0,1]=3 174 B7R1.1 N#CC1=NC=CS1 MCULE-7367467537 [0,0,0,0,0,0|2,1,1]=4 175 B7R1.1 N#CC1=NNC=C1 MCULE-5137512901 [0,0,0,0,0,0|3,0,1]=4 176 B7R1.1 N#CC1=NOC=C1 MCULE-2092442780 [0,0,0,0,0,0|3,0,1]=4 177 B7R1.1 N#CC1=NSC=C1 MCULE-8132950693 [0,0,0,0,0,0|3,0,1]=4 178 B7R1.1 NCC1=CC=CN1 MCULE-3221298054 [0,0,0,0,0,0|2,0,0]=2 179 B7R1.1 NCC1=CC=CN1 MCULE-5686156853 [0,0,0,0,0,0|2,0,0]=2 180 B7R1.1 NCC1=CC=CO1 MCULE-3035218209 [0,0,0,0,0,0|1,0,0]=1 181 B7R1.1 NCC1=CC=CO1 MCULE-8280847881 [0,0,0,0,0,0|1,0,0]=1 182 B7R1.1 NCC1=CC=CS1 MCULE-5730076896 [0,0,0,0,0,0|1,1,0]=2 183 B7R1.1 NCC1=CC=CS1 MCULE-5815289362 [0,0,0,0,0,0|1,1,0]=2 184 B7R1.1 NCC1=CC=NN1 MCULE-2352502395 [0,0,0,0,0,0|3,0,0]=3 185 B7R1.1 NCC1=CC=NN1 MCULE-7934942905 [0,0,0,0,0,0|3,0,0]=3 186 B7R1.1 NCC1=CC=NN1 MCULE-9469121087 [0,0,0,0,0,0|3,0,0]=3 187 B7R1.1 NCC1=CC=NO1 MCULE-4504896342 [0,0,0,0,0,0|2,0,0]=2 188 B7R1.1 NCC1=CC=NO1 MCULE-6113708508 [0,0,0,0,0,0|2,0,0]=2 189 B7R1.1 NCC1=CC=NS1 MCULE-2457899011 [0,0,0,0,0,0|2,1,0]=3 190 B7R1.1 NCC1=CC=NS1 MCULE-8286613579 [0,0,0,0,0,0|2,1,0]=3 191 B7R1.1 NCC1=CC=NS1 MCULE-9144560486 [0,0,0,0,0,0|2,1,0]=3 192 B7R1.1 NCC1=CN=CN1 MCULE-2837719934 [0,0,0,0,0,0|3,0,0]=3 193 B7R1.1 NCC1=CN=CN1 MCULE-9485048774 [0,0,0,0,0,0|3,0,0]=3 194 B7R1.1 NCC1=CN=CO1 MCULE-4275074650 [0,0,0,0,0,0|2,0,0]=2 195 B7R1.1 NCC1=CN=CO1 MCULE-7384356342 [0,0,0,0,0,0|2,0,0]=2 196 B7R1.1 NCC1=CN=CO1 MCULE-8227331702 [0,0,0,0,0,0|2,0,0]=2 197 B7R1.1 NCC1=CN=CS1 MCULE-1195188698 [0,0,0,0,0,0|2,1,0]=3 198 B7R1.1 NCC1=CN=CS1 MCULE-3436822675 [0,0,0,0,0,0|2,1,0]=3 199 B7R1.1 NCC1=CN=CS1 MCULE-4212339163 [0,0,0,0,0,0|2,1,0]=3 200 B7R1.1 NCC1=CN=CS1 MCULE-8576407401 [0,0,0,0,0,0|2,1,0]=3 201 B7R1.1 NCC1=CN=NS1 MCULE-3662506171 [0,0,0,0,0,0|3,1,0]=4 202 B7R1.1 NCC1=CNC=C1 MCULE-1100801530 [0,0,0,0,0,0|3,0,0]=3 203 B7R1.1 NCC1=CNC=C1 MCULE-8377955542 [0,0,0,0,0,0|3,0,0]=3 204 B7R1.1 NCC1=CNC=N1 MCULE-8577687631 [0,0,0,0,0,0|3,0,0]=3 205 B7R1.1 NCC1=CNN=C1 MCULE-3762894549 [0,0,0,0,0,0|4,0,0]=4 206 B7R1.1 NCC1=CNN=C1 MCULE-5740077275 [0,0,0,0,0,0|4,0,0]=4 207 B7R1.1 NCC1=CNN=C1 MCULE-8353465704 [0,0,0,0,0,0|4,0,0]=4 208 B7R1.1 NCC1=CNN=C1 MCULE-9759765236 [0,0,0,0,0,0|4,0,0]=4 209 B7R1.1 NCC1=CNN=N1 MCULE-1888725046 [0,0,0,0,0,0|4,0,0]=4 210 B7R1.1 NCC1=COC=C1 MCULE-2572059213 [0,0,0,0,0,0|3,0,0]=3 211 B7R1.1 NCC1=COC=C1 MCULE-3826062772 [0,0,0,0,0,0|3,0,0]=3 212 B7R1.1 NCC1=COC=N1 MCULE-1965806400 [0,0,0,0,0,0|3,0,0]=3 213 B7R1.1 NCC1=COC=N1 MCULE-4630236945 [0,0,0,0,0,0|3,0,0]=3 214 B7R1.1 NCC1=CON=C1 MCULE-1890920006 [0,0,0,0,0,0|4,0,0]=4 215 B7R1.1 NCC1=CON=C1 MCULE-6269871043 [0,0,0,0,0,0|4,0,0]=4 216 B7R1.1 NCC1=CON=C1 MCULE-7811104549 [0,0,0,0,0,0|4,0,0]=4 217 B7R1.1 NCC1=CON=C1 MCULE-9825792061 [0,0,0,0,0,0|4,0,0]=4 218 B7R1.1 NCC1=CSC=C1 MCULE-1358443205 [0,0,0,0,0,0|3,0,0]=3 219 B7R1.1 NCC1=CSC=C1 MCULE-7400311305 [0,0,0,0,0,0|3,0,0]=3 220 B7R1.1 NCC1=CSC=N1 MCULE-1908621031 [0,0,0,0,0,0|3,0,0]=3 221 B7R1.1 NCC1=CSC=N1 MCULE-2561780523 [0,0,0,0,0,0|3,0,0]=3 222 B7R1.1 NCC1=CSC=N1 MCULE-7257821091 [0,0,0,0,0,0|3,0,0]=3 223 B7R1.1 NCC1=CSC=N1 MCULE-7553807162 [0,0,0,0,0,0|3,0,0]=3 224 B7R1.1 NCC1=CSN=C1 MCULE-3907746598 [0,0,0,0,0,0|4,0,0]=4 225 B7R1.1 NCC1=CSN=C1 MCULE-4121739401 [0,0,0,0,0,0|4,0,0]=4 226 B7R1.1 NCC1=CSN=C1 MCULE-5796430350 [0,0,0,0,0,0|4,0,0]=4 227 B7R1.1 NCC1=CSN=N1 MCULE-7891736725 [0,0,0,0,0,0|4,0,0]=4 228 B7R1.1 NCC1=CSN=N1 MCULE-9129813251 [0,0,0,0,0,0|4,0,0]=4 229 B7R1.1 NCC1=NC=CN1 MCULE-3018295283 [0,0,0,0,0,0|3,0,0]=3 230 B7R1.1 NCC1=NC=CN1 MCULE-3173272320 [0,0,0,0,0,0|3,0,0]=3 231 B7R1.1 NCC1=NC=CN1 MCULE-7054323206 [0,0,0,0,0,0|3,0,0]=3 232 B7R1.1 NCC1=NC=CO1 MCULE-4637859153 [0,0,0,0,0,0|2,0,0]=2 233 B7R1.1 NCC1=NC=CO1 MCULE-7271712199 [0,0,0,0,0,0|2,0,0]=2 234 B7R1.1 NCC1=NC=CS1 MCULE-2850974677 [0,0,0,0,0,0|2,1,0]=3 235 B7R1.1 NCC1=NC=CS1 MCULE-5132159035 [0,0,0,0,0,0|2,1,0]=3 236 B7R1.1 NCC1=NC=CS1 MCULE-6824522664 [0,0,0,0,0,0|2,1,0]=3 237 B7R1.1 NCC1=NN=CN1 MCULE-3498579605 [0,0,0,0,0,0|4,0,0]=4 238 B7R1.1 NCC1=NN=CN1 MCULE-4221436854 [0,0,0,0,0,0|4,0,0]=4 239 B7R1.1 NCC1=NN=CN1 MCULE-5240729547 [0,0,0,0,0,0|4,0,0]=4 240 B7R1.1 NCC1=NN=CO1 MCULE-3836713435 [0,0,0,0,0,0|3,0,0]=3 241 B7R1.1 NCC1=NN=CO1 MCULE-9685786187 [0,0,0,0,0,0|3,0,0]=3 242 B7R1.1 NCC1=NN=CS1 MCULE-1804522206 [0,0,0,0,0,0|3,1,0]=4 243 B7R1.1 NCC1=NN=CS1 MCULE-3787914996 [0,0,0,0,0,0|3,1,0]=4 244 B7R1.1 NCC1=NN=CS1 MCULE-8525484301 [0,0,0,0,0,0|3,1,0]=4 245 B7R1.1 NCC1=NNN=C1 MCULE-6144313351 [0,0,0,0,0,0|4,0,0]=4 246 B7R1.1 NCC1=NOC=C1 MCULE-4678014837 [0,0,0,0,0,0|3,0,0]=3 247 B7R1.1 NCC1=NOC=C1 MCULE-6900654675 [0,0,0,0,0,0|3,0,0]=3 248 B7R1.1 NCC1=NOC=N1 MCULE-5404840212 [0,0,0,0,0,0|4,0,0]=4 249 B7R1.1 NCC1=NOC=N1 MCULE-8401790363 [0,0,0,0,0,0|4,0,0]=4 250 B7R1.1 NCC1=NON=C1 MCULE-6058584869 [0,0,0,0,0,0|4,0,0]=4 251 B7R1.1 NCC1=NON=C1 MCULE-9910873355 [0,0,0,0,0,0|4,0,0]=4 252 B7R1.1 NCC1=NSC=C1 MCULE-1665275335 [0,0,0,0,0,0|3,0,0]=3 253 B7R1.1 NCC1=NSC=C1 MCULE-4779946656 [0,0,0,0,0,0|3,0,0]=3 254 B7R1.1 NCC1=NSN=C1 MCULE-3400639056 [0,0,0,0,0,0|4,0,0]=4 255 B7R1.1 NCC1=NSN=C1 MCULE-3945427014 [0,0,0,0,0,0|4,0,0]=4 256 B7R1.1 NCC1C=CCC1 MCULE-5829076156 [0,0,0,0,0,0|2,0,2]=4 257 B7R1.1 NCC1C=CCC1 MCULE-8381701177 [0,0,0,0,0,0|2,0,2]=4 258 B7R1.1 NCC1C=CN=N1 MCULE-4298557871 [0,0,0,0,0,0|3,0,1]=4 259 B7R1.1 NCC1CC=CC1 MCULE-4315281916 [0,0,0,0,0,0|2,0,2]=4 260 B7R1.1 NNC1=CC=CS1 MCULE-3379720556 [0,0,0,0,0,0|2,1,0]=3 261 B7R1.1 NNC1=CC=CS1 MCULE-7128663353 [0,0,0,0,0,0|2,1,0]=3 262 B7R1.1 NNC1=NC=CN1 MCULE-1524554099 [0,0,0,0,0,0|4,0,0]=4 263 B7R1.1 NNC1=NC=CN1 MCULE-4336482555 [0,0,0,0,0,0|4,0,0]=4 264 B7R1.1 NNC1=NC=CS1 MCULE-4039106179 [0,0,0,0,0,0|3,1,0]=4 265 B7R1.1 NNC1=NC=CS1 MCULE-7813036897 [0,0,0,0,0,0|3,1,0]=4 266 B7R1.1 NOC1=CC=CO1 MCULE-1613438607 [0,0,0,0,0,0|2,0,0]=2 267 B7R1.1 NOC1=CC=CO1 MCULE-4830480468 [0,0,0,0,0,0|2,0,0]=2 268 B7R1.1 NOC1=CC=CS1 MCULE-4858455315 [0,0,0,0,0,0|2,1,0]=3 269 B7R1.1 NOC1=CC=CS1 MCULE-9161289584 [0,0,0,0,0,0|2,1,0]=3 270 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [0,0,0,0,0,0|1,0,2]=3 271 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [0,0,0,0,0,0|0,0,2]=2 272 B7R1.1 O=CC1=CC=CS1 MCULE-8254409353 [0,0,0,0,0,0|0,1,2]=3 273 B7R1.1 O=CC1=CC=C[Se]1 MCULE-2409744709 [0,0,0,0,0,0|0,1,2]=3 274 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [0,0,0,0,0,0|1,0,2]=3 275 B7R1.1 O=CC1=CC=NS1 MCULE-1236687243 [0,0,0,0,0,0|1,1,2]=4 276 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,0,0,0,0,0|0,0,4]=4 277 B7R1.1 O=CC1=CN=CN1 MCULE-5099904928 [0,0,0,0,0,0|2,0,2]=4 278 B7R1.1 O=CC1=CN=CO1 MCULE-7235306258 [0,0,0,0,0,0|1,0,2]=3 279 B7R1.1 O=CC1=CN=CS1 MCULE-4047651092 [0,0,0,0,0,0|1,1,2]=4 280 B7R1.1 O=CC1=CNC=C1 MCULE-2454944558 [0,0,0,0,0,0|2,0,2]=4 281 B7R1.1 O=CC1=COC=C1 MCULE-4433731812 [0,0,0,0,0,0|2,0,2]=4 282 B7R1.1 O=CC1=COC=N1 MCULE-9948589511 [0,0,0,0,0,0|2,0,2]=4 283 B7R1.1 O=CC1=CSC=C1 MCULE-4096224591 [0,0,0,0,0,0|2,0,2]=4 284 B7R1.1 O=CC1=CSC=N1 MCULE-9225156161 [0,0,0,0,0,0|2,0,2]=4 285 B7R1.1 O=CC1=NC=CN1 MCULE-7353417190 [0,0,0,0,0,0|2,0,2]=4 286 B7R1.1 O=CC1=NC=CO1 MCULE-6908871529 [0,0,0,0,0,0|1,0,2]=3 287 B7R1.1 O=CC1=NC=CS1 MCULE-4910648704 [0,0,0,0,0,0|1,1,2]=4 288 B7R1.1 O=CC1=NC=CS1 MCULE-9818043026 [0,0,0,0,0,0|1,1,2]=4 289 B7R1.1 O=CC1=NN=CO1 MCULE-2019186249 [0,0,0,0,0,0|2,0,2]=4 290 B7R1.1 O=CC1=NNC=C1 MCULE-5970837649 [0,0,0,0,0,0|2,0,2]=4 291 B7R1.1 O=CC1=NOC=C1 MCULE-6315054980 [0,0,0,0,0,0|2,0,2]=4 292 B7R1.1 O=CC1=NSC=C1 MCULE-2006644927 [0,0,0,0,0,0|2,0,2]=4 293 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [0,0,0,0,0,0|2,0,1]=3 294 B7R1.1 OCC1=CC=CN1 MCULE-5325446270 [0,0,0,0,0,0|1,0,0]=1 295 B7R1.1 OCC1=CC=CO1 MCULE-4977977402 [0,0,0,0,0,0|0,0,0]=0 296 B7R1.1 OCC1=CC=CS1 MCULE-8365761000 [0,0,0,0,0,0|0,1,0]=1 297 B7R1.1 OCC1=CC=NN1 MCULE-9206734976 [0,0,0,0,0,0|2,0,0]=2 298 B7R1.1 OCC1=CC=NO1 MCULE-9887136642 [0,0,0,0,0,0|1,0,0]=1 299 B7R1.1 OCC1=CC=NS1 MCULE-5309327051 [0,0,0,0,0,0|1,1,0]=2 300 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,0,0,0,0,0|1,0,2]=3 301 B7R1.1 OCC1=CN=CO1 MCULE-5114487613 [0,0,0,0,0,0|1,0,0]=1 302 B7R1.1 OCC1=CN=CS1 MCULE-7378624461 [0,0,0,0,0,0|1,1,0]=2 303 B7R1.1 OCC1=CN=NN1 MCULE-2812101931 [0,0,0,0,0,0|3,0,0]=3 304 B7R1.1 OCC1=CN=NS1 MCULE-2440476872 [0,0,0,0,0,0|2,1,0]=3 305 B7R1.1 OCC1=CNC=C1 MCULE-3286092527 [0,0,0,0,0,0|2,0,0]=2 306 B7R1.1 OCC1=CNC=N1 MCULE-7372960664 [0,0,0,0,0,0|2,0,0]=2 307 B7R1.1 OCC1=CNC=N1 MCULE-7985661576 [0,0,0,0,0,0|2,0,0]=2 308 B7R1.1 OCC1=CNN=C1 MCULE-3322868006 [0,0,0,0,0,0|3,0,0]=3 309 B7R1.1 OCC1=CNN=N1 MCULE-2742980446 [0,0,0,0,0,0|3,0,0]=3 310 B7R1.1 OCC1=COC=C1 MCULE-1188853308 [0,0,0,0,0,0|2,0,0]=2 311 B7R1.1 OCC1=COC=N1 MCULE-6953437959 [0,0,0,0,0,0|2,0,0]=2 312 B7R1.1 OCC1=CON=C1 MCULE-5122190603 [0,0,0,0,0,0|3,0,0]=3 313 B7R1.1 OCC1=CSC=C1 MCULE-5715575511 [0,0,0,0,0,0|2,0,0]=2 314 B7R1.1 OCC1=CSC=N1 MCULE-4231621770 [0,0,0,0,0,0|2,0,0]=2 315 B7R1.1 OCC1=CSN=C1 MCULE-2901892714 [0,0,0,0,0,0|3,0,0]=3 316 B7R1.1 OCC1=CSN=N1 MCULE-4791447458 [0,0,0,0,0,0|3,0,0]=3 317 B7R1.1 OCC1=NC=CN1 MCULE-2118723726 [0,0,0,0,0,0|2,0,0]=2 318 B7R1.1 OCC1=NC=CN1 MCULE-8280197279 [0,0,0,0,0,0|2,0,0]=2 319 B7R1.1 OCC1=NC=CO1 MCULE-9104936820 [0,0,0,0,0,0|1,0,0]=1 320 B7R1.1 OCC1=NC=CS1 MCULE-1365703098 [0,0,0,0,0,0|1,1,0]=2 321 B7R1.1 OCC1=NC=CS1 MCULE-6771352555 [0,0,0,0,0,0|1,1,0]=2 322 B7R1.1 OCC1=NC=NN1 MCULE-2198114162 [0,0,0,0,0,0|3,0,0]=3 323 B7R1.1 OCC1=NC=NO1 MCULE-9715456804 [0,0,0,0,0,0|2,0,0]=2 324 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [0,0,0,0,0,0|1,0,2]=3 325 B7R1.1 OCC1=NN=CO1 MCULE-3917899910 [0,0,0,0,0,0|2,0,0]=2 326 B7R1.1 OCC1=NN=CS1 MCULE-8521153353 [0,0,0,0,0,0|2,1,0]=3 327 B7R1.1 OCC1=NN=NN1 MCULE-1358356731 [0,0,0,0,0,0|4,0,0]=4 328 B7R1.1 OCC1=NNC=C1 MCULE-7625791296 [0,0,0,0,0,0|2,0,0]=2 329 B7R1.1 OCC1=NNC=N1 MCULE-2245796339 [0,0,0,0,0,0|3,0,0]=3 330 B7R1.1 OCC1=NOC=C1 MCULE-3216265153 [0,0,0,0,0,0|2,0,0]=2 331 B7R1.1 OCC1=NOC=N1 MCULE-8130425281 [0,0,0,0,0,0|3,0,0]=3 332 B7R1.1 OCC1=NON=C1 MCULE-7693226761 [0,0,0,0,0,0|3,0,0]=3 333 B7R1.1 OCC1=NSC=C1 MCULE-8963767199 [0,0,0,0,0,0|2,0,0]=2 334 B7R1.1 OCC1=NSN=C1 MCULE-3073517860 [0,0,0,0,0,0|3,0,0]=3 335 B7R1.1 OCC1C=CCC1 MCULE-1237002603 [0,0,0,0,0,0|1,0,2]=3 336 B7R1.1 OCC1C=CCN1 MCULE-1461746159 [0,0,0,0,0,0|1,0,2]=3 337 B7R1.1 OCC1C=CCN1 MCULE-5814337815 [0,0,0,0,0,0|1,0,2]=3 338 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [0,0,0,0,0,0|1,0,2]=3 339 B7R1.1 OCC1CCCO1 MCULE-5877114547 [0,0,0,0,0,0|0,0,4]=4 340 B7R1.1 OCC1CCCO1 MCULE-5884880244 [0,0,0,0,0,0|0,0,4]=4 341 B7R1.1 OCC1COCO1 MCULE-3470022742 [0,0,0,0,0,0|1,0,3]=4 342 B7R1.1 OCC1OCCO1 MCULE-8334027179 [0,0,0,0,0,0|1,0,3]=4 343 B7R1.1 OCN1C=CC=N1 MCULE-9665267248 [0,0,0,0,0,0|2,0,0]=2 344 B7R1.1 OCN1C=CN=C1 MCULE-2697787926 [0,0,0,0,0,0|3,0,0]=3 345 B7R1.1 OCN1C=NC=N1 MCULE-4098360190 [0,0,0,0,0,0|3,0,0]=3 346 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [0,0,0,0,0,0|0,0,4]=4 347 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [0,0,0,0,0,0|0,0,4]=4 348 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [0,0,0,0,0,0|0,0,4]=4 349 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [0,0,0,0,0,0|0,0,4]=4 350 B7R1.1 SCC1=CC=CO1 MCULE-3419389361 [0,0,0,0,0,0|0,1,0]=1 351 B7R1.1 SCC1=CC=CS1 MCULE-8555593113 [0,0,0,0,0,0|0,2,0]=2 352 B7R1.1 SCC1=CSC=N1 MCULE-8138027678 [0,0,0,0,0,0|2,1,0]=3 353 B7R1.1 SCC1=NC=CS1 MCULE-6508521215 [0,0,0,0,0,0|1,2,0]=3 354 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [1,0,0,0,0,0|2,0,0]=3 355 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [1,0,0,0,0,0|1,0,0]=2 356 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [1,0,0,0,0,0|1,1,0]=3 357 B6R1.2 BrC1=CC=C[Se]1 MCULE-9011330064 [1,0,0,0,0,0|1,1,0]=3 358 B6R1.2 BrC1=CC=NN1 MCULE-9341716246 [1,0,0,0,0,0|3,0,0]=4 359 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [1,0,0,0,0,0|2,0,0]=3 360 B6R1.2 BrC1=CC=NS1 MCULE-2346915540 [1,0,0,0,0,0|2,1,0]=4 361 B6R1.2 BrC1=CN=CO1 MCULE-5651145478 [1,0,0,0,0,0|2,0,0]=3 362 B6R1.2 BrC1=CN=CO1 MCULE-8656599411 [1,0,0,0,0,0|2,0,0]=3 363 B6R1.2 BrC1=CN=CS1 MCULE-2394006568 [1,0,0,0,0,0|2,1,0]=4 364 B6R1.2 BrC1=CNC=C1 MCULE-2704154564 [1,0,0,0,0,0|3,0,0]=4 365 B6R1.2 BrC1=CNC=N1 MCULE-7584078883 [1,0,0,0,0,0|3,0,0]=4 366 B6R1.2 BrC1=COC=C1 MCULE-7282301463 [1,0,0,0,0,0|3,0,0]=4 367 B6R1.2 BrC1=COC=N1 MCULE-3389578396 [1,0,0,0,0,0|3,0,0]=4 368 B6R1.2 BrC1=COC=N1 MCULE-5006735396 [1,0,0,0,0,0|3,0,0]=4 369 B6R1.2 BrC1=CSC=C1 MCULE-6680927224 [1,0,0,0,0,0|3,0,0]=4 370 B6R1.2 BrC1=CSC=N1 MCULE-6952917931 [1,0,0,0,0,0|3,0,0]=4 371 B6R1.2 BrC1=NC=CN1 MCULE-6985395799 [1,0,0,0,0,0|3,0,0]=4 372 B6R1.2 BrC1=NC=CN1 MCULE-8632789036 [1,0,0,0,0,0|3,0,0]=4 373 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [1,0,0,0,0,0|2,0,0]=3 374 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [1,0,0,0,0,0|2,0,0]=3 375 B6R1.2 BrC1=NC=CS1 MCULE-9214561330 [1,0,0,0,0,0|2,1,0]=4 376 B6R1.2 BrC1=NN=CO1 MCULE-9908278798 [1,0,0,0,0,0|3,0,0]=4 377 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [1,0,0,0,0,0|3,0,0]=4 378 B6R1.2 BrC1=NSC=C1 MCULE-5948625316 [1,0,0,0,0,0|3,0,0]=4 379 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [1,0,0,0,0,0|1,0,0]=2 380 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [1,0,0,0,0,0|1,0,0]=2 381 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [1,0,0,0,0,0|0,0,0]=1 382 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [1,0,0,0,0,0|0,1,0]=2 383 B6R1.2 CC1=CC=NN1 MCULE-1457877312 [1,0,0,0,0,0|2,0,0]=3 384 B6R1.2 CC1=CC=NN1 MCULE-3441401586 [1,0,0,0,0,0|2,0,0]=3 385 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [1,0,0,0,0,0|1,0,0]=2 386 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [1,0,0,0,0,0|1,1,0]=3 387 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,0,0,0|1,0,2]=4 388 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,0,0,0|0,0,2]=3 389 B6R1.2 CC1=CCNC1 MCULE-5892113847 [1,0,0,0,0,0|2,0,1]=4 390 B6R1.2 CC1=CCNC1 MCULE-9225220351 [1,0,0,0,0,0|2,0,1]=4 391 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [1,0,0,0,0,0|1,0,0]=2 392 B6R1.2 CC1=CN=CS1 MCULE-8510377651 [1,0,0,0,0,0|1,1,0]=3 393 B6R1.2 CC1=CN=NS1 MCULE-3290022680 [1,0,0,0,0,0|2,1,0]=4 394 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [1,0,0,0,0,0|2,0,0]=3 395 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [1,0,0,0,0,0|2,0,0]=3 396 B6R1.2 CC1=CNN=C1 MCULE-2732751720 [1,0,0,0,0,0|3,0,0]=4 397 B6R1.2 CC1=CNN=C1 MCULE-3538959589 [1,0,0,0,0,0|3,0,0]=4 398 B6R1.2 CC1=CNN=N1 MCULE-2819973344 [1,0,0,0,0,0|3,0,0]=4 399 B6R1.2 CC1=COC=C1 MCULE-1597223627 [1,0,0,0,0,0|2,0,0]=3 400 B6R1.2 CC1=COC=N1 MCULE-3497089982 [1,0,0,0,0,0|2,0,0]=3 401 B6R1.2 CC1=CON=C1 MCULE-4312100714 [1,0,0,0,0,0|3,0,0]=4 402 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [1,0,0,0,0,0|2,0,0]=3 403 B6R1.2 CC1=CSC=N1 MCULE-3711308900 [1,0,0,0,0,0|2,0,0]=3 404 B6R1.2 CC1=CSN=C1 MCULE-2603580928 [1,0,0,0,0,0|3,0,0]=4 405 B6R1.2 CC1=CSN=N1 MCULE-9634894252 [1,0,0,0,0,0|3,0,0]=4 406 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [1,0,0,0,0,0|2,0,0]=3 407 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [1,0,0,0,0,0|1,0,0]=2 408 B6R1.2 CC1=NC=CS1 MCULE-6863408892 [1,0,0,0,0,0|1,1,0]=3 409 B6R1.2 CC1=NCCO1 MCULE-8564633040 [1,0,0,0,0,0|1,0,2]=4 410 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [1,0,0,0,0,0|3,0,0]=4 411 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [1,0,0,0,0,0|2,0,0]=3 412 B6R1.2 CC1=NN=CS1 MCULE-5068390093 [1,0,0,0,0,0|2,1,0]=4 413 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [1,0,0,0,0,0|2,0,0]=3 414 B6R1.2 CC1=NOC=N1 MCULE-5841548711 [1,0,0,0,0,0|3,0,0]=4 415 B6R1.2 CC1=NON=C1 MCULE-7563934145 [1,0,0,0,0,0|3,0,0]=4 416 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [1,0,0,0,0,0|2,0,0]=3 417 B6R1.2 CC1=NSN=C1 MCULE-8318780980 [1,0,0,0,0,0|3,0,0]=4 418 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,0,0,0|1,0,2]=4 419 B6R1.2 CN1C=CC=C1 MCULE-4929965979 [1,0,0,0,0,0|2,0,0]=3 420 B6R1.2 CN1C=CC=N1 MCULE-9409141633 [1,0,0,0,0,0|2,0,0]=3 421 B6R1.2 CN1C=CN=C1 MCULE-1468573178 [1,0,0,0,0,0|3,0,0]=4 422 B6R1.2 CN1C=CN=C1 MCULE-1857627459 [1,0,0,0,0,0|3,0,0]=4 423 B6R1.2 CN1C=CN=C1 MCULE-3087755909 [1,0,0,0,0,0|3,0,0]=4 424 B6R1.2 CN1C=CN=C1 MCULE-7326970566 [1,0,0,0,0,0|3,0,0]=4 425 B6R1.2 CN1C=CN=C1 MCULE-7347723440 [1,0,0,0,0,0|3,0,0]=4 426 B6R1.2 CN1C=CN=N1 MCULE-5243651327 [1,0,0,0,0,0|3,0,0]=4 427 B6R1.2 CN1C=C[NH+]=C1 MCULE-1511454799 [1,0,0,0,0,0|3,0,0]=4 428 B6R1.2 CN1C=NC=N1 MCULE-7058833727 [1,0,0,0,0,0|3,0,0]=4 429 B6R1.2 CN1CC=CC1 MCULE-2586884916 [1,0,0,0,0,0|2,0,1]=4 430 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [1,0,0,0,0,0|1,0,0]=2 431 B6R1.2 ClC1=CC=CS1 MCULE-2640438050 [1,0,0,0,0,0|1,1,0]=3 432 B6R1.2 ClC1=CC=NN1 MCULE-3560728451 [1,0,0,0,0,0|3,0,0]=4 433 B6R1.2 ClC1=CN=CS1 MCULE-6088272612 [1,0,0,0,0,0|2,1,0]=4 434 B6R1.2 ClC1=CNC=N1 MCULE-3072422179 [1,0,0,0,0,0|3,0,0]=4 435 B6R1.2 ClC1=CNC=N1 MCULE-8453567278 [1,0,0,0,0,0|3,0,0]=4 436 B6R1.2 ClC1=CSC=C1 MCULE-1998275400 [1,0,0,0,0,0|3,0,0]=4 437 B6R1.2 ClC1=CSC=N1 MCULE-9647338017 [1,0,0,0,0,0|3,0,0]=4 438 B6R1.2 ClC1=NC=CN1 MCULE-6072122645 [1,0,0,0,0,0|3,0,0]=4 439 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [1,0,0,0,0,0|2,0,0]=3 440 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [1,0,0,0,0,0|2,0,0]=3 441 B6R1.2 ClC1=NC=CS1 MCULE-6673458969 [1,0,0,0,0,0|2,1,0]=4 442 B6R1.2 ClC1=NNC=C1 MCULE-6678816051 [1,0,0,0,0,0|3,0,0]=4 443 B6R1.2 ClC1=NSC=C1 MCULE-5743382341 [1,0,0,0,0,0|3,0,0]=4 444 B6R1.2 FC1=CC=CS1 MCULE-5362233873 [1,0,0,0,0,0|1,1,0]=3 445 B6R1.2 FC1=CN=CN1 MCULE-9951835141 [1,0,0,0,0,0|3,0,0]=4 446 B6R1.2 FC1=CSC=C1 MCULE-3342972910 [1,0,0,0,0,0|3,0,0]=4 447 B6R1.2 FC1=NC=CN1 MCULE-1860701993 [1,0,0,0,0,0|3,0,0]=4 448 B6R1.2 FC1=NC=CN1 MCULE-5026249596 [1,0,0,0,0,0|3,0,0]=4 449 B6R1.2 FC1=NC=CS1 MCULE-3710058771 [1,0,0,0,0,0|2,1,0]=4 450 B6R1.2 FC1=NNC=C1 MCULE-3532126949 [1,0,0,0,0,0|3,0,0]=4 451 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [1,0,0,0,0,0|1,0,0]=2 452 B6R1.2 IC1=CC=CS1 MCULE-6025659368 [1,0,0,0,0,0|1,1,0]=3 453 B6R1.2 IC1=CC=NN1 MCULE-9744954898 [1,0,0,0,0,0|3,0,0]=4 454 B6R1.2 IC1=CC=NS1 MCULE-7758361866 [1,0,0,0,0,0|2,1,0]=4 455 B6R1.2 IC1=CN=CS1 MCULE-1577269526 [1,0,0,0,0,0|2,1,0]=4 456 B6R1.2 IC1=CNC=C1 MCULE-4230351559 [1,0,0,0,0,0|3,0,0]=4 457 B6R1.2 IC1=CNC=N1 MCULE-9964164089 [1,0,0,0,0,0|3,0,0]=4 458 B6R1.2 IC1=COC=N1 MCULE-1363022741 [1,0,0,0,0,0|3,0,0]=4 459 B6R1.2 IC1=COC=N1 MCULE-8108166687 [1,0,0,0,0,0|3,0,0]=4 460 B6R1.2 IC1=CSC=C1 MCULE-1100365117 [1,0,0,0,0,0|3,0,0]=4 461 B6R1.2 IC1=NC=CN1 MCULE-1690537323 [1,0,0,0,0,0|3,0,0]=4 462 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [1,0,0,0,0,0|2,0,0]=3 463 B6R1.2 IC1=NC=CS1 MCULE-9500451238 [1,0,0,0,0,0|2,1,0]=4 464 B6R1.2 IC1=NNC=C1 MCULE-9771094813 [1,0,0,0,0,0|3,0,0]=4 465 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [1,0,0,0,0,0|2,0,0]=3 466 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [1,0,0,0,0,0|2,0,0]=3 467 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [1,0,0,0,0,0|1,0,0]=2 468 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [1,0,0,0,0,0|1,1,0]=3 469 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [1,0,0,0,0,0|1,1,0]=3 470 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [1,0,0,0,0,0|2,0,0]=3 471 B6R1.2 NC1=CC=NS1 MCULE-2159626770 [1,0,0,0,0,0|2,1,0]=4 472 B6R1.2 NC1=CC=NS1 MCULE-8733584582 [1,0,0,0,0,0|2,1,0]=4 473 B6R1.2 NC1=CN=CN1 MCULE-3029255616 [1,0,0,0,0,0|3,0,0]=4 474 B6R1.2 NC1=CN=CN1 MCULE-8873453977 [1,0,0,0,0,0|3,0,0]=4 475 B6R1.2 NC1=CN=CN1 MCULE-9206811415 [1,0,0,0,0,0|3,0,0]=4 476 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [1,0,0,0,0,0|2,0,0]=3 477 B6R1.2 NC1=CN=CS1 MCULE-1239962681 [1,0,0,0,0,0|2,1,0]=4 478 B6R1.2 NC1=CN=CS1 MCULE-3685342495 [1,0,0,0,0,0|2,1,0]=4 479 B6R1.2 NC1=CN=CS1 MCULE-7122700564 [1,0,0,0,0,0|2,1,0]=4 480 B6R1.2 NC1=CNC=C1 MCULE-1411730985 [1,0,0,0,0,0|3,0,0]=4 481 B6R1.2 NC1=CNC=C1 MCULE-7701316156 [1,0,0,0,0,0|3,0,0]=4 482 B6R1.2 NC1=COC=C1 MCULE-1858324031 [1,0,0,0,0,0|3,0,0]=4 483 B6R1.2 NC1=COC=C1 MCULE-3985426542 [1,0,0,0,0,0|3,0,0]=4 484 B6R1.2 NC1=COC=N1 MCULE-2511021171 [1,0,0,0,0,0|3,0,0]=4 485 B6R1.2 NC1=COC=N1 MCULE-3099880728 [1,0,0,0,0,0|3,0,0]=4 486 B6R1.2 NC1=CSC=C1 MCULE-1673174137 [1,0,0,0,0,0|3,0,0]=4 487 B6R1.2 NC1=CSC=C1 MCULE-5461897385 [1,0,0,0,0,0|3,0,0]=4 488 B6R1.2 NC1=CSC=C1 MCULE-6200615331 [1,0,0,0,0,0|3,0,0]=4 489 B6R1.2 NC1=CSC=C1 MCULE-9439581665 [1,0,0,0,0,0|3,0,0]=4 490 B6R1.2 NC1=CSC=N1 MCULE-3316985941 [1,0,0,0,0,0|3,0,0]=4 491 B6R1.2 NC1=CSC=N1 MCULE-4767298680 [1,0,0,0,0,0|3,0,0]=4 492 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [1,0,0,0,0,0|3,0,0]=4 493 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [1,0,0,0,0,0|3,0,0]=4 494 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [1,0,0,0,0,0|3,0,0]=4 495 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [1,0,0,0,0,0|3,0,0]=4 496 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [1,0,0,0,0,0|2,0,0]=3 497 B6R1.2 NC1=NC=CS1 MCULE-1506905792 [1,0,0,0,0,0|2,1,0]=4 498 B6R1.2 NC1=NC=CS1 MCULE-8550608343 [1,0,0,0,0,0|2,1,0]=4 499 B6R1.2 NC1=NN=CO1 MCULE-9653146681 [1,0,0,0,0,0|3,0,0]=4 500 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [1,0,0,0,0,0|3,0,0]=4 501 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [1,0,0,0,0,0|3,0,0]=4 502 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [1,0,0,0,0,0|3,0,0]=4 503 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [1,0,0,0,0,0|3,0,0]=4 504 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [1,0,0,0,0,0|3,0,0]=4 505 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [1,0,0,0,0,0|3,0,0]=4 506 B6R1.2 NN1C=CC=C1 MCULE-9328309132 [1,0,0,0,0,0|3,0,0]=4 507 B6R1.2 NN1C=CC=N1 MCULE-1897324593 [1,0,0,0,0,0|3,0,0]=4 508 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,0,0,0|1,0,2]=4 509 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,0,0|1,0,2]=4 510 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,0,0,0|0,0,2]=3 511 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,0,0,0|0,1,2]=4 512 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,0,0,0|2,0,1]=4 513 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,0,0,0|2,0,1]=4 514 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,0,0,0|2,0,1]=4 515 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,0,0,0|1,0,2]=4 516 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,0,0,0|2,0,1]=4 517 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,0,0|1,0,1]=3 518 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,0,0,0|1,1,1]=4 519 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,0,0,0|1,0,1]=3 520 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [1,0,0,0,0,0|0,0,0]=1 521 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [1,0,0,0,0,0|0,1,0]=2 522 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [1,0,0,0,0,0|2,0,0]=3 523 B6R1.2 OC1=CN=CS1 MCULE-4004908551 [1,0,0,0,0,0|1,1,0]=3 524 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [1,0,0,0,0,0|2,0,0]=3 525 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [1,0,0,0,0,0|2,0,0]=3 526 B6R1.2 OC1=CNN=C1 MCULE-5672706063 [1,0,0,0,0,0|3,0,0]=4 527 B6R1.2 OC1=CNN=C1 MCULE-5774317326 [1,0,0,0,0,0|3,0,0]=4 528 B6R1.2 OC1=CON=C1 MCULE-9622003135 [1,0,0,0,0,0|3,0,0]=4 529 B6R1.2 OC1=CSC=C1 MCULE-2226095386 [1,0,0,0,0,0|2,0,0]=3 530 B6R1.2 OC1=NN=CO1 MCULE-5444445027 [1,0,0,0,0,0|2,0,0]=3 531 B6R1.2 OC1=NN=CS1 MCULE-9934931556 [1,0,0,0,0,0|2,1,0]=4 532 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [1,0,0,0,0,0|2,0,0]=3 533 B6R1.2 OC1=NSN=C1 MCULE-1499049623 [1,0,0,0,0,0|3,0,0]=4 534 B6R1.2 OC1C=CCC1 MCULE-3857764876 [1,0,0,0,0,0|1,0,2]=4 535 B6R1.2 OC1C=CCO1 MCULE-4636930669 [1,0,0,0,0,0|0,0,2]=3 536 B6R1.2 OC1CC=CC1 MCULE-6176562196 [1,0,0,0,0,0|1,0,2]=4 537 B6R1.2 ON1C=CC=N1 MCULE-8533909959 [1,0,0,0,0,0|2,0,0]=3 538 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [1,0,0,0,0,0|1,1,0]=3 539 B6R1.2 S=C1SC=CS1 MCULE-7239273248 [1,0,0,0,0,0|1,2,0]=4 540 B6R1.2 SC1=CC=CS1 MCULE-8882266878 [1,0,0,0,0,0|0,2,0]=3 541 B6R1.2 SC1=CSC=C1 MCULE-8930005512 [1,0,0,0,0,0|2,1,0]=4 542 B6R1.2 SC1=NC=CN1 MCULE-1550904171 [1,0,0,0,0,0|2,1,0]=4 543 B6R1.2 SC1=NC=CS1 MCULE-4142949987 [1,0,0,0,0,0|1,2,0]=4 544 B6R1.2 SC1=NN=CO1 MCULE-5180923337 [1,0,0,0,0,0|2,1,0]=4 545 B6R1.2 [Li]C1C=CC=C1 MCULE-1100709751 [1,0,0,0,0,0|2,0,1]=4 546 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [1,0,0,0,0,0|2,0,0]=3 547 B8R1.1 BrC1=COC(=N1)CI MCULE-8647091357 [0,1,0,0,0,0|2,0,0]=3 548 B8R1.1 BrCC1=CC(=CS1)Br MCULE-2255967984 [0,1,0,0,0,0|1,1,0]=3 549 B8R1.1 BrCC1=CC(=NO1)Br MCULE-2771394868 [0,1,0,0,0,0|2,0,0]=3 550 B8R1.1 BrCC1=CC=C(O1)Br MCULE-1166921731 [0,1,0,0,0,0|1,0,0]=2 551 B8R1.1 BrCC1=CC=C(S1)Br MCULE-5697719994 [0,1,0,0,0,0|1,1,0]=3 552 B8R1.1 BrCC1=CN=C(S1)Br MCULE-4378480898 [0,1,0,0,0,0|2,1,0]=4 553 B8R1.1 BrCC1=CSC(=C1)Br MCULE-6517508366 [0,1,0,0,0,0|3,0,0]=4 554 B8R1.1 BrCC1=CSC(=N1)Br MCULE-7583445067 [0,1,0,0,0,0|3,0,0]=4 555 B8R1.1 BrCC1=NC(=CS1)Br MCULE-4687678382 [0,1,0,0,0,0|2,1,0]=4 556 B8R1.1 BrCC1=NC(=NO1)Br MCULE-5442010387 [0,1,0,0,0,0|3,0,0]=4 557 B8R1.1 BrCC1=NC=C(O1)Br MCULE-8701371029 [0,1,0,0,0,0|2,0,0]=3 558 B8R1.1 BrCC1=NC=C(S1)Br MCULE-6207210014 [0,1,0,0,0,0|2,1,0]=4 559 B8R1.1 BrCC1=NSC(=C1)Br MCULE-6571445313 [0,1,0,0,0,0|3,0,0]=4 560 B8R1.1 C#CC1=CC(=CS1)Br MCULE-3230845145 [0,1,0,0,0,0|1,1,1]=4 561 B8R1.1 C#CC1=CC(=NO1)C MCULE-3957210109 [0,1,0,0,0,0|2,0,1]=4 562 B8R1.1 C#CC1=CC=C(O1)C MCULE-6522934730 [0,1,0,0,0,0|1,0,1]=3 563 B8R1.1 C#CC1=CC=C(S1)Br MCULE-6222408890 [0,1,0,0,0,0|1,1,1]=4 564 B8R1.1 C#CC1=CC=C(S1)C MCULE-6122552868 [0,1,0,0,0,0|1,1,1]=4 565 B8R1.1 C#CC1=CC=C(S1)Cl MCULE-7108061723 [0,1,0,0,0,0|1,1,1]=4 566 B8R1.1 C#CC1=CC=C(S1)F MCULE-4485919301 [0,1,0,0,0,0|1,1,1]=4 567 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,1,0,0,0,0|1,0,2]=4 568 B8R1.1 CC1=CC(=CO1)CN MCULE-1388884705 [0,1,0,0,0,0|3,0,0]=4 569 B8R1.1 CC1=CC(=CO1)CO MCULE-3987239184 [0,1,0,0,0,0|2,0,0]=3 570 B8R1.1 CC1=CC(=CS1)CCl MCULE-6498600471 [0,1,0,0,0,0|3,0,0]=4 571 B8R1.1 CC1=CC(=CS1)CN MCULE-1660403633 [0,1,0,0,0,0|3,0,0]=4 572 B8R1.1 CC1=CC(=CS1)CO MCULE-8945003844 [0,1,0,0,0,0|2,0,0]=3 573 B8R1.1 CC1=CC(=CS1)CS MCULE-5106482427 [0,1,0,0,0,0|2,1,0]=4 574 B8R1.1 CC1=CC(=NO1)CBr MCULE-2122372736 [0,1,0,0,0,0|3,0,0]=4 575 B8R1.1 CC1=CC(=NO1)CCl MCULE-7977792936 [0,1,0,0,0,0|3,0,0]=4 576 B8R1.1 CC1=CC(=NO1)CN MCULE-7382076421 [0,1,0,0,0,0|3,0,0]=4 577 B8R1.1 CC1=CC(=NO1)CN MCULE-9571121137 [0,1,0,0,0,0|3,0,0]=4 578 B8R1.1 CC1=CC(=NO1)CN MCULE-9714739003 [0,1,0,0,0,0|3,0,0]=4 579 B8R1.1 CC1=CC(=NO1)CO MCULE-6278663170 [0,1,0,0,0,0|2,0,0]=3 580 B8R1.1 CC1=CC(=NO1)CS MCULE-4166334628 [0,1,0,0,0,0|2,1,0]=4 581 B8R1.1 CC1=CC(=NS1)CO MCULE-2937183883 [0,1,0,0,0,0|2,0,0]=3 582 B8R1.1 CC1=CC=C(N1)C#N MCULE-9857711150 [0,1,0,0,0,0|2,0,1]=4 583 B8R1.1 CC1=CC=C(N1)C=O MCULE-5354578462 [0,1,0,0,0,0|1,0,2]=4 584 B8R1.1 CC1=CC=C(O1)C#N MCULE-5370154607 [0,1,0,0,0,0|1,0,1]=3 585 B8R1.1 CC1=CC=C(O1)C=O MCULE-8936450429 [0,1,0,0,0,0|0,0,2]=3 586 B8R1.1 CC1=CC=C(O1)CN MCULE-4910323936 [0,1,0,0,0,0|1,0,0]=2 587 B8R1.1 CC1=CC=C(O1)CO MCULE-6432692687 [0,1,0,0,0,0|0,0,0]=1 588 B8R1.1 CC1=CC=C(O1)CS MCULE-1214637321 [0,1,0,0,0,0|0,1,0]=2 589 B8R1.1 CC1=CC=C(S1)C#N MCULE-6201890498 [0,1,0,0,0,0|1,1,1]=4 590 B8R1.1 CC1=CC=C(S1)C=O MCULE-5958342819 [0,1,0,0,0,0|0,1,2]=4 591 B8R1.1 CC1=CC=C(S1)CCl MCULE-6705689730 [0,1,0,0,0,0|1,1,0]=3 592 B8R1.1 CC1=CC=C(S1)CN MCULE-3552465764 [0,1,0,0,0,0|1,1,0]=3 593 B8R1.1 CC1=CC=C(S1)CN MCULE-6130519865 [0,1,0,0,0,0|1,1,0]=3 594 B8R1.1 CC1=CC=C(S1)CO MCULE-9602550840 [0,1,0,0,0,0|0,1,0]=2 595 B8R1.1 CC1=CC=C(S1)CS MCULE-2712253511 [0,1,0,0,0,0|0,2,0]=3 596 B8R1.1 CC1=CN(N=C1)CCl MCULE-3560133746 [0,1,0,0,0,0|3,0,0]=4 597 B8R1.1 CC1=CN(N=C1)CCl MCULE-9374230891 [0,1,0,0,0,0|3,0,0]=4 598 B8R1.1 CC1=CN(N=C1)CO MCULE-2512067792 [0,1,0,0,0,0|2,0,0]=3 599 B8R1.1 CC1=CN=C(N1)CN MCULE-6288704075 [0,1,0,0,0,0|3,0,0]=4 600 B8R1.1 CC1=CN=C(O1)C#N MCULE-1815514033 [0,1,0,0,0,0|2,0,1]=4 601 B8R1.1 CC1=CN=C(O1)C=O MCULE-7319634106 [0,1,0,0,0,0|1,0,2]=4 602 B8R1.1 CC1=CN=C(O1)CBr MCULE-4045813059 [0,1,0,0,0,0|2,0,0]=3 603 B8R1.1 CC1=CN=C(O1)CCl MCULE-2180679544 [0,1,0,0,0,0|2,0,0]=3 604 B8R1.1 CC1=CN=C(O1)CN MCULE-2332980863 [0,1,0,0,0,0|2,0,0]=3 605 B8R1.1 CC1=CN=C(O1)CN MCULE-9346100441 [0,1,0,0,0,0|2,0,0]=3 606 B8R1.1 CC1=CN=C(O1)CO MCULE-3291014315 [0,1,0,0,0,0|1,0,0]=2 607 B8R1.1 CC1=CN=C(S1)CCl MCULE-3471224077 [0,1,0,0,0,0|2,1,0]=4 608 B8R1.1 CC1=CN=C(S1)CCl MCULE-7952419469 [0,1,0,0,0,0|2,1,0]=4 609 B8R1.1 CC1=CN=C(S1)CN MCULE-1683050488 [0,1,0,0,0,0|2,1,0]=4 610 B8R1.1 CC1=CN=C(S1)CN MCULE-6287220694 [0,1,0,0,0,0|2,1,0]=4 611 B8R1.1 CC1=CN=C(S1)CO MCULE-6371385016 [0,1,0,0,0,0|1,1,0]=3 612 B8R1.1 CC1=CNC(=C1)C=O MCULE-3466629196 [0,1,0,0,0,0|1,0,2]=4 613 B8R1.1 CC1=CNC(=C1)CO MCULE-7101109021 [0,1,0,0,0,0|1,0,0]=2 614 B8R1.1 CC1=CNC(=N1)CCl MCULE-1277389595 [0,1,0,0,0,0|3,0,0]=4 615 B8R1.1 CC1=CNC(=N1)CCl MCULE-3814500291 [0,1,0,0,0,0|3,0,0]=4 616 B8R1.1 CC1=CNC(=N1)CN MCULE-3505749034 [0,1,0,0,0,0|3,0,0]=4 617 B8R1.1 CC1=CNC(=N1)CO MCULE-3038364221 [0,1,0,0,0,0|2,0,0]=3 618 B8R1.1 CC1=CNC(=N1)CO MCULE-5330165326 [0,1,0,0,0,0|2,0,0]=3 619 B8R1.1 CC1=COC(=C1)C=O MCULE-9840055188 [0,1,0,0,0,0|0,0,2]=3 620 B8R1.1 CC1=COC(=C1)CN MCULE-9366711064 [0,1,0,0,0,0|1,0,0]=2 621 B8R1.1 CC1=COC(=C1)CO MCULE-9819901122 [0,1,0,0,0,0|0,0,0]=1 622 B8R1.1 CC1=COC(=N1)C=O MCULE-2083695470 [0,1,0,0,0,0|1,0,2]=4 623 B8R1.1 CC1=COC(=N1)CN MCULE-9154500205 [0,1,0,0,0,0|2,0,0]=3 624 B8R1.1 CC1=COC(=N1)CN MCULE-9195595305 [0,1,0,0,0,0|2,0,0]=3 625 B8R1.1 CC1=CSC(=C1)C#N MCULE-9809119697 [0,1,0,0,0,0|1,1,1]=4 626 B8R1.1 CC1=CSC(=C1)C=O MCULE-8905758235 [0,1,0,0,0,0|0,1,2]=4 627 B8R1.1 CC1=CSC(=C1)CCl MCULE-7500346218 [0,1,0,0,0,0|1,1,0]=3 628 B8R1.1 CC1=CSC(=C1)CN MCULE-1659315563 [0,1,0,0,0,0|1,1,0]=3 629 B8R1.1 CC1=CSC(=C1)CN MCULE-8106495947 [0,1,0,0,0,0|1,1,0]=3 630 B8R1.1 CC1=CSC(=C1)CO MCULE-9958978862 [0,1,0,0,0,0|0,1,0]=2 631 B8R1.1 CC1=CSC(=N1)CBr MCULE-7975777038 [0,1,0,0,0,0|2,1,0]=4 632 B8R1.1 CC1=CSC(=N1)CCl MCULE-2074854046 [0,1,0,0,0,0|2,1,0]=4 633 B8R1.1 CC1=CSC(=N1)CCl MCULE-8191779088 [0,1,0,0,0,0|2,1,0]=4 634 B8R1.1 CC1=CSC(=N1)CN MCULE-2036507490 [0,1,0,0,0,0|2,1,0]=4 635 B8R1.1 CC1=CSC(=N1)CN MCULE-3717260212 [0,1,0,0,0,0|2,1,0]=4 636 B8R1.1 CC1=CSC(=N1)CN MCULE-9623326508 [0,1,0,0,0,0|2,1,0]=4 637 B8R1.1 CC1=CSC(=N1)CO MCULE-4553999642 [0,1,0,0,0,0|1,1,0]=3 638 B8R1.1 CC1=CSC(=N1)CO MCULE-5222977196 [0,1,0,0,0,0|1,1,0]=3 639 B8R1.1 CC1=NC(=CN1)CCl MCULE-2778090047 [0,1,0,0,0,0|3,0,0]=4 640 B8R1.1 CC1=NC(=CN1)CCl MCULE-7861100498 [0,1,0,0,0,0|3,0,0]=4 641 B8R1.1 CC1=NC(=CN1)CN MCULE-1621249950 [0,1,0,0,0,0|3,0,0]=4 642 B8R1.1 CC1=NC(=CN1)CN MCULE-9000015248 [0,1,0,0,0,0|3,0,0]=4 643 B8R1.1 CC1=NC(=CN1)CO MCULE-9931204526 [0,1,0,0,0,0|2,0,0]=3 644 B8R1.1 CC1=NC(=CO1)CBr MCULE-8285682649 [0,1,0,0,0,0|3,0,0]=4 645 B8R1.1 CC1=NC(=CO1)CCl MCULE-2328104372 [0,1,0,0,0,0|3,0,0]=4 646 B8R1.1 CC1=NC(=CO1)CCl MCULE-2532247167 [0,1,0,0,0,0|3,0,0]=4 647 B8R1.1 CC1=NC(=CO1)CN MCULE-4323920253 [0,1,0,0,0,0|3,0,0]=4 648 B8R1.1 CC1=NC(=CO1)CN MCULE-5313703689 [0,1,0,0,0,0|3,0,0]=4 649 B8R1.1 CC1=NC(=CO1)CN MCULE-9108770081 [0,1,0,0,0,0|3,0,0]=4 650 B8R1.1 CC1=NC(=CO1)CO MCULE-4614847306 [0,1,0,0,0,0|2,0,0]=3 651 B8R1.1 CC1=NC(=CS1)CBr MCULE-2381042666 [0,1,0,0,0,0|3,0,0]=4 652 B8R1.1 CC1=NC(=CS1)CBr MCULE-5598528167 [0,1,0,0,0,0|3,0,0]=4 653 B8R1.1 CC1=NC(=CS1)CCl MCULE-3406865555 [0,1,0,0,0,0|3,0,0]=4 654 B8R1.1 CC1=NC(=CS1)CCl MCULE-7360949163 [0,1,0,0,0,0|3,0,0]=4 655 B8R1.1 CC1=NC(=CS1)CN MCULE-2187735894 [0,1,0,0,0,0|3,0,0]=4 656 B8R1.1 CC1=NC(=CS1)CN MCULE-4020014945 [0,1,0,0,0,0|3,0,0]=4 657 B8R1.1 CC1=NC(=CS1)CN MCULE-6511617067 [0,1,0,0,0,0|3,0,0]=4 658 B8R1.1 CC1=NC(=CS1)CN MCULE-8441763446 [0,1,0,0,0,0|3,0,0]=4 659 B8R1.1 CC1=NC(=CS1)CO MCULE-3800185713 [0,1,0,0,0,0|2,0,0]=3 660 B8R1.1 CC1=NC(=NN1)CO MCULE-1782579280 [0,1,0,0,0,0|3,0,0]=4 661 B8R1.1 CC1=NC(=NO1)CO MCULE-2154639162 [0,1,0,0,0,0|3,0,0]=4 662 B8R1.1 CC1=NC=C(O1)C#N MCULE-1978483401 [0,1,0,0,0,0|2,0,1]=4 663 B8R1.1 CC1=NC=C(O1)C=O MCULE-1917920554 [0,1,0,0,0,0|1,0,2]=4 664 B8R1.1 CC1=NC=C(O1)CCl MCULE-5449451573 [0,1,0,0,0,0|2,0,0]=3 665 B8R1.1 CC1=NC=C(O1)CN MCULE-2444182207 [0,1,0,0,0,0|2,0,0]=3 666 B8R1.1 CC1=NC=C(O1)CO MCULE-3292230075 [0,1,0,0,0,0|1,0,0]=2 667 B8R1.1 CC1=NC=C(O1)CS MCULE-4434068274 [0,1,0,0,0,0|1,1,0]=3 668 B8R1.1 CC1=NC=C(S1)CBr MCULE-6093106685 [0,1,0,0,0,0|2,1,0]=4 669 B8R1.1 CC1=NC=C(S1)CCl MCULE-8834367203 [0,1,0,0,0,0|2,1,0]=4 670 B8R1.1 CC1=NC=C(S1)CCl MCULE-9288369425 [0,1,0,0,0,0|2,1,0]=4 671 B8R1.1 CC1=NC=C(S1)CN MCULE-4699093697 [0,1,0,0,0,0|2,1,0]=4 672 B8R1.1 CC1=NC=C(S1)CN MCULE-5831751422 [0,1,0,0,0,0|2,1,0]=4 673 B8R1.1 CC1=NC=C(S1)CO MCULE-2225279828 [0,1,0,0,0,0|1,1,0]=3 674 B8R1.1 CC1=NN(C=C1)CO MCULE-3616332832 [0,1,0,0,0,0|2,0,0]=3 675 B8R1.1 CC1=NN=C(O1)CBr MCULE-8925222341 [0,1,0,0,0,0|3,0,0]=4 676 B8R1.1 CC1=NN=C(O1)CCl MCULE-9377769470 [0,1,0,0,0,0|3,0,0]=4 677 B8R1.1 CC1=NN=C(O1)CN MCULE-1225454734 [0,1,0,0,0,0|3,0,0]=4 678 B8R1.1 CC1=NN=C(O1)CN MCULE-1369004050 [0,1,0,0,0,0|3,0,0]=4 679 B8R1.1 CC1=NN=C(O1)CN MCULE-3000363624 [0,1,0,0,0,0|3,0,0]=4 680 B8R1.1 CC1=NN=C(O1)CO MCULE-8943829493 [0,1,0,0,0,0|2,0,0]=3 681 B8R1.1 CC1=NN=C(O1)CS MCULE-7881235434 [0,1,0,0,0,0|2,1,0]=4 682 B8R1.1 CC1=NN=C(S1)CO MCULE-9582348627 [0,1,0,0,0,0|2,1,0]=4 683 B8R1.1 CC1=NNC(=C1)CCl MCULE-5638718812 [0,1,0,0,0,0|3,0,0]=4 684 B8R1.1 CC1=NNC(=C1)CCl MCULE-6156693760 [0,1,0,0,0,0|3,0,0]=4 685 B8R1.1 CC1=NNC(=C1)CN MCULE-5757812941 [0,1,0,0,0,0|3,0,0]=4 686 B8R1.1 CC1=NNC(=C1)CN MCULE-6112315224 [0,1,0,0,0,0|3,0,0]=4 687 B8R1.1 CC1=NNC(=C1)CN MCULE-6491310299 [0,1,0,0,0,0|3,0,0]=4 688 B8R1.1 CC1=NNC(=C1)CN MCULE-6763999514 [0,1,0,0,0,0|3,0,0]=4 689 B8R1.1 CC1=NNC(=C1)CO MCULE-2927484356 [0,1,0,0,0,0|2,0,0]=3 690 B8R1.1 CC1=NNC(=N1)CO MCULE-1946681828 [0,1,0,0,0,0|3,0,0]=4 691 B8R1.1 CC1=NOC(=C1)C#N MCULE-6638077030 [0,1,0,0,0,0|2,0,1]=4 692 B8R1.1 CC1=NOC(=C1)C=O MCULE-1834049159 [0,1,0,0,0,0|1,0,2]=4 693 B8R1.1 CC1=NOC(=C1)CBr MCULE-3228768410 [0,1,0,0,0,0|2,0,0]=3 694 B8R1.1 CC1=NOC(=C1)CCl MCULE-5308607069 [0,1,0,0,0,0|2,0,0]=3 695 B8R1.1 CC1=NOC(=C1)CN MCULE-4952273029 [0,1,0,0,0,0|2,0,0]=3 696 B8R1.1 CC1=NOC(=C1)CN MCULE-6200291926 [0,1,0,0,0,0|2,0,0]=3 697 B8R1.1 CC1=NOC(=C1)CN MCULE-8628146882 [0,1,0,0,0,0|2,0,0]=3 698 B8R1.1 CC1=NOC(=C1)CO MCULE-8471512236 [0,1,0,0,0,0|1,0,0]=2 699 B8R1.1 CC1=NOC(=N1)CBr MCULE-1851264919 [0,1,0,0,0,0|3,0,0]=4 700 B8R1.1 CC1=NOC(=N1)CCl MCULE-3136465220 [0,1,0,0,0,0|3,0,0]=4 701 B8R1.1 CC1=NOC(=N1)CN MCULE-1886236616 [0,1,0,0,0,0|3,0,0]=4 702 B8R1.1 CC1=NOC(=N1)CN MCULE-9851377843 [0,1,0,0,0,0|3,0,0]=4 703 B8R1.1 CC1=NOC(=N1)CO MCULE-6143901098 [0,1,0,0,0,0|2,0,0]=3 704 B8R1.1 CC1=NOC(=N1)CS MCULE-9620948063 [0,1,0,0,0,0|2,1,0]=4 705 B8R1.1 CC1=NOC(C1)CO MCULE-8599237142 [0,1,0,0,0,0|1,0,2]=4 706 B8R1.1 CC1=NSC(=C1)CCl MCULE-1398746629 [0,1,0,0,0,0|2,1,0]=4 707 B8R1.1 CC1=NSC(=C1)CCl MCULE-6721267060 [0,1,0,0,0,0|2,1,0]=4 708 B8R1.1 CC1=NSC(=C1)CN MCULE-2901250185 [0,1,0,0,0,0|2,1,0]=4 709 B8R1.1 CC1=NSC(=C1)CO MCULE-9406435734 [0,1,0,0,0,0|1,1,0]=3 710 B8R1.1 CC1=NSC(=N1)CO MCULE-2866014903 [0,1,0,0,0,0|2,1,0]=4 711 B8R1.1 CCC1=CC(=CO1)N MCULE-7306991601 [0,1,0,0,0,0|1,0,0]=2 712 B8R1.1 CCC1=CC(=CS1)Br MCULE-3167392183 [0,1,0,0,0,0|1,1,0]=3 713 B8R1.1 CCC1=CC(=NN1)O MCULE-1729668169 [0,1,0,0,0,0|3,0,0]=4 714 B8R1.1 CCC1=CC(=NO1)N MCULE-9819422415 [0,1,0,0,0,0|2,0,0]=3 715 B8R1.1 CCC1=CC(=NO1)O MCULE-5290421721 [0,1,0,0,0,0|2,0,0]=3 716 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,1,0,0,0,0|2,0,1]=4 717 B8R1.1 CCC1=CC=C(O1)C MCULE-5132828893 [0,1,0,0,0,0|1,0,0]=2 718 B8R1.1 CCC1=CC=C(S1)Br MCULE-9088559964 [0,1,0,0,0,0|1,1,0]=3 719 B8R1.1 CCC1=CC=C(S1)C MCULE-1525253222 [0,1,0,0,0,0|1,1,0]=3 720 B8R1.1 CCC1=CC=C(S1)I MCULE-5549058766 [0,1,0,0,0,0|1,1,0]=3 721 B8R1.1 CCC1=CC=C(S1)O MCULE-9558994100 [0,1,0,0,0,0|1,1,0]=3 722 B8R1.1 CCC1=CC=C(S1)S MCULE-3620116528 [0,1,0,0,0,0|1,1,0]=3 723 B8R1.1 CCC1=CN=C(N1)S MCULE-7761411033 [0,1,0,0,0,0|3,0,0]=4 724 B8R1.1 CCC1=CN=C(O1)N MCULE-9148683882 [0,1,0,0,0,0|2,0,0]=3 725 B8R1.1 CCC1=CN=C(S1)Br MCULE-1973463901 [0,1,0,0,0,0|2,1,0]=4 726 B8R1.1 CCC1=CN=C(S1)Cl MCULE-8952965304 [0,1,0,0,0,0|2,1,0]=4 727 B8R1.1 CCC1=CN=C(S1)N MCULE-6404813764 [0,1,0,0,0,0|2,1,0]=4 728 B8R1.1 CCC1=CN=C(S1)S MCULE-1284252902 [0,1,0,0,0,0|2,1,0]=4 729 B8R1.1 CCC1=CNC(=N)S1 MCULE-2710156107 [0,1,0,0,0,0|2,1,0]=4 730 B8R1.1 CCC1=CNC(=N1)C MCULE-8962137346 [0,1,0,0,0,0|3,0,0]=4 731 B8R1.1 CCC1=CNC(=N1)N MCULE-2806731479 [0,1,0,0,0,0|3,0,0]=4 732 B8R1.1 CCC1=CNC(=N1)N MCULE-5988447444 [0,1,0,0,0,0|3,0,0]=4 733 B8R1.1 CCC1=COC(=N1)N MCULE-5511067384 [0,1,0,0,0,0|3,0,0]=4 734 B8R1.1 CCC1=CSC(=N1)Br MCULE-2119565159 [0,1,0,0,0,0|3,0,0]=4 735 B8R1.1 CCC1=CSC(=N1)Cl MCULE-6209449473 [0,1,0,0,0,0|3,0,0]=4 736 B8R1.1 CCC1=CSC(=N1)F MCULE-3167209934 [0,1,0,0,0,0|3,0,0]=4 737 B8R1.1 CCC1=CSC(=N1)N MCULE-6420589979 [0,1,0,0,0,0|3,0,0]=4 738 B8R1.1 CCC1=CSC(=N1)N MCULE-9421749041 [0,1,0,0,0,0|3,0,0]=4 739 B8R1.1 CCC1=CSC(=O)N1 MCULE-5077264383 [0,1,0,0,0,0|3,0,0]=4 740 B8R1.1 CCC1=CSC(=S)N1 MCULE-3787581352 [0,1,0,0,0,0|3,0,0]=4 741 B8R1.1 CCC1=NC(=CN1)Br MCULE-5495890551 [0,1,0,0,0,0|3,0,0]=4 742 B8R1.1 CCC1=NC(=CN1)C MCULE-2948768112 [0,1,0,0,0,0|3,0,0]=4 743 B8R1.1 CCC1=NC(=CN1)C MCULE-8894571431 [0,1,0,0,0,0|3,0,0]=4 744 B8R1.1 CCC1=NC(=CS1)Br MCULE-6777416914 [0,1,0,0,0,0|2,1,0]=4 745 B8R1.1 CCC1=NC(=CS1)C MCULE-3079802855 [0,1,0,0,0,0|2,1,0]=4 746 B8R1.1 CCC1=NC(=NO1)Br MCULE-9336312910 [0,1,0,0,0,0|3,0,0]=4 747 B8R1.1 CCC1=NC(=NO1)Cl MCULE-9217603926 [0,1,0,0,0,0|3,0,0]=4 748 B8R1.1 CCC1=NC(=NO1)N MCULE-5975072611 [0,1,0,0,0,0|3,0,0]=4 749 B8R1.1 CCC1=NC=C(N1)Cl MCULE-1459392612 [0,1,0,0,0,0|3,0,0]=4 750 B8R1.1 CCC1=NC=C(N1)I MCULE-1056277792 [0,1,0,0,0,0|3,0,0]=4 751 B8R1.1 CCC1=NC=C(O1)Br MCULE-2089503382 [0,1,0,0,0,0|2,0,0]=3 752 B8R1.1 CCC1=NC=C(S1)Br MCULE-1791110831 [0,1,0,0,0,0|2,1,0]=4 753 B8R1.1 CCC1=NC=C(S1)Br MCULE-2372724303 [0,1,0,0,0,0|2,1,0]=4 754 B8R1.1 CCC1=NC=C(S1)N MCULE-8857218915 [0,1,0,0,0,0|2,1,0]=4 755 B8R1.1 CCC1=NN(C=C1)C MCULE-2715674403 [0,1,0,0,0,0|3,0,0]=4 756 B8R1.1 CCC1=NN=C(O1)Br MCULE-9778902058 [0,1,0,0,0,0|3,0,0]=4 757 B8R1.1 CCC1=NN=C(O1)Cl MCULE-2045648210 [0,1,0,0,0,0|3,0,0]=4 758 B8R1.1 CCC1=NN=C(O1)N MCULE-3539868156 [0,1,0,0,0,0|3,0,0]=4 759 B8R1.1 CCC1=NN=C(O1)O MCULE-8594465384 [0,1,0,0,0,0|3,0,0]=4 760 B8R1.1 CCC1=NNC(=C1)C MCULE-4890516961 [0,1,0,0,0,0|3,0,0]=4 761 B8R1.1 CCC1=NNC(=C1)N MCULE-6916452923 [0,1,0,0,0,0|3,0,0]=4 762 B8R1.1 CCC1=NNC(=C1)N MCULE-7462494299 [0,1,0,0,0,0|3,0,0]=4 763 B8R1.1 CCC1=NNC(=C1)N MCULE-9432472621 [0,1,0,0,0,0|3,0,0]=4 764 B8R1.1 CCC1=NNC(=S)O1 MCULE-5215083622 [0,1,0,0,0,0|3,0,0]=4 765 B8R1.1 CCC1=NOC(=C1)I MCULE-3732475307 [0,1,0,0,0,0|3,0,0]=4 766 B8R1.1 CCC1=NOC(=C1)N MCULE-7484001749 [0,1,0,0,0,0|3,0,0]=4 767 B8R1.1 CCC1=NOC(=C1)O MCULE-5509018388 [0,1,0,0,0,0|3,0,0]=4 768 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,1,0,0,0,0|1,0,1]=3 769 B8R1.1 CCN1C=C(C=N1)Br MCULE-3362122584 [0,1,0,0,0,0|3,0,0]=4 770 B8R1.1 CCN1C=C(C=N1)C MCULE-9142546616 [0,1,0,0,0,0|3,0,0]=4 771 B8R1.1 CCN1C=C(C=N1)Cl MCULE-3183706436 [0,1,0,0,0,0|3,0,0]=4 772 B8R1.1 CCN1C=C(C=N1)I MCULE-2750653892 [0,1,0,0,0,0|3,0,0]=4 773 B8R1.1 CCN1C=C(C=N1)N MCULE-2845120023 [0,1,0,0,0,0|3,0,0]=4 774 B8R1.1 CCN1C=C(C=N1)N MCULE-6898982950 [0,1,0,0,0,0|3,0,0]=4 775 B8R1.1 CCN1C=C(C=N1)N MCULE-8630690406 [0,1,0,0,0,0|3,0,0]=4 776 B8R1.1 CCN1C=C(C=N1)O MCULE-7680949966 [0,1,0,0,0,0|3,0,0]=4 777 B8R1.1 CCN1C=C(C=N1)S MCULE-2517021070 [0,1,0,0,0,0|3,0,0]=4 778 B8R1.1 CCN1C=CC(=N1)Br MCULE-7270057281 [0,1,0,0,0,0|3,0,0]=4 779 B8R1.1 CCN1C=CC(=N1)C MCULE-7711852369 [0,1,0,0,0,0|3,0,0]=4 780 B8R1.1 CCN1C=CC(=N1)Cl MCULE-4431911547 [0,1,0,0,0,0|3,0,0]=4 781 B8R1.1 CCN1C=CC(=N1)I MCULE-5402082891 [0,1,0,0,0,0|3,0,0]=4 782 B8R1.1 CCN1C=CC(=N1)N MCULE-4421921289 [0,1,0,0,0,0|3,0,0]=4 783 B8R1.1 CCN1C=CC(=N1)N MCULE-7165181803 [0,1,0,0,0,0|3,0,0]=4 784 B8R1.1 CCN1C=CC(=N1)O MCULE-7532485251 [0,1,0,0,0,0|3,0,0]=4 785 B8R1.1 CN1C=C(C=N1)CO MCULE-5787125938 [0,1,0,0,0,0|3,0,0]=4 786 B8R1.1 CN1C=C(N=N1)CO MCULE-1481303590 [0,1,0,0,0,0|3,0,0]=4 787 B8R1.1 CN1C=C(N=N1)CO MCULE-4674144486 [0,1,0,0,0,0|3,0,0]=4 788 B8R1.1 CN1C=CC(=C1)CN MCULE-6052025237 [0,1,0,0,0,0|3,0,0]=4 789 B8R1.1 CN1C=CC(=C1)CO MCULE-3776279548 [0,1,0,0,0,0|2,0,0]=3 790 B8R1.1 CN1C=CC(=N1)CBr MCULE-3897435227 [0,1,0,0,0,0|3,0,0]=4 791 B8R1.1 CN1C=CC(=N1)CBr MCULE-4848407760 [0,1,0,0,0,0|3,0,0]=4 792 B8R1.1 CN1C=CC(=N1)CCl MCULE-3125912560 [0,1,0,0,0,0|3,0,0]=4 793 B8R1.1 CN1C=CC(=N1)CCl MCULE-5673938888 [0,1,0,0,0,0|3,0,0]=4 794 B8R1.1 CN1C=CC(=N1)CCl MCULE-7522575436 [0,1,0,0,0,0|3,0,0]=4 795 B8R1.1 CN1C=CC(=N1)CN MCULE-1176138422 [0,1,0,0,0,0|3,0,0]=4 796 B8R1.1 CN1C=CC(=N1)CN MCULE-7517113987 [0,1,0,0,0,0|3,0,0]=4 797 B8R1.1 CN1C=CC(=N1)CN MCULE-7962849515 [0,1,0,0,0,0|3,0,0]=4 798 B8R1.1 CN1C=CC(=N1)CO MCULE-7122305416 [0,1,0,0,0,0|2,0,0]=3 799 B8R1.1 CN1C=NC(=C1)CBr MCULE-8588787320 [0,1,0,0,0,0|3,0,0]=4 800 B8R1.1 CN1C=NC(=C1)CBr MCULE-9597472775 [0,1,0,0,0,0|3,0,0]=4 801 B8R1.1 CN1C=NC(=C1)CCl MCULE-4362848462 [0,1,0,0,0,0|3,0,0]=4 802 B8R1.1 CN1C=NC(=C1)CCl MCULE-7435564522 [0,1,0,0,0,0|3,0,0]=4 803 B8R1.1 CN1C=NC(=C1)CN MCULE-1002314861 [0,1,0,0,0,0|3,0,0]=4 804 B8R1.1 CN1C=NC(=C1)CN MCULE-1435457843 [0,1,0,0,0,0|3,0,0]=4 805 B8R1.1 CN1C=NC(=C1)CN MCULE-6481059090 [0,1,0,0,0,0|3,0,0]=4 806 B8R1.1 CN1C=NC(=C1)CO MCULE-2727193030 [0,1,0,0,0,0|2,0,0]=3 807 B8R1.1 CN1C=NC(=C1)CO MCULE-6081728667 [0,1,0,0,0,0|2,0,0]=3 808 B8R1.1 CN1C=NC(=N1)CO MCULE-3510650458 [0,1,0,0,0,0|3,0,0]=4 809 B8R1.1 CN1N=CC(=N1)CO MCULE-8999578050 [0,1,0,0,0,0|3,0,0]=4 810 B8R1.1 COC1=CC(=NO1)N MCULE-3141381616 [0,1,0,0,0,0|3,0,0]=4 811 B8R1.1 COC1=CC=C(S1)Br MCULE-2817253956 [0,1,0,0,0,0|2,1,0]=4 812 B8R1.1 COC1=CC=C(S1)N MCULE-1483058268 [0,1,0,0,0,0|2,1,0]=4 813 B8R1.1 COC1=CN=C(O1)C MCULE-2592630692 [0,1,0,0,0,0|3,0,0]=4 814 B8R1.1 CSC1=CC(=CS1)Br MCULE-4250582797 [0,1,0,0,0,0|2,1,0]=4 815 B8R1.1 CSC1=CC(=CS1)C MCULE-1504425261 [0,1,0,0,0,0|2,1,0]=4 816 B8R1.1 CSC1=CC=C(O1)C MCULE-9492880629 [0,1,0,0,0,0|2,0,0]=3 817 B8R1.1 CSC1=CC=C(S1)Br MCULE-3309879937 [0,1,0,0,0,0|2,1,0]=4 818 B8R1.1 CSC1=CC=C(S1)C MCULE-4604185514 [0,1,0,0,0,0|2,1,0]=4 819 B8R1.1 CSC1=CC=C(S1)Cl MCULE-5909631431 [0,1,0,0,0,0|2,1,0]=4 820 B8R1.1 ClC1=CC(=CS1)CBr MCULE-8669803319 [0,1,0,0,0,0|3,0,0]=4 821 B8R1.1 ClC1=CC=C(S1)CBr MCULE-9492839704 [0,1,0,0,0,0|1,1,0]=3 822 B8R1.1 ClC1=CSC(=C1)CBr MCULE-3970877729 [0,1,0,0,0,0|1,1,0]=3 823 B8R1.1 ClC1=NC(=CO1)CBr MCULE-4858870212 [0,1,0,0,0,0|3,0,0]=4 824 B8R1.1 ClC1=NC(=CS1)CBr MCULE-1689188032 [0,1,0,0,0,0|3,0,0]=4 825 B8R1.1 ClC1=NC=C(S1)CBr MCULE-1819647203 [0,1,0,0,0,0|2,1,0]=4 826 B8R1.1 ClC1=NC=C(S1)CI MCULE-8662037118 [0,1,0,0,0,0|2,1,0]=4 827 B8R1.1 ClCC1=CC(=CS1)Br MCULE-3361077265 [0,1,0,0,0,0|1,1,0]=3 828 B8R1.1 ClCC1=CC(=NO1)Br MCULE-5637384260 [0,1,0,0,0,0|2,0,0]=3 829 B8R1.1 ClCC1=CC=C(S1)Br MCULE-3801265786 [0,1,0,0,0,0|1,1,0]=3 830 B8R1.1 ClCC1=CC=C(S1)Cl MCULE-5383045753 [0,1,0,0,0,0|1,1,0]=3 831 B8R1.1 ClCC1=CN=C(S1)Cl MCULE-6336174208 [0,1,0,0,0,0|2,1,0]=4 832 B8R1.1 ClCC1=CSC(=C1)Br MCULE-4327715660 [0,1,0,0,0,0|3,0,0]=4 833 B8R1.1 ClCC1=CSC(=C1)Cl MCULE-5966021913 [0,1,0,0,0,0|3,0,0]=4 834 B8R1.1 ClCC1=CSC(=N1)Br MCULE-9996471826 [0,1,0,0,0,0|3,0,0]=4 835 B8R1.1 ClCC1=CSC(=N1)Cl MCULE-5626914468 [0,1,0,0,0,0|3,0,0]=4 836 B8R1.1 ClCC1=NC(=CO1)Br MCULE-4397915577 [0,1,0,0,0,0|2,0,0]=3 837 B8R1.1 ClCC1=NC(=CS1)Br MCULE-8744995111 [0,1,0,0,0,0|2,1,0]=4 838 B8R1.1 ClCC1=NC=C(S1)Br MCULE-9223597704 [0,1,0,0,0,0|2,1,0]=4 839 B8R1.1 ClCC1=NC=C(S1)Cl MCULE-7586380435 [0,1,0,0,0,0|2,1,0]=4 840 B8R1.1 ClCN1C=C(C=N1)Br MCULE-6527018815 [0,1,0,0,0,0|3,0,0]=4 841 B8R1.1 ClCN1C=C(C=N1)Cl MCULE-3836339539 [0,1,0,0,0,0|3,0,0]=4 842 B8R1.1 ClCN1C=C(C=N1)Cl MCULE-6661649098 [0,1,0,0,0,0|3,0,0]=4 843 B8R1.1 ClCN1C=CC(=N1)Br MCULE-2480239710 [0,1,0,0,0,0|3,0,0]=4 844 B8R1.1 ClCN1C=CC(=N1)I MCULE-7169565038 [0,1,0,0,0,0|3,0,0]=4 845 B8R1.1 FC1=CC=C(S1)CBr MCULE-5952571808 [0,1,0,0,0,0|1,1,0]=3 846 B8R1.1 FC1=CC=C(S1)CCl MCULE-4034940566 [0,1,0,0,0,0|1,1,0]=3 847 B8R1.1 FCN1C=C(C=N1)Br MCULE-9341335855 [0,1,0,0,0,0|3,0,0]=4 848 B8R1.1 N#CC1=CC(=CN1)Br MCULE-4279289310 [0,1,0,0,0,0|2,0,1]=4 849 B8R1.1 N#CC1=CC(=CN1)Cl MCULE-5451096839 [0,1,0,0,0,0|2,0,1]=4 850 B8R1.1 N#CC1=CC(=CS1)Br MCULE-2536655690 [0,1,0,0,0,0|1,1,1]=4 851 B8R1.1 N#CC1=CC(=CS1)Cl MCULE-8761293304 [0,1,0,0,0,0|1,1,1]=4 852 B8R1.1 N#CC1=CC(=CS1)F MCULE-9177139004 [0,1,0,0,0,0|1,1,1]=4 853 B8R1.1 N#CC1=CC(=CS1)N MCULE-2480152845 [0,1,0,0,0,0|1,1,1]=4 854 B8R1.1 N#CC1=CC(=CS1)N MCULE-5951926092 [0,1,0,0,0,0|1,1,1]=4 855 B8R1.1 N#CC1=CC(=NO1)Br MCULE-8577548365 [0,1,0,0,0,0|2,0,1]=4 856 B8R1.1 N#CC1=CC(=NO1)N MCULE-7220890358 [0,1,0,0,0,0|2,0,1]=4 857 B8R1.1 N#CC1=CC=C(N1)Br MCULE-9568279086 [0,1,0,0,0,0|2,0,1]=4 858 B8R1.1 N#CC1=CC=C(O1)Br MCULE-2070960305 [0,1,0,0,0,0|1,0,1]=3 859 B8R1.1 N#CC1=CC=C(O1)Cl MCULE-2087137612 [0,1,0,0,0,0|1,0,1]=3 860 B8R1.1 N#CC1=CC=C(O1)I MCULE-7404127995 [0,1,0,0,0,0|1,0,1]=3 861 B8R1.1 N#CC1=CC=C(S1)Br MCULE-7751304229 [0,1,0,0,0,0|1,1,1]=4 862 B8R1.1 N#CC1=CC=C(S1)Cl MCULE-5678558209 [0,1,0,0,0,0|1,1,1]=4 863 B8R1.1 N#CC1=CC=C(S1)F MCULE-7102333832 [0,1,0,0,0,0|1,1,1]=4 864 B8R1.1 N#CC1=CC=C(S1)I MCULE-6603452583 [0,1,0,0,0,0|1,1,1]=4 865 B8R1.1 N#CC1=CC=C(S1)N MCULE-4123940889 [0,1,0,0,0,0|1,1,1]=4 866 B8R1.1 NC1=CC(=NS1)CO MCULE-4226511493 [0,1,0,0,0,0|2,0,0]=3 867 B8R1.1 NC1=NC(=CO1)CO MCULE-7801896021 [0,1,0,0,0,0|2,0,0]=3 868 B8R1.1 NC1=NC(=CS1)CCl MCULE-7872971411 [0,1,0,0,0,0|3,0,0]=4 869 B8R1.1 NC1=NC(=CS1)CCl MCULE-9692173553 [0,1,0,0,0,0|3,0,0]=4 870 B8R1.1 NC1=NC(=CS1)CO MCULE-5650655946 [0,1,0,0,0,0|2,0,0]=3 871 B8R1.1 NC1=NC(=CS1)CO MCULE-7197783601 [0,1,0,0,0,0|2,0,0]=3 872 B8R1.1 NC1=NC(=NN1)CO MCULE-8917058952 [0,1,0,0,0,0|3,0,0]=4 873 B8R1.1 NC1=NC(=NO1)CO MCULE-6240067652 [0,1,0,0,0,0|3,0,0]=4 874 B8R1.1 NC1=NC=C(S1)CO MCULE-2725928810 [0,1,0,0,0,0|1,1,0]=3 875 B8R1.1 NC1=NC=C(S1)CO MCULE-5454119143 [0,1,0,0,0,0|1,1,0]=3 876 B8R1.1 NC1=NN=C(O1)CCl MCULE-3126253529 [0,1,0,0,0,0|3,0,0]=4 877 B8R1.1 NC1=NN=C(O1)CO MCULE-5792196860 [0,1,0,0,0,0|2,0,0]=3 878 B8R1.1 NC1=NN=C(S1)CO MCULE-1932183192 [0,1,0,0,0,0|2,1,0]=4 879 B8R1.1 NC1=NNC(=C1)CO MCULE-2260146114 [0,1,0,0,0,0|2,0,0]=3 880 B8R1.1 NC1=NNC(=C1)CO MCULE-2306986016 [0,1,0,0,0,0|2,0,0]=3 881 B8R1.1 NC1C=CC(C1)CO MCULE-6409966211 [0,1,0,0,0,0|1,0,2]=4 882 B8R1.1 NC1C=CC(C1)CO MCULE-9217183744 [0,1,0,0,0,0|1,0,2]=4 883 B8R1.1 NCC1=CC(=CN1)Br MCULE-7781561286 [0,1,0,0,0,0|2,0,0]=3 884 B8R1.1 NCC1=CC(=CO1)Br MCULE-4464454364 [0,1,0,0,0,0|1,0,0]=2 885 B8R1.1 NCC1=CC(=CO1)Br MCULE-4921894623 [0,1,0,0,0,0|1,0,0]=2 886 B8R1.1 NCC1=CC(=CO1)Cl MCULE-2217104765 [0,1,0,0,0,0|1,0,0]=2 887 B8R1.1 NCC1=CC(=CO1)Cl MCULE-3941430996 [0,1,0,0,0,0|1,0,0]=2 888 B8R1.1 NCC1=CC(=CS1)Br MCULE-2434576625 [0,1,0,0,0,0|1,1,0]=3 889 B8R1.1 NCC1=CC(=CS1)Br MCULE-4418346971 [0,1,0,0,0,0|1,1,0]=3 890 B8R1.1 NCC1=CC(=CS1)Br MCULE-6244108399 [0,1,0,0,0,0|1,1,0]=3 891 B8R1.1 NCC1=CC(=CS1)Cl MCULE-4047887770 [0,1,0,0,0,0|1,1,0]=3 892 B8R1.1 NCC1=CC(=CS1)Cl MCULE-5332953068 [0,1,0,0,0,0|1,1,0]=3 893 B8R1.1 NCC1=CC(=NO1)Br MCULE-1152141729 [0,1,0,0,0,0|2,0,0]=3 894 B8R1.1 NCC1=CC(=NO1)Br MCULE-4559076189 [0,1,0,0,0,0|2,0,0]=3 895 B8R1.1 NCC1=CC(=NO1)O MCULE-5314463544 [0,1,0,0,0,0|2,0,0]=3 896 B8R1.1 NCC1=CC(=O)NN1 MCULE-2068219702 [0,1,0,0,0,0|3,0,0]=4 897 B8R1.1 NCC1=CC(=O)NN1 MCULE-4411713656 [0,1,0,0,0,0|3,0,0]=4 898 B8R1.1 NCC1=CC(=O)NO1 MCULE-1130806657 [0,1,0,0,0,0|2,0,0]=3 899 B8R1.1 NCC1=CC(=O)NS1 MCULE-6498362380 [0,1,0,0,0,0|2,1,0]=4 900 B8R1.1 NCC1=CC(=O)NS1 MCULE-6903647725 [0,1,0,0,0,0|2,1,0]=4 901 B8R1.1 NCC1=CC=C(O1)Br MCULE-2668133450 [0,1,0,0,0,0|1,0,0]=2 902 B8R1.1 NCC1=CC=C(O1)Br MCULE-8433134171 [0,1,0,0,0,0|1,0,0]=2 903 B8R1.1 NCC1=CC=C(O1)Cl MCULE-9752823854 [0,1,0,0,0,0|1,0,0]=2 904 B8R1.1 NCC1=CC=C(S1)Br MCULE-1146542007 [0,1,0,0,0,0|1,1,0]=3 905 B8R1.1 NCC1=CC=C(S1)Br MCULE-2978101794 [0,1,0,0,0,0|1,1,0]=3 906 B8R1.1 NCC1=CC=C(S1)Br MCULE-9527337739 [0,1,0,0,0,0|1,1,0]=3 907 B8R1.1 NCC1=CC=C(S1)Cl MCULE-1908338735 [0,1,0,0,0,0|1,1,0]=3 908 B8R1.1 NCC1=CC=C(S1)Cl MCULE-3628667258 [0,1,0,0,0,0|1,1,0]=3 909 B8R1.1 NCC1=CC=C(S1)F MCULE-3791630542 [0,1,0,0,0,0|1,1,0]=3 910 B8R1.1 NCC1=CC=C(S1)F MCULE-6828088848 [0,1,0,0,0,0|1,1,0]=3 911 B8R1.1 NCC1=CN=C(S1)Br MCULE-8910680807 [0,1,0,0,0,0|2,1,0]=4 912 B8R1.1 NCC1=CN=C(S1)Br MCULE-9955997447 [0,1,0,0,0,0|2,1,0]=4 913 B8R1.1 NCC1=CN=C(S1)Cl MCULE-2325518280 [0,1,0,0,0,0|2,1,0]=4 914 B8R1.1 NCC1=CN=C(S1)Cl MCULE-4369264386 [0,1,0,0,0,0|2,1,0]=4 915 B8R1.1 NCC1=CN=C(S1)N MCULE-6885414988 [0,1,0,0,0,0|2,1,0]=4 916 B8R1.1 NCC1=CN=C(S1)N MCULE-9851225199 [0,1,0,0,0,0|2,1,0]=4 917 B8R1.1 NCC1=CNC(=O)N1 MCULE-3321939925 [0,1,0,0,0,0|3,0,0]=4 918 B8R1.1 NCC1=CNC(=O)N1 MCULE-3888589701 [0,1,0,0,0,0|3,0,0]=4 919 B8R1.1 NCC1=COC(=C1)Br MCULE-4929405905 [0,1,0,0,0,0|3,0,0]=4 920 B8R1.1 NCC1=CSC(=C1)Br MCULE-1868523519 [0,1,0,0,0,0|3,0,0]=4 921 B8R1.1 NCC1=CSC(=C1)Br MCULE-6961466938 [0,1,0,0,0,0|3,0,0]=4 922 B8R1.1 NCC1=CSC(=C1)Cl MCULE-7203661642 [0,1,0,0,0,0|3,0,0]=4 923 B8R1.1 NCC1=CSC(=C1)Cl MCULE-8331946077 [0,1,0,0,0,0|3,0,0]=4 924 B8R1.1 NCC1=CSC(=N1)Br MCULE-1336177878 [0,1,0,0,0,0|3,0,0]=4 925 B8R1.1 NCC1=CSC(=N1)Br MCULE-4499696819 [0,1,0,0,0,0|3,0,0]=4 926 B8R1.1 NCC1=CSC(=N1)Cl MCULE-3268796845 [0,1,0,0,0,0|3,0,0]=4 927 B8R1.1 NCC1=CSC(=N1)Cl MCULE-3888558712 [0,1,0,0,0,0|3,0,0]=4 928 B8R1.1 NCC1=CSC(=N1)N MCULE-9543178668 [0,1,0,0,0,0|3,0,0]=4 929 B8R1.1 NCC1=CSC(=N1)N MCULE-9888473144 [0,1,0,0,0,0|3,0,0]=4 930 B8R1.1 NCC1=NC(=CO1)Br MCULE-6056143880 [0,1,0,0,0,0|2,0,0]=3 931 B8R1.1 NCC1=NC(=CO1)Br MCULE-6266011516 [0,1,0,0,0,0|2,0,0]=3 932 B8R1.1 NCC1=NC(=CS1)Br MCULE-4133588049 [0,1,0,0,0,0|2,1,0]=4 933 B8R1.1 NCC1=NC(=CS1)Br MCULE-5696075194 [0,1,0,0,0,0|2,1,0]=4 934 B8R1.1 NCC1=NC(=CS1)Cl MCULE-9456344612 [0,1,0,0,0,0|2,1,0]=4 935 B8R1.1 NCC1=NC(=NO1)Br MCULE-8996620579 [0,1,0,0,0,0|3,0,0]=4 936 B8R1.1 NCC1=NC=C(O1)Br MCULE-2342188912 [0,1,0,0,0,0|2,0,0]=3 937 B8R1.1 NCC1=NC=C(O1)Br MCULE-4953073682 [0,1,0,0,0,0|2,0,0]=3 938 B8R1.1 NCC1=NC=C(S1)Br MCULE-2655152875 [0,1,0,0,0,0|2,1,0]=4 939 B8R1.1 NCC1=NC=C(S1)Br MCULE-4658793231 [0,1,0,0,0,0|2,1,0]=4 940 B8R1.1 NCC1=NC=C(S1)Cl MCULE-5967248836 [0,1,0,0,0,0|2,1,0]=4 941 B8R1.1 NCC1=NC=C(S1)Cl MCULE-7733128837 [0,1,0,0,0,0|2,1,0]=4 942 B8R1.1 NCC1=NN=C(O1)N MCULE-5056691713 [0,1,0,0,0,0|3,0,0]=4 943 B8R1.1 NCC1=NN=C(O1)N MCULE-6853742409 [0,1,0,0,0,0|3,0,0]=4 944 B8R1.1 NCC1=NNC(=C1)F MCULE-6622166859 [0,1,0,0,0,0|3,0,0]=4 945 B8R1.1 NCC1=NNC(=C1)F MCULE-6663217328 [0,1,0,0,0,0|3,0,0]=4 946 B8R1.1 NCC1=NNC(=O)O1 MCULE-2902836160 [0,1,0,0,0,0|3,0,0]=4 947 B8R1.1 NCC1=NNC(=O)O1 MCULE-4183826388 [0,1,0,0,0,0|3,0,0]=4 948 B8R1.1 NCC1=NSC(=C1)Br MCULE-1638470283 [0,1,0,0,0,0|3,0,0]=4 949 B8R1.1 NCC1=NSC(=C1)Br MCULE-4540050065 [0,1,0,0,0,0|3,0,0]=4 950 B8R1.1 NOC1=CC=C(S1)Br MCULE-1844274193 [0,1,0,0,0,0|2,1,0]=4 951 B8R1.1 NOC1=CC=C(S1)Br MCULE-7230123971 [0,1,0,0,0,0|2,1,0]=4 952 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-6317024482 [0,1,0,0,0,0|1,0,2]=4 953 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-7574782144 [0,1,0,0,0,0|1,0,2]=4 954 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-7925480161 [0,1,0,0,0,0|1,0,2]=4 955 B8R1.1 N[C@@H]1C=C[C@@H](C1)CO MCULE-8008829330 [0,1,0,0,0,0|1,0,2]=4 956 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-3324290612 [0,1,0,0,0,0|1,0,2]=4 957 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-3860506121 [0,1,0,0,0,0|1,0,2]=4 958 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4118050926 [0,1,0,0,0,0|1,0,2]=4 959 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4136002750 [0,1,0,0,0,0|1,0,2]=4 960 B8R1.1 N[C@H]1C=C[C@H](C1)CO MCULE-4159108338 [0,1,0,0,0,0|1,0,2]=4 961 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,1,0,0,0,0|3,0,0]=4 962 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,1,0,0,0,0|3,0,0]=4 963 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,1,0,0,0,0|2,0,0]=3 964 B8R1.1 O=C1C=CC(O1)CBr MCULE-5454606396 [0,1,0,0,0,0|1,0,1]=3 965 B8R1.1 O=C1C=CC(O1)CO MCULE-4249850069 [0,1,0,0,0,0|0,0,1]=2 966 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-3027706549 [0,1,0,0,0,0|0,0,1]=2 967 B8R1.1 O=C1C=C[C@H](O1)CO MCULE-5764400462 [0,1,0,0,0,0|0,0,1]=2 968 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,1,0,0,0,0|0,0,3]=4 969 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,1,0,0,0,0|0,0,3]=4 970 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,1,0,0,0,0|0,0,3]=4 971 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,1,0,0,0,0|0,0,3]=4 972 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,1,0,0,0,0|0,0,3]=4 973 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,1,0,0,0,0|0,0,3]=4 974 B8R1.1 O=C1N=C(NN1)CO MCULE-7949275954 [0,1,0,0,0,0|3,0,0]=4 975 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,1,0,0,0,0|1,0,2]=4 976 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,1,0,0,0,0|1,0,2]=4 977 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,1,0,0,0,0|1,0,2]=4 978 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,1,0,0,0,0|1,0,2]=4 979 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,1,0,0,0,0|1,0,2]=4 980 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,1,0,0,0,0|1,0,2]=4 981 B8R1.1 O=CC1=CC(=CN1)Br MCULE-5632187730 [0,1,0,0,0,0|1,0,2]=4 982 B8R1.1 O=CC1=CC(=CN1)Cl MCULE-6401616436 [0,1,0,0,0,0|1,0,2]=4 983 B8R1.1 O=CC1=CC(=CN1)I MCULE-9362866105 [0,1,0,0,0,0|1,0,2]=4 984 B8R1.1 O=CC1=CC(=CO1)Br MCULE-1069927130 [0,1,0,0,0,0|0,0,2]=3 985 B8R1.1 O=CC1=CC(=CO1)Cl MCULE-9372511685 [0,1,0,0,0,0|0,0,2]=3 986 B8R1.1 O=CC1=CC(=CS1)Br MCULE-2361261417 [0,1,0,0,0,0|0,1,2]=4 987 B8R1.1 O=CC1=CC(=CS1)Cl MCULE-3327351255 [0,1,0,0,0,0|0,1,2]=4 988 B8R1.1 O=CC1=CC(=CS1)F MCULE-8971110775 [0,1,0,0,0,0|0,1,2]=4 989 B8R1.1 O=CC1=CC(=CS1)I MCULE-5891393780 [0,1,0,0,0,0|0,1,2]=4 990 B8R1.1 O=CC1=CC(=NO1)Br MCULE-8160002215 [0,1,0,0,0,0|1,0,2]=4 991 B8R1.1 O=CC1=CC=C(N1)Br MCULE-8928897779 [0,1,0,0,0,0|1,0,2]=4 992 B8R1.1 O=CC1=CC=C(N1)Cl MCULE-5047257153 [0,1,0,0,0,0|1,0,2]=4 993 B8R1.1 O=CC1=CC=C(N1)I MCULE-3653035152 [0,1,0,0,0,0|1,0,2]=4 994 B8R1.1 O=CC1=CC=C(O1)Br MCULE-1207870014 [0,1,0,0,0,0|0,0,2]=3 995 B8R1.1 O=CC1=CC=C(O1)Cl MCULE-2826542626 [0,1,0,0,0,0|0,0,2]=3 996 B8R1.1 O=CC1=CC=C(O1)I MCULE-7150258096 [0,1,0,0,0,0|0,0,2]=3 997 B8R1.1 O=CC1=CC=C(S1)Br MCULE-1346963883 [0,1,0,0,0,0|0,1,2]=4 998 B8R1.1 O=CC1=CC=C(S1)Cl MCULE-3420682275 [0,1,0,0,0,0|0,1,2]=4 999 B8R1.1 O=CC1=CC=C(S1)F MCULE-4838110679 [0,1,0,0,0,0|0,1,2]=4 1000 B8R1.1 O=CC1=CC=C(S1)I MCULE-8126489449 [0,1,0,0,0,0|0,1,2]=4 1001 B8R1.1 O=CC1=NC(=CO1)Br MCULE-3462956830 [0,1,0,0,0,0|1,0,2]=4 1002 B8R1.1 O=CC1=NC(=CO1)Cl MCULE-8592403281 [0,1,0,0,0,0|1,0,2]=4 1003 B8R1.1 O=CC1=NC=C(O1)Br MCULE-5751574538 [0,1,0,0,0,0|1,0,2]=4 1004 B8R1.1 O=CC1=NC=C(O1)Cl MCULE-1592448969 [0,1,0,0,0,0|1,0,2]=4 1005 B8R1.1 OCC1=CC(=CN1)Br MCULE-5523343345 [0,1,0,0,0,0|1,0,0]=2 1006 B8R1.1 OCC1=CC(=CO1)Br MCULE-6078235234 [0,1,0,0,0,0|0,0,0]=1 1007 B8R1.1 OCC1=CC(=CS1)Br MCULE-6293565888 [0,1,0,0,0,0|0,1,0]=2 1008 B8R1.1 OCC1=CC(=CS1)Cl MCULE-9659312690 [0,1,0,0,0,0|0,1,0]=2 1009 B8R1.1 OCC1=CC(=CS1)F MCULE-4430237555 [0,1,0,0,0,0|0,1,0]=2 1010 B8R1.1 OCC1=CC(=NO1)Br MCULE-1915933857 [0,1,0,0,0,0|1,0,0]=2 1011 B8R1.1 OCC1=CC=C(O1)Br MCULE-1647425150 [0,1,0,0,0,0|0,0,0]=1 1012 B8R1.1 OCC1=CC=C(O1)Cl MCULE-4281362938 [0,1,0,0,0,0|0,0,0]=1 1013 B8R1.1 OCC1=CC=C(O1)I MCULE-5515138864 [0,1,0,0,0,0|0,0,0]=1 1014 B8R1.1 OCC1=CC=C(S1)Br MCULE-6118367838 [0,1,0,0,0,0|0,1,0]=2 1015 B8R1.1 OCC1=CC=C(S1)Cl MCULE-9332302325 [0,1,0,0,0,0|0,1,0]=2 1016 B8R1.1 OCC1=CC=C(S1)F MCULE-2024728564 [0,1,0,0,0,0|0,1,0]=2 1017 B8R1.1 OCC1=CC=C(S1)I MCULE-5353895493 [0,1,0,0,0,0|0,1,0]=2 1018 B8R1.1 OCC1=CN=C(N1)Br MCULE-1417335084 [0,1,0,0,0,0|2,0,0]=3 1019 B8R1.1 OCC1=CN=C(O1)Br MCULE-2624895800 [0,1,0,0,0,0|1,0,0]=2 1020 B8R1.1 OCC1=CN=C(O1)Cl MCULE-9367527022 [0,1,0,0,0,0|1,0,0]=2 1021 B8R1.1 OCC1=CN=C(S1)Br MCULE-9847079398 [0,1,0,0,0,0|1,1,0]=3 1022 B8R1.1 OCC1=CN=C(S1)Cl MCULE-9579378341 [0,1,0,0,0,0|1,1,0]=3 1023 B8R1.1 OCC1=COC(=N1)Br MCULE-9782978870 [0,1,0,0,0,0|2,0,0]=3 1024 B8R1.1 OCC1=COC(=N1)Cl MCULE-6090597350 [0,1,0,0,0,0|2,0,0]=3 1025 B8R1.1 OCC1=CSC(=C1)Br MCULE-4404258060 [0,1,0,0,0,0|2,0,0]=3 1026 B8R1.1 OCC1=CSC(=C1)Cl MCULE-3839005318 [0,1,0,0,0,0|2,0,0]=3 1027 B8R1.1 OCC1=CSC(=N1)Br MCULE-2467523344 [0,1,0,0,0,0|2,0,0]=3 1028 B8R1.1 OCC1=CSC(=N1)Br MCULE-6924058924 [0,1,0,0,0,0|2,0,0]=3 1029 B8R1.1 OCC1=CSC(=N1)Cl MCULE-8026725400 [0,1,0,0,0,0|2,0,0]=3 1030 B8R1.1 OCC1=CSC(=N1)S MCULE-3596419993 [0,1,0,0,0,0|2,0,0]=3 1031 B8R1.1 OCC1=NC(=CN1)Br MCULE-5440191982 [0,1,0,0,0,0|2,0,0]=3 1032 B8R1.1 OCC1=NC(=CO1)Br MCULE-8231091566 [0,1,0,0,0,0|1,0,0]=2 1033 B8R1.1 OCC1=NC(=CS1)Br MCULE-1206365627 [0,1,0,0,0,0|1,1,0]=3 1034 B8R1.1 OCC1=NC(=NN1)Br MCULE-4895792895 [0,1,0,0,0,0|3,0,0]=4 1035 B8R1.1 OCC1=NC(=NN1)Br MCULE-7395526946 [0,1,0,0,0,0|3,0,0]=4 1036 B8R1.1 OCC1=NC(=NN1)Cl MCULE-9894641522 [0,1,0,0,0,0|3,0,0]=4 1037 B8R1.1 OCC1=NC(=NO1)Br MCULE-6575855694 [0,1,0,0,0,0|2,0,0]=3 1038 B8R1.1 OCC1=NC(=S)NN1 MCULE-8975485522 [0,1,0,0,0,0|3,0,0]=4 1039 B8R1.1 OCC1=NC=C(N1)I MCULE-1928423091 [0,1,0,0,0,0|2,0,0]=3 1040 B8R1.1 OCC1=NC=C(O1)Br MCULE-7177471296 [0,1,0,0,0,0|1,0,0]=2 1041 B8R1.1 OCC1=NC=C(S1)Br MCULE-5751095120 [0,1,0,0,0,0|1,1,0]=3 1042 B8R1.1 OCC1=NC=C(S1)Cl MCULE-4406835300 [0,1,0,0,0,0|1,1,0]=3 1043 B8R1.1 OCC1=NN=C(S1)Br MCULE-4275873404 [0,1,0,0,0,0|2,1,0]=4 1044 B8R1.1 OCC1=NN=C(S1)Cl MCULE-9973756016 [0,1,0,0,0,0|2,1,0]=4 1045 B8R1.1 OCC1=NNC(=C1)Br MCULE-4456951301 [0,1,0,0,0,0|2,0,0]=3 1046 B8R1.1 OCC1=NNC(=C1)Br MCULE-7909316407 [0,1,0,0,0,0|2,0,0]=3 1047 B8R1.1 OCC1=NNC(=C1)Cl MCULE-9569942203 [0,1,0,0,0,0|2,0,0]=3 1048 B8R1.1 OCC1=NNC(=C1)F MCULE-6570689919 [0,1,0,0,0,0|2,0,0]=3 1049 B8R1.1 OCC1=NNC(=C1)O MCULE-1256308345 [0,1,0,0,0,0|2,0,0]=3 1050 B8R1.1 OCN1C=C(C=N1)Br MCULE-4590004826 [0,1,0,0,0,0|2,0,0]=3 1051 B8R1.1 OCN1C=C(C=N1)Cl MCULE-9200152131 [0,1,0,0,0,0|2,0,0]=3 1052 B8R1.1 OCN1C=CC(=N1)Br MCULE-8625850490 [0,1,0,0,0,0|2,0,0]=3 1053 B8R1.1 OCN1C=CC(=N1)I MCULE-6532746029 [0,1,0,0,0,0|2,0,0]=3 1054 B8R1.1 OCN1C=NC(=N1)Br MCULE-6894824456 [0,1,0,0,0,0|3,0,0]=4 1055 B8R1.1 OCN1C=NC(=N1)Cl MCULE-5594595983 [0,1,0,0,0,0|3,0,0]=4 1056 B8R1.1 SCC1=CC=C(O1)Cl MCULE-6441600324 [0,1,0,0,0,0|0,1,0]=2 1057 B8R1.1 SCC1=CC=C(S1)Br MCULE-1152382615 [0,1,0,0,0,0|0,2,0]=3 1058 B8R1.1 [C@H]1(C=C[C@@H](C1)N)CO MCULE-5721231711 [0,1,0,0,0,0|1,0,2]=4 1059 B8R1.7 C1=NC(=CS1)C(=O)O MCULE-4723437766 [0,1,0,0,0,0|2,0,1]=4 1060 B8R1.7 C=C(C)C1=CC=CO1 MCULE-6798465856 [0,1,0,0,0,0|1,0,1]=3 1061 B8R1.7 C=C(C)C1=CC=CS1 MCULE-1440811307 [0,1,0,0,0,0|1,1,1]=4 1062 B8R1.7 CC(=C1C=CC=C1)C MCULE-1513653645 [0,1,0,0,0,0|2,0,1]=4 1063 B8R1.7 CC(=C1C=CC=C1)O MCULE-1295162717 [0,1,0,0,0,0|1,0,1]=3 1064 B8R1.7 CC(=C1C=CC=C1)O MCULE-5249133210 [0,1,0,0,0,0|1,0,1]=3 1065 B8R1.7 CC(=O)C1=CC=CN1 MCULE-8111376055 [0,1,0,0,0,0|1,0,2]=4 1066 B8R1.7 CC(=O)C1=CC=CO1 MCULE-6389695813 [0,1,0,0,0,0|0,0,2]=3 1067 B8R1.7 CC(=O)C1=CC=CS1 MCULE-7771755380 [0,1,0,0,0,0|0,1,2]=4 1068 B8R1.7 CC(=O)C1=CC=NO1 MCULE-6400530220 [0,1,0,0,0,0|1,0,2]=4 1069 B8R1.7 CC(=O)C1=CC=NO1 MCULE-7437421488 [0,1,0,0,0,0|1,0,2]=4 1070 B8R1.7 CC(=O)C1=CN=CO1 MCULE-6114499046 [0,1,0,0,0,0|1,0,2]=4 1071 B8R1.7 CC(=O)C1=NC=CO1 MCULE-4439017055 [0,1,0,0,0,0|1,0,2]=4 1072 B8R1.7 CC(Br)C1=NC=CS1 MCULE-4689012557 [0,1,0,0,0,0|2,1,0]=4 1073 B8R1.7 CC(C)C1=CC=CO1 MCULE-5006919612 [0,1,0,0,0,0|1,0,0]=2 1074 B8R1.7 CC(C)C1=CN=CS1 MCULE-9314612007 [0,1,0,0,0,0|2,1,0]=4 1075 B8R1.7 CC(C)C1=CNC=N1 MCULE-1449200590 [0,1,0,0,0,0|3,0,0]=4 1076 B8R1.7 CC(C)C1=COC=N1 MCULE-2962516918 [0,1,0,0,0,0|3,0,0]=4 1077 B8R1.7 CC(C)C1=NC=CN1 MCULE-7838229251 [0,1,0,0,0,0|3,0,0]=4 1078 B8R1.7 CC(C)C1=NC=CO1 MCULE-5413721283 [0,1,0,0,0,0|2,0,0]=3 1079 B8R1.7 CC(C)C1=NC=CS1 MCULE-8990286710 [0,1,0,0,0,0|2,1,0]=4 1080 B8R1.7 CC(C)C1=NN=CO1 MCULE-9314239169 [0,1,0,0,0,0|3,0,0]=4 1081 B8R1.7 CC(C)C1=NNC=C1 MCULE-4697606201 [0,1,0,0,0,0|3,0,0]=4 1082 B8R1.7 CC(C)N1C=CC=N1 MCULE-8969827138 [0,1,0,0,0,0|3,0,0]=4 1083 B8R1.7 CC(Cl)C1=NC=CS1 MCULE-8540574041 [0,1,0,0,0,0|2,1,0]=4 1084 B8R1.7 CC(N)C1=CC=CN1 MCULE-9720864172 [0,1,0,0,0,0|2,0,0]=3 1085 B8R1.7 CC(N)C1=CC=CO1 MCULE-6881825521 [0,1,0,0,0,0|1,0,0]=2 1086 B8R1.7 CC(N)C1=CC=CO1 MCULE-9729112122 [0,1,0,0,0,0|1,0,0]=2 1087 B8R1.7 CC(N)C1=CC=CS1 MCULE-5698442860 [0,1,0,0,0,0|1,1,0]=3 1088 B8R1.7 CC(N)C1=CC=CS1 MCULE-7070682016 [0,1,0,0,0,0|1,1,0]=3 1089 B8R1.7 CC(N)C1=CC=CS1 MCULE-8765184001 [0,1,0,0,0,0|1,1,0]=3 1090 B8R1.7 CC(N)C1=CC=NN1 MCULE-4203314040 [0,1,0,0,0,0|3,0,0]=4 1091 B8R1.7 CC(N)C1=CC=NO1 MCULE-6427723585 [0,1,0,0,0,0|2,0,0]=3 1092 B8R1.7 CC(N)C1=CC=NO1 MCULE-8163740045 [0,1,0,0,0,0|2,0,0]=3 1093 B8R1.7 CC(N)C1=CC=NS1 MCULE-6106543797 [0,1,0,0,0,0|2,1,0]=4 1094 B8R1.7 CC(N)C1=CC=NS1 MCULE-8210602110 [0,1,0,0,0,0|2,1,0]=4 1095 B8R1.7 CC(N)C1=CN=CO1 MCULE-2970553630 [0,1,0,0,0,0|2,0,0]=3 1096 B8R1.7 CC(N)C1=CN=CO1 MCULE-3471430128 [0,1,0,0,0,0|2,0,0]=3 1097 B8R1.7 CC(N)C1=CN=CS1 MCULE-5629005149 [0,1,0,0,0,0|2,1,0]=4 1098 B8R1.7 CC(N)C1=CN=CS1 MCULE-9576672369 [0,1,0,0,0,0|2,1,0]=4 1099 B8R1.7 CC(N)C1=CNC=N1 MCULE-4448944327 [0,1,0,0,0,0|3,0,0]=4 1100 B8R1.7 CC(N)C1=CNC=N1 MCULE-4737089050 [0,1,0,0,0,0|3,0,0]=4 1101 B8R1.7 CC(N)C1=COC=C1 MCULE-2824319925 [0,1,0,0,0,0|3,0,0]=4 1102 B8R1.7 CC(N)C1=COC=C1 MCULE-6310221082 [0,1,0,0,0,0|3,0,0]=4 1103 B8R1.7 CC(N)C1=COC=C1 MCULE-8534681003 [0,1,0,0,0,0|3,0,0]=4 1104 B8R1.7 CC(N)C1=CSC=C1 MCULE-6338347318 [0,1,0,0,0,0|3,0,0]=4 1105 B8R1.7 CC(N)C1=CSC=N1 MCULE-6074473330 [0,1,0,0,0,0|3,0,0]=4 1106 B8R1.7 CC(N)C1=CSC=N1 MCULE-9062965434 [0,1,0,0,0,0|3,0,0]=4 1107 B8R1.7 CC(N)C1=NC=CN1 MCULE-3768182665 [0,1,0,0,0,0|3,0,0]=4 1108 B8R1.7 CC(N)C1=NC=CN1 MCULE-6674089479 [0,1,0,0,0,0|3,0,0]=4 1109 B8R1.7 CC(N)C1=NC=CN1 MCULE-9791699578 [0,1,0,0,0,0|3,0,0]=4 1110 B8R1.7 CC(N)C1=NC=CO1 MCULE-8157367911 [0,1,0,0,0,0|2,0,0]=3 1111 B8R1.7 CC(N)C1=NC=CS1 MCULE-3700892459 [0,1,0,0,0,0|2,1,0]=4 1112 B8R1.7 CC(N)C1=NC=CS1 MCULE-5365734887 [0,1,0,0,0,0|2,1,0]=4 1113 B8R1.7 CC(N)C1=NC=CS1 MCULE-7520723695 [0,1,0,0,0,0|2,1,0]=4 1114 B8R1.7 CC(N)C1=NN=CO1 MCULE-3604682366 [0,1,0,0,0,0|3,0,0]=4 1115 B8R1.7 CC(N)C1=NN=CO1 MCULE-8332859295 [0,1,0,0,0,0|3,0,0]=4 1116 B8R1.7 CC(N)C1=NNC=C1 MCULE-5882194875 [0,1,0,0,0,0|3,0,0]=4 1117 B8R1.7 CC(N)C1=NOC=C1 MCULE-7730685562 [0,1,0,0,0,0|3,0,0]=4 1118 B8R1.7 CC(O)C1=CC=CN1 MCULE-9583986368 [0,1,0,0,0,0|1,0,0]=2 1119 B8R1.7 CC(O)C1=CC=CO1 MCULE-3593974083 [0,1,0,0,0,0|0,0,0]=1 1120 B8R1.7 CC(O)C1=CC=CO1 MCULE-8955975517 [0,1,0,0,0,0|0,0,0]=1 1121 B8R1.7 CC(O)C1=CC=CS1 MCULE-6993804037 [0,1,0,0,0,0|0,1,0]=2 1122 B8R1.7 CC(O)C1=CN=CS1 MCULE-7704279460 [0,1,0,0,0,0|1,1,0]=3 1123 B8R1.7 CC(O)C1=CNC=N1 MCULE-3453073104 [0,1,0,0,0,0|2,0,0]=3 1124 B8R1.7 CC(O)C1=CNC=N1 MCULE-5369561415 [0,1,0,0,0,0|2,0,0]=3 1125 B8R1.7 CC(O)C1=COC=C1 MCULE-1264904534 [0,1,0,0,0,0|2,0,0]=3 1126 B8R1.7 CC(O)C1=COC=N1 MCULE-8334488459 [0,1,0,0,0,0|2,0,0]=3 1127 B8R1.7 CC(O)C1=CSC=C1 MCULE-8518647927 [0,1,0,0,0,0|2,0,0]=3 1128 B8R1.7 CC(O)C1=CSC=N1 MCULE-2208523479 [0,1,0,0,0,0|2,0,0]=3 1129 B8R1.7 CC(O)C1=CSN=N1 MCULE-6745923811 [0,1,0,0,0,0|3,0,0]=4 1130 B8R1.7 CC(O)C1=NC=CN1 MCULE-1819132978 [0,1,0,0,0,0|2,0,0]=3 1131 B8R1.7 CC(O)C1=NC=CO1 MCULE-9616013898 [0,1,0,0,0,0|1,0,0]=2 1132 B8R1.7 CC(O)C1=NC=CS1 MCULE-3715149508 [0,1,0,0,0,0|1,1,0]=3 1133 B8R1.7 CC(O)C1=NN=CN1 MCULE-3345896044 [0,1,0,0,0,0|3,0,0]=4 1134 B8R1.7 CC(O)C1=NN=CN1 MCULE-7412006717 [0,1,0,0,0,0|3,0,0]=4 1135 B8R1.7 CC(O)C1=NNC=C1 MCULE-4788689959 [0,1,0,0,0,0|2,0,0]=3 1136 B8R1.7 CC(S)C1=CC=CO1 MCULE-2817020417 [0,1,0,0,0,0|0,1,0]=2 1137 B8R1.7 CC(S)C1=CC=CS1 MCULE-2758394087 [0,1,0,0,0,0|0,2,0]=3 1138 B8R1.7 CN(C)C1=CC=CS1 MCULE-3093284283 [0,1,0,0,0,0|2,1,0]=4 1139 B8R1.7 CN(C)C1=CC=NO1 MCULE-8707990656 [0,1,0,0,0,0|3,0,0]=4 1140 B8R1.7 C[C@@H](N)C1=CC=CN1 MCULE-6517913383 [0,1,0,0,0,0|2,0,0]=3 1141 B8R1.7 C[C@@H](N)C1=CC=CN1 MCULE-9646947542 [0,1,0,0,0,0|2,0,0]=3 1142 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-4442301514 [0,1,0,0,0,0|1,0,0]=2 1143 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-4568819554 [0,1,0,0,0,0|1,0,0]=2 1144 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-6015348077 [0,1,0,0,0,0|1,0,0]=2 1145 B8R1.7 C[C@@H](N)C1=CC=CO1 MCULE-8752089038 [0,1,0,0,0,0|1,0,0]=2 1146 B8R1.7 C[C@@H](N)C1=CC=CS1 MCULE-2057975535 [0,1,0,0,0,0|1,1,0]=3 1147 B8R1.7 C[C@@H](N)C1=CC=CS1 MCULE-3022119212 [0,1,0,0,0,0|1,1,0]=3 1148 B8R1.7 C[C@@H](N)C1=CC=CS1 MCULE-9062461492 [0,1,0,0,0,0|1,1,0]=3 1149 B8R1.7 C[C@@H](N)C1=CC=CS1 MCULE-9874191476 [0,1,0,0,0,0|1,1,0]=3 1150 B8R1.7 C[C@@H](N)C1=CN=CS1 MCULE-5654837022 [0,1,0,0,0,0|2,1,0]=4 1151 B8R1.7 C[C@@H](N)C1=CNC=N1 MCULE-8974670120 [0,1,0,0,0,0|3,0,0]=4 1152 B8R1.7 C[C@@H](N)C1=COC=C1 MCULE-4667909672 [0,1,0,0,0,0|3,0,0]=4 1153 B8R1.7 C[C@@H](N)C1=COC=C1 MCULE-9665160479 [0,1,0,0,0,0|3,0,0]=4 1154 B8R1.7 C[C@@H](N)C1=CSC=C1 MCULE-3763026810 [0,1,0,0,0,0|3,0,0]=4 1155 B8R1.7 C[C@@H](N)C1=CSC=C1 MCULE-3911025498 [0,1,0,0,0,0|3,0,0]=4 1156 B8R1.7 C[C@@H](N)C1=CSC=C1 MCULE-6335264199 [0,1,0,0,0,0|3,0,0]=4 1157 B8R1.7 C[C@@H](N)C1=CSC=N1 MCULE-2362035039 [0,1,0,0,0,0|3,0,0]=4 1158 B8R1.7 C[C@@H](N)C1=CSC=N1 MCULE-4645105201 [0,1,0,0,0,0|3,0,0]=4 1159 B8R1.7 C[C@@H](N)C1=NC=CN1 MCULE-3080493410 [0,1,0,0,0,0|3,0,0]=4 1160 B8R1.7 C[C@@H](N)C1=NC=CN1 MCULE-3262952234 [0,1,0,0,0,0|3,0,0]=4 1161 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-3916717926 [0,1,0,0,0,0|2,1,0]=4 1162 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-5557690558 [0,1,0,0,0,0|2,1,0]=4 1163 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-6892797210 [0,1,0,0,0,0|2,1,0]=4 1164 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-7995474281 [0,1,0,0,0,0|2,1,0]=4 1165 B8R1.7 C[C@@H](N)C1=NC=CS1 MCULE-9654724961 [0,1,0,0,0,0|2,1,0]=4 1166 B8R1.7 C[C@@H](N)C1=NNC=C1 MCULE-3403248025 [0,1,0,0,0,0|3,0,0]=4 1167 B8R1.7 C[C@@H](N)C1=NNC=C1 MCULE-8730047070 [0,1,0,0,0,0|3,0,0]=4 1168 B8R1.7 C[C@@H](O)C1=CC=CO1 MCULE-3160995315 [0,1,0,0,0,0|0,0,0]=1 1169 B8R1.7 C[C@@H](O)C1=CC=CO1 MCULE-5913992407 [0,1,0,0,0,0|0,0,0]=1 1170 B8R1.7 C[C@@H](O)C1=CC=CS1 MCULE-5544383027 [0,1,0,0,0,0|0,1,0]=2 1171 B8R1.7 C[C@@H](O)C1=CC=CS1 MCULE-9856187465 [0,1,0,0,0,0|0,1,0]=2 1172 B8R1.7 C[C@@H](O)C1=CC=NN1 MCULE-5804566468 [0,1,0,0,0,0|2,0,0]=3 1173 B8R1.7 C[C@@H](O)C1=CC=NN1 MCULE-9875058758 [0,1,0,0,0,0|2,0,0]=3 1174 B8R1.7 C[C@@H](O)C1=COC=C1 MCULE-4608193961 [0,1,0,0,0,0|2,0,0]=3 1175 B8R1.7 C[C@@H](O)C1=NC=CS1 MCULE-2414968374 [0,1,0,0,0,0|1,1,0]=3 1176 B8R1.7 C[C@@H](O)C1=NC=CS1 MCULE-9752995876 [0,1,0,0,0,0|1,1,0]=3 1177 B8R1.7 C[C@H](N)C1=CC=CN1 MCULE-4511056202 [0,1,0,0,0,0|2,0,0]=3 1178 B8R1.7 C[C@H](N)C1=CC=CN1 MCULE-9415899997 [0,1,0,0,0,0|2,0,0]=3 1179 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-5162994771 [0,1,0,0,0,0|1,0,0]=2 1180 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-6401390630 [0,1,0,0,0,0|1,0,0]=2 1181 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-7687564009 [0,1,0,0,0,0|1,0,0]=2 1182 B8R1.7 C[C@H](N)C1=CC=CO1 MCULE-9994511303 [0,1,0,0,0,0|1,0,0]=2 1183 B8R1.7 C[C@H](N)C1=CC=CS1 MCULE-2774136610 [0,1,0,0,0,0|1,1,0]=3 1184 B8R1.7 C[C@H](N)C1=CC=CS1 MCULE-4492652810 [0,1,0,0,0,0|1,1,0]=3 1185 B8R1.7 C[C@H](N)C1=CC=CS1 MCULE-4669425677 [0,1,0,0,0,0|1,1,0]=3 1186 B8R1.7 C[C@H](N)C1=CC=CS1 MCULE-8263342185 [0,1,0,0,0,0|1,1,0]=3 1187 B8R1.7 C[C@H](N)C1=CN=CN1 MCULE-1499607049 [0,1,0,0,0,0|3,0,0]=4 1188 B8R1.7 C[C@H](N)C1=CN=CO1 MCULE-1197673773 [0,1,0,0,0,0|2,0,0]=3 1189 B8R1.7 C[C@H](N)C1=CN=CO1 MCULE-3147084022 [0,1,0,0,0,0|2,0,0]=3 1190 B8R1.7 C[C@H](N)C1=CN=CS1 MCULE-8301453097 [0,1,0,0,0,0|2,1,0]=4 1191 B8R1.7 C[C@H](N)C1=CN=CS1 MCULE-9614541368 [0,1,0,0,0,0|2,1,0]=4 1192 B8R1.7 C[C@H](N)C1=COC=C1 MCULE-2593431156 [0,1,0,0,0,0|3,0,0]=4 1193 B8R1.7 C[C@H](N)C1=COC=C1 MCULE-3152227992 [0,1,0,0,0,0|3,0,0]=4 1194 B8R1.7 C[C@H](N)C1=COC=C1 MCULE-4342575617 [0,1,0,0,0,0|3,0,0]=4 1195 B8R1.7 C[C@H](N)C1=COC=C1 MCULE-9344986770 [0,1,0,0,0,0|3,0,0]=4 1196 B8R1.7 C[C@H](N)C1=CSC=C1 MCULE-1108936822 [0,1,0,0,0,0|3,0,0]=4 1197 B8R1.7 C[C@H](N)C1=CSC=C1 MCULE-5249073282 [0,1,0,0,0,0|3,0,0]=4 1198 B8R1.7 C[C@H](N)C1=CSC=C1 MCULE-5537445207 [0,1,0,0,0,0|3,0,0]=4 1199 B8R1.7 C[C@H](N)C1=CSC=C1 MCULE-5835446193 [0,1,0,0,0,0|3,0,0]=4 1200 B8R1.7 C[C@H](N)C1=CSC=N1 MCULE-5174803176 [0,1,0,0,0,0|3,0,0]=4 1201 B8R1.7 C[C@H](N)C1=CSC=N1 MCULE-5334899462 [0,1,0,0,0,0|3,0,0]=4 1202 B8R1.7 C[C@H](N)C1=NC=CN1 MCULE-3989096188 [0,1,0,0,0,0|3,0,0]=4 1203 B8R1.7 C[C@H](N)C1=NC=CN1 MCULE-7808387382 [0,1,0,0,0,0|3,0,0]=4 1204 B8R1.7 C[C@H](N)C1=NC=CN1 MCULE-8505814759 [0,1,0,0,0,0|3,0,0]=4 1205 B8R1.7 C[C@H](N)C1=NC=CN1 MCULE-9203350668 [0,1,0,0,0,0|3,0,0]=4 1206 B8R1.7 C[C@H](N)C1=NC=CS1 MCULE-4210464436 [0,1,0,0,0,0|2,1,0]=4 1207 B8R1.7 C[C@H](N)C1=NC=CS1 MCULE-6093901022 [0,1,0,0,0,0|2,1,0]=4 1208 B8R1.7 C[C@H](N)C1=NC=CS1 MCULE-7768285522 [0,1,0,0,0,0|2,1,0]=4 1209 B8R1.7 C[C@H](N)C1=NC=CS1 MCULE-9021065278 [0,1,0,0,0,0|2,1,0]=4 1210 B8R1.7 C[C@H](N)C1=NNC=C1 MCULE-2802852945 [0,1,0,0,0,0|3,0,0]=4 1211 B8R1.7 C[C@H](N)C1=NNC=C1 MCULE-5613003766 [0,1,0,0,0,0|3,0,0]=4 1212 B8R1.7 C[C@H](N)C1=NNC=C1 MCULE-9248286964 [0,1,0,0,0,0|3,0,0]=4 1213 B8R1.7 C[C@H](N)C1=NNC=C1 MCULE-9597707914 [0,1,0,0,0,0|3,0,0]=4 1214 B8R1.7 C[C@H](O)C1=CC=CO1 MCULE-4636464749 [0,1,0,0,0,0|0,0,0]=1 1215 B8R1.7 C[C@H](O)C1=CC=CS1 MCULE-2916392799 [0,1,0,0,0,0|0,1,0]=2 1216 B8R1.7 C[C@H](O)C1=CC=NN1 MCULE-6494962010 [0,1,0,0,0,0|2,0,0]=3 1217 B8R1.7 C[C@H](O)C1=CC=NN1 MCULE-8738673186 [0,1,0,0,0,0|2,0,0]=3 1218 B8R1.7 C[C@H](O)C1=COC=C1 MCULE-5652894022 [0,1,0,0,0,0|2,0,0]=3 1219 B8R1.7 C[C@H](O)C1=NC=CS1 MCULE-1212967930 [0,1,0,0,0,0|1,1,0]=3 1220 B8R1.7 C[C@H](O)C1=NC=CS1 MCULE-9014219646 [0,1,0,0,0,0|1,1,0]=3 1221 B8R1.7 ClC(Cl)C1=NC=CO1 MCULE-8597678781 [0,1,0,0,0,0|2,0,0]=3 1222 B8R1.7 FC(F)C1=CC=CS1 MCULE-1482943470 [0,1,0,0,0,0|1,1,0]=3 1223 B8R1.7 FC(F)C1=CN=CS1 MCULE-3068233785 [0,1,0,0,0,0|2,1,0]=4 1224 B8R1.7 FC(F)C1=CNC=N1 MCULE-2932049649 [0,1,0,0,0,0|3,0,0]=4 1225 B8R1.7 FC(F)C1=CSC=C1 MCULE-7160729303 [0,1,0,0,0,0|3,0,0]=4 1226 B8R1.7 FC(F)C1=NC=CN1 MCULE-9677326356 [0,1,0,0,0,0|3,0,0]=4 1227 B8R1.7 FC(F)C1=NC=CS1 MCULE-1451463195 [0,1,0,0,0,0|2,1,0]=4 1228 B8R1.7 FC(F)C1=NNC=C1 MCULE-2297041562 [0,1,0,0,0,0|3,0,0]=4 1229 B8R1.7 FC(F)N1C=CC=N1 MCULE-6795102270 [0,1,0,0,0,0|3,0,0]=4 1230 B8R1.7 N=C(N)C1=CC=CN1 MCULE-1690552485 [0,1,0,0,0,0|2,0,1]=4 1231 B8R1.7 N=C(N)C1=CC=CO1 MCULE-1625490857 [0,1,0,0,0,0|1,0,1]=3 1232 B8R1.7 N=C(N)C1=CC=CO1 MCULE-4196389982 [0,1,0,0,0,0|1,0,1]=3 1233 B8R1.7 N=C(N)C1=CC=CS1 MCULE-2117244697 [0,1,0,0,0,0|1,1,1]=4 1234 B8R1.7 N=C(N)C1=CC=CS1 MCULE-8501214099 [0,1,0,0,0,0|1,1,1]=4 1235 B8R1.7 NC(=O)C1=CC=CN1 MCULE-4462347914 [0,1,0,0,0,0|1,0,2]=4 1236 B8R1.7 NC(=O)C1=CC=CO1 MCULE-1387924424 [0,1,0,0,0,0|0,0,2]=3 1237 B8R1.7 NC(=O)C1=CC=CS1 MCULE-2370255848 [0,1,0,0,0,0|0,1,2]=4 1238 B8R1.7 NC(=O)C1=CC=NO1 MCULE-2775036033 [0,1,0,0,0,0|1,0,2]=4 1239 B8R1.7 NC(=O)C1=CN=CO1 MCULE-1434757715 [0,1,0,0,0,0|1,0,2]=4 1240 B8R1.7 NC(=O)C1=NC=CO1 MCULE-7785358369 [0,1,0,0,0,0|1,0,2]=4 1241 B8R1.7 NC(=S)C1=CC=CN1 MCULE-5113973441 [0,1,0,0,0,0|1,1,1]=4 1242 B8R1.7 NC(=S)C1=CC=CO1 MCULE-6700283664 [0,1,0,0,0,0|0,1,1]=3 1243 B8R1.7 NC(=S)C1=CC=CS1 MCULE-1444475363 [0,1,0,0,0,0|0,2,1]=4 1244 B8R1.7 NC(=S)C1=CC=NO1 MCULE-4213211362 [0,1,0,0,0,0|1,1,1]=4 1245 B8R1.7 NC(=S)C1=CN=CO1 MCULE-4700729710 [0,1,0,0,0,0|1,1,1]=4 1246 B8R1.7 NC(=S)C1=NC=CO1 MCULE-5557882267 [0,1,0,0,0,0|1,1,1]=4 1247 B8R1.7 O=C(Cl)C1=CC=CN1 MCULE-7026539670 [0,1,0,0,0,0|1,0,2]=4 1248 B8R1.7 O=C(Cl)C1=CC=CO1 MCULE-3397677348 [0,1,0,0,0,0|0,0,2]=3 1249 B8R1.7 O=C(Cl)C1=CC=CS1 MCULE-9726042533 [0,1,0,0,0,0|0,1,2]=4 1250 B8R1.7 O=C(Cl)C1=CC=NO1 MCULE-4921347925 [0,1,0,0,0,0|1,0,2]=4 1251 B8R1.7 O=C(Cl)C1=CN=CO1 MCULE-8427544910 [0,1,0,0,0,0|1,0,2]=4 1252 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [0,1,0,0,0,0|1,0,1]=3 1253 B8R1.7 O=C(O)C1=CC=CO1 MCULE-5132845727 [0,1,0,0,0,0|0,0,1]=2 1254 B8R1.7 O=C(O)C1=CC=CS1 MCULE-4461858345 [0,1,0,0,0,0|0,1,1]=3 1255 B8R1.7 O=C(O)C1=CC=C[Se]1 MCULE-9543908979 [0,1,0,0,0,0|0,1,1]=3 1256 B8R1.7 O=C(O)C1=CC=NO1 MCULE-4061809739 [0,1,0,0,0,0|1,0,1]=3 1257 B8R1.7 O=C(O)C1=CC=NS1 MCULE-2138423832 [0,1,0,0,0,0|1,1,1]=4 1258 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,1,0,0,0,0|0,0,3]=4 1259 B8R1.7 O=C(O)C1=CN=CO1 MCULE-9125638838 [0,1,0,0,0,0|1,0,1]=3 1260 B8R1.7 O=C(O)C1=CN=CS1 MCULE-2664666751 [0,1,0,0,0,0|1,1,1]=4 1261 B8R1.7 O=C(O)C1=CNC=C1 MCULE-2877375791 [0,1,0,0,0,0|2,0,1]=4 1262 B8R1.7 O=C(O)C1=CNC=N1 MCULE-2208605512 [0,1,0,0,0,0|2,0,1]=4 1263 B8R1.7 O=C(O)C1=COC=C1 MCULE-9346491380 [0,1,0,0,0,0|2,0,1]=4 1264 B8R1.7 O=C(O)C1=COC=N1 MCULE-6388820863 [0,1,0,0,0,0|2,0,1]=4 1265 B8R1.7 O=C(O)C1=COC=N1 MCULE-8404142877 [0,1,0,0,0,0|2,0,1]=4 1266 B8R1.7 O=C(O)C1=CSC=C1 MCULE-7934636767 [0,1,0,0,0,0|2,0,1]=4 1267 B8R1.7 O=C(O)C1=CSC=N1 MCULE-6783174927 [0,1,0,0,0,0|2,0,1]=4 1268 B8R1.7 O=C(O)C1=CSC=N1 MCULE-8933604600 [0,1,0,0,0,0|2,0,1]=4 1269 B8R1.7 O=C(O)C1=NC=CN1 MCULE-2287559596 [0,1,0,0,0,0|2,0,1]=4 1270 B8R1.7 O=C(O)C1=NC=CO1 MCULE-3527449990 [0,1,0,0,0,0|1,0,1]=3 1271 B8R1.7 O=C(O)C1=NC=CS1 MCULE-2777928670 [0,1,0,0,0,0|1,1,1]=4 1272 B8R1.7 O=C(O)C1=NNC=C1 MCULE-5843831241 [0,1,0,0,0,0|2,0,1]=4 1273 B8R1.7 O=C(O)C1=NOC=C1 MCULE-3455230166 [0,1,0,0,0,0|2,0,1]=4 1274 B8R1.7 O=C(O)C1=NSC=C1 MCULE-1466108511 [0,1,0,0,0,0|2,0,1]=4 1275 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,1,0,0,0,0|0,0,3]=4 1276 B8R1.7 O=C(O)N1C=CC=C1 MCULE-3945462651 [0,1,0,0,0,0|2,0,1]=4 1277 B8R1.7 O=C([O-])C1=CC=CO1 MCULE-6949656709 [0,1,0,0,0,0|0,0,2]=3 1278 B8R1.7 O=C([O-])C1=CC=CO1 MCULE-9985902220 [0,1,0,0,0,0|0,0,2]=3 1279 B8R1.7 O=C([O-])C1=CC=CS1 MCULE-8307938812 [0,1,0,0,0,0|0,1,2]=4 1280 B8R1.7 O=C([O-])C1=NC=CO1 MCULE-3161815399 [0,1,0,0,0,0|1,0,2]=4 1281 B8R1.7 O=N(=O)C1=CC=CN1 MCULE-9152482981 [0,1,0,0,0,0|2,0,1]=4 1282 B8R1.7 O=N(=O)C1=CC=CO1 MCULE-8301724234 [0,1,0,0,0,0|1,0,1]=3 1283 B8R1.7 O=N(=O)C1=CC=CS1 MCULE-7909916070 [0,1,0,0,0,0|1,1,1]=4 1284 B8R1.7 O=S(O)C1=CC=CS1 MCULE-6418817933 [0,1,0,0,0,0|1,1,0]=3 1285 B8R1.7 O=S([O-])C1=CC=CS1 MCULE-8018022425 [0,1,0,0,0,0|1,1,1]=4 1286 B8R1.7 OB(O)C1=CC=CN1 MCULE-6747454258 [0,1,0,0,0,0|2,0,0]=3 1287 B8R1.7 OB(O)C1=CC=CO1 MCULE-5416309694 [0,1,0,0,0,0|1,0,0]=2 1288 B8R1.7 OB(O)C1=CC=CS1 MCULE-2190020285 [0,1,0,0,0,0|1,1,0]=3 1289 B8R1.7 OB(O)C1=CC=C[Se]1 MCULE-3326989363 [0,1,0,0,0,0|1,1,0]=3 1290 B8R1.7 OB(O)C1=CC=NN1 MCULE-8403012396 [0,1,0,0,0,0|3,0,0]=4 1291 B8R1.7 OB(O)C1=CC=NO1 MCULE-2996083804 [0,1,0,0,0,0|2,0,0]=3 1292 B8R1.7 OB(O)C1=CC=NS1 MCULE-6813033825 [0,1,0,0,0,0|2,1,0]=4 1293 B8R1.7 OB(O)C1=CCCO1 MCULE-7551054803 [0,1,0,0,0,0|1,0,2]=4 1294 B8R1.7 OB(O)C1=CN=CO1 MCULE-1047709684 [0,1,0,0,0,0|2,0,0]=3 1295 B8R1.7 OB(O)C1=CN=CS1 MCULE-5572152359 [0,1,0,0,0,0|2,1,0]=4 1296 B8R1.7 OB(O)C1=CNC=C1 MCULE-5408174866 [0,1,0,0,0,0|3,0,0]=4 1297 B8R1.7 OB(O)C1=CNC=N1 MCULE-5901874336 [0,1,0,0,0,0|3,0,0]=4 1298 B8R1.7 OB(O)C1=COC=C1 MCULE-7052005904 [0,1,0,0,0,0|3,0,0]=4 1299 B8R1.7 OB(O)C1=COC=N1 MCULE-3329063317 [0,1,0,0,0,0|3,0,0]=4 1300 B8R1.7 OB(O)C1=CSC=C1 MCULE-6184290126 [0,1,0,0,0,0|3,0,0]=4 1301 B8R1.7 OB(O)C1=CSC=N1 MCULE-1115494582 [0,1,0,0,0,0|3,0,0]=4 1302 B8R1.7 OB(O)C1=NC=CN1 MCULE-1402018014 [0,1,0,0,0,0|3,0,0]=4 1303 B8R1.7 OB(O)C1=NC=CN1 MCULE-5603036661 [0,1,0,0,0,0|3,0,0]=4 1304 B8R1.7 OB(O)C1=NC=CS1 MCULE-9655560358 [0,1,0,0,0,0|2,1,0]=4 1305 B8R1.7 OB(O)C1=NNC=C1 MCULE-9919708608 [0,1,0,0,0,0|3,0,0]=4 1306 B8R1.7 OB(O)C1=NOC=C1 MCULE-3610823211 [0,1,0,0,0,0|3,0,0]=4 1307 B8R1.8 BrCCC1=CC=CO1 MCULE-3244967096 [0,1,0,0,0,0|1,0,0]=2 1308 B8R1.8 BrCCC1=CC=CS1 MCULE-6221475983 [0,1,0,0,0,0|1,1,0]=3 1309 B8R1.8 BrCCC1=CC=NS1 MCULE-5131503233 [0,1,0,0,0,0|2,1,0]=4 1310 B8R1.8 BrCCC1=CN=CN1 MCULE-1256767192 [0,1,0,0,0,0|3,0,0]=4 1311 B8R1.8 BrCCC1=CN=CN1 MCULE-7157585700 [0,1,0,0,0,0|3,0,0]=4 1312 B8R1.8 BrCCC1=CN=CS1 MCULE-4142679296 [0,1,0,0,0,0|2,1,0]=4 1313 B8R1.8 BrCCC1=COC=C1 MCULE-8695529260 [0,1,0,0,0,0|3,0,0]=4 1314 B8R1.8 BrCCC1=CSC=C1 MCULE-7062171772 [0,1,0,0,0,0|3,0,0]=4 1315 B8R1.8 BrCCN1C=CC=C1 MCULE-4585561894 [0,1,0,0,0,0|3,0,0]=4 1316 B8R1.8 BrCCN1C=CC=N1 MCULE-1333955023 [0,1,0,0,0,0|3,0,0]=4 1317 B8R1.8 BrCCN1C=CC=N1 MCULE-5777217062 [0,1,0,0,0,0|3,0,0]=4 1318 B8R1.8 C#CCC1=NC=CN1 MCULE-9092215285 [0,1,0,0,0,0|3,0,0]=4 1319 B8R1.8 C#CCN1C=CC=C1 MCULE-6797330460 [0,1,0,0,0,0|3,0,0]=4 1320 B8R1.8 C#CCN1C=CC=N1 MCULE-4447855077 [0,1,0,0,0,0|3,0,0]=4 1321 B8R1.8 C=CCC1=CC=CS1 MCULE-7817434134 [0,1,0,0,0,0|1,1,0]=3 1322 B8R1.8 C=CCN1C=CC=N1 MCULE-9111460937 [0,1,0,0,0,0|3,0,0]=4 1323 B8R1.8 CCCC1=CC=CO1 MCULE-9366942285 [0,1,0,0,0,0|1,0,0]=2 1324 B8R1.8 CCCC1=CC=CS1 MCULE-8817558072 [0,1,0,0,0,0|1,1,0]=3 1325 B8R1.8 CCCC1=CSC=C1 MCULE-9599727780 [0,1,0,0,0,0|3,0,0]=4 1326 B8R1.8 CCCC1=NC=CN1 MCULE-2272370098 [0,1,0,0,0,0|3,0,0]=4 1327 B8R1.8 CCCC1=NC=CS1 MCULE-8266390554 [0,1,0,0,0,0|2,1,0]=4 1328 B8R1.8 CCCC1=NN=CO1 MCULE-6422922100 [0,1,0,0,0,0|3,0,0]=4 1329 B8R1.8 CCCC1=NNC=C1 MCULE-4796035284 [0,1,0,0,0,0|3,0,0]=4 1330 B8R1.8 CCCN1C=CC=N1 MCULE-4547133017 [0,1,0,0,0,0|3,0,0]=4 1331 B8R1.8 CCNC1=CC=CS1 MCULE-7205367423 [0,1,0,0,0,0|1,1,0]=3 1332 B8R1.8 CCNC1=NC=CS1 MCULE-3514422223 [0,1,0,0,0,0|2,1,0]=4 1333 B8R1.8 CCNC1=NC=CS1 MCULE-8504511001 [0,1,0,0,0,0|2,1,0]=4 1334 B8R1.8 CCOC1=CC=CS1 MCULE-9738674536 [0,1,0,0,0,0|1,1,0]=3 1335 B8R1.8 CCOC1=CSC=C1 MCULE-5162522033 [0,1,0,0,0,0|3,0,0]=4 1336 B8R1.8 CCOC1=NC=CS1 MCULE-1742849167 [0,1,0,0,0,0|2,1,0]=4 1337 B8R1.8 CCOC1=NNC=C1 MCULE-4229986059 [0,1,0,0,0,0|3,0,0]=4 1338 B8R1.8 CCSC1=CC=CS1 MCULE-4395436034 [0,1,0,0,0,0|1,1,0]=3 1339 B8R1.8 CNCC1=CC=CN1 MCULE-7470399708 [0,1,0,0,0,0|2,0,0]=3 1340 B8R1.8 CNCC1=CC=CO1 MCULE-1710918294 [0,1,0,0,0,0|1,0,0]=2 1341 B8R1.8 CNCC1=CC=CO1 MCULE-5299298318 [0,1,0,0,0,0|1,0,0]=2 1342 B8R1.8 CNCC1=CC=CS1 MCULE-1755907438 [0,1,0,0,0,0|1,1,0]=3 1343 B8R1.8 CNCC1=CC=CS1 MCULE-4922516251 [0,1,0,0,0,0|1,1,0]=3 1344 B8R1.8 CNCC1=CC=NN1 MCULE-2034866245 [0,1,0,0,0,0|3,0,0]=4 1345 B8R1.8 CNCC1=CC=NN1 MCULE-2581203367 [0,1,0,0,0,0|3,0,0]=4 1346 B8R1.8 CNCC1=CC=NN1 MCULE-8062395094 [0,1,0,0,0,0|3,0,0]=4 1347 B8R1.8 CNCC1=CC=NO1 MCULE-4000837015 [0,1,0,0,0,0|2,0,0]=3 1348 B8R1.8 CNCC1=CC=NO1 MCULE-5783870927 [0,1,0,0,0,0|2,0,0]=3 1349 B8R1.8 CNCC1=CC=NS1 MCULE-1538853444 [0,1,0,0,0,0|2,1,0]=4 1350 B8R1.8 CNCC1=CN=CN1 MCULE-4580262423 [0,1,0,0,0,0|3,0,0]=4 1351 B8R1.8 CNCC1=CN=CN1 MCULE-7871522278 [0,1,0,0,0,0|3,0,0]=4 1352 B8R1.8 CNCC1=CN=CS1 MCULE-1674238492 [0,1,0,0,0,0|2,1,0]=4 1353 B8R1.8 CNCC1=CN=CS1 MCULE-2411683210 [0,1,0,0,0,0|2,1,0]=4 1354 B8R1.8 CNCC1=CN=CS1 MCULE-4707189248 [0,1,0,0,0,0|2,1,0]=4 1355 B8R1.8 CNCC1=COC=C1 MCULE-3849875561 [0,1,0,0,0,0|3,0,0]=4 1356 B8R1.8 CNCC1=COC=N1 MCULE-2892749971 [0,1,0,0,0,0|3,0,0]=4 1357 B8R1.8 CNCC1=CSC=C1 MCULE-4022310658 [0,1,0,0,0,0|3,0,0]=4 1358 B8R1.8 CNCC1=CSC=C1 MCULE-8713116313 [0,1,0,0,0,0|3,0,0]=4 1359 B8R1.8 CNCC1=CSC=N1 MCULE-1446638801 [0,1,0,0,0,0|3,0,0]=4 1360 B8R1.8 CNCC1=CSC=N1 MCULE-1746298712 [0,1,0,0,0,0|3,0,0]=4 1361 B8R1.8 CNCC1=CSC=N1 MCULE-2696908257 [0,1,0,0,0,0|3,0,0]=4 1362 B8R1.8 CNCC1=NC=CN1 MCULE-6330072291 [0,1,0,0,0,0|3,0,0]=4 1363 B8R1.8 CNCC1=NC=CN1 MCULE-6774955165 [0,1,0,0,0,0|3,0,0]=4 1364 B8R1.8 CNCC1=NC=CO1 MCULE-8262188358 [0,1,0,0,0,0|2,0,0]=3 1365 B8R1.8 CNCC1=NC=CS1 MCULE-4909505988 [0,1,0,0,0,0|2,1,0]=4 1366 B8R1.8 CNCC1=NC=CS1 MCULE-7980477759 [0,1,0,0,0,0|2,1,0]=4 1367 B8R1.8 CNCC1=NC=CS1 MCULE-9494239390 [0,1,0,0,0,0|2,1,0]=4 1368 B8R1.8 CNCC1=NOC=C1 MCULE-2913633018 [0,1,0,0,0,0|3,0,0]=4 1369 B8R1.8 CNCC1=NOC=C1 MCULE-4161046149 [0,1,0,0,0,0|3,0,0]=4 1370 B8R1.8 COCC1=CC=CO1 MCULE-8030118388 [0,1,0,0,0,0|0,0,0]=1 1371 B8R1.8 COCC1=CC=CS1 MCULE-8617166522 [0,1,0,0,0,0|0,1,0]=2 1372 B8R1.8 COCC1=CNC=N1 MCULE-6400642919 [0,1,0,0,0,0|2,0,0]=3 1373 B8R1.8 COCC1=CNN=C1 MCULE-4969426420 [0,1,0,0,0,0|3,0,0]=4 1374 B8R1.8 COCC1=NC=CN1 MCULE-7695620417 [0,1,0,0,0,0|2,0,0]=3 1375 B8R1.8 COCC1=NC=NN1 MCULE-9602850639 [0,1,0,0,0,0|3,0,0]=4 1376 B8R1.8 COCC1=NNC=C1 MCULE-3015431837 [0,1,0,0,0,0|2,0,0]=3 1377 B8R1.8 COCN1C=CC=C1 MCULE-4518526619 [0,1,0,0,0,0|2,0,0]=3 1378 B8R1.8 COCN1C=CC=N1 MCULE-6076924643 [0,1,0,0,0,0|2,0,0]=3 1379 B8R1.8 COCN1C=CN=C1 MCULE-2519995636 [0,1,0,0,0,0|3,0,0]=4 1380 B8R1.8 CSCC1=CC=CO1 MCULE-5733837840 [0,1,0,0,0,0|0,1,0]=2 1381 B8R1.8 ClCCC1=CC=CS1 MCULE-5586664886 [0,1,0,0,0,0|1,1,0]=3 1382 B8R1.8 ClCCC1=CN=CS1 MCULE-8772787703 [0,1,0,0,0,0|2,1,0]=4 1383 B8R1.8 ClCCC1=CNC=N1 MCULE-7796146281 [0,1,0,0,0,0|3,0,0]=4 1384 B8R1.8 ClCCC1=CNC=N1 MCULE-9981911193 [0,1,0,0,0,0|3,0,0]=4 1385 B8R1.8 ClCCC1=CSC=N1 MCULE-6836176236 [0,1,0,0,0,0|3,0,0]=4 1386 B8R1.8 ClCCC1=NC=CN1 MCULE-1294027176 [0,1,0,0,0,0|3,0,0]=4 1387 B8R1.8 ClCCC1=NC=CN1 MCULE-9494142166 [0,1,0,0,0,0|3,0,0]=4 1388 B8R1.8 ClCCN1C=CC=C1 MCULE-1338536685 [0,1,0,0,0,0|3,0,0]=4 1389 B8R1.8 ClCCN1C=CC=N1 MCULE-8682546249 [0,1,0,0,0,0|3,0,0]=4 1390 B8R1.8 FCCN1C=CC=N1 MCULE-5375390818 [0,1,0,0,0,0|3,0,0]=4 1391 B8R1.8 N#CCC1=CC=CN1 MCULE-3557357757 [0,1,0,0,0,0|2,0,0]=3 1392 B8R1.8 N#CCC1=CC=CO1 MCULE-3440874191 [0,1,0,0,0,0|1,0,0]=2 1393 B8R1.8 N#CCC1=CC=CS1 MCULE-7118861488 [0,1,0,0,0,0|1,1,0]=3 1394 B8R1.8 N#CCC1=CC=NN1 MCULE-3533654964 [0,1,0,0,0,0|3,0,0]=4 1395 B8R1.8 N#CCC1=CC=NO1 MCULE-2435236572 [0,1,0,0,0,0|2,0,0]=3 1396 B8R1.8 N#CCC1=CN=CN1 MCULE-2918508292 [0,1,0,0,0,0|3,0,0]=4 1397 B8R1.8 N#CCC1=CN=CO1 MCULE-5401041127 [0,1,0,0,0,0|2,0,0]=3 1398 B8R1.8 N#CCC1=CN=CS1 MCULE-3345424022 [0,1,0,0,0,0|2,1,0]=4 1399 B8R1.8 N#CCC1=CSC=C1 MCULE-8329414876 [0,1,0,0,0,0|3,0,0]=4 1400 B8R1.8 N#CCC1=CSC=N1 MCULE-1035803057 [0,1,0,0,0,0|3,0,0]=4 1401 B8R1.8 N#CCC1=NC=CN1 MCULE-7107576682 [0,1,0,0,0,0|3,0,0]=4 1402 B8R1.8 N#CCC1=NC=CS1 MCULE-3312816945 [0,1,0,0,0,0|2,1,0]=4 1403 B8R1.8 N#CCC1=NOC=C1 MCULE-1892299289 [0,1,0,0,0,0|3,0,0]=4 1404 B8R1.8 N#CCC1=NSC=C1 MCULE-1544588981 [0,1,0,0,0,0|3,0,0]=4 1405 B8R1.8 N#CCN1C=CC=N1 MCULE-6139735602 [0,1,0,0,0,0|3,0,0]=4 1406 B8R1.8 NCCC1=CC=CN1 MCULE-3690367329 [0,1,0,0,0,0|2,0,0]=3 1407 B8R1.8 NCCC1=CC=CN1 MCULE-4479516250 [0,1,0,0,0,0|2,0,0]=3 1408 B8R1.8 NCCC1=CC=CN1 MCULE-5929900944 [0,1,0,0,0,0|2,0,0]=3 1409 B8R1.8 NCCC1=CC=CO1 MCULE-1993487866 [0,1,0,0,0,0|1,0,0]=2 1410 B8R1.8 NCCC1=CC=CO1 MCULE-7825208047 [0,1,0,0,0,0|1,0,0]=2 1411 B8R1.8 NCCC1=CC=CS1 MCULE-8334990165 [0,1,0,0,0,0|1,1,0]=3 1412 B8R1.8 NCCC1=CC=CS1 MCULE-9433274666 [0,1,0,0,0,0|1,1,0]=3 1413 B8R1.8 NCCC1=CC=NO1 MCULE-8722721562 [0,1,0,0,0,0|2,0,0]=3 1414 B8R1.8 NCCC1=CC=NO1 MCULE-8813959532 [0,1,0,0,0,0|2,0,0]=3 1415 B8R1.8 NCCC1=CC=NS1 MCULE-4140715039 [0,1,0,0,0,0|2,1,0]=4 1416 B8R1.8 NCCC1=CC=NS1 MCULE-5746465272 [0,1,0,0,0,0|2,1,0]=4 1417 B8R1.8 NCCC1=CC=NS1 MCULE-7620187149 [0,1,0,0,0,0|2,1,0]=4 1418 B8R1.8 NCCC1=CN=CS1 MCULE-2187464608 [0,1,0,0,0,0|2,1,0]=4 1419 B8R1.8 NCCC1=CN=CS1 MCULE-6634953984 [0,1,0,0,0,0|2,1,0]=4 1420 B8R1.8 NCCC1=CNC=C1 MCULE-4699423960 [0,1,0,0,0,0|3,0,0]=4 1421 B8R1.8 NCCC1=CNC=C1 MCULE-5614415672 [0,1,0,0,0,0|3,0,0]=4 1422 B8R1.8 NCCC1=CNC=N1 MCULE-1177653177 [0,1,0,0,0,0|3,0,0]=4 1423 B8R1.8 NCCC1=CNC=N1 MCULE-2213201369 [0,1,0,0,0,0|3,0,0]=4 1424 B8R1.8 NCCC1=CNC=N1 MCULE-4970362785 [0,1,0,0,0,0|3,0,0]=4 1425 B8R1.8 NCCC1=CNC=N1 MCULE-5576180655 [0,1,0,0,0,0|3,0,0]=4 1426 B8R1.8 NCCC1=CNC=N1 MCULE-7793585534 [0,1,0,0,0,0|3,0,0]=4 1427 B8R1.8 NCCC1=COC=C1 MCULE-5963433678 [0,1,0,0,0,0|3,0,0]=4 1428 B8R1.8 NCCC1=COC=C1 MCULE-8518261441 [0,1,0,0,0,0|3,0,0]=4 1429 B8R1.8 NCCC1=COC=N1 MCULE-4705539886 [0,1,0,0,0,0|3,0,0]=4 1430 B8R1.8 NCCC1=COC=N1 MCULE-6872992752 [0,1,0,0,0,0|3,0,0]=4 1431 B8R1.8 NCCC1=CSC=C1 MCULE-3100494979 [0,1,0,0,0,0|3,0,0]=4 1432 B8R1.8 NCCC1=CSC=C1 MCULE-5409540983 [0,1,0,0,0,0|3,0,0]=4 1433 B8R1.8 NCCC1=CSC=N1 MCULE-3037254132 [0,1,0,0,0,0|3,0,0]=4 1434 B8R1.8 NCCC1=CSC=N1 MCULE-3656469758 [0,1,0,0,0,0|3,0,0]=4 1435 B8R1.8 NCCC1=CSC=N1 MCULE-9638605924 [0,1,0,0,0,0|3,0,0]=4 1436 B8R1.8 NCCC1=NC=CN1 MCULE-5602742733 [0,1,0,0,0,0|3,0,0]=4 1437 B8R1.8 NCCC1=NC=CN1 MCULE-6004984354 [0,1,0,0,0,0|3,0,0]=4 1438 B8R1.8 NCCC1=NC=CS1 MCULE-1885502417 [0,1,0,0,0,0|2,1,0]=4 1439 B8R1.8 NCCC1=NC=CS1 MCULE-2632865468 [0,1,0,0,0,0|2,1,0]=4 1440 B8R1.8 NCCC1=NC=CS1 MCULE-6577397437 [0,1,0,0,0,0|2,1,0]=4 1441 B8R1.8 NCCC1=NC=NO1 MCULE-3468743174 [0,1,0,0,0,0|3,0,0]=4 1442 B8R1.8 NCCC1=NC=NO1 MCULE-5835747565 [0,1,0,0,0,0|3,0,0]=4 1443 B8R1.8 NCCC1=NNC=C1 MCULE-6411210232 [0,1,0,0,0,0|3,0,0]=4 1444 B8R1.8 NCCC1=NNC=C1 MCULE-6510739570 [0,1,0,0,0,0|3,0,0]=4 1445 B8R1.8 NCCC1=NOC=C1 MCULE-6409261003 [0,1,0,0,0,0|3,0,0]=4 1446 B8R1.8 NCCC1=NOC=C1 MCULE-9499021127 [0,1,0,0,0,0|3,0,0]=4 1447 B8R1.8 NCCN1C=CC=C1 MCULE-4970298826 [0,1,0,0,0,0|3,0,0]=4 1448 B8R1.8 NCCN1C=CC=C1 MCULE-7002783940 [0,1,0,0,0,0|3,0,0]=4 1449 B8R1.8 NCCN1C=CC=N1 MCULE-1125929585 [0,1,0,0,0,0|3,0,0]=4 1450 B8R1.8 NCCN1C=CC=N1 MCULE-2961257009 [0,1,0,0,0,0|3,0,0]=4 1451 B8R1.8 NCCN1C=CC=N1 MCULE-3208800164 [0,1,0,0,0,0|3,0,0]=4 1452 B8R1.8 NCCN1C=CC=N1 MCULE-7114771910 [0,1,0,0,0,0|3,0,0]=4 1453 B8R1.8 NN=CC1=CC=CS1 MCULE-2636740023 [0,1,0,0,0,0|1,1,1]=4 1454 B8R1.8 NNCC1=CC=CS1 MCULE-4166424577 [0,1,0,0,0,0|1,1,0]=3 1455 B8R1.8 NNCC1=CC=CS1 MCULE-4771524222 [0,1,0,0,0,0|1,1,0]=3 1456 B8R1.8 NNCC1=CSC=C1 MCULE-3225141982 [0,1,0,0,0,0|3,0,0]=4 1457 B8R1.8 NOCC1=CSC=C1 MCULE-4830657945 [0,1,0,0,0,0|2,0,0]=3 1458 B8R1.8 NOCC1=CSC=C1 MCULE-9909630983 [0,1,0,0,0,0|2,0,0]=3 1459 B8R1.8 NOCC1=NNC=N1 MCULE-9370533005 [0,1,0,0,0,0|3,0,0]=4 1460 B8R1.8 O/N=C/C1=CC=CN1 MCULE-1244959973 [0,1,0,0,0,0|1,0,1]=3 1461 B8R1.8 O/N=C/C1=CC=CO1 MCULE-4188924462 [0,1,0,0,0,0|0,0,1]=2 1462 B8R1.8 O/N=C/C1=CC=CS1 MCULE-1951571090 [0,1,0,0,0,0|0,1,1]=3 1463 B8R1.8 O/N=C/C1=CSC=C1 MCULE-2882135618 [0,1,0,0,0,0|2,0,1]=4 1464 B8R1.8 O/N=C/C1=NC=CN1 MCULE-1380011436 [0,1,0,0,0,0|2,0,1]=4 1465 B8R1.8 O/N=C/C1=NC=CS1 MCULE-6085999470 [0,1,0,0,0,0|1,1,1]=4 1466 B8R1.8 O=C=NC1=CC=CS1 MCULE-4788549040 [0,1,0,0,0,0|0,1,2]=4 1467 B8R1.8 O=CCC1=CC=CS1 MCULE-8803167927 [0,1,0,0,0,0|0,1,1]=3 1468 B8R1.8 O=CCC1=NC=CS1 MCULE-9346872492 [0,1,0,0,0,0|1,1,1]=4 1469 B8R1.8 O=CCN1C=CC=N1 MCULE-2228579716 [0,1,0,0,0,0|2,0,1]=4 1470 B8R1.8 O=CCN1C=CC=N1 MCULE-9821118264 [0,1,0,0,0,0|2,0,1]=4 1471 B8R1.8 OCCC1=CC=CN1 MCULE-2576699411 [0,1,0,0,0,0|1,0,0]=2 1472 B8R1.8 OCCC1=CC=CO1 MCULE-1182357404 [0,1,0,0,0,0|0,0,0]=1 1473 B8R1.8 OCCC1=CC=CS1 MCULE-2181055354 [0,1,0,0,0,0|0,1,0]=2 1474 B8R1.8 OCCC1=CC=NS1 MCULE-7573985231 [0,1,0,0,0,0|1,1,0]=3 1475 B8R1.8 OCCC1=CN=CN1 MCULE-8314063877 [0,1,0,0,0,0|2,0,0]=3 1476 B8R1.8 OCCC1=CN=CS1 MCULE-8785513367 [0,1,0,0,0,0|1,1,0]=3 1477 B8R1.8 OCCC1=CNC=N1 MCULE-7161422691 [0,1,0,0,0,0|2,0,0]=3 1478 B8R1.8 OCCC1=CNN=C1 MCULE-3556623955 [0,1,0,0,0,0|3,0,0]=4 1479 B8R1.8 OCCC1=CNN=C1 MCULE-5507251951 [0,1,0,0,0,0|3,0,0]=4 1480 B8R1.8 OCCC1=CNN=N1 MCULE-1190869996 [0,1,0,0,0,0|3,0,0]=4 1481 B8R1.8 OCCC1=CNN=N1 MCULE-1877062017 [0,1,0,0,0,0|3,0,0]=4 1482 B8R1.8 OCCC1=COC=C1 MCULE-8553274962 [0,1,0,0,0,0|2,0,0]=3 1483 B8R1.8 OCCC1=CON=C1 MCULE-2787695851 [0,1,0,0,0,0|3,0,0]=4 1484 B8R1.8 OCCC1=CSC=C1 MCULE-8375296269 [0,1,0,0,0,0|2,0,0]=3 1485 B8R1.8 OCCC1=CSC=N1 MCULE-8144940542 [0,1,0,0,0,0|2,0,0]=3 1486 B8R1.8 OCCC1=NC=CN1 MCULE-7212809873 [0,1,0,0,0,0|2,0,0]=3 1487 B8R1.8 OCCC1=NC=CS1 MCULE-8171137115 [0,1,0,0,0,0|1,1,0]=3 1488 B8R1.8 OCCC1=NNC=C1 MCULE-6475774899 [0,1,0,0,0,0|2,0,0]=3 1489 B8R1.8 OCCC1=NOC=N1 MCULE-2341655275 [0,1,0,0,0,0|3,0,0]=4 1490 B8R1.8 OCCN1C=CC=C1 MCULE-9939753113 [0,1,0,0,0,0|2,0,0]=3 1491 B8R1.8 OCCN1C=CC=N1 MCULE-9484586039 [0,1,0,0,0,0|2,0,0]=3 1492 B8R1.8 OCCN1C=CN=C1 MCULE-1414262499 [0,1,0,0,0,0|3,0,0]=4 1493 B8R1.8 OCCN1C=CN=N1 MCULE-9391423669 [0,1,0,0,0,0|3,0,0]=4 1494 B8R1.8 OCCN1C=NC=N1 MCULE-8150952560 [0,1,0,0,0,0|3,0,0]=4 1495 B8R1.8 OCCN1N=CC=N1 MCULE-5621606690 [0,1,0,0,0,0|3,0,0]=4 1496 B8R1.8 OCC[N+]1=CSC=C1 MCULE-3529242545 [0,1,0,0,0,0|3,0,0]=4 1497 B8R1.8 OCC[N+]1=CSC=C1 MCULE-5089711355 [0,1,0,0,0,0|3,0,0]=4 1498 B8R1.8 ON=CC1=CC=CN1 MCULE-8184966032 [0,1,0,0,0,0|1,0,1]=3 1499 B8R1.8 ON=CC1=CC=CO1 MCULE-3931806527 [0,1,0,0,0,0|0,0,1]=2 1500 B8R1.8 ON=CC1=CC=CS1 MCULE-4062933059 [0,1,0,0,0,0|0,1,1]=3 1501 B8R1.8 ON=CC1=COC=C1 MCULE-8914608943 [0,1,0,0,0,0|2,0,1]=4 1502 B8R1.8 ON=CC1=CSC=C1 MCULE-6550369660 [0,1,0,0,0,0|2,0,1]=4 1503 B8R1.8 ON=CC1=NC=CN1 MCULE-2984798670 [0,1,0,0,0,0|2,0,1]=4 1504 B8R1.8 ONC=C1C=CC=N1 MCULE-9281053674 [0,1,0,0,0,0|1,0,1]=3 1505 B8R1.8 ONCC1=CC=CO1 MCULE-1470863428 [0,1,0,0,0,0|0,0,0]=1 1506 B8R1.8 SCCC1=CN=CN1 MCULE-4625719051 [0,1,0,0,0,0|2,1,0]=4 1507 B8R1.8 SCCC1=CN=CN1 MCULE-5283921398 [0,1,0,0,0,0|2,1,0]=4 1508 B8R1.8 SCCN1C=CC=N1 MCULE-1442721387 [0,1,0,0,0,0|2,1,0]=4 1509 B8R1.11 BrCC1=C(C=NS1)Br MCULE-5500782827 [0,1,0,0,0,0|2,1,0]=4 1510 B8R1.11 BrCC1=C(SC=C1)Br MCULE-9300820867 [0,1,0,0,0,0|3,0,0]=4 1511 B8R1.11 BrCC1=CSC=C1Br MCULE-4986902091 [0,1,0,0,0,0|3,0,0]=4 1512 B8R1.11 C#CC1=C(C=CS1)Br MCULE-7694526857 [0,1,0,0,0,0|1,1,1]=4 1513 B8R1.11 C#CC1=C(C=CS1)C MCULE-5460311965 [0,1,0,0,0,0|1,1,1]=4 1514 B8R1.11 C=CC1=CC=CN1C MCULE-1492192424 [0,1,0,0,0,0|2,0,1]=4 1515 B8R1.11 CC1=C(C=CO1)CN MCULE-5251282165 [0,1,0,0,0,0|3,0,0]=4 1516 B8R1.11 CC1=C(C=CO1)CO MCULE-7321265649 [0,1,0,0,0,0|2,0,0]=3 1517 B8R1.11 CC1=C(C=NN1)CO MCULE-3686101220 [0,1,0,0,0,0|3,0,0]=4 1518 B8R1.11 CC1=C(C=NO1)CO MCULE-4541715943 [0,1,0,0,0,0|3,0,0]=4 1519 B8R1.11 CC1=C(N=CN1)CBr MCULE-1489460179 [0,1,0,0,0,0|3,0,0]=4 1520 B8R1.11 CC1=C(N=CN1)CBr MCULE-4160888967 [0,1,0,0,0,0|3,0,0]=4 1521 B8R1.11 CC1=C(N=CN1)CN MCULE-5971072257 [0,1,0,0,0,0|3,0,0]=4 1522 B8R1.11 CC1=C(N=CN1)CN MCULE-8188913844 [0,1,0,0,0,0|3,0,0]=4 1523 B8R1.11 CC1=C(N=CN1)CO MCULE-7467912332 [0,1,0,0,0,0|2,0,0]=3 1524 B8R1.11 CC1=C(N=CN1)CO MCULE-9125658618 [0,1,0,0,0,0|2,0,0]=3 1525 B8R1.11 CC1=C(N=CO1)CCl MCULE-6096725964 [0,1,0,0,0,0|3,0,0]=4 1526 B8R1.11 CC1=C(N=CO1)CN MCULE-8331458097 [0,1,0,0,0,0|3,0,0]=4 1527 B8R1.11 CC1=C(N=CO1)CN MCULE-8561223015 [0,1,0,0,0,0|3,0,0]=4 1528 B8R1.11 CC1=C(N=CO1)CO MCULE-8020948211 [0,1,0,0,0,0|2,0,0]=3 1529 B8R1.11 CC1=C(N=CS1)CCl MCULE-3214164077 [0,1,0,0,0,0|3,0,0]=4 1530 B8R1.11 CC1=C(N=CS1)CCl MCULE-3245244162 [0,1,0,0,0,0|3,0,0]=4 1531 B8R1.11 CC1=C(N=CS1)CO MCULE-2982672518 [0,1,0,0,0,0|2,0,0]=3 1532 B8R1.11 CC1=C(N=CS1)CO MCULE-4568550982 [0,1,0,0,0,0|2,0,0]=3 1533 B8R1.11 CC1=C(N=NS1)CO MCULE-5836386424 [0,1,0,0,0,0|3,0,0]=4 1534 B8R1.11 CC1=C(NC=C1)C=O MCULE-5439756968 [0,1,0,0,0,0|1,0,2]=4 1535 B8R1.11 CC1=C(NC=N1)CCl MCULE-3368094983 [0,1,0,0,0,0|3,0,0]=4 1536 B8R1.11 CC1=C(NC=N1)CCl MCULE-8407139833 [0,1,0,0,0,0|3,0,0]=4 1537 B8R1.11 CC1=C(NC=N1)CN MCULE-9771052889 [0,1,0,0,0,0|3,0,0]=4 1538 B8R1.11 CC1=C(NN=C1)CCl MCULE-7764036891 [0,1,0,0,0,0|3,0,0]=4 1539 B8R1.11 CC1=C(NN=C1)CN MCULE-3627124579 [0,1,0,0,0,0|3,0,0]=4 1540 B8R1.11 CC1=C(NN=C1)CN MCULE-8727611338 [0,1,0,0,0,0|3,0,0]=4 1541 B8R1.11 CC1=C(OC=C1)C=O MCULE-1514039689 [0,1,0,0,0,0|0,0,2]=3 1542 B8R1.11 CC1=C(OC=C1)CN MCULE-2352949047 [0,1,0,0,0,0|1,0,0]=2 1543 B8R1.11 CC1=C(OC=C1)CO MCULE-9104455772 [0,1,0,0,0,0|0,0,0]=1 1544 B8R1.11 CC1=C(OC=C1)CS MCULE-7578747384 [0,1,0,0,0,0|0,1,0]=2 1545 B8R1.11 CC1=C(OC=N1)C#N MCULE-1483881543 [0,1,0,0,0,0|2,0,1]=4 1546 B8R1.11 CC1=C(OC=N1)C=O MCULE-7950633787 [0,1,0,0,0,0|1,0,2]=4 1547 B8R1.11 CC1=C(OC=N1)CCl MCULE-4144361759 [0,1,0,0,0,0|2,0,0]=3 1548 B8R1.11 CC1=C(OC=N1)CCl MCULE-8896570243 [0,1,0,0,0,0|2,0,0]=3 1549 B8R1.11 CC1=C(OC=N1)CN MCULE-5667101174 [0,1,0,0,0,0|2,0,0]=3 1550 B8R1.11 CC1=C(OC=N1)CN MCULE-9154034110 [0,1,0,0,0,0|2,0,0]=3 1551 B8R1.11 CC1=C(OC=N1)CO MCULE-8507417332 [0,1,0,0,0,0|1,0,0]=2 1552 B8R1.11 CC1=C(ON=C1)CBr MCULE-6145834992 [0,1,0,0,0,0|2,0,0]=3 1553 B8R1.11 CC1=C(ON=C1)CCl MCULE-2681285904 [0,1,0,0,0,0|2,0,0]=3 1554 B8R1.11 CC1=C(ON=C1)CO MCULE-9009924402 [0,1,0,0,0,0|1,0,0]=2 1555 B8R1.11 CC1=C(SC=C1)C#N MCULE-4382080949 [0,1,0,0,0,0|1,1,1]=4 1556 B8R1.11 CC1=C(SC=C1)C=O MCULE-6154045034 [0,1,0,0,0,0|0,1,2]=4 1557 B8R1.11 CC1=C(SC=C1)CBr MCULE-2931813517 [0,1,0,0,0,0|1,1,0]=3 1558 B8R1.11 CC1=C(SC=C1)CCl MCULE-4483197056 [0,1,0,0,0,0|1,1,0]=3 1559 B8R1.11 CC1=C(SC=C1)CN MCULE-1604454057 [0,1,0,0,0,0|1,1,0]=3 1560 B8R1.11 CC1=C(SC=C1)CN MCULE-2693055075 [0,1,0,0,0,0|1,1,0]=3 1561 B8R1.11 CC1=C(SC=C1)CO MCULE-6139465194 [0,1,0,0,0,0|0,1,0]=2 1562 B8R1.11 CC1=C(SC=N1)CBr MCULE-4798729225 [0,1,0,0,0,0|2,1,0]=4 1563 B8R1.11 CC1=C(SC=N1)CBr MCULE-8676977457 [0,1,0,0,0,0|2,1,0]=4 1564 B8R1.11 CC1=C(SC=N1)CCl MCULE-3210671264 [0,1,0,0,0,0|2,1,0]=4 1565 B8R1.11 CC1=C(SC=N1)CCl MCULE-8775106373 [0,1,0,0,0,0|2,1,0]=4 1566 B8R1.11 CC1=C(SC=N1)CN MCULE-1930242587 [0,1,0,0,0,0|2,1,0]=4 1567 B8R1.11 CC1=C(SC=N1)CN MCULE-5944671149 [0,1,0,0,0,0|2,1,0]=4 1568 B8R1.11 CC1=C(SC=N1)CO MCULE-1920274475 [0,1,0,0,0,0|1,1,0]=3 1569 B8R1.11 CC1=C(SN=N1)CO MCULE-8484074833 [0,1,0,0,0,0|2,1,0]=4 1570 B8R1.11 CC1=CNN=C1CCl MCULE-3577505970 [0,1,0,0,0,0|3,0,0]=4 1571 B8R1.11 CC1=CNN=C1CO MCULE-7216504383 [0,1,0,0,0,0|2,0,0]=3 1572 B8R1.11 CC1=CON=C1CBr MCULE-7344487355 [0,1,0,0,0,0|3,0,0]=4 1573 B8R1.11 CC1=CON=C1CCl MCULE-5871325143 [0,1,0,0,0,0|3,0,0]=4 1574 B8R1.11 CC1=CON=C1CN MCULE-1208903290 [0,1,0,0,0,0|3,0,0]=4 1575 B8R1.11 CC1=CON=C1CO MCULE-5450435187 [0,1,0,0,0,0|2,0,0]=3 1576 B8R1.11 CC1=CSC=C1CBr MCULE-5591024603 [0,1,0,0,0,0|3,0,0]=4 1577 B8R1.11 CC1=CSC=C1CN MCULE-2366679132 [0,1,0,0,0,0|3,0,0]=4 1578 B8R1.11 CC1=CSC=C1CO MCULE-2002799846 [0,1,0,0,0,0|2,0,0]=3 1579 B8R1.11 CC1=NOC=C1CO MCULE-9392549761 [0,1,0,0,0,0|3,0,0]=4 1580 B8R1.11 CC1=NON=C1CO MCULE-3205215758 [0,1,0,0,0,0|3,0,0]=4 1581 B8R1.11 CC1=NSC=C1CO MCULE-3473428292 [0,1,0,0,0,0|3,0,0]=4 1582 B8R1.11 CCC1=C(C=NN1)N MCULE-5439051859 [0,1,0,0,0,0|3,0,0]=4 1583 B8R1.11 CCC1=C(C=NO1)Br MCULE-6911530291 [0,1,0,0,0,0|2,0,0]=3 1584 B8R1.11 CCC1=C(C=NO1)I MCULE-3920858112 [0,1,0,0,0,0|2,0,0]=3 1585 B8R1.11 CCC1=C(C=NO1)N MCULE-1961693700 [0,1,0,0,0,0|2,0,0]=3 1586 B8R1.11 CCC1=C(C=NO1)N MCULE-4676999082 [0,1,0,0,0,0|2,0,0]=3 1587 B8R1.11 CCC1=C(N=CS1)C MCULE-8495277849 [0,1,0,0,0,0|2,1,0]=4 1588 B8R1.11 CCC1=C(SC=C1)Br MCULE-6065514127 [0,1,0,0,0,0|3,0,0]=4 1589 B8R1.11 CCC1=C(SC=C1)Cl MCULE-6157414652 [0,1,0,0,0,0|3,0,0]=4 1590 B8R1.11 CCC1=C(SC=C1)N MCULE-4451604839 [0,1,0,0,0,0|3,0,0]=4 1591 B8R1.11 CCC1=C(SC=N1)N MCULE-2343057802 [0,1,0,0,0,0|3,0,0]=4 1592 B8R1.11 CCC1=CC=CN1N MCULE-3219316456 [0,1,0,0,0,0|2,0,0]=3 1593 B8R1.11 CCC1=CC=NN1C MCULE-6807072345 [0,1,0,0,0,0|3,0,0]=4 1594 B8R1.11 CCC1=CN=CN1C MCULE-6470580705 [0,1,0,0,0,0|3,0,0]=4 1595 B8R1.11 CCC1=CSC=C1Br MCULE-1301118926 [0,1,0,0,0,0|3,0,0]=4 1596 B8R1.11 CCC1=NNC=C1Br MCULE-3949240452 [0,1,0,0,0,0|3,0,0]=4 1597 B8R1.11 CCC1=NNC=C1C MCULE-2382281281 [0,1,0,0,0,0|3,0,0]=4 1598 B8R1.11 CCC1=NNC=C1C MCULE-6447005450 [0,1,0,0,0,0|3,0,0]=4 1599 B8R1.11 CCC1=NNC=C1I MCULE-4982314019 [0,1,0,0,0,0|3,0,0]=4 1600 B8R1.11 CCC1=NOC=C1N MCULE-7444907456 [0,1,0,0,0,0|3,0,0]=4 1601 B8R1.11 CCN1N=CC=C1Br MCULE-7634952399 [0,1,0,0,0,0|3,0,0]=4 1602 B8R1.11 CCN1N=CC=C1C MCULE-7029406332 [0,1,0,0,0,0|3,0,0]=4 1603 B8R1.11 CCN1N=CC=C1Cl MCULE-4400959295 [0,1,0,0,0,0|3,0,0]=4 1604 B8R1.11 CCN1N=CC=C1F MCULE-2790230181 [0,1,0,0,0,0|3,0,0]=4 1605 B8R1.11 CCN1N=CC=C1I MCULE-7507084372 [0,1,0,0,0,0|3,0,0]=4 1606 B8R1.11 CCN1N=CC=C1N MCULE-1134329761 [0,1,0,0,0,0|3,0,0]=4 1607 B8R1.11 CCN1N=CC=C1O MCULE-9331211869 [0,1,0,0,0,0|3,0,0]=4 1608 B8R1.11 CC[N+]1=CC=CN1C MCULE-1689563914 [0,1,0,0,0,0|3,0,0]=4 1609 B8R1.11 CC[N+]1=CC=CN1C MCULE-9049653056 [0,1,0,0,0,0|3,0,0]=4 1610 B8R1.11 CN1C=CC=C1C#N MCULE-9047519312 [0,1,0,0,0,0|2,0,1]=4 1611 B8R1.11 CN1C=CC=C1C=O MCULE-6257317045 [0,1,0,0,0,0|1,0,2]=4 1612 B8R1.11 CN1C=CC=C1CN MCULE-4666453025 [0,1,0,0,0,0|2,0,0]=3 1613 B8R1.11 CN1C=CC=C1CN MCULE-4973656166 [0,1,0,0,0,0|2,0,0]=3 1614 B8R1.11 CN1C=CC=C1CO MCULE-7568721522 [0,1,0,0,0,0|1,0,0]=2 1615 B8R1.11 CN1C=CC=C1CS MCULE-9744329447 [0,1,0,0,0,0|1,1,0]=3 1616 B8R1.11 CN1C=CN=C1CBr MCULE-1606863497 [0,1,0,0,0,0|3,0,0]=4 1617 B8R1.11 CN1C=CN=C1CBr MCULE-3791371917 [0,1,0,0,0,0|3,0,0]=4 1618 B8R1.11 CN1C=CN=C1CCl MCULE-2096210393 [0,1,0,0,0,0|3,0,0]=4 1619 B8R1.11 CN1C=CN=C1CCl MCULE-4644001974 [0,1,0,0,0,0|3,0,0]=4 1620 B8R1.11 CN1C=CN=C1CF MCULE-5152424044 [0,1,0,0,0,0|3,0,0]=4 1621 B8R1.11 CN1C=CN=C1CN MCULE-1068444430 [0,1,0,0,0,0|3,0,0]=4 1622 B8R1.11 CN1C=CN=C1CN MCULE-5728098333 [0,1,0,0,0,0|3,0,0]=4 1623 B8R1.11 CN1C=CN=C1CN MCULE-8497707863 [0,1,0,0,0,0|3,0,0]=4 1624 B8R1.11 CN1C=CN=C1CO MCULE-1521474900 [0,1,0,0,0,0|2,0,0]=3 1625 B8R1.11 CN1C=CN=C1CO MCULE-8693266867 [0,1,0,0,0,0|2,0,0]=3 1626 B8R1.11 CN1C=NC=C1CBr MCULE-6977095298 [0,1,0,0,0,0|3,0,0]=4 1627 B8R1.11 CN1C=NC=C1CBr MCULE-7160138849 [0,1,0,0,0,0|3,0,0]=4 1628 B8R1.11 CN1C=NC=C1CCl MCULE-2888755882 [0,1,0,0,0,0|3,0,0]=4 1629 B8R1.11 CN1C=NC=C1CCl MCULE-7855648270 [0,1,0,0,0,0|3,0,0]=4 1630 B8R1.11 CN1C=NC=C1CN MCULE-4392851314 [0,1,0,0,0,0|3,0,0]=4 1631 B8R1.11 CN1C=NC=C1CN MCULE-6611106164 [0,1,0,0,0,0|3,0,0]=4 1632 B8R1.11 CN1C=NC=C1CO MCULE-5142443406 [0,1,0,0,0,0|2,0,0]=3 1633 B8R1.11 CN1C=NN=C1CO MCULE-6030528749 [0,1,0,0,0,0|3,0,0]=4 1634 B8R1.11 CN1N=CC=C1CBr MCULE-4129953668 [0,1,0,0,0,0|3,0,0]=4 1635 B8R1.11 CN1N=CC=C1CBr MCULE-7492713849 [0,1,0,0,0,0|3,0,0]=4 1636 B8R1.11 CN1N=CC=C1CCl MCULE-5247429045 [0,1,0,0,0,0|3,0,0]=4 1637 B8R1.11 CN1N=CC=C1CCl MCULE-9542093776 [0,1,0,0,0,0|3,0,0]=4 1638 B8R1.11 CN1N=CC=C1CN MCULE-5856130402 [0,1,0,0,0,0|3,0,0]=4 1639 B8R1.11 CN1N=CC=C1CN MCULE-8887654915 [0,1,0,0,0,0|3,0,0]=4 1640 B8R1.11 CN1N=CC=C1CN MCULE-9794344954 [0,1,0,0,0,0|3,0,0]=4 1641 B8R1.11 CN1N=CC=C1CO MCULE-7385621229 [0,1,0,0,0,0|2,0,0]=3 1642 B8R1.11 CN1N=CN=C1CO MCULE-2017582109 [0,1,0,0,0,0|3,0,0]=4 1643 B8R1.11 CN1N=CN=C1CO MCULE-7193467896 [0,1,0,0,0,0|3,0,0]=4 1644 B8R1.11 CN1N=NC=C1CO MCULE-5610976028 [0,1,0,0,0,0|3,0,0]=4 1645 B8R1.11 CNC1=C(C=CS1)N MCULE-5988461747 [0,1,0,0,0,0|2,1,0]=4 1646 B8R1.11 COC1=C(C=CS1)Br MCULE-7222042449 [0,1,0,0,0,0|2,1,0]=4 1647 B8R1.11 COC1=C(C=CS1)N MCULE-9226565552 [0,1,0,0,0,0|2,1,0]=4 1648 B8R1.11 CSC1=C(C=CS1)Br MCULE-4497741578 [0,1,0,0,0,0|2,1,0]=4 1649 B8R1.11 CSC1=C(C=CS1)C MCULE-9004032312 [0,1,0,0,0,0|2,1,0]=4 1650 B8R1.11 CSC1=C(C=CS1)I MCULE-7506712333 [0,1,0,0,0,0|2,1,0]=4 1651 B8R1.11 ClC1=C(C=CS1)CBr MCULE-9238260496 [0,1,0,0,0,0|3,0,0]=4 1652 B8R1.11 ClC1=C(SC=N1)CBr MCULE-2759709927 [0,1,0,0,0,0|2,1,0]=4 1653 B8R1.11 ClC1=C(SC=N1)CBr MCULE-8831062409 [0,1,0,0,0,0|2,1,0]=4 1654 B8R1.11 ClCC1=C(C=CS1)Br MCULE-1964656883 [0,1,0,0,0,0|1,1,0]=3 1655 B8R1.11 ClCC1=C(C=CS1)Cl MCULE-4671484303 [0,1,0,0,0,0|1,1,0]=3 1656 B8R1.11 ClCC1=C(SC=C1)Cl MCULE-9873548809 [0,1,0,0,0,0|3,0,0]=4 1657 B8R1.11 ClCC1=C(SC=N1)Br MCULE-4807811707 [0,1,0,0,0,0|3,0,0]=4 1658 B8R1.11 N#CC1=C(C=CO1)Br MCULE-8106737505 [0,1,0,0,0,0|1,0,1]=3 1659 B8R1.11 N#CC1=C(C=CS1)Br MCULE-2659338573 [0,1,0,0,0,0|1,1,1]=4 1660 B8R1.11 N#CC1=C(C=CS1)Cl MCULE-7163942757 [0,1,0,0,0,0|1,1,1]=4 1661 B8R1.11 N#CC1=C(C=CS1)F MCULE-1309396537 [0,1,0,0,0,0|1,1,1]=4 1662 B8R1.11 N#CC1=C(C=CS1)N MCULE-1937039825 [0,1,0,0,0,0|1,1,1]=4 1663 B8R1.11 N#CC1=C(C=CS1)N MCULE-3270746146 [0,1,0,0,0,0|1,1,1]=4 1664 B8R1.11 N#CC1=CC=CN1N MCULE-7348141206 [0,1,0,0,0,0|2,0,1]=4 1665 B8R1.11 N#CC1=CC=CN1N MCULE-8247673407 [0,1,0,0,0,0|2,0,1]=4 1666 B8R1.11 NC1=C(OC=C1)C=O MCULE-6101864021 [0,1,0,0,0,0|0,0,2]=3 1667 B8R1.11 NC1=C(SC=C1)C=O MCULE-1516736026 [0,1,0,0,0,0|0,1,2]=4 1668 B8R1.11 NC1=C(SC=C1)CO MCULE-6189940771 [0,1,0,0,0,0|0,1,0]=2 1669 B8R1.11 NC1=NON=C1CO MCULE-7388551531 [0,1,0,0,0,0|3,0,0]=4 1670 B8R1.11 NCC1=C(C=CS1)Br MCULE-2292248434 [0,1,0,0,0,0|1,1,0]=3 1671 B8R1.11 NCC1=C(C=CS1)Br MCULE-6890580302 [0,1,0,0,0,0|1,1,0]=3 1672 B8R1.11 NCC1=C(C=CS1)Cl MCULE-3009379161 [0,1,0,0,0,0|1,1,0]=3 1673 B8R1.11 NCC1=C(C=CS1)Cl MCULE-9513358236 [0,1,0,0,0,0|1,1,0]=3 1674 B8R1.11 NCC1=C(C=CS1)F MCULE-3943187647 [0,1,0,0,0,0|1,1,0]=3 1675 B8R1.11 NCC1=C(C=CS1)F MCULE-6189439837 [0,1,0,0,0,0|1,1,0]=3 1676 B8R1.11 NCC1=C(C=NS1)Br MCULE-1895736152 [0,1,0,0,0,0|2,1,0]=4 1677 B8R1.11 NCC1=C(C=NS1)Br MCULE-3082860472 [0,1,0,0,0,0|2,1,0]=4 1678 B8R1.11 NCC1=C(SC=C1)Br MCULE-4839650292 [0,1,0,0,0,0|3,0,0]=4 1679 B8R1.11 NCC1=C(SC=C1)Br MCULE-7473289869 [0,1,0,0,0,0|3,0,0]=4 1680 B8R1.11 NCC1=CSC=C1Br MCULE-9818626432 [0,1,0,0,0,0|3,0,0]=4 1681 B8R1.11 NCC1=CSC=C1Cl MCULE-4911979720 [0,1,0,0,0,0|3,0,0]=4 1682 B8R1.11 NCC1=NSC=C1Br MCULE-6698343940 [0,1,0,0,0,0|3,0,0]=4 1683 B8R1.11 NCC1=NSC=C1Br MCULE-7497194199 [0,1,0,0,0,0|3,0,0]=4 1684 B8R1.11 O=C1CCC=C1CO MCULE-5949194155 [0,1,0,0,0,0|1,0,2]=4 1685 B8R1.11 O=CC1=C(C=CN1)Br MCULE-8873872890 [0,1,0,0,0,0|1,0,2]=4 1686 B8R1.11 O=CC1=C(C=CN1)Cl MCULE-2369252815 [0,1,0,0,0,0|1,0,2]=4 1687 B8R1.11 O=CC1=C(C=CO1)Br MCULE-1671937378 [0,1,0,0,0,0|0,0,2]=3 1688 B8R1.11 O=CC1=C(C=CO1)Cl MCULE-3043496531 [0,1,0,0,0,0|0,0,2]=3 1689 B8R1.11 O=CC1=C(C=CS1)Br MCULE-9874120218 [0,1,0,0,0,0|0,1,2]=4 1690 B8R1.11 O=CC1=C(C=CS1)Cl MCULE-1094634631 [0,1,0,0,0,0|0,1,2]=4 1691 B8R1.11 O=CC1=C(C=CS1)F MCULE-2820167115 [0,1,0,0,0,0|0,1,2]=4 1692 B8R1.11 O=CC1=C(C=CS1)I MCULE-4460021376 [0,1,0,0,0,0|0,1,2]=4 1693 B8R1.11 OCC1=C(C=CS1)Br MCULE-3425296121 [0,1,0,0,0,0|0,1,0]=2 1694 B8R1.11 OCC1=C(C=CS1)Cl MCULE-5949360230 [0,1,0,0,0,0|0,1,0]=2 1695 B8R1.11 OCC1=C(C=NO1)Cl MCULE-3289498104 [0,1,0,0,0,0|1,0,0]=2 1696 B8R1.11 OCC1=C(C=NS1)Br MCULE-3435322372 [0,1,0,0,0,0|1,1,0]=3 1697 B8R1.11 OCC1=C(N=CS1)Br MCULE-5444018844 [0,1,0,0,0,0|1,1,0]=3 1698 B8R1.11 OCC1=C(N=CS1)Cl MCULE-1047667255 [0,1,0,0,0,0|1,1,0]=3 1699 B8R1.11 OCC1=C(SC=C1)Br MCULE-9049690302 [0,1,0,0,0,0|2,0,0]=3 1700 B8R1.11 OCC1=C(SC=C1)Cl MCULE-2378932350 [0,1,0,0,0,0|2,0,0]=3 1701 B8R1.11 OCC1=C(SC=N1)Br MCULE-2551706477 [0,1,0,0,0,0|2,0,0]=3 1702 B8R1.11 OCC1=CSC=C1Br MCULE-9495399693 [0,1,0,0,0,0|2,0,0]=3 1703 B8R1.11 OCC1=NNC=C1Br MCULE-7846093419 [0,1,0,0,0,0|2,0,0]=3 1704 B8R1.11 OCC1=NSC=C1Br MCULE-5461243363 [0,1,0,0,0,0|2,0,0]=3 1705 B8R1.11 OC[C@H]1OC=C[C@@H]1O MCULE-7880756266 [0,1,0,0,0,0|0,0,2]=3 1706 B8R1.52 CC1(C=CCC1)CO MCULE-5775332492 [0,1,0,0,0,0|1,0,2]=4 1707 B8R1.52 NC1(CC=CC1)CO MCULE-5106747123 [0,1,0,0,0,0|1,0,2]=4 1708 B8R1.52 NC1(CC=CC1)CO MCULE-8638464155 [0,1,0,0,0,0|1,0,2]=4 1709 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,0,1,0,0,0|1,0,2]=4 1710 B6R0.1 C=C=CC(C)CO MCULE-4111632331 [0,0,1,0,0,0|1,0,2]=4 1711 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,0,1,0,0,0|2,0,1]=4 1712 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,0,1,0,0,0|1,0,2]=4 1713 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,0,1,0,0,0|1,0,2]=4 1714 B6R0.1 C=CCC(C)CO MCULE-9174943108 [0,0,1,0,0,0|1,0,2]=4 1715 B6R0.1 C=CCC(N)CO MCULE-3854217705 [0,0,1,0,0,0|1,0,2]=4 1716 B6R0.1 C=CCC(N)CO MCULE-6104194102 [0,0,1,0,0,0|1,0,2]=4 1717 B6R0.1 C=CCC(N)CO MCULE-6473126335 [0,0,1,0,0,0|1,0,2]=4 1718 B6R0.1 C=CCC(N)CO MCULE-8430673873 [0,0,1,0,0,0|1,0,2]=4 1719 B6R0.1 C=CCC(O)CC MCULE-1497539816 [0,0,1,0,0,0|1,0,2]=4 1720 B6R0.1 C=CCC(O)CN MCULE-8237489732 [0,0,1,0,0,0|1,0,2]=4 1721 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [0,0,1,0,0,0|1,0,2]=4 1722 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [0,0,1,0,0,0|1,0,2]=4 1723 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [0,0,1,0,0,0|1,0,2]=4 1724 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [0,0,1,0,0,0|1,0,2]=4 1725 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [0,0,1,0,0,0|1,0,2]=4 1726 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [0,0,1,0,0,0|1,0,2]=4 1727 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [0,0,1,0,0,0|1,0,2]=4 1728 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [0,0,1,0,0,0|1,0,2]=4 1729 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [0,0,1,0,0,0|1,0,2]=4 1730 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [0,0,1,0,0,0|1,0,2]=4 1731 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,0,1,0,0,0|2,0,0]=3 1732 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,0,1,0,0,0|2,0,0]=3 1733 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,0,1,0,0,0|1,0,2]=4 1734 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [0,0,1,0,0,0|1,0,2]=4 1735 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [0,0,1,0,0,0|1,0,2]=4 1736 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [0,0,1,0,0,0|1,0,2]=4 1737 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [0,0,1,0,0,0|1,0,2]=4 1738 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,0,1,0,0,0|1,0,2]=4 1739 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [0,0,1,0,0,0|2,0,1]=4 1740 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [0,0,1,0,0,0|1,0,2]=4 1741 B6R0.6 C/C=C/C=C/C#N MCULE-3461215979 [0,0,1,0,0,0|2,0,1]=4 1742 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [0,0,1,0,0,0|1,0,2]=4 1743 B6R0.6 C/C=C/C=C/CO MCULE-3717958585 [0,0,1,0,0,0|1,0,0]=2 1744 B6R0.6 C/C=C/CCCO MCULE-9865436125 [0,0,1,0,0,0|1,0,2]=4 1745 B6R0.6 C/C=C\CCCO MCULE-3169839661 [0,0,1,0,0,0|1,0,2]=4 1746 B6R0.6 C=CC=CCCBr MCULE-8528821525 [0,0,1,0,0,0|2,0,1]=4 1747 B6R0.6 C=CC=CCCN MCULE-8129949310 [0,0,1,0,0,0|2,0,1]=4 1748 B6R0.6 C=CC=CCCO MCULE-5956097722 [0,0,1,0,0,0|1,0,1]=3 1749 B6R0.6 C=CCC#CCO MCULE-2958886356 [0,0,1,0,0,0|1,0,2]=4 1750 B6R0.6 C=CCCCCO MCULE-3631432277 [0,0,1,0,0,0|1,0,2]=4 1751 B6R0.6 C=CCNCCO MCULE-5860509324 [0,0,1,0,0,0|1,0,2]=4 1752 B6R0.6 C=CCOCCBr MCULE-7565992230 [0,0,1,0,0,0|1,0,2]=4 1753 B6R0.6 C=CCOCCCl MCULE-1353236332 [0,0,1,0,0,0|1,0,2]=4 1754 B6R0.6 C=CCOCCI MCULE-8468439129 [0,0,1,0,0,0|1,0,2]=4 1755 B6R0.6 C=CCOCCN MCULE-5411259412 [0,0,1,0,0,0|1,0,2]=4 1756 B6R0.6 C=CCOCCN MCULE-9798285838 [0,0,1,0,0,0|1,0,2]=4 1757 B6R0.6 C=CCOCCO MCULE-5718868633 [0,0,1,0,0,0|0,0,2]=3 1758 B6R0.6 C=COCCCO MCULE-8325617945 [0,0,1,0,0,0|2,0,1]=4 1759 B6R0.6 CC/C=C/CCO MCULE-9853729917 [0,0,1,0,0,0|1,0,2]=4 1760 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [0,0,1,0,0,0|1,0,2]=4 1761 B6R0.6 CC/C=C\CCO MCULE-9206958060 [0,0,1,0,0,0|1,0,2]=4 1762 B6R0.6 CC=CC=CC#N MCULE-2944741082 [0,0,1,0,0,0|2,0,1]=4 1763 B6R0.6 CC=CC=CC=O MCULE-7370101773 [0,0,1,0,0,0|1,0,2]=4 1764 B6R0.6 CC=CC=CCN MCULE-9780064235 [0,0,1,0,0,0|2,0,0]=3 1765 B6R0.6 CC=CC=CCO MCULE-1802738822 [0,0,1,0,0,0|1,0,0]=2 1766 B6R0.6 CC=CCCCO MCULE-1401303632 [0,0,1,0,0,0|1,0,2]=4 1767 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [0,0,1,0,0,0|1,0,2]=4 1768 B6R0.6 CCC=CCC=O MCULE-5764198290 [0,0,1,0,0,0|1,0,2]=4 1769 B6R0.6 CCC=CCCO MCULE-1781375433 [0,0,1,0,0,0|1,0,2]=4 1770 B6R0.6 CCCC=CC=O MCULE-5273169296 [0,0,1,0,0,0|1,0,2]=4 1771 B6R0.6 CCCC=CCO MCULE-3204738641 [0,0,1,0,0,0|1,0,2]=4 1772 B6R0.6 N#CCC=CCO MCULE-6995751332 [0,0,1,0,0,0|1,0,2]=4 1773 B6R0.6 O=CC=CC=C[O-] MCULE-1735082795 [0,0,1,0,0,0|0,0,3]=4 1774 B6R0.6 O=CC=CC=C[O-] MCULE-1943976542 [0,0,1,0,0,0|0,0,3]=4 1775 B6R0.9 C=CC(CCl)OC MCULE-7435605398 [0,0,1,0,0,0|1,0,2]=4 1776 B6R0.9 C=C[Te+](C=C)CC MCULE-1463602090 [0,0,1,0,0,0|3,0,0]=4 1777 B6R0.9 C=C[Te+](C=C)CC MCULE-4459353516 [0,0,1,0,0,0|3,0,0]=4 1778 B8R2.55 C1=CC2(C=C1)CC2 MCULE-8160403503 [0,0,0,1,0,0|2,0,1]=4 1779 B6R1.6 OCC1CCO1 MCULE-7120761203 [0,0,0,0,1,0|0,0,3]=4 1780 B6R1.6 OCC1CCO1 MCULE-7517577386 [0,0,0,0,1,0|0,0,3]=4 1781 B6R1.6 OC[C@@H]1CCO1 MCULE-7613449097 [0,0,0,0,1,0|0,0,3]=4 1782 B6R1.6 OC[C@@H]1CCO1 MCULE-9444003682 [0,0,0,0,1,0|0,0,3]=4 1783 B6R1.6 OC[C@H]1CCO1 MCULE-1446169257 [0,0,0,0,1,0|0,0,3]=4 1784 B6R1.6 OC[C@H]1CCO1 MCULE-2929052431 [0,0,0,0,1,0|0,0,3]=4 1785 B8R1.2 BrCC1=CC=CC=C1 MCULE-8131302203 [0,0,0,0,0,1|2,0,0]=3 1786 B8R1.2 BrCC1=CC=CN=C1 MCULE-1038247462 [0,0,0,0,0,1|2,0,0]=3 1787 B8R1.2 BrCC1=CC=CN=C1 MCULE-6879653819 [0,0,0,0,0,1|2,0,0]=3 1788 B8R1.2 BrCC1=CC=NC=C1 MCULE-7868928822 [0,0,0,0,0,1|2,0,0]=3 1789 B8R1.2 BrCC1=CC=NC=C1 MCULE-9132865086 [0,0,0,0,0,1|2,0,0]=3 1790 B8R1.2 BrCC1=CN=CN=C1 MCULE-7327865064 [0,0,0,0,0,1|3,0,0]=4 1791 B8R1.2 BrCC1=CN=CN=C1 MCULE-8921824401 [0,0,0,0,0,1|3,0,0]=4 1792 B8R1.2 BrCC1=CN=NC=C1 MCULE-4312619133 [0,0,0,0,0,1|3,0,0]=4 1793 B8R1.2 BrCC1=NC=CC=C1 MCULE-3599311267 [0,0,0,0,0,1|2,0,0]=3 1794 B8R1.2 BrCC1=NC=CC=C1 MCULE-6153573889 [0,0,0,0,0,1|2,0,0]=3 1795 B8R1.2 BrCC1=NC=CC=N1 MCULE-6017793689 [0,0,0,0,0,1|2,0,0]=3 1796 B8R1.2 BrCC1=NC=CC=N1 MCULE-7780892456 [0,0,0,0,0,1|2,0,0]=3 1797 B8R1.2 BrCC1=NC=CN=C1 MCULE-1619907559 [0,0,0,0,0,1|2,0,0]=3 1798 B8R1.2 BrCC1=NC=CN=C1 MCULE-2758146793 [0,0,0,0,0,1|2,0,0]=3 1799 B8R1.2 BrCC1=NC=CN=C1 MCULE-5829312443 [0,0,0,0,0,1|2,0,0]=3 1800 B8R1.2 BrCC1=NC=NC=C1 MCULE-7084136982 [0,0,0,0,0,1|2,0,0]=3 1801 B8R1.2 BrCC1=NC=NC=C1 MCULE-7446973973 [0,0,0,0,0,1|2,0,0]=3 1802 B8R1.2 BrCC1=NN=CC=C1 MCULE-7103856272 [0,0,0,0,0,1|2,0,0]=3 1803 B8R1.2 BrCC1=NN=CC=C1 MCULE-9122598801 [0,0,0,0,0,1|2,0,0]=3 1804 B8R1.2 Br[Se]C1=CC=CC=C1 MCULE-9325770396 [0,0,0,0,0,1|3,0,0]=4 1805 B8R1.2 C#CC1=CC=CC=C1 MCULE-7733093225 [0,0,0,0,0,1|2,0,1]=4 1806 B8R1.2 C#CC1=CC=CC=N1 MCULE-7352511856 [0,0,0,0,0,1|2,0,1]=4 1807 B8R1.2 C#CC1=CC=CN=C1 MCULE-7150168102 [0,0,0,0,0,1|2,0,1]=4 1808 B8R1.2 C#CC1=CC=NC=C1 MCULE-1683188742 [0,0,0,0,0,1|2,0,1]=4 1809 B8R1.2 C#CC1=CC=NC=C1 MCULE-9307361086 [0,0,0,0,0,1|2,0,1]=4 1810 B8R1.2 C#CC1=NC=CC=N1 MCULE-8916349875 [0,0,0,0,0,1|2,0,1]=4 1811 B8R1.2 C#CC1=NC=CN=C1 MCULE-4449659164 [0,0,0,0,0,1|2,0,1]=4 1812 B8R1.2 C#CC1=NC=NC=C1 MCULE-1803709004 [0,0,0,0,0,1|2,0,1]=4 1813 B8R1.2 C#CC1=NN=CC=C1 MCULE-1835978198 [0,0,0,0,0,1|2,0,1]=4 1814 B8R1.2 C=CC1=CC=CC=C1 MCULE-4715354738 [0,0,0,0,0,1|2,0,1]=4 1815 B8R1.2 C=CC1=CC=CC=N1 MCULE-7403259164 [0,0,0,0,0,1|2,0,1]=4 1816 B8R1.2 C=CC1=CC=CN=C1 MCULE-8817818665 [0,0,0,0,0,1|2,0,1]=4 1817 B8R1.2 C=CC1=CC=NC=C1 MCULE-5473364021 [0,0,0,0,0,1|2,0,1]=4 1818 B8R1.2 C=CC1=NC=CC=N1 MCULE-7436531209 [0,0,0,0,0,1|2,0,1]=4 1819 B8R1.2 C=CC1=NC=CN=C1 MCULE-5190300016 [0,0,0,0,0,1|2,0,1]=4 1820 B8R1.2 C=CC1=NN=CC=C1 MCULE-8571564308 [0,0,0,0,0,1|2,0,1]=4 1821 B8R1.2 C=NC1=NC=CC=C1 MCULE-1464888277 [0,0,0,0,0,1|3,0,0]=4 1822 B8R1.2 CCC1=CC=CC=C1 MCULE-6974188032 [0,0,0,0,0,1|2,0,0]=3 1823 B8R1.2 CCC1=CC=CC=N1 MCULE-1978895534 [0,0,0,0,0,1|2,0,0]=3 1824 B8R1.2 CCC1=CC=NC=C1 MCULE-4630537627 [0,0,0,0,0,1|2,0,0]=3 1825 B8R1.2 CCC1=CCCC=C1 MCULE-7185315314 [0,0,0,0,0,1|2,0,1]=4 1826 B8R1.2 CCC1=CN=CC=C1 MCULE-4389336407 [0,0,0,0,0,1|2,0,0]=3 1827 B8R1.2 CCC1=NC=CC=N1 MCULE-9662260411 [0,0,0,0,0,1|2,0,0]=3 1828 B8R1.2 CCC1=NC=CN=C1 MCULE-5253581629 [0,0,0,0,0,1|2,0,0]=3 1829 B8R1.2 CCC1=NC=NC=C1 MCULE-2187196137 [0,0,0,0,0,1|2,0,0]=3 1830 B8R1.2 CCN1C=CC=CC1 MCULE-9364000935 [0,0,0,0,0,1|3,0,0]=4 1831 B8R1.2 CC[N+]1=CC=CC=C1 MCULE-1015635916 [0,0,0,0,0,1|3,0,0]=4 1832 B8R1.2 CC[N+]1=CC=CC=C1 MCULE-5689056360 [0,0,0,0,0,1|3,0,0]=4 1833 B8R1.2 CC[N+]1=CC=CC=C1 MCULE-5747372781 [0,0,0,0,0,1|3,0,0]=4 1834 B8R1.2 CC[N+]1=CC=CC=C1 MCULE-6026187399 [0,0,0,0,0,1|3,0,0]=4 1835 B8R1.2 CNC1=CC=CC=C1 MCULE-4290721989 [0,0,0,0,0,1|3,0,0]=4 1836 B8R1.2 CNC1=CC=CC=C1 MCULE-6046773954 [0,0,0,0,0,1|3,0,0]=4 1837 B8R1.2 CNC1=CC=NC=C1 MCULE-1305875516 [0,0,0,0,0,1|3,0,0]=4 1838 B8R1.2 CNC1=CN=CC=C1 MCULE-1141875372 [0,0,0,0,0,1|3,0,0]=4 1839 B8R1.2 CNC1=NC=CC=C1 MCULE-5967125973 [0,0,0,0,0,1|3,0,0]=4 1840 B8R1.2 CNC1=NC=CC=N1 MCULE-1406588648 [0,0,0,0,0,1|3,0,0]=4 1841 B8R1.2 CNC1=NC=CC=N1 MCULE-8920209082 [0,0,0,0,0,1|3,0,0]=4 1842 B8R1.2 CNC1=NC=CN=C1 MCULE-7314044553 [0,0,0,0,0,1|3,0,0]=4 1843 B8R1.2 CNC1=NC=NC=C1 MCULE-1427354368 [0,0,0,0,0,1|3,0,0]=4 1844 B8R1.2 CNC1=NN=CC=C1 MCULE-6868687132 [0,0,0,0,0,1|3,0,0]=4 1845 B8R1.2 COC1=CC=CC=C1 MCULE-2691526560 [0,0,0,0,0,1|3,0,0]=4 1846 B8R1.2 COC1=CC=CN=N1 MCULE-7537353239 [0,0,0,0,0,1|3,0,0]=4 1847 B8R1.2 COC1=CC=NC=C1 MCULE-8736387201 [0,0,0,0,0,1|3,0,0]=4 1848 B8R1.2 COC1=CCC=CC1 MCULE-7415926731 [0,0,0,0,0,1|3,0,0]=4 1849 B8R1.2 COC1=CN=CC=C1 MCULE-3090736822 [0,0,0,0,0,1|3,0,0]=4 1850 B8R1.2 COC1=NC=CC=C1 MCULE-1291561536 [0,0,0,0,0,1|3,0,0]=4 1851 B8R1.2 COC1=NC=CC=N1 MCULE-2083930264 [0,0,0,0,0,1|3,0,0]=4 1852 B8R1.2 COC1=NC=CN=C1 MCULE-8592933250 [0,0,0,0,0,1|3,0,0]=4 1853 B8R1.2 COC1=NC=NC=C1 MCULE-7005957275 [0,0,0,0,0,1|3,0,0]=4 1854 B8R1.2 CSC1=CC=CC=C1 MCULE-1625959840 [0,0,0,0,0,1|3,0,0]=4 1855 B8R1.2 CSC1=CC=NC=C1 MCULE-1441345196 [0,0,0,0,0,1|3,0,0]=4 1856 B8R1.2 CSC1=CN=CC=C1 MCULE-4311308434 [0,0,0,0,0,1|3,0,0]=4 1857 B8R1.2 CSC1=CN=CC=N1 MCULE-8176474573 [0,0,0,0,0,1|3,0,0]=4 1858 B8R1.2 CSC1=NC=CC=C1 MCULE-8401723060 [0,0,0,0,0,1|3,0,0]=4 1859 B8R1.2 CSC1=NC=CC=N1 MCULE-8545580596 [0,0,0,0,0,1|3,0,0]=4 1860 B8R1.2 ClCC1=CC=CC=C1 MCULE-5056501597 [0,0,0,0,0,1|2,0,0]=3 1861 B8R1.2 ClCC1=CC=CN=N1 MCULE-9662892234 [0,0,0,0,0,1|2,0,0]=3 1862 B8R1.2 ClCC1=CC=NC=C1 MCULE-6406659125 [0,0,0,0,0,1|2,0,0]=3 1863 B8R1.2 ClCC1=CC=NC=N1 MCULE-6876131421 [0,0,0,0,0,1|2,0,0]=3 1864 B8R1.2 ClCC1=CC=[NH+]C=C1 MCULE-2264944105 [0,0,0,0,0,1|2,0,0]=3 1865 B8R1.2 ClCC1=CN=CC=C1 MCULE-1384786554 [0,0,0,0,0,1|2,0,0]=3 1866 B8R1.2 ClCC1=CN=CC=C1 MCULE-2835543499 [0,0,0,0,0,1|2,0,0]=3 1867 B8R1.2 ClCC1=CN=CC=N1 MCULE-4382287798 [0,0,0,0,0,1|2,0,0]=3 1868 B8R1.2 ClCC1=CN=CC=N1 MCULE-5646136829 [0,0,0,0,0,1|2,0,0]=3 1869 B8R1.2 ClCC1=CN=CN=C1 MCULE-3102103835 [0,0,0,0,0,1|3,0,0]=4 1870 B8R1.2 ClCC1=CN=CN=C1 MCULE-5499216647 [0,0,0,0,0,1|3,0,0]=4 1871 B8R1.2 ClCC1=NC=CC=C1 MCULE-5870861542 [0,0,0,0,0,1|2,0,0]=3 1872 B8R1.2 ClCC1=NC=CC=C1 MCULE-7200632156 [0,0,0,0,0,1|2,0,0]=3 1873 B8R1.2 ClCC1=NC=CC=N1 MCULE-7681102191 [0,0,0,0,0,1|2,0,0]=3 1874 B8R1.2 ClCC1=NC=CC=N1 MCULE-9878184545 [0,0,0,0,0,1|2,0,0]=3 1875 B8R1.2 ClCC1=NC=NC=C1 MCULE-2913855810 [0,0,0,0,0,1|2,0,0]=3 1876 B8R1.2 ClCC1=NN=CC=C1 MCULE-6198777598 [0,0,0,0,0,1|2,0,0]=3 1877 B8R1.2 Cl[Se]C1=CC=CC=C1 MCULE-6249301084 [0,0,0,0,0,1|3,0,0]=4 1878 B8R1.2 FCC1=CC=NC=C1 MCULE-2296240588 [0,0,0,0,0,1|2,0,0]=3 1879 B8R1.2 FCC1=CC=NC=C1 MCULE-7546206704 [0,0,0,0,0,1|2,0,0]=3 1880 B8R1.2 ICC1=CC=CC=C1 MCULE-4634834662 [0,0,0,0,0,1|2,0,0]=3 1881 B8R1.2 ICC1=CC=NC=C1 MCULE-2072722354 [0,0,0,0,0,1|2,0,0]=3 1882 B8R1.2 ICC1=CC=NC=C1 MCULE-8150798257 [0,0,0,0,0,1|2,0,0]=3 1883 B8R1.2 ICC1=CN=CC=C1 MCULE-3271229784 [0,0,0,0,0,1|2,0,0]=3 1884 B8R1.2 ICC1=CN=CC=C1 MCULE-8738154612 [0,0,0,0,0,1|2,0,0]=3 1885 B8R1.2 N#CC1=CC=CC=C1 MCULE-9371683291 [0,0,0,0,0,1|2,0,1]=4 1886 B8R1.2 N#CC1=CC=NC=C1 MCULE-4377487578 [0,0,0,0,0,1|2,0,1]=4 1887 B8R1.2 N#CC1=CN=CC=C1 MCULE-9131126037 [0,0,0,0,0,1|2,0,1]=4 1888 B8R1.2 N#CC1=NC=CC=C1 MCULE-5664463721 [0,0,0,0,0,1|2,0,1]=4 1889 B8R1.2 N#CC1=NC=CC=N1 MCULE-6290898514 [0,0,0,0,0,1|2,0,1]=4 1890 B8R1.2 N#CC1=NC=CN=C1 MCULE-6495674558 [0,0,0,0,0,1|2,0,1]=4 1891 B8R1.2 N#CC1=NC=NC=C1 MCULE-4866896621 [0,0,0,0,0,1|2,0,1]=4 1892 B8R1.2 N#CC1=NN=CC=C1 MCULE-5009730444 [0,0,0,0,0,1|2,0,1]=4 1893 B8R1.2 NCC1=CC=CC=C1 MCULE-3135302137 [0,0,0,0,0,1|2,0,0]=3 1894 B8R1.2 NCC1=CC=CC=C1 MCULE-5164860795 [0,0,0,0,0,1|2,0,0]=3 1895 B8R1.2 NCC1=CC=CC=C1 MCULE-6894874255 [0,0,0,0,0,1|2,0,0]=3 1896 B8R1.2 NCC1=CC=CC=C1 MCULE-9874077275 [0,0,0,0,0,1|2,0,0]=3 1897 B8R1.2 NCC1=CC=CN=C1 MCULE-1831735569 [0,0,0,0,0,1|2,0,0]=3 1898 B8R1.2 NCC1=CC=NC=C1 MCULE-8418049817 [0,0,0,0,0,1|2,0,0]=3 1899 B8R1.2 NCC1=CC=NC=C1 MCULE-8803247728 [0,0,0,0,0,1|2,0,0]=3 1900 B8R1.2 NCC1=CC=NN=C1 MCULE-7188033581 [0,0,0,0,0,1|3,0,0]=4 1901 B8R1.2 NCC1=CCCOC1 MCULE-1828364688 [0,0,0,0,0,1|1,0,2]=4 1902 B8R1.2 NCC1=CCCOC1 MCULE-8439895783 [0,0,0,0,0,1|1,0,2]=4 1903 B8R1.2 NCC1=CN=CC=C1 MCULE-8528062377 [0,0,0,0,0,1|2,0,0]=3 1904 B8R1.2 NCC1=CN=CN=C1 MCULE-3828511856 [0,0,0,0,0,1|3,0,0]=4 1905 B8R1.2 NCC1=CN=CN=C1 MCULE-8754111595 [0,0,0,0,0,1|3,0,0]=4 1906 B8R1.2 NCC1=CN=NC=C1 MCULE-3735405566 [0,0,0,0,0,1|3,0,0]=4 1907 B8R1.2 NCC1=CN=NC=C1 MCULE-5501727869 [0,0,0,0,0,1|3,0,0]=4 1908 B8R1.2 NCC1=NC=CC=C1 MCULE-2222242627 [0,0,0,0,0,1|2,0,0]=3 1909 B8R1.2 NCC1=NC=CC=C1 MCULE-4278422073 [0,0,0,0,0,1|2,0,0]=3 1910 B8R1.2 NCC1=NC=CC=N1 MCULE-1879388835 [0,0,0,0,0,1|2,0,0]=3 1911 B8R1.2 NCC1=NC=CC=N1 MCULE-4842818739 [0,0,0,0,0,1|2,0,0]=3 1912 B8R1.2 NCC1=NC=CC=N1 MCULE-5403038758 [0,0,0,0,0,1|2,0,0]=3 1913 B8R1.2 NCC1=NC=CC=N1 MCULE-8120866560 [0,0,0,0,0,1|2,0,0]=3 1914 B8R1.2 NCC1=NC=CC=N1 MCULE-8993853803 [0,0,0,0,0,1|2,0,0]=3 1915 B8R1.2 NCC1=NC=CN=C1 MCULE-2387462078 [0,0,0,0,0,1|2,0,0]=3 1916 B8R1.2 NCC1=NC=CN=C1 MCULE-4345735784 [0,0,0,0,0,1|2,0,0]=3 1917 B8R1.2 NCC1=NC=CN=C1 MCULE-6827224712 [0,0,0,0,0,1|2,0,0]=3 1918 B8R1.2 NCC1=NC=CN=C1 MCULE-8692788148 [0,0,0,0,0,1|2,0,0]=3 1919 B8R1.2 NCC1=NC=NC=C1 MCULE-4012874091 [0,0,0,0,0,1|2,0,0]=3 1920 B8R1.2 NCC1=NC=NC=C1 MCULE-5753292428 [0,0,0,0,0,1|2,0,0]=3 1921 B8R1.2 NCC1=NC=NC=C1 MCULE-7734595825 [0,0,0,0,0,1|2,0,0]=3 1922 B8R1.2 NCC1=NC=NC=N1 MCULE-1224814720 [0,0,0,0,0,1|3,0,0]=4 1923 B8R1.2 NCC1=NN=CC=C1 MCULE-3179040261 [0,0,0,0,0,1|2,0,0]=3 1924 B8R1.2 NCC1=NN=CC=C1 MCULE-5718256219 [0,0,0,0,0,1|2,0,0]=3 1925 B8R1.2 NCC1=NN=CC=C1 MCULE-6124478734 [0,0,0,0,0,1|2,0,0]=3 1926 B8R1.2 NCC1CCC=CO1 MCULE-9848121283 [0,0,0,0,0,1|1,0,2]=4 1927 B8R1.2 NNC1=CC=CC=C1 MCULE-1663221893 [0,0,0,0,0,1|3,0,0]=4 1928 B8R1.2 NNC1=CC=CC=C1 MCULE-7269035656 [0,0,0,0,0,1|3,0,0]=4 1929 B8R1.2 NNC1=CC=CC=C1 MCULE-8610134536 [0,0,0,0,0,1|3,0,0]=4 1930 B8R1.2 NNC1=CC=CN=C1 MCULE-1070739821 [0,0,0,0,0,1|3,0,0]=4 1931 B8R1.2 NNC1=CC=CN=C1 MCULE-4542882325 [0,0,0,0,0,1|3,0,0]=4 1932 B8R1.2 NNC1=CC=CN=N1 MCULE-8829319599 [0,0,0,0,0,1|3,0,0]=4 1933 B8R1.2 NNC1=CC=NC=C1 MCULE-3883793118 [0,0,0,0,0,1|3,0,0]=4 1934 B8R1.2 NNC1=CC=NC=C1 MCULE-4643123321 [0,0,0,0,0,1|3,0,0]=4 1935 B8R1.2 NNC1=CC=NC=C1 MCULE-4880353741 [0,0,0,0,0,1|3,0,0]=4 1936 B8R1.2 NNC1=CC=NC=C1 MCULE-6057925075 [0,0,0,0,0,1|3,0,0]=4 1937 B8R1.2 NNC1=CC=NC=C1 MCULE-8399660685 [0,0,0,0,0,1|3,0,0]=4 1938 B8R1.2 NNC1=CN=CC=C1 MCULE-5815934355 [0,0,0,0,0,1|3,0,0]=4 1939 B8R1.2 NNC1=NC=CC=C1 MCULE-2738457569 [0,0,0,0,0,1|3,0,0]=4 1940 B8R1.2 NNC1=NC=CC=C1 MCULE-4959807224 [0,0,0,0,0,1|3,0,0]=4 1941 B8R1.2 NNC1=NC=CC=C1 MCULE-7901054767 [0,0,0,0,0,1|3,0,0]=4 1942 B8R1.2 NNC1=NC=CC=N1 MCULE-5603912863 [0,0,0,0,0,1|3,0,0]=4 1943 B8R1.2 NNC1=NC=CC=N1 MCULE-7597368267 [0,0,0,0,0,1|3,0,0]=4 1944 B8R1.2 NNC1=NC=CN=C1 MCULE-2502100125 [0,0,0,0,0,1|3,0,0]=4 1945 B8R1.2 NNC1=NC=CN=C1 MCULE-9412045842 [0,0,0,0,0,1|3,0,0]=4 1946 B8R1.2 NNC1=NC=NC=C1 MCULE-7439898615 [0,0,0,0,0,1|3,0,0]=4 1947 B8R1.2 NNC1=NN=CC=C1 MCULE-7974469190 [0,0,0,0,0,1|3,0,0]=4 1948 B8R1.2 NOC1=CC=CC=C1 MCULE-1504749518 [0,0,0,0,0,1|3,0,0]=4 1949 B8R1.2 NOC1=CC=CC=C1 MCULE-9667524705 [0,0,0,0,0,1|3,0,0]=4 1950 B8R1.2 NOC1=CC=CN=C1 MCULE-9338009613 [0,0,0,0,0,1|3,0,0]=4 1951 B8R1.2 NOC1=CC=CN=C1 MCULE-9363090305 [0,0,0,0,0,1|3,0,0]=4 1952 B8R1.2 NOC1=CC=NC=C1 MCULE-1493003161 [0,0,0,0,0,1|3,0,0]=4 1953 B8R1.2 NOC1=CC=NC=C1 MCULE-4957469716 [0,0,0,0,0,1|3,0,0]=4 1954 B8R1.2 NOC1=CN=CC=C1 MCULE-6822285267 [0,0,0,0,0,1|3,0,0]=4 1955 B8R1.2 O=CC1=CC=CC=C1 MCULE-7744113682 [0,0,0,0,0,1|1,0,2]=4 1956 B8R1.2 O=CC1=CC=CC=N1 MCULE-4937131604 [0,0,0,0,0,1|1,0,2]=4 1957 B8R1.2 O=CC1=CC=CN=C1 MCULE-3309731741 [0,0,0,0,0,1|1,0,2]=4 1958 B8R1.2 O=CC1=CC=CN=N1 MCULE-4854117500 [0,0,0,0,0,1|1,0,2]=4 1959 B8R1.2 O=CC1=CC=NC=C1 MCULE-5970042944 [0,0,0,0,0,1|1,0,2]=4 1960 B8R1.2 O=CC1=NC=CC=N1 MCULE-8219379254 [0,0,0,0,0,1|1,0,2]=4 1961 B8R1.2 O=CC1=NC=CN=C1 MCULE-6505422257 [0,0,0,0,0,1|1,0,2]=4 1962 B8R1.2 O=CC1=NC=NC=C1 MCULE-2340151808 [0,0,0,0,0,1|1,0,2]=4 1963 B8R1.2 O=NC1=CC=CC=C1 MCULE-1238676706 [0,0,0,0,0,1|2,0,1]=4 1964 B8R1.2 O=NC1=NC=CC=C1 MCULE-1124153701 [0,0,0,0,0,1|2,0,1]=4 1965 B8R1.2 O=[As]C1=CC=CC=C1 MCULE-7322278015 [0,0,0,0,0,1|2,0,1]=4 1966 B8R1.2 O=[IH2]C1=CC=CC=C1 MCULE-1680338934 [0,0,0,0,0,1|2,0,1]=4 1967 B8R1.2 OCC1=CC=CC=C1 MCULE-6011707909 [0,0,0,0,0,1|1,0,0]=2 1968 B8R1.2 OCC1=CC=CN=C1 MCULE-4350730997 [0,0,0,0,0,1|1,0,0]=2 1969 B8R1.2 OCC1=CC=NC=C1 MCULE-2006782998 [0,0,0,0,0,1|1,0,0]=2 1970 B8R1.2 OCC1=CC=NC=C1 MCULE-8260320611 [0,0,0,0,0,1|1,0,0]=2 1971 B8R1.2 OCC1=CC=NC=C1 MCULE-8745577217 [0,0,0,0,0,1|1,0,0]=2 1972 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [0,0,0,0,0,1|1,0,2]=4 1973 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [0,0,0,0,0,1|0,0,2]=3 1974 B8R1.2 OCC1=CCCOC1 MCULE-5407184933 [0,0,0,0,0,1|0,0,2]=3 1975 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [0,0,0,0,0,1|1,0,2]=4 1976 B8R1.2 OCC1=CN=CN=C1 MCULE-9994325653 [0,0,0,0,0,1|2,0,0]=3 1977 B8R1.2 OCC1=CN=NC=C1 MCULE-6819828194 [0,0,0,0,0,1|2,0,0]=3 1978 B8R1.2 OCC1=NC=CC=C1 MCULE-7483458489 [0,0,0,0,0,1|1,0,0]=2 1979 B8R1.2 OCC1=NC=CC=C1 MCULE-8322662999 [0,0,0,0,0,1|1,0,0]=2 1980 B8R1.2 OCC1=NC=CC=N1 MCULE-2571840857 [0,0,0,0,0,1|1,0,0]=2 1981 B8R1.2 OCC1=NC=CC=N1 MCULE-9206721463 [0,0,0,0,0,1|1,0,0]=2 1982 B8R1.2 OCC1=NC=CN=C1 MCULE-1281180900 [0,0,0,0,0,1|1,0,0]=2 1983 B8R1.2 OCC1=NC=CN=C1 MCULE-1808729856 [0,0,0,0,0,1|1,0,0]=2 1984 B8R1.2 OCC1=NC=NC=C1 MCULE-9547917578 [0,0,0,0,0,1|1,0,0]=2 1985 B8R1.2 OCC1=NN=CC=C1 MCULE-1017666684 [0,0,0,0,0,1|1,0,0]=2 1986 B8R1.2 OCC1=NOCCC1 MCULE-7754725295 [0,0,0,0,0,1|0,0,3]=4 1987 B8R1.2 OCC1C=CCCC1 MCULE-3264381346 [0,0,0,0,0,1|1,0,2]=4 1988 B8R1.2 OCC1C=CCCN1 MCULE-1476642397 [0,0,0,0,0,1|1,0,2]=4 1989 B8R1.2 OCC1CC=CCC1 MCULE-7843809650 [0,0,0,0,0,1|1,0,2]=4 1990 B8R1.2 OCC1CC=CCO1 MCULE-1009946564 [0,0,0,0,0,1|0,0,2]=3 1991 B8R1.2 OCC1CCC=CO1 MCULE-7646685626 [0,0,0,0,0,1|0,0,2]=3 1992 B8R1.2 OC[C@H]1CCC=CO1 MCULE-3753346509 [0,0,0,0,0,1|0,0,2]=3 1993 B8R1.2 ONC1=CC=CC=C1 MCULE-3427020890 [0,0,0,0,0,1|2,0,0]=3 1994 B8R1.2 ONC1=CC=CC=C1 MCULE-7135499568 [0,0,0,0,0,1|2,0,0]=3 1995 B8R1.2 SCC1=CC=CC=C1 MCULE-9652039678 [0,0,0,0,0,1|1,1,0]=3 1996 B8R1.2 SCC1=CC=CN=C1 MCULE-5263560731 [0,0,0,0,0,1|1,1,0]=3 1997 B8R1.2 SCC1=CC=NC=C1 MCULE-7872505176 [0,0,0,0,0,1|1,1,0]=3 1998 B8R1.2 SCC1=NC=CC=C1 MCULE-7174005309 [0,0,0,0,0,1|1,1,0]=3 1999 B8R1.2 SCC1=NC=CC=N1 MCULE-8662158892 [0,0,0,0,0,1|1,1,0]=3 2000 B8R1.2 SCC1=NC=CN=C1 MCULE-3739570373 [0,0,0,0,0,1|1,1,0]=3 2001 B8R1.2 [NH3+]NC1=CC=CC=C1 MCULE-9411272041 [0,0,0,0,0,1|3,0,0]=4 2002 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [1,0,1,0,0,0|1,0,1]=4 2003 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,1,0,0,0|0,0,2]=4 2004 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,1,0,0,0|0,0,2]=4 2005 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,0,1,0,0,0|0,0,2]=4 2006 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [1,0,1,0,0,0|1,0,1]=4 2007 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,1,0,0,0|0,0,2]=4 2008 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,1,0,0,0|1,0,0]=3 2009 B5R0.1 C=CC=C(Cl)Cl MCULE-3787858961 [1,0,1,0,0,0|2,0,0]=4 2010 B5R0.1 C=CCB(O)O MCULE-2306600658 [1,0,1,0,0,0|1,0,1]=4 2011 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,1,0,0,0|1,0,0]=3 2012 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,1,0,0,0|0,0,2]=4 2013 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,0,1,0,0,0|0,0,2]=4 2014 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,0,1,0,0,0|0,0,2]=4 2015 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,0,1,0,0,0|0,0,2]=4 2016 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,0,1,0,0,0|0,0,2]=4 2017 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,0,1,0,0,0|0,0,2]=4 2018 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,0,1,0,0,0|0,0,2]=4 2019 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,1,0,0,0|1,0,1]=4 2020 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,1,0,0,0|1,0,0]=3 2021 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [1,0,1,0,0,0|1,0,1]=4 2022 B5R0.1 C=COC(C)C MCULE-6339383821 [1,0,1,0,0,0|0,0,2]=4 2023 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,1,0,0,0|2,0,0]=4 2024 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,1,0,0,0|2,0,0]=4 2025 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,1,0,0,0|2,0,0]=4 2026 B5R0.1 CC=CB(O)O MCULE-7417903348 [1,0,1,0,0,0|1,0,1]=4 2027 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,1,0,0,0|0,0,2]=4 2028 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,1,0,0,0|0,0,2]=4 2029 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,0,1,0,0,0|0,0,2]=4 2030 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,1,0,0,0|1,0,1]=4 2031 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,1,0,0,0|1,0,1]=4 2032 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,1,0,0,0|1,0,1]=4 2033 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,1,0,0,0|1,0,1]=4 2034 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,1,0,0,0|1,0,1]=4 2035 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,1,0,0,0|1,0,1]=4 2036 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,1,0,0,0|1,0,1]=4 2037 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,1,0,0,0|1,0,1]=4 2038 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,1,0,0,0|1,0,1]=4 2039 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [1,0,1,0,0,0|1,0,0]=3 2040 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,0,1,0,0,0|0,0,2]=4 2041 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,0,1,0,0,0|0,0,2]=4 2042 B5R0.2 C=C/C=C/C=C MCULE-2938938774 [1,0,1,0,0,0|1,0,1]=4 2043 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,0,1,0,0,0|1,0,0]=3 2044 B5R0.2 C=C=CCCO MCULE-1054355649 [1,0,1,0,0,0|0,0,2]=4 2045 B5R0.2 C=C=COC=C MCULE-3691748324 [1,0,1,0,0,0|0,0,2]=4 2046 B5R0.2 C=CC#CCO MCULE-5199716906 [1,0,1,0,0,0|0,0,2]=4 2047 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,0,1,0,0,0|1,0,1]=4 2048 B5R0.2 C=CCC=CC MCULE-8643449832 [1,0,1,0,0,0|1,0,1]=4 2049 B5R0.2 C=CCCCO MCULE-5946342321 [1,0,1,0,0,0|0,0,2]=4 2050 B5R0.2 C=CCOC=C MCULE-7085070702 [1,0,1,0,0,0|0,0,2]=4 2051 B5R0.2 C=CCOC=O MCULE-4161785970 [1,0,1,0,0,0|0,0,2]=4 2052 B5R0.2 C=CCOCC MCULE-4363356618 [1,0,1,0,0,0|0,0,2]=4 2053 B5R0.2 C=CCOCCl MCULE-6656252526 [1,0,1,0,0,0|1,0,1]=4 2054 B5R0.2 C=CCONC MCULE-4537899476 [1,0,1,0,0,0|1,0,1]=4 2055 B5R0.2 C=CCONC MCULE-9645204142 [1,0,1,0,0,0|1,0,1]=4 2056 B5R0.2 C=COCCC MCULE-4423853666 [1,0,1,0,0,0|1,0,1]=4 2057 B5R0.2 C=COCCCl MCULE-7782311030 [1,0,1,0,0,0|1,0,1]=4 2058 B5R0.2 C=COCCN MCULE-8052872924 [1,0,1,0,0,0|1,0,1]=4 2059 B5R0.2 C=COCCN MCULE-8496820259 [1,0,1,0,0,0|1,0,1]=4 2060 B5R0.2 C=COCCO MCULE-9383372818 [1,0,1,0,0,0|0,0,1]=3 2061 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,1,0,0,0|0,0,2]=4 2062 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,0,1,0,0,0|0,0,2]=4 2063 B5R0.2 CC=CC=CC MCULE-7702675183 [1,0,1,0,0,0|1,0,0]=3 2064 B5R0.2 CC=CCCO MCULE-4302367089 [1,0,1,0,0,0|0,0,2]=4 2065 B5R0.2 CC=COCC MCULE-1473170404 [1,0,1,0,0,0|0,0,2]=4 2066 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,1,0,0,0|0,0,2]=4 2067 B5R0.2 CCC=CCO MCULE-5633399984 [1,0,1,0,0,0|0,0,2]=4 2068 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,0,1,0,0,0|1,0,1]=4 2069 B5R0.2 CCOC=CBr MCULE-5241125671 [1,0,1,0,0,0|1,0,1]=4 2070 B5R0.2 NCC=CCO MCULE-4993379992 [1,0,1,0,0,0|1,0,1]=4 2071 B5R0.2 O/N=C/C=N/O MCULE-6032089277 [1,0,1,0,0,0|2,0,0]=4 2072 B5R0.2 O=COCCO MCULE-1922672843 [1,0,1,0,0,0|1,0,1]=4 2073 B5R0.2 OC/C=C/CCl MCULE-4378785113 [1,0,1,0,0,0|1,0,1]=4 2074 B5R0.2 OC/C=C/CO MCULE-4752272005 [1,0,1,0,0,0|0,0,1]=3 2075 B5R0.2 OC/C=C\CO MCULE-2695577582 [1,0,1,0,0,0|0,0,1]=3 2076 B5R0.2 OC=CCCBr MCULE-3964604828 [1,0,1,0,0,0|1,0,1]=4 2077 B5R0.2 OC=CCCBr MCULE-5728835735 [1,0,1,0,0,0|1,0,1]=4 2078 B5R0.2 OCC=CCCl MCULE-7597942117 [1,0,1,0,0,0|1,0,1]=4 2079 B5R0.2 OCC=CCO MCULE-9559211408 [1,0,1,0,0,0|0,0,1]=3 2080 B5R0.2 ON=CC=NO MCULE-4643147888 [1,0,1,0,0,0|2,0,0]=4 2081 B5R0.3 C=C(C#N)CO MCULE-4330549804 [1,0,1,0,0,0|1,0,1]=4 2082 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,1,0,0,0|2,0,0]=4 2083 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,0,1,0,0,0|0,0,2]=4 2084 B5R0.3 C=C(CO)CBr MCULE-9563589949 [1,0,1,0,0,0|1,0,1]=4 2085 B5R0.3 C=C(CO)CO MCULE-2682601949 [1,0,1,0,0,0|1,0,1]=4 2086 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,0,1,0,0,0|1,0,1]=4 2087 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,0,1,0,0,0|1,0,1]=4 2088 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,0,1,0,0,0|1,0,1]=4 2089 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,1,0,0,0|1,0,1]=4 2090 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,0,1,0,0,0|1,0,1]=4 2091 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,1,0,0,0|0,0,2]=4 2092 B5R0.3 C=CC(C)ON MCULE-2385478473 [1,0,1,0,0,0|1,0,1]=4 2093 B5R0.3 C=CC(C)ON MCULE-3428023923 [1,0,1,0,0,0|1,0,1]=4 2094 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,0,1,0,0,0|1,0,1]=4 2095 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,0,1,0,0,0|1,0,1]=4 2096 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,0,1,0,0,0|1,0,1]=4 2097 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,0,1,0,0,0|1,0,1]=4 2098 B5R0.3 C=CC(O)C=C MCULE-7283842025 [1,0,1,0,0,0|1,0,1]=4 2099 B5R0.3 C=CC(O)CBr MCULE-3538023814 [1,0,1,0,0,0|1,0,1]=4 2100 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,0,1,0,0,0|1,0,1]=4 2101 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,0,1,0,0,0|1,0,1]=4 2102 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,0,1,0,0,0|0,0,1]=3 2103 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,0,1,0,0,0|1,0,1]=4 2104 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,0,1,0,0,0|1,0,1]=4 2105 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,0,1,0,0,0|1,0,1]=4 2106 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,0,1,0,0,0|1,0,1]=4 2107 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,0,1,0,0,0|0,0,1]=3 2108 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,0,1,0,0,0|1,0,1]=4 2109 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,0,1,0,0,0|1,0,1]=4 2110 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,0,1,0,0,0|1,0,1]=4 2111 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,0,1,0,0,0|1,0,1]=4 2112 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,0,1,0,0,0|0,0,1]=3 2113 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,0,1,0,0,0|0,0,1]=3 2114 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,0,1,0,0,0|1,0,1]=4 2115 B5R0.3 COC(=O)CO MCULE-8734582763 [1,0,1,0,0,0|1,0,1]=4 2116 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,1,0,0,0|1,0,1]=4 2117 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,0,1,0,0,0|1,0,1]=4 2118 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,0,1,0,0,0|1,0,1]=4 2119 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,0,1,0,0,0|1,0,1]=4 2120 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,0,1,0,0,0|1,0,1]=4 2121 B5R1.1 C1=CCC=C1 MCULE-1776679581 [2,0,0,0,0,0|1,0,0]=3 2122 B5R1.1 C1=CCOC1 MCULE-1252378718 [2,0,0,0,0,0|0,0,2]=4 2123 B5R1.1 C1=CNC=C1 MCULE-7417495535 [2,0,0,0,0,0|1,0,0]=3 2124 B5R1.1 C1=CNC=N1 MCULE-1256901064 [2,0,0,0,0,0|2,0,0]=4 2125 B5R1.1 C1=CNC=N1 MCULE-1410806694 [2,0,0,0,0,0|2,0,0]=4 2126 B5R1.1 C1=CNC=N1 MCULE-5649243123 [2,0,0,0,0,0|2,0,0]=4 2127 B5R1.1 C1=CNC=N1 MCULE-6335507586 [2,0,0,0,0,0|2,0,0]=4 2128 B5R1.1 C1=CNN=C1 MCULE-9342475145 [2,0,0,0,0,0|2,0,0]=4 2129 B5R1.1 C1=COC=C1 MCULE-6076190179 [2,0,0,0,0,0|0,0,0]=2 2130 B5R1.1 C1=COC=N1 MCULE-4239266587 [2,0,0,0,0,0|1,0,0]=3 2131 B5R1.1 C1=COCC1 MCULE-7714726225 [2,0,0,0,0,0|0,0,2]=4 2132 B5R1.1 C1=CON=C1 MCULE-4177650025 [2,0,0,0,0,0|1,0,0]=3 2133 B5R1.1 C1=CSC=C1 MCULE-5759025979 [2,0,0,0,0,0|0,1,0]=3 2134 B5R1.1 C1=CSC=N1 MCULE-2839580990 [2,0,0,0,0,0|1,1,0]=4 2135 B5R1.1 C1=CSN=C1 MCULE-7711497319 [2,0,0,0,0,0|1,1,0]=4 2136 B5R1.1 C1=C[N-]C=N1 MCULE-2590868668 [2,0,0,0,0,0|2,0,0]=4 2137 B5R1.1 C1=C[N-]C=N1 MCULE-7665637014 [2,0,0,0,0,0|2,0,0]=4 2138 B5R1.1 C1=C[Se]C=C1 MCULE-2438977476 [2,0,0,0,0,0|0,1,0]=3 2139 B5R1.1 C1=NN=CO1 MCULE-2512252204 [2,0,0,0,0,0|2,0,0]=4 2140 B7R0.3 C=CCC[C@@H](O)CO MCULE-6352864696 [0,1,1,0,0,0|0,0,2]=4 2141 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,1,1,0,0,0|0,0,2]=4 2142 B7R0.3 C=CCOC(=O)CBr MCULE-1915528510 [0,1,1,0,0,0|2,0,0]=4 2143 B7R0.3 C=CCOC(=O)CCl MCULE-4722834512 [0,1,1,0,0,0|2,0,0]=4 2144 B7R0.3 C=CCOC(=O)CI MCULE-1155914135 [0,1,1,0,0,0|2,0,0]=4 2145 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [0,1,1,0,0,0|2,0,0]=4 2146 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [0,1,1,0,0,0|2,0,0]=4 2147 B7R0.3 C=CCOC(=O)CS MCULE-3191036289 [0,1,1,0,0,0|1,1,0]=4 2148 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [0,1,1,0,0,0|0,0,2]=4 2149 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [0,1,1,0,0,0|1,0,1]=4 2150 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [0,1,1,0,0,0|1,0,1]=4 2151 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [0,1,1,0,0,0|1,0,1]=4 2152 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,1,1,0,0,0|1,0,1]=4 2153 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,1,1,0,0,0|2,0,0]=4 2154 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [0,1,1,0,0,0|0,0,2]=4 2155 B7R0.1 C=CCCOCCO MCULE-5369849290 [0,1,1,0,0,0|0,0,2]=4 2156 B7R0.1 C=CCOCCOC MCULE-7363927527 [0,1,1,0,0,0|0,0,2]=4 2157 B7R0.1 CCC=CC=CC=O MCULE-2064802795 [0,1,1,0,0,0|1,0,1]=4 2158 B7R0.1 CCC=CC=CCO MCULE-7908131221 [0,1,1,0,0,0|1,0,0]=3 2159 B7R0.1 OCCC=CCCO MCULE-7933051592 [0,1,1,0,0,0|0,0,2]=4 2160 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,1,1,0,0,0|1,0,1]=4 2161 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,1,1,0,0,0|1,0,1]=4 2162 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [0,1,1,0,0,0|1,0,1]=4 2163 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [0,1,1,0,0,0|1,0,1]=4 2164 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [0,1,1,0,0,0|1,0,1]=4 2165 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,1,1,0,0,0|1,0,1]=4 2166 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,1,1,0,0,0|1,0,1]=4 2167 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,1,1,0,0,0|2,0,0]=4 2168 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,1,1,0,0,0|2,0,0]=4 2169 B7R1.2 BrC1=CC=C(O1)Br MCULE-3006502201 [1,1,0,0,0,0|1,0,0]=3 2170 B7R1.2 BrC1=CC=C(S1)Br MCULE-6862608005 [1,1,0,0,0,0|1,1,0]=4 2171 B7R1.2 BrC1=CC=C(S1)I MCULE-4509876949 [1,1,0,0,0,0|1,1,0]=4 2172 B7R1.2 BrC1=CC=C([Se]1)Br MCULE-8611369975 [1,1,0,0,0,0|1,1,0]=4 2173 B7R1.2 BrC1=COC(=C1)Br MCULE-2229692941 [1,1,0,0,0,0|1,0,0]=3 2174 B7R1.2 BrC1=COC(=N1)Br MCULE-6704583546 [1,1,0,0,0,0|2,0,0]=4 2175 B7R1.2 BrC1=CSC(=C1)Br MCULE-3719103465 [1,1,0,0,0,0|1,1,0]=4 2176 B7R1.2 BrC1=CSC(=C1)I MCULE-3658414856 [1,1,0,0,0,0|1,1,0]=4 2177 B7R1.2 BrC1=NC=C(O1)I MCULE-3868467296 [1,1,0,0,0,0|2,0,0]=4 2178 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [1,1,0,0,0,0|0,0,1]=3 2179 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [1,1,0,0,0,0|0,0,0]=2 2180 B7R1.2 CC1=CC(=CS1)Br MCULE-9701843608 [1,1,0,0,0,0|0,1,0]=3 2181 B7R1.2 CC1=CC(=CS1)Cl MCULE-1661832667 [1,1,0,0,0,0|0,1,0]=3 2182 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [1,1,0,0,0,0|0,1,0]=3 2183 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [1,1,0,0,0,0|0,1,0]=3 2184 B7R1.2 CC1=CC(=NN1)Br MCULE-1516612696 [1,1,0,0,0,0|2,0,0]=4 2185 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [1,1,0,0,0,0|2,0,0]=4 2186 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [1,1,0,0,0,0|2,0,0]=4 2187 B7R1.2 CC1=CC(=NN1)F MCULE-1447632064 [1,1,0,0,0,0|2,0,0]=4 2188 B7R1.2 CC1=CC(=NN1)F MCULE-6096639447 [1,1,0,0,0,0|2,0,0]=4 2189 B7R1.2 CC1=CC(=NN1)I MCULE-9212614137 [1,1,0,0,0,0|2,0,0]=4 2190 B7R1.2 CC1=CC(=NO1)Br MCULE-8203630178 [1,1,0,0,0,0|1,0,0]=3 2191 B7R1.2 CC1=CC(=NO1)C MCULE-5128459474 [1,1,0,0,0,0|1,0,0]=3 2192 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [1,1,0,0,0,0|1,0,0]=3 2193 B7R1.2 CC1=CC(=NS1)N MCULE-2006841208 [1,1,0,0,0,0|1,1,0]=4 2194 B7R1.2 CC1=CC(=NS1)N MCULE-5644544748 [1,1,0,0,0,0|1,1,0]=4 2195 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,1,0,0,0,0|1,0,1]=4 2196 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,1,0,0,0,0|0,0,1]=3 2197 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [1,1,0,0,0,0|2,0,0]=4 2198 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,1,0,0,0,0|1,0,0]=3 2199 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,1,0,0,0,0|0,0,2]=4 2200 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [1,1,0,0,0,0|1,0,0]=3 2201 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [1,1,0,0,0,0|1,0,0]=3 2202 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [1,1,0,0,0,0|0,0,0]=2 2203 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [1,1,0,0,0,0|0,0,0]=2 2204 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [1,1,0,0,0,0|0,0,0]=2 2205 B7R1.2 CC1=CC=C(S1)Br MCULE-9870970320 [1,1,0,0,0,0|0,1,0]=3 2206 B7R1.2 CC1=CC=C(S1)C MCULE-6651491312 [1,1,0,0,0,0|0,1,0]=3 2207 B7R1.2 CC1=CC=C(S1)C MCULE-7283016932 [1,1,0,0,0,0|0,1,0]=3 2208 B7R1.2 CC1=CC=C(S1)Cl MCULE-9463412923 [1,1,0,0,0,0|0,1,0]=3 2209 B7R1.2 CC1=CC=C(S1)I MCULE-3339364572 [1,1,0,0,0,0|0,1,0]=3 2210 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [1,1,0,0,0,0|0,1,0]=3 2211 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [1,1,0,0,0,0|0,1,0]=3 2212 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [1,1,0,0,0,0|0,1,0]=3 2213 B7R1.2 CC1=CC=C(S1)S MCULE-9072205252 [1,1,0,0,0,0|0,1,0]=3 2214 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,1,0,0,0,0|0,0,1]=3 2215 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,1,0,0,0,0|0,0,1]=3 2216 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [1,1,0,0,0,0|0,1,1]=4 2217 B7R1.2 CC1=CN(C=N1)C MCULE-2469544518 [1,1,0,0,0,0|2,0,0]=4 2218 B7R1.2 CC1=CN(N=C1)C MCULE-7303683364 [1,1,0,0,0,0|2,0,0]=4 2219 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [1,1,0,0,0,0|2,0,0]=4 2220 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [1,1,0,0,0,0|2,0,0]=4 2221 B7R1.2 CC1=CN=C(O1)Br MCULE-3952379614 [1,1,0,0,0,0|1,0,0]=3 2222 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [1,1,0,0,0,0|1,0,0]=3 2223 B7R1.2 CC1=CN=C(O1)Cl MCULE-1762464687 [1,1,0,0,0,0|1,0,0]=3 2224 B7R1.2 CC1=CN=C(O1)Cl MCULE-3921580627 [1,1,0,0,0,0|1,0,0]=3 2225 B7R1.2 CC1=CN=C(O1)I MCULE-4568617242 [1,1,0,0,0,0|1,0,0]=3 2226 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [1,1,0,0,0,0|1,0,0]=3 2227 B7R1.2 CC1=CN=C(S1)Br MCULE-5024376122 [1,1,0,0,0,0|1,1,0]=4 2228 B7R1.2 CC1=CN=C(S1)C MCULE-9725720944 [1,1,0,0,0,0|1,1,0]=4 2229 B7R1.2 CC1=CN=C(S1)Cl MCULE-4868939891 [1,1,0,0,0,0|1,1,0]=4 2230 B7R1.2 CC1=CN=C(S1)I MCULE-2496302523 [1,1,0,0,0,0|1,1,0]=4 2231 B7R1.2 CC1=CN=C(S1)N MCULE-5408259983 [1,1,0,0,0,0|1,1,0]=4 2232 B7R1.2 CC1=CN=C(S1)N MCULE-8973432865 [1,1,0,0,0,0|1,1,0]=4 2233 B7R1.2 CC1=CN=C(S1)O MCULE-4228024619 [1,1,0,0,0,0|1,1,0]=4 2234 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [1,1,0,0,0,0|1,0,0]=3 2235 B7R1.2 CC1=CNC(=N1)Br MCULE-2148866894 [1,1,0,0,0,0|2,0,0]=4 2236 B7R1.2 CC1=CNC(=N1)C MCULE-1883967566 [1,1,0,0,0,0|2,0,0]=4 2237 B7R1.2 CC1=CNC(=N1)I MCULE-7172464469 [1,1,0,0,0,0|2,0,0]=4 2238 B7R1.2 CC1=CNC(=N1)N MCULE-2945170552 [1,1,0,0,0,0|2,0,0]=4 2239 B7R1.2 CC1=CNC(=N1)S MCULE-1670645296 [1,1,0,0,0,0|2,0,0]=4 2240 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [1,1,0,0,0,0|2,0,0]=4 2241 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [1,1,0,0,0,0|0,0,0]=2 2242 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [1,1,0,0,0,0|2,0,0]=4 2243 B7R1.2 CC1=COC(=N1)Br MCULE-3628895128 [1,1,0,0,0,0|2,0,0]=4 2244 B7R1.2 CC1=COC(=N1)C MCULE-3626673481 [1,1,0,0,0,0|1,0,0]=3 2245 B7R1.2 CC1=COC(=N1)Cl MCULE-8812650506 [1,1,0,0,0,0|2,0,0]=4 2246 B7R1.2 CC1=COC(=N1)S MCULE-7659225823 [1,1,0,0,0,0|1,1,0]=4 2247 B7R1.2 CC1=CSC(=C1)Br MCULE-1301546959 [1,1,0,0,0,0|1,1,0]=4 2248 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [1,1,0,0,0,0|0,1,0]=3 2249 B7R1.2 CC1=CSC(=C1)Cl MCULE-8287471659 [1,1,0,0,0,0|1,1,0]=4 2250 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [1,1,0,0,0,0|1,1,0]=4 2251 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [1,1,0,0,0,0|1,1,0]=4 2252 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [1,1,0,0,0,0|0,1,0]=3 2253 B7R1.2 CC1=CSC(=N1)Br MCULE-2425418650 [1,1,0,0,0,0|2,0,0]=4 2254 B7R1.2 CC1=CSC(=N1)C MCULE-2033387460 [1,1,0,0,0,0|1,1,0]=4 2255 B7R1.2 CC1=CSC(=N1)Cl MCULE-4864147999 [1,1,0,0,0,0|2,0,0]=4 2256 B7R1.2 CC1=CSC(=N1)F MCULE-7988737526 [1,1,0,0,0,0|2,0,0]=4 2257 B7R1.2 CC1=CSC(=N1)I MCULE-5254623055 [1,1,0,0,0,0|2,0,0]=4 2258 B7R1.2 CC1=CSC(=N1)N MCULE-3421653397 [1,1,0,0,0,0|2,0,0]=4 2259 B7R1.2 CC1=CSC(=N1)N MCULE-6034667920 [1,1,0,0,0,0|2,0,0]=4 2260 B7R1.2 CC1=CSC(=N1)S MCULE-4701705565 [1,1,0,0,0,0|2,0,0]=4 2261 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [1,1,0,0,0,0|2,0,0]=4 2262 B7R1.2 CC1=NC(=CN1)Br MCULE-7128800979 [1,1,0,0,0,0|2,0,0]=4 2263 B7R1.2 CC1=NC(=CN1)I MCULE-3668066625 [1,1,0,0,0,0|2,0,0]=4 2264 B7R1.2 CC1=NC(=CO1)Br MCULE-4921013012 [1,1,0,0,0,0|1,0,0]=3 2265 B7R1.2 CC1=NC(=CS1)Br MCULE-7210746643 [1,1,0,0,0,0|1,1,0]=4 2266 B7R1.2 CC1=NC(=CS1)N MCULE-3086911944 [1,1,0,0,0,0|1,1,0]=4 2267 B7R1.2 CC1=NC(=CS1)N MCULE-4543325094 [1,1,0,0,0,0|1,1,0]=4 2268 B7R1.2 CC1=NC(=CS1)O MCULE-2657600711 [1,1,0,0,0,0|1,1,0]=4 2269 B7R1.2 CC1=NC(=NO1)Br MCULE-7579897482 [1,1,0,0,0,0|2,0,0]=4 2270 B7R1.2 CC1=NC(=NO1)Cl MCULE-6633327000 [1,1,0,0,0,0|2,0,0]=4 2271 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [1,1,0,0,0,0|2,0,0]=4 2272 B7R1.2 CC1=NC=C(O1)Br MCULE-1770948017 [1,1,0,0,0,0|1,0,0]=3 2273 B7R1.2 CC1=NC=C(O1)Br MCULE-4635846619 [1,1,0,0,0,0|1,0,0]=3 2274 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [1,1,0,0,0,0|1,0,0]=3 2275 B7R1.2 CC1=NC=C(S1)Br MCULE-7258487155 [1,1,0,0,0,0|1,1,0]=4 2276 B7R1.2 CC1=NC=C(S1)Cl MCULE-5653448054 [1,1,0,0,0,0|1,1,0]=4 2277 B7R1.2 CC1=NC=C(S1)I MCULE-1452945094 [1,1,0,0,0,0|1,1,0]=4 2278 B7R1.2 CC1=NC=C(S1)N MCULE-2117348978 [1,1,0,0,0,0|1,1,0]=4 2279 B7R1.2 CC1=NC=C(S1)N MCULE-3448900159 [1,1,0,0,0,0|1,1,0]=4 2280 B7R1.2 CC1=NN(C=C1)C MCULE-4991402354 [1,1,0,0,0,0|2,0,0]=4 2281 B7R1.2 CC1=NN=C(O1)Br MCULE-4777799057 [1,1,0,0,0,0|2,0,0]=4 2282 B7R1.2 CC1=NN=C(O1)C MCULE-8675560585 [1,1,0,0,0,0|2,0,0]=4 2283 B7R1.2 CC1=NN=C(O1)Cl MCULE-9822886021 [1,1,0,0,0,0|2,0,0]=4 2284 B7R1.2 CC1=NN=C(O1)I MCULE-5284769897 [1,1,0,0,0,0|2,0,0]=4 2285 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [1,1,0,0,0,0|2,0,0]=4 2286 B7R1.2 CC1=NN=C(O1)O MCULE-8136744513 [1,1,0,0,0,0|2,0,0]=4 2287 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [1,1,0,0,0,0|2,0,0]=4 2288 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [1,1,0,0,0,0|2,0,0]=4 2289 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [1,1,0,0,0,0|2,0,0]=4 2290 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [1,1,0,0,0,0|2,0,0]=4 2291 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [1,1,0,0,0,0|2,0,0]=4 2292 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [1,1,0,0,0,0|2,0,0]=4 2293 B7R1.2 CC1=NNC(=S)O1 MCULE-1357179698 [1,1,0,0,0,0|2,0,0]=4 2294 B7R1.2 CC1=NOC(=C1)Br MCULE-6794061121 [1,1,0,0,0,0|2,0,0]=4 2295 B7R1.2 CC1=NOC(=C1)I MCULE-5795495546 [1,1,0,0,0,0|2,0,0]=4 2296 B7R1.2 CC1=NOC(=C1)N MCULE-2719601999 [1,1,0,0,0,0|2,0,0]=4 2297 B7R1.2 CC1=NOC(=C1)O MCULE-4469914138 [1,1,0,0,0,0|1,0,0]=3 2298 B7R1.2 CC1=NOC(=C1)[O-] MCULE-1851467961 [1,1,0,0,0,0|1,0,1]=4 2299 B7R1.2 CC1=NOC(=N1)O MCULE-2537387972 [1,1,0,0,0,0|2,0,0]=4 2300 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [1,1,0,0,0,0|2,0,0]=4 2301 B7R1.2 CC1=NSC(=C1)Br MCULE-5311430268 [1,1,0,0,0,0|2,0,0]=4 2302 B7R1.2 CC1=NSC(=C1)Cl MCULE-3765249333 [1,1,0,0,0,0|2,0,0]=4 2303 B7R1.2 CC1=NSC(=C1)I MCULE-9076472601 [1,1,0,0,0,0|2,0,0]=4 2304 B7R1.2 CC1=NSC(=C1)N MCULE-1333657417 [1,1,0,0,0,0|2,0,0]=4 2305 B7R1.2 CC1=NSC(=C1)N MCULE-4917388600 [1,1,0,0,0,0|2,0,0]=4 2306 B7R1.2 CC1=NSC(=C1)N MCULE-8270730297 [1,1,0,0,0,0|2,0,0]=4 2307 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [1,1,0,0,0,0|0,0,1]=3 2308 B7R1.2 CN1C=C(C=N1)Br MCULE-1777078366 [1,1,0,0,0,0|2,0,0]=4 2309 B7R1.2 CN1C=C(C=N1)Cl MCULE-7422425633 [1,1,0,0,0,0|2,0,0]=4 2310 B7R1.2 CN1C=C(C=N1)F MCULE-3479168229 [1,1,0,0,0,0|2,0,0]=4 2311 B7R1.2 CN1C=C(C=N1)I MCULE-9878259108 [1,1,0,0,0,0|2,0,0]=4 2312 B7R1.2 CN1C=C(C=N1)N MCULE-7517990417 [1,1,0,0,0,0|2,0,0]=4 2313 B7R1.2 CN1C=C(C=N1)N MCULE-7697659912 [1,1,0,0,0,0|2,0,0]=4 2314 B7R1.2 CN1C=C(C=N1)N MCULE-9265648600 [1,1,0,0,0,0|2,0,0]=4 2315 B7R1.2 CN1C=C(C=N1)O MCULE-5086680033 [1,1,0,0,0,0|2,0,0]=4 2316 B7R1.2 CN1C=C(C=N1)O MCULE-5814110625 [1,1,0,0,0,0|2,0,0]=4 2317 B7R1.2 CN1C=C(C=N1)S MCULE-4948890589 [1,1,0,0,0,0|2,0,0]=4 2318 B7R1.2 CN1C=CC(=C1)Br MCULE-2020278293 [1,1,0,0,0,0|2,0,0]=4 2319 B7R1.2 CN1C=CC(=C1)N MCULE-2805426691 [1,1,0,0,0,0|2,0,0]=4 2320 B7R1.2 CN1C=CC(=C1)N MCULE-3443863095 [1,1,0,0,0,0|2,0,0]=4 2321 B7R1.2 CN1C=CC(=C1)O MCULE-2504745844 [1,1,0,0,0,0|2,0,0]=4 2322 B7R1.2 CN1C=CC(=N1)Br MCULE-2140706128 [1,1,0,0,0,0|2,0,0]=4 2323 B7R1.2 CN1C=CC(=N1)Cl MCULE-7765518388 [1,1,0,0,0,0|2,0,0]=4 2324 B7R1.2 CN1C=CC(=N1)F MCULE-7853118859 [1,1,0,0,0,0|2,0,0]=4 2325 B7R1.2 CN1C=CC(=N1)I MCULE-4809829389 [1,1,0,0,0,0|2,0,0]=4 2326 B7R1.2 CN1C=CC(=N1)N MCULE-3298296740 [1,1,0,0,0,0|2,0,0]=4 2327 B7R1.2 CN1C=CC(=N1)N MCULE-8862989081 [1,1,0,0,0,0|2,0,0]=4 2328 B7R1.2 CN1C=CC(=N1)O MCULE-5118805950 [1,1,0,0,0,0|2,0,0]=4 2329 B7R1.2 CN1C=CC(=N1)S MCULE-9185539300 [1,1,0,0,0,0|2,0,0]=4 2330 B7R1.2 ClC1=CC(=CS1)Br MCULE-7660145504 [1,1,0,0,0,0|1,1,0]=4 2331 B7R1.2 ClC1=CC=C(S1)Br MCULE-3423220666 [1,1,0,0,0,0|1,1,0]=4 2332 B7R1.2 ClC1=CC=C(S1)Cl MCULE-2157852642 [1,1,0,0,0,0|1,1,0]=4 2333 B7R1.2 ClC1=CC=C(S1)I MCULE-5479465033 [1,1,0,0,0,0|1,1,0]=4 2334 B7R1.2 FC1=CC=C(S1)Br MCULE-1487822013 [1,1,0,0,0,0|1,1,0]=4 2335 B7R1.2 FC1=CC=C(S1)I MCULE-7197826580 [1,1,0,0,0,0|1,1,0]=4 2336 B7R1.2 FC1=CSC(=C1)Br MCULE-7059165004 [1,1,0,0,0,0|1,1,0]=4 2337 B7R1.2 IC1=CC=C(S1)I MCULE-1417836830 [1,1,0,0,0,0|1,1,0]=4 2338 B7R1.2 IC1=COC(=N1)I MCULE-5488834762 [1,1,0,0,0,0|2,0,0]=4 2339 B7R1.2 NC1=CC(=CS1)Br MCULE-5266427375 [1,1,0,0,0,0|1,1,0]=4 2340 B7R1.2 NC1=CC(=CS1)Br MCULE-7059699215 [1,1,0,0,0,0|1,1,0]=4 2341 B7R1.2 NC1=CC(=CS1)Br MCULE-9539188304 [1,1,0,0,0,0|1,1,0]=4 2342 B7R1.2 NC1=CC(=CS1)Cl MCULE-1368435157 [1,1,0,0,0,0|1,1,0]=4 2343 B7R1.2 NC1=CC(=CS1)Cl MCULE-7305346902 [1,1,0,0,0,0|1,1,0]=4 2344 B7R1.2 NC1=CC(=NO1)O MCULE-4713053247 [1,1,0,0,0,0|2,0,0]=4 2345 B7R1.2 NC1=CC(=NO1)[O-] MCULE-7908089596 [1,1,0,0,0,0|2,0,0]=4 2346 B7R1.2 NC1=CC=C(S1)Br MCULE-3753190045 [1,1,0,0,0,0|1,1,0]=4 2347 B7R1.2 NC1=CC=C(S1)Br MCULE-8405320841 [1,1,0,0,0,0|1,1,0]=4 2348 B7R1.2 NC1=CC=C(S1)Cl MCULE-2899601281 [1,1,0,0,0,0|1,1,0]=4 2349 B7R1.2 NC1=CC=C(S1)Cl MCULE-4678133758 [1,1,0,0,0,0|1,1,0]=4 2350 B7R1.2 NC1=CC=C(S1)S MCULE-8625998911 [1,1,0,0,0,0|0,2,0]=4 2351 B7R1.2 NC1=CSC(=C1)Br MCULE-4419421889 [1,1,0,0,0,0|1,1,0]=4 2352 B7R1.2 NC1=CSC(=C1)Br MCULE-4824675898 [1,1,0,0,0,0|1,1,0]=4 2353 B7R1.2 NC1=CSC(=C1)Br MCULE-9713306865 [1,1,0,0,0,0|1,1,0]=4 2354 B7R1.2 NC1=CSC(=C1)Cl MCULE-1264261152 [1,1,0,0,0,0|1,1,0]=4 2355 B7R1.2 NC1=CSC(=C1)Cl MCULE-4907003251 [1,1,0,0,0,0|1,1,0]=4 2356 B7R1.2 NC1=NC(=CS1)O MCULE-3638877946 [1,1,0,0,0,0|2,0,0]=4 2357 B7R1.2 NC1=NOC(=N1)O MCULE-4783377241 [1,1,0,0,0,0|2,0,0]=4 2358 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [1,1,0,0,0,0|1,0,1]=4 2359 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,1,0,0,0,0|2,0,0]=4 2360 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [1,1,0,0,0,0|0,0,2]=4 2361 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [1,1,0,0,0,0|0,0,2]=4 2362 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [1,1,0,0,0,0|1,0,1]=4 2363 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [1,1,0,0,0,0|1,0,1]=4 2364 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [1,1,0,0,0,0|0,0,1]=3 2365 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [1,1,0,0,0,0|1,0,1]=4 2366 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [1,1,0,0,0,0|0,0,2]=4 2367 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [1,1,0,0,0,0|0,0,1]=3 2368 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [1,1,0,0,0,0|1,0,1]=4 2369 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [1,1,0,0,0,0|1,0,1]=4 2370 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [1,1,0,0,0,0|0,0,2]=4 2371 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [1,1,0,0,0,0|2,0,0]=4 2372 B7R1.2 OC1=CC=C(S1)Br MCULE-2888788322 [1,1,0,0,0,0|0,1,0]=3 2373 B7R1.2 OC1=NC(=CS1)Br MCULE-6006572224 [1,1,0,0,0,0|1,1,0]=4 2374 B7R1.2 ON1C=C(C=N1)Br MCULE-4381721976 [1,1,0,0,0,0|2,0,0]=4 2375 B7R1.2 ON1C=C(C=N1)I MCULE-1454680703 [1,1,0,0,0,0|2,0,0]=4 2376 B7R1.2 SC1=CC=C(S1)Cl MCULE-6453386121 [1,1,0,0,0,0|0,2,0]=4 2377 B7R1.4 BrC1=C(C=CS1)I MCULE-7141297814 [1,1,0,0,0,0|1,1,0]=4 2378 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [1,1,0,0,0,0|1,0,0]=3 2379 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [1,1,0,0,0,0|1,0,0]=3 2380 B7R1.4 BrC1=C(SC=C1)Br MCULE-8784672229 [1,1,0,0,0,0|1,1,0]=4 2381 B7R1.4 BrC1=C(SC=C1)I MCULE-2413290381 [1,1,0,0,0,0|1,1,0]=4 2382 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [1,1,0,0,0,0|0,0,0]=2 2383 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [1,1,0,0,0,0|0,0,0]=2 2384 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [1,1,0,0,0,0|0,0,0]=2 2385 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [1,1,0,0,0,0|0,0,0]=2 2386 B7R1.4 CC1=C(C=CS1)Br MCULE-6374195818 [1,1,0,0,0,0|0,1,0]=3 2387 B7R1.4 CC1=C(C=CS1)Cl MCULE-9362082266 [1,1,0,0,0,0|0,1,0]=3 2388 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [1,1,0,0,0,0|0,1,0]=3 2389 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [1,1,0,0,0,0|0,1,0]=3 2390 B7R1.4 CC1=C(C=NO1)Br MCULE-3480380556 [1,1,0,0,0,0|1,0,0]=3 2391 B7R1.4 CC1=C(C=NO1)I MCULE-1012314205 [1,1,0,0,0,0|1,0,0]=3 2392 B7R1.4 CC1=C(C=NO1)N MCULE-4982899453 [1,1,0,0,0,0|1,0,0]=3 2393 B7R1.4 CC1=C(C=NO1)N MCULE-8792251798 [1,1,0,0,0,0|1,0,0]=3 2394 B7R1.4 CC1=C(N=CN1)Br MCULE-4822078952 [1,1,0,0,0,0|2,0,0]=4 2395 B7R1.4 CC1=C(N=CO1)Br MCULE-5720800030 [1,1,0,0,0,0|1,0,0]=3 2396 B7R1.4 CC1=C(N=CO1)Br MCULE-6592849789 [1,1,0,0,0,0|1,0,0]=3 2397 B7R1.4 CC1=C(N=CS1)Br MCULE-3598899188 [1,1,0,0,0,0|1,1,0]=4 2398 B7R1.4 CC1=C(N=CS1)N MCULE-4599689544 [1,1,0,0,0,0|1,1,0]=4 2399 B7R1.4 CC1=C(N=CS1)N MCULE-6109505951 [1,1,0,0,0,0|1,1,0]=4 2400 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [1,1,0,0,0,0|1,0,0]=3 2401 B7R1.4 CC1=C(NC=N1)C MCULE-3430810073 [1,1,0,0,0,0|2,0,0]=4 2402 B7R1.4 CC1=C(NC=N1)C MCULE-5193092074 [1,1,0,0,0,0|2,0,0]=4 2403 B7R1.4 CC1=C(NC=N1)C MCULE-6091617996 [1,1,0,0,0,0|2,0,0]=4 2404 B7R1.4 CC1=C(NC=N1)Cl MCULE-6148548368 [1,1,0,0,0,0|2,0,0]=4 2405 B7R1.4 CC1=C(NC=N1)I MCULE-1624555725 [1,1,0,0,0,0|2,0,0]=4 2406 B7R1.4 CC1=C(NC=N1)N MCULE-8683874466 [1,1,0,0,0,0|2,0,0]=4 2407 B7R1.4 CC1=C(NC=N1)N MCULE-9896966586 [1,1,0,0,0,0|2,0,0]=4 2408 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [1,1,0,0,0,0|1,0,0]=3 2409 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [1,1,0,0,0,0|0,0,0]=2 2410 B7R1.4 CC1=C(OC=N1)Br MCULE-1847779575 [1,1,0,0,0,0|2,0,0]=4 2411 B7R1.4 CC1=C(OC=N1)Br MCULE-6842310823 [1,1,0,0,0,0|2,0,0]=4 2412 B7R1.4 CC1=C(OC=N1)C MCULE-6212214015 [1,1,0,0,0,0|1,0,0]=3 2413 B7R1.4 CC1=C(OC=N1)N MCULE-5764234577 [1,1,0,0,0,0|2,0,0]=4 2414 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [1,1,0,0,0,0|1,0,0]=3 2415 B7R1.4 CC1=C(ON=C1)N MCULE-1189999644 [1,1,0,0,0,0|2,0,0]=4 2416 B7R1.4 CC1=C(SC=C1)Br MCULE-3746729659 [1,1,0,0,0,0|1,1,0]=4 2417 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [1,1,0,0,0,0|0,1,0]=3 2418 B7R1.4 CC1=C(SC=C1)Cl MCULE-4683627316 [1,1,0,0,0,0|1,1,0]=4 2419 B7R1.4 CC1=C(SC=C1)I MCULE-4074297086 [1,1,0,0,0,0|1,1,0]=4 2420 B7R1.4 CC1=C(SC=C1)S MCULE-6807943440 [1,1,0,0,0,0|0,2,0]=4 2421 B7R1.4 CC1=C(SC=N1)Br MCULE-8419392309 [1,1,0,0,0,0|2,0,0]=4 2422 B7R1.4 CC1=C(SC=N1)C MCULE-4501873392 [1,1,0,0,0,0|1,1,0]=4 2423 B7R1.4 CC1=C(SC=N1)N MCULE-1396035800 [1,1,0,0,0,0|2,0,0]=4 2424 B7R1.4 CC1=C(SC=N1)N MCULE-3965111306 [1,1,0,0,0,0|2,0,0]=4 2425 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [1,1,0,0,0,0|1,0,0]=3 2426 B7R1.4 CC1=CC=NN1C MCULE-9285969175 [1,1,0,0,0,0|2,0,0]=4 2427 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [1,1,0,0,0,0|0,0,2]=4 2428 B7R1.4 CC1=CN=CN1C MCULE-8637470675 [1,1,0,0,0,0|2,0,0]=4 2429 B7R1.4 CC1=CNC=C1C MCULE-4758724479 [1,1,0,0,0,0|2,0,0]=4 2430 B7R1.4 CC1=CNN=C1C MCULE-2020565239 [1,1,0,0,0,0|2,0,0]=4 2431 B7R1.4 CC1=CNN=C1C MCULE-5379672633 [1,1,0,0,0,0|2,0,0]=4 2432 B7R1.4 CC1=CNN=C1C MCULE-8376501296 [1,1,0,0,0,0|2,0,0]=4 2433 B7R1.4 CC1=COC=C1Br MCULE-5316317633 [1,1,0,0,0,0|2,0,0]=4 2434 B7R1.4 CC1=CSC=C1Br MCULE-5733157832 [1,1,0,0,0,0|2,0,0]=4 2435 B7R1.4 CC1=CSC=C1C MCULE-2505833521 [1,1,0,0,0,0|2,0,0]=4 2436 B7R1.4 CC1=CSC=C1N MCULE-2229858743 [1,1,0,0,0,0|2,0,0]=4 2437 B7R1.4 CC1=CSC=C1N MCULE-9678851280 [1,1,0,0,0,0|2,0,0]=4 2438 B7R1.4 CC1=CSC=C1N MCULE-9850701502 [1,1,0,0,0,0|2,0,0]=4 2439 B7R1.4 CC1=NC=CN1C MCULE-6619799827 [1,1,0,0,0,0|2,0,0]=4 2440 B7R1.4 CC1=NC=CN1N MCULE-7103111251 [1,1,0,0,0,0|2,0,0]=4 2441 B7R1.4 CC1=NNC=C1Br MCULE-1749367684 [1,1,0,0,0,0|2,0,0]=4 2442 B7R1.4 CC1=NNC=C1Br MCULE-5959094368 [1,1,0,0,0,0|2,0,0]=4 2443 B7R1.4 CC1=NNC=C1Cl MCULE-1754129627 [1,1,0,0,0,0|2,0,0]=4 2444 B7R1.4 CC1=NNC=C1Cl MCULE-4343252949 [1,1,0,0,0,0|2,0,0]=4 2445 B7R1.4 CC1=NNC=C1I MCULE-9590566058 [1,1,0,0,0,0|2,0,0]=4 2446 B7R1.4 CC1=NNC=C1N MCULE-2511920915 [1,1,0,0,0,0|2,0,0]=4 2447 B7R1.4 CC1=NNC=C1N MCULE-5966078729 [1,1,0,0,0,0|2,0,0]=4 2448 B7R1.4 CC1=NNC=C1N MCULE-6524486526 [1,1,0,0,0,0|2,0,0]=4 2449 B7R1.4 CC1=NOC=C1Br MCULE-7195499083 [1,1,0,0,0,0|2,0,0]=4 2450 B7R1.4 CC1=NOC=C1N MCULE-4953481155 [1,1,0,0,0,0|2,0,0]=4 2451 B7R1.4 CC1=NOC=C1N MCULE-7158422089 [1,1,0,0,0,0|2,0,0]=4 2452 B7R1.4 CC1=NSC=C1Br MCULE-5960176770 [1,1,0,0,0,0|2,0,0]=4 2453 B7R1.4 CC1=NSC=C1N MCULE-1714579639 [1,1,0,0,0,0|2,0,0]=4 2454 B7R1.4 CC1=NSC=C1N MCULE-8952603976 [1,1,0,0,0,0|2,0,0]=4 2455 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [1,1,0,0,0,0|2,0,0]=4 2456 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [1,1,0,0,0,0|1,0,0]=3 2457 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [1,1,0,0,0,0|2,0,0]=4 2458 B7R1.4 CN1N=CC=C1Br MCULE-7101001570 [1,1,0,0,0,0|2,0,0]=4 2459 B7R1.4 CN1N=CC=C1Cl MCULE-8962391076 [1,1,0,0,0,0|2,0,0]=4 2460 B7R1.4 CN1N=CC=C1F MCULE-6023753197 [1,1,0,0,0,0|2,0,0]=4 2461 B7R1.4 CN1N=CC=C1I MCULE-2407065536 [1,1,0,0,0,0|2,0,0]=4 2462 B7R1.4 CN1N=CC=C1N MCULE-1453941617 [1,1,0,0,0,0|2,0,0]=4 2463 B7R1.4 CN1N=CC=C1N MCULE-2315795709 [1,1,0,0,0,0|2,0,0]=4 2464 B7R1.4 CN1N=CC=C1O MCULE-1012956210 [1,1,0,0,0,0|2,0,0]=4 2465 B7R1.4 CN1N=CC=C1O MCULE-9024912006 [1,1,0,0,0,0|2,0,0]=4 2466 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [1,1,0,0,0,0|2,0,0]=4 2467 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [1,1,0,0,0,0|1,1,0]=4 2468 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [1,1,0,0,0,0|1,1,0]=4 2469 B7R1.4 CN1SC=CC1=S MCULE-4327458448 [1,1,0,0,0,0|1,1,0]=4 2470 B7R1.4 ClC1=C(C=CS1)Br MCULE-5904573808 [1,1,0,0,0,0|1,1,0]=4 2471 B7R1.4 ClC1=C(SC=C1)Br MCULE-5923516825 [1,1,0,0,0,0|1,1,0]=4 2472 B7R1.4 ClC1=C(SC=C1)Cl MCULE-8641122898 [1,1,0,0,0,0|1,1,0]=4 2473 B7R1.4 ClC1=C(SC=C1)I MCULE-1131161173 [1,1,0,0,0,0|1,1,0]=4 2474 B7R1.4 NC1=C(C=CS1)Br MCULE-9931355765 [1,1,0,0,0,0|1,1,0]=4 2475 B7R1.4 NC1=C(SC=C1)Br MCULE-5177518644 [1,1,0,0,0,0|1,1,0]=4 2476 B7R1.4 NC1=C(SC=C1)Br MCULE-9842294434 [1,1,0,0,0,0|1,1,0]=4 2477 B7R1.4 NC1=C(SC=C1)Cl MCULE-3109484453 [1,1,0,0,0,0|1,1,0]=4 2478 B7R1.4 NC1=C(SC=C1)Cl MCULE-4898124373 [1,1,0,0,0,0|1,1,0]=4 2479 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [1,1,0,0,0,0|0,0,2]=4 2480 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [1,1,0,0,0,0|0,0,2]=4 2481 B7R1.4 OC1=CSC=C1O MCULE-7694152673 [1,1,0,0,0,0|2,0,0]=4 2482 B7R1.4 OC1=NOC=C1Br MCULE-1436145132 [1,1,0,0,0,0|2,0,0]=4 2483 B9R1.1 BrC1=CC=C(C=C1)CI MCULE-5156359278 [0,1,0,0,0,1|2,0,0]=4 2484 B9R1.1 BrCC1=CC=C(C=C1)Br MCULE-8654417537 [0,1,0,0,0,1|2,0,0]=4 2485 B9R1.1 BrCC1=CC=C(C=C1)I MCULE-5057301424 [0,1,0,0,0,1|2,0,0]=4 2486 B9R1.1 BrCC1=CN=C(C=C1)Br MCULE-2167317203 [0,1,0,0,0,1|2,0,0]=4 2487 B9R1.1 BrCC1=CN=C(C=C1)Br MCULE-9462719687 [0,1,0,0,0,1|2,0,0]=4 2488 B9R1.1 BrCC1=CN=C(C=N1)Br MCULE-7401947878 [0,1,0,0,0,1|2,0,0]=4 2489 B9R1.1 BrCC1=NC=C(C=C1)Br MCULE-6803230513 [0,1,0,0,0,1|2,0,0]=4 2490 B9R1.1 BrCC1=NC=C(C=C1)Br MCULE-9692279035 [0,1,0,0,0,1|2,0,0]=4 2491 B9R1.1 BrCC1=NC=C(C=N1)Br MCULE-4428066922 [0,1,0,0,0,1|2,0,0]=4 2492 B9R1.1 BrCC1=NN=C(C=C1)Br MCULE-1655985906 [0,1,0,0,0,1|2,0,0]=4 2493 B9R1.1 BrCC1=NN=C(C=C1)Br MCULE-7404683850 [0,1,0,0,0,1|2,0,0]=4 2494 B9R1.1 CC1=CC=C(C=C1)CBr MCULE-9635491001 [0,1,0,0,0,1|2,0,0]=4 2495 B9R1.1 CC1=CC=C(C=C1)CCl MCULE-4281771169 [0,1,0,0,0,1|2,0,0]=4 2496 B9R1.1 CC1=CC=C(C=C1)CN MCULE-9706156726 [0,1,0,0,0,1|2,0,0]=4 2497 B9R1.1 CC1=CC=C(C=C1)CO MCULE-5810522404 [0,1,0,0,0,1|1,0,0]=3 2498 B9R1.1 CC1=CC=C(C=C1)CS MCULE-8555341043 [0,1,0,0,0,1|1,1,0]=4 2499 B9R1.1 CC1=CC=C(C=N1)CO MCULE-1564292158 [0,1,0,0,0,1|1,0,0]=3 2500 B9R1.1 CC1=CC=C(C=N1)CO MCULE-4974360920 [0,1,0,0,0,1|1,0,0]=3 2501 B9R1.1 CC1=CC=C(N=C1)CCl MCULE-5273192863 [0,1,0,0,0,1|2,0,0]=4 2502 B9R1.1 CC1=CCC(=CC1)CO MCULE-7402387941 [0,1,0,0,0,1|1,0,0]=3 2503 B9R1.1 CC1=CN=C(C=C1)CBr MCULE-1980488301 [0,1,0,0,0,1|2,0,0]=4 2504 B9R1.1 CC1=CN=C(C=C1)CBr MCULE-6599810396 [0,1,0,0,0,1|2,0,0]=4 2505 B9R1.1 CC1=CN=C(C=C1)CCl MCULE-4136346444 [0,1,0,0,0,1|2,0,0]=4 2506 B9R1.1 CC1=CN=C(C=C1)CN MCULE-2270061724 [0,1,0,0,0,1|2,0,0]=4 2507 B9R1.1 CC1=CN=C(C=C1)CN MCULE-5751118742 [0,1,0,0,0,1|2,0,0]=4 2508 B9R1.1 CC1=CN=C(C=C1)CN MCULE-9920301064 [0,1,0,0,0,1|2,0,0]=4 2509 B9R1.1 CC1=CN=C(C=C1)CO MCULE-5535646576 [0,1,0,0,0,1|1,0,0]=3 2510 B9R1.1 CC1=CN=C(C=N1)CBr MCULE-7662366179 [0,1,0,0,0,1|2,0,0]=4 2511 B9R1.1 CC1=CN=C(C=N1)CCl MCULE-5473059722 [0,1,0,0,0,1|2,0,0]=4 2512 B9R1.1 CC1=CN=C(C=N1)CN MCULE-2064896748 [0,1,0,0,0,1|2,0,0]=4 2513 B9R1.1 CC1=CN=C(C=N1)CN MCULE-8635153989 [0,1,0,0,0,1|2,0,0]=4 2514 B9R1.1 CC1=CN=C(N=C1)CBr MCULE-2330810552 [0,1,0,0,0,1|2,0,0]=4 2515 B9R1.1 CC1=CN=C(N=C1)CBr MCULE-7052177091 [0,1,0,0,0,1|2,0,0]=4 2516 B9R1.1 CC1=CN=C(N=C1)CCl MCULE-1121234679 [0,1,0,0,0,1|2,0,0]=4 2517 B9R1.1 CC1=CN=C(N=C1)CCl MCULE-8374539756 [0,1,0,0,0,1|2,0,0]=4 2518 B9R1.1 CC1=CN=C(N=C1)CN MCULE-6060956178 [0,1,0,0,0,1|2,0,0]=4 2519 B9R1.1 CC1=CN=C(N=C1)CN MCULE-6865313212 [0,1,0,0,0,1|2,0,0]=4 2520 B9R1.1 CC1=CN=C(N=C1)CN MCULE-9217134372 [0,1,0,0,0,1|2,0,0]=4 2521 B9R1.1 CC1=CN=C(N=C1)CO MCULE-6121128424 [0,1,0,0,0,1|1,0,0]=3 2522 B9R1.1 CC1=NC=C(C=C1)CBr MCULE-4080434469 [0,1,0,0,0,1|2,0,0]=4 2523 B9R1.1 CC1=NC=C(C=C1)CBr MCULE-7408935844 [0,1,0,0,0,1|2,0,0]=4 2524 B9R1.1 CC1=NC=C(C=C1)CCl MCULE-3214445077 [0,1,0,0,0,1|2,0,0]=4 2525 B9R1.1 CC1=NC=C(C=C1)CCl MCULE-4006649478 [0,1,0,0,0,1|2,0,0]=4 2526 B9R1.1 CC1=NC=C(C=C1)CN MCULE-1950707354 [0,1,0,0,0,1|2,0,0]=4 2527 B9R1.1 CC1=NC=C(C=C1)CN MCULE-8080218428 [0,1,0,0,0,1|2,0,0]=4 2528 B9R1.1 CC1=NC=C(C=N1)CO MCULE-4687081418 [0,1,0,0,0,1|2,0,0]=4 2529 B9R1.1 CC1=NC=C(N=C1)CCl MCULE-2738948001 [0,1,0,0,0,1|2,0,0]=4 2530 B9R1.1 CC1=NC=C(N=C1)CO MCULE-3573835522 [0,1,0,0,0,1|1,0,0]=3 2531 B9R1.1 CC1=NN=C(C=C1)CCl MCULE-3348359284 [0,1,0,0,0,1|2,0,0]=4 2532 B9R1.1 CC1=NN=C(C=C1)CCl MCULE-6893351900 [0,1,0,0,0,1|2,0,0]=4 2533 B9R1.1 CC1=NN=C(C=C1)CN MCULE-7436198648 [0,1,0,0,0,1|2,0,0]=4 2534 B9R1.1 CC1=NN=C(C=C1)CN MCULE-8990411169 [0,1,0,0,0,1|2,0,0]=4 2535 B9R1.1 CC1=NN=C(C=C1)CO MCULE-8224975927 [0,1,0,0,0,1|1,0,0]=3 2536 B9R1.1 CCC1=CC=C(C=C1)Br MCULE-1942919084 [0,1,0,0,0,1|2,0,0]=4 2537 B9R1.1 CCC1=CC=C(C=C1)C MCULE-9537190030 [0,1,0,0,0,1|2,0,0]=4 2538 B9R1.1 CCC1=CC=C(C=C1)Cl MCULE-7804688190 [0,1,0,0,0,1|2,0,0]=4 2539 B9R1.1 CCC1=CC=C(C=C1)F MCULE-6539915563 [0,1,0,0,0,1|2,0,0]=4 2540 B9R1.1 CCC1=CC=C(C=C1)I MCULE-2888166962 [0,1,0,0,0,1|2,0,0]=4 2541 B9R1.1 CCC1=CC=C(C=C1)N MCULE-1390459770 [0,1,0,0,0,1|2,0,0]=4 2542 B9R1.1 CCC1=CC=C(C=C1)O MCULE-7755465629 [0,1,0,0,0,1|2,0,0]=4 2543 B9R1.1 CCC1=CC=C(C=C1)S MCULE-1761350085 [0,1,0,0,0,1|2,0,0]=4 2544 B9R1.1 CCC1=CC=C(C=N1)N MCULE-6664523088 [0,1,0,0,0,1|2,0,0]=4 2545 B9R1.1 CCC1=CC=C(C=N1)O MCULE-4559483882 [0,1,0,0,0,1|2,0,0]=4 2546 B9R1.1 CCC1=CC=C(N=C1)C MCULE-4731126872 [0,1,0,0,0,1|2,0,0]=4 2547 B9R1.1 CCC1=CC=C(N=N1)Br MCULE-1824320883 [0,1,0,0,0,1|2,0,0]=4 2548 B9R1.1 CCC1=CC=C(N=N1)Br MCULE-7950643602 [0,1,0,0,0,1|2,0,0]=4 2549 B9R1.1 CCC1=CC=C(N=N1)N MCULE-8616732028 [0,1,0,0,0,1|2,0,0]=4 2550 B9R1.1 CCC1=CC=C(N=N1)O MCULE-8299263067 [0,1,0,0,0,1|2,0,0]=4 2551 B9R1.1 CCC1=CC=[N+](C=C1)[O-] MCULE-7820594012 [0,1,0,0,0,1|2,0,0]=4 2552 B9R1.1 CCC1=CN=C(C=C1)Br MCULE-6391149223 [0,1,0,0,0,1|2,0,0]=4 2553 B9R1.1 CCC1=CN=C(C=C1)Cl MCULE-1414082615 [0,1,0,0,0,1|2,0,0]=4 2554 B9R1.1 CCC1=CN=C(C=C1)Cl MCULE-8887824275 [0,1,0,0,0,1|2,0,0]=4 2555 B9R1.1 CCC1=CN=C(C=C1)N MCULE-9717049580 [0,1,0,0,0,1|2,0,0]=4 2556 B9R1.1 CCC1=CN=C(C=N1)N MCULE-3132312728 [0,1,0,0,0,1|2,0,0]=4 2557 B9R1.1 CCC1=CNC(=O)C=C1 MCULE-1841228387 [0,1,0,0,0,1|2,0,0]=4 2558 B9R1.1 CCC1=NC=C(C=C1)Br MCULE-4728732526 [0,1,0,0,0,1|2,0,0]=4 2559 B9R1.1 CCC1=NC=C(C=C1)C MCULE-1900434923 [0,1,0,0,0,1|2,0,0]=4 2560 B9R1.1 CCC1=NC=C(C=C1)Cl MCULE-5919886035 [0,1,0,0,0,1|2,0,0]=4 2561 B9R1.1 CCC1=NC=C(C=N1)Br MCULE-6106397427 [0,1,0,0,0,1|2,0,0]=4 2562 B9R1.1 CCC1=NC=C(C=N1)N MCULE-4162760888 [0,1,0,0,0,1|2,0,0]=4 2563 B9R1.1 CCC1=NC=C(C=N1)O MCULE-3635993659 [0,1,0,0,0,1|2,0,0]=4 2564 B9R1.1 CCC1=NC=C(N=C1)C MCULE-2010915642 [0,1,0,0,0,1|2,0,0]=4 2565 B9R1.1 CCC1=NN=C(C=C1)Cl MCULE-5303270549 [0,1,0,0,0,1|2,0,0]=4 2566 B9R1.1 C[N+]1=CC=C(C=C1)CO MCULE-5038414809 [0,1,0,0,0,1|1,0,0]=3 2567 B9R1.1 C[N+]1=CC=C(C=C1)CO MCULE-8564297982 [0,1,0,0,0,1|1,0,0]=3 2568 B9R1.1 ClC1=CC=C(C=C1)CBr MCULE-4929573742 [0,1,0,0,0,1|2,0,0]=4 2569 B9R1.1 ClC1=CC=C(C=C1)CI MCULE-6461342155 [0,1,0,0,0,1|2,0,0]=4 2570 B9R1.1 ClC1=CC=C(C=N1)CBr MCULE-3665704861 [0,1,0,0,0,1|2,0,0]=4 2571 B9R1.1 ClC1=CC=C(N=N1)CBr MCULE-6895271657 [0,1,0,0,0,1|2,0,0]=4 2572 B9R1.1 ClC1=CN=C(C=C1)CBr MCULE-2652104599 [0,1,0,0,0,1|2,0,0]=4 2573 B9R1.1 ClC1=CN=C(C=C1)CBr MCULE-7047523236 [0,1,0,0,0,1|2,0,0]=4 2574 B9R1.1 ClC1=CN=C(N=C1)CBr MCULE-5156827744 [0,1,0,0,0,1|2,0,0]=4 2575 B9R1.1 ClC1=NC=C(C=C1)CBr MCULE-1041992155 [0,1,0,0,0,1|2,0,0]=4 2576 B9R1.1 ClC1=NC=C(C=C1)CBr MCULE-5801471448 [0,1,0,0,0,1|2,0,0]=4 2577 B9R1.1 ClC1=NC=C(N=C1)CBr MCULE-9200818073 [0,1,0,0,0,1|2,0,0]=4 2578 B9R1.1 ClC1=NN=C(C=C1)CBr MCULE-4564279241 [0,1,0,0,0,1|2,0,0]=4 2579 B9R1.1 ClCC1=CC=C(C=C1)Br MCULE-2885830820 [0,1,0,0,0,1|2,0,0]=4 2580 B9R1.1 ClCC1=CC=C(C=C1)Cl MCULE-3948857908 [0,1,0,0,0,1|2,0,0]=4 2581 B9R1.1 ClCC1=CC=C(C=C1)I MCULE-6645499422 [0,1,0,0,0,1|2,0,0]=4 2582 B9R1.1 ClCC1=CC=C(C=N1)Cl MCULE-9990360715 [0,1,0,0,0,1|2,0,0]=4 2583 B9R1.1 ClCC1=CC=C(N=C1)Cl MCULE-1892416229 [0,1,0,0,0,1|2,0,0]=4 2584 B9R1.1 ClCC1=CN=C(C=C1)Br MCULE-4956707485 [0,1,0,0,0,1|2,0,0]=4 2585 B9R1.1 ClCC1=CN=C(C=C1)Br MCULE-5284101471 [0,1,0,0,0,1|2,0,0]=4 2586 B9R1.1 ClCC1=NC=C(C=C1)Br MCULE-4868657432 [0,1,0,0,0,1|2,0,0]=4 2587 B9R1.1 ClCC1=NC=C(C=C1)Br MCULE-5077130207 [0,1,0,0,0,1|2,0,0]=4 2588 B9R1.1 ClCC1=NC=C(C=C1)Cl MCULE-5606574701 [0,1,0,0,0,1|2,0,0]=4 2589 B9R1.1 ClCC1=NC=C(C=N1)Br MCULE-6381003790 [0,1,0,0,0,1|2,0,0]=4 2590 B9R1.1 ClCC1=NC=C(C=N1)Cl MCULE-3595847790 [0,1,0,0,0,1|2,0,0]=4 2591 B9R1.1 ClCC1=NC=C(C=N1)Cl MCULE-6137599240 [0,1,0,0,0,1|2,0,0]=4 2592 B9R1.1 ClCC1=NC=C(N=C1)Cl MCULE-4605944005 [0,1,0,0,0,1|2,0,0]=4 2593 B9R1.1 ClCC1=NN=C(C=C1)Cl MCULE-1519413469 [0,1,0,0,0,1|2,0,0]=4 2594 B9R1.1 ClCC1=NN=C(C=C1)Cl MCULE-9062319056 [0,1,0,0,0,1|2,0,0]=4 2595 B9R1.1 FC1=CC=C(C=C1)CBr MCULE-6581959346 [0,1,0,0,0,1|2,0,0]=4 2596 B9R1.1 FC1=CC=C(C=C1)CCl MCULE-2695362345 [0,1,0,0,0,1|2,0,0]=4 2597 B9R1.1 FC1=CC=C(C=C1)CI MCULE-1967138539 [0,1,0,0,0,1|2,0,0]=4 2598 B9R1.1 FC1=CC=C(C=C1)CS MCULE-1336956859 [0,1,0,0,0,1|1,1,0]=4 2599 B9R1.1 FC1=CN=C(C=C1)CBr MCULE-1390593228 [0,1,0,0,0,1|2,0,0]=4 2600 B9R1.1 FC1=CN=C(C=C1)CBr MCULE-7315358511 [0,1,0,0,0,1|2,0,0]=4 2601 B9R1.1 FC1=CN=C(C=C1)CCl MCULE-1813083272 [0,1,0,0,0,1|2,0,0]=4 2602 B9R1.1 FC1=CN=C(C=C1)CCl MCULE-7386519077 [0,1,0,0,0,1|2,0,0]=4 2603 B9R1.1 FC1=CN=C(N=C1)CBr MCULE-7640377697 [0,1,0,0,0,1|2,0,0]=4 2604 B9R1.1 FC1=CN=C(N=C1)CCl MCULE-2562691063 [0,1,0,0,0,1|2,0,0]=4 2605 B9R1.1 FC1=CN=C(N=C1)CCl MCULE-4456687161 [0,1,0,0,0,1|2,0,0]=4 2606 B9R1.1 FC1=NC=C(C=C1)CBr MCULE-6471390713 [0,1,0,0,0,1|2,0,0]=4 2607 B9R1.1 FC1=NC=C(C=C1)CBr MCULE-9504893869 [0,1,0,0,0,1|2,0,0]=4 2608 B9R1.1 FC1=NC=C(C=C1)CCl MCULE-5760362940 [0,1,0,0,0,1|2,0,0]=4 2609 B9R1.1 FCC1=CC=C(C=C1)Br MCULE-4771773453 [0,1,0,0,0,1|2,0,0]=4 2610 B9R1.1 N#CC1=COC(=O)C=C1 MCULE-4221608627 [0,1,0,0,0,1|1,0,1]=4 2611 B9R1.1 NC1=CC=C(C=C1)CBr MCULE-4256273724 [0,1,0,0,0,1|2,0,0]=4 2612 B9R1.1 NC1=CC=C(C=C1)CBr MCULE-6972761561 [0,1,0,0,0,1|2,0,0]=4 2613 B9R1.1 NC1=CC=C(C=C1)CCl MCULE-5875186483 [0,1,0,0,0,1|2,0,0]=4 2614 B9R1.1 NC1=CC=C(C=C1)CCl MCULE-6947418785 [0,1,0,0,0,1|2,0,0]=4 2615 B9R1.1 NC1=CC=C(C=C1)CF MCULE-9753953925 [0,1,0,0,0,1|2,0,0]=4 2616 B9R1.1 NC1=CC=C(C=C1)CO MCULE-4808471456 [0,1,0,0,0,1|1,0,0]=3 2617 B9R1.1 NC1=CC=C(C=C1)CO MCULE-7007235735 [0,1,0,0,0,1|1,0,0]=3 2618 B9R1.1 NC1=CC=C(C=N1)CCl MCULE-5712227175 [0,1,0,0,0,1|2,0,0]=4 2619 B9R1.1 NC1=CC=C(C=N1)CCl MCULE-6181355121 [0,1,0,0,0,1|2,0,0]=4 2620 B9R1.1 NC1=CC=C(C=N1)CO MCULE-4376508513 [0,1,0,0,0,1|1,0,0]=3 2621 B9R1.1 NC1=CC=C(N=C1)CCl MCULE-2433966464 [0,1,0,0,0,1|2,0,0]=4 2622 B9R1.1 NC1=CC=C(N=C1)CF MCULE-2005523981 [0,1,0,0,0,1|2,0,0]=4 2623 B9R1.1 NC1=CN=C(C=C1)CO MCULE-3128352913 [0,1,0,0,0,1|1,0,0]=3 2624 B9R1.1 NC1=CN=C(C=C1)CO MCULE-8053820974 [0,1,0,0,0,1|1,0,0]=3 2625 B9R1.1 NC1=CN=C(N=C1)CO MCULE-3640259791 [0,1,0,0,0,1|1,0,0]=3 2626 B9R1.1 NC1=CN=C(N=C1)CO MCULE-7722526881 [0,1,0,0,0,1|1,0,0]=3 2627 B9R1.1 NC1=NC=C(C=C1)CBr MCULE-2696812399 [0,1,0,0,0,1|2,0,0]=4 2628 B9R1.1 NC1=NC=C(C=C1)CBr MCULE-4656452331 [0,1,0,0,0,1|2,0,0]=4 2629 B9R1.1 NC1=NC=C(C=N1)CO MCULE-2425293000 [0,1,0,0,0,1|2,0,0]=4 2630 B9R1.1 NC1=NC=C(N=C1)CO MCULE-6597898780 [0,1,0,0,0,1|1,0,0]=3 2631 B9R1.1 NC1=NN=C(C=C1)CCl MCULE-4714850233 [0,1,0,0,0,1|2,0,0]=4 2632 B9R1.1 NC1=NN=C(C=C1)CCl MCULE-5813870020 [0,1,0,0,0,1|2,0,0]=4 2633 B9R1.1 NC1=NN=C(C=C1)CO MCULE-3499014201 [0,1,0,0,0,1|1,0,0]=3 2634 B9R1.1 NC1=NN=C(C=C1)CO MCULE-3871487905 [0,1,0,0,0,1|1,0,0]=3 2635 B9R1.1 NCC1=CC=C(C=C1)Br MCULE-1368263786 [0,1,0,0,0,1|2,0,0]=4 2636 B9R1.1 NCC1=CC=C(C=C1)Br MCULE-8952776735 [0,1,0,0,0,1|2,0,0]=4 2637 B9R1.1 NCC1=CC=C(C=C1)Cl MCULE-4214697148 [0,1,0,0,0,1|2,0,0]=4 2638 B9R1.1 NCC1=CC=C(C=C1)Cl MCULE-7652777684 [0,1,0,0,0,1|2,0,0]=4 2639 B9R1.1 NCC1=CC=C(C=C1)F MCULE-1284662768 [0,1,0,0,0,1|2,0,0]=4 2640 B9R1.1 NCC1=CC=C(C=C1)F MCULE-3463123374 [0,1,0,0,0,1|2,0,0]=4 2641 B9R1.1 NCC1=CC=C(C=C1)F MCULE-7721713397 [0,1,0,0,0,1|2,0,0]=4 2642 B9R1.1 NCC1=CC=C(C=C1)I MCULE-1362537701 [0,1,0,0,0,1|2,0,0]=4 2643 B9R1.1 NCC1=CC=C(C=C1)N MCULE-5036069240 [0,1,0,0,0,1|2,0,0]=4 2644 B9R1.1 NCC1=CC=C(C=C1)N MCULE-8256075889 [0,1,0,0,0,1|2,0,0]=4 2645 B9R1.1 NCC1=CC=C(C=C1)N MCULE-9192300626 [0,1,0,0,0,1|2,0,0]=4 2646 B9R1.1 NCC1=CC=C(C=C1)O MCULE-4190851704 [0,1,0,0,0,1|2,0,0]=4 2647 B9R1.1 NCC1=CC=C(C=C1)O MCULE-5169618777 [0,1,0,0,0,1|2,0,0]=4 2648 B9R1.1 NCC1=CC=C(C=C1)O MCULE-8114272449 [0,1,0,0,0,1|2,0,0]=4 2649 B9R1.1 NCC1=CC=C(C=N1)Br MCULE-8216075043 [0,1,0,0,0,1|2,0,0]=4 2650 B9R1.1 NCC1=CC=C(C=N1)N MCULE-3244226603 [0,1,0,0,0,1|2,0,0]=4 2651 B9R1.1 NCC1=CC=C(C=N1)N MCULE-6073700868 [0,1,0,0,0,1|2,0,0]=4 2652 B9R1.1 NCC1=CC=C(N=C1)Br MCULE-1160235860 [0,1,0,0,0,1|2,0,0]=4 2653 B9R1.1 NCC1=CC=C(N=C1)Br MCULE-1690269094 [0,1,0,0,0,1|2,0,0]=4 2654 B9R1.1 NCC1=CC=C(N=C1)Cl MCULE-1046163392 [0,1,0,0,0,1|2,0,0]=4 2655 B9R1.1 NCC1=CC=C(N=C1)Cl MCULE-1206012330 [0,1,0,0,0,1|2,0,0]=4 2656 B9R1.1 NCC1=CC=C(N=C1)Cl MCULE-2699643476 [0,1,0,0,0,1|2,0,0]=4 2657 B9R1.1 NCC1=CC=C(N=C1)F MCULE-6587038374 [0,1,0,0,0,1|2,0,0]=4 2658 B9R1.1 NCC1=CN=C(C=C1)Br MCULE-7270064937 [0,1,0,0,0,1|2,0,0]=4 2659 B9R1.1 NCC1=CN=C(C=C1)F MCULE-6587344182 [0,1,0,0,0,1|2,0,0]=4 2660 B9R1.1 NCC1=CN=C(C=C1)N MCULE-5745446001 [0,1,0,0,0,1|2,0,0]=4 2661 B9R1.1 NCC1=CN=C(C=C1)N MCULE-6955966950 [0,1,0,0,0,1|2,0,0]=4 2662 B9R1.1 NCC1=CN=C(C=C1)O MCULE-1317224049 [0,1,0,0,0,1|2,0,0]=4 2663 B9R1.1 NCC1=CN=C(C=C1)O MCULE-3567074877 [0,1,0,0,0,1|2,0,0]=4 2664 B9R1.1 NCC1=CNC(=O)C=C1 MCULE-1151449929 [0,1,0,0,0,1|2,0,0]=4 2665 B9R1.1 NCC1=NC=C(C=C1)Br MCULE-1545784767 [0,1,0,0,0,1|2,0,0]=4 2666 B9R1.1 NCC1=NC=C(C=C1)Br MCULE-7949597425 [0,1,0,0,0,1|2,0,0]=4 2667 B9R1.1 NCC1=NC=C(C=C1)Cl MCULE-5329152228 [0,1,0,0,0,1|2,0,0]=4 2668 B9R1.1 NCC1=NC=C(C=C1)Cl MCULE-8576672418 [0,1,0,0,0,1|2,0,0]=4 2669 B9R1.1 NCC1=NC=C(C=C1)Cl MCULE-9317525189 [0,1,0,0,0,1|2,0,0]=4 2670 B9R1.1 NCC1=NC=C(C=C1)F MCULE-1089982110 [0,1,0,0,0,1|2,0,0]=4 2671 B9R1.1 NCC1=NC=C(C=C1)F MCULE-5914037391 [0,1,0,0,0,1|2,0,0]=4 2672 B9R1.1 NCC1=NC=C(C=C1)F MCULE-8521692077 [0,1,0,0,0,1|2,0,0]=4 2673 B9R1.1 NCC1=NC=C(C=C1)I MCULE-4505215224 [0,1,0,0,0,1|2,0,0]=4 2674 B9R1.1 NCC1=NC=C(C=C1)O MCULE-7923379254 [0,1,0,0,0,1|2,0,0]=4 2675 B9R1.1 NCC1=NC=C(C=C1)O MCULE-9699724249 [0,1,0,0,0,1|2,0,0]=4 2676 B9R1.1 NCC1=NC=C(C=N1)Br MCULE-4481325048 [0,1,0,0,0,1|2,0,0]=4 2677 B9R1.1 NCC1=NC=C(C=N1)Br MCULE-4612305226 [0,1,0,0,0,1|2,0,0]=4 2678 B9R1.1 NCC1=NC=C(C=N1)Br MCULE-5839853184 [0,1,0,0,0,1|2,0,0]=4 2679 B9R1.1 NCC1=NC=C(C=N1)Cl MCULE-6350842170 [0,1,0,0,0,1|2,0,0]=4 2680 B9R1.1 NCC1=NC=C(C=N1)Cl MCULE-6521319761 [0,1,0,0,0,1|2,0,0]=4 2681 B9R1.1 NCC1=NC=C(C=N1)F MCULE-6127259486 [0,1,0,0,0,1|2,0,0]=4 2682 B9R1.1 NCC1=NC=C(C=N1)F MCULE-6315760580 [0,1,0,0,0,1|2,0,0]=4 2683 B9R1.1 NCC1=NC=C(C=N1)F MCULE-8833320655 [0,1,0,0,0,1|2,0,0]=4 2684 B9R1.1 NCC1=NC=C(N=C1)Br MCULE-1183588101 [0,1,0,0,0,1|2,0,0]=4 2685 B9R1.1 NCC1=NC=C(N=C1)Br MCULE-8530581762 [0,1,0,0,0,1|2,0,0]=4 2686 B9R1.1 NCC1=NC=C(N=C1)Cl MCULE-1951482399 [0,1,0,0,0,1|2,0,0]=4 2687 B9R1.1 NCC1=NC=C(N=C1)Cl MCULE-3761768523 [0,1,0,0,0,1|2,0,0]=4 2688 B9R1.1 NCC1=NN=C(C=C1)Cl MCULE-1542658348 [0,1,0,0,0,1|2,0,0]=4 2689 B9R1.1 NCC1=NN=C(C=C1)Cl MCULE-2922188151 [0,1,0,0,0,1|2,0,0]=4 2690 B9R1.1 NCC1=NNC(=O)C=C1 MCULE-3839827679 [0,1,0,0,0,1|2,0,0]=4 2691 B9R1.1 NCC1=NNC(=O)C=C1 MCULE-9002975777 [0,1,0,0,0,1|2,0,0]=4 2692 B9R1.1 O=C1C=CC(=NN1)CBr MCULE-9321606526 [0,1,0,0,0,1|2,0,0]=4 2693 B9R1.1 O=C1C=CC(=NO)C=C1 MCULE-4869501073 [0,1,0,0,0,1|2,0,0]=4 2694 B9R1.1 OC1=CC=C(C=C1)CCl MCULE-2509894702 [0,1,0,0,0,1|2,0,0]=4 2695 B9R1.1 OC1=CC=C(C=C1)CI MCULE-9948914451 [0,1,0,0,0,1|2,0,0]=4 2696 B9R1.1 OC1=CN=C(N=C1)CF MCULE-8652792283 [0,1,0,0,0,1|2,0,0]=4 2697 B9R1.1 OCC1=CC=C(C=C1)Br MCULE-6643975109 [0,1,0,0,0,1|1,0,0]=3 2698 B9R1.1 OCC1=CC=C(C=C1)Cl MCULE-3763727891 [0,1,0,0,0,1|1,0,0]=3 2699 B9R1.1 OCC1=CC=C(C=C1)F MCULE-2292153056 [0,1,0,0,0,1|1,0,0]=3 2700 B9R1.1 OCC1=CC=C(C=C1)I MCULE-7605779199 [0,1,0,0,0,1|1,0,0]=3 2701 B9R1.1 OCC1=CC=C(C=C1)O MCULE-8377025602 [0,1,0,0,0,1|1,0,0]=3 2702 B9R1.1 OCC1=CC=C(C=C1)S MCULE-1348408354 [0,1,0,0,0,1|1,0,0]=3 2703 B9R1.1 OCC1=CC=C(C=N1)I MCULE-5013443077 [0,1,0,0,0,1|1,0,0]=3 2704 B9R1.1 OCC1=CC=C(N=C1)F MCULE-3773005131 [0,1,0,0,0,1|1,0,0]=3 2705 B9R1.1 OCC1=CC=C(N=C1)I MCULE-6368622790 [0,1,0,0,0,1|1,0,0]=3 2706 B9R1.1 OCC1=CC=C(N=C1)O MCULE-2368909464 [0,1,0,0,0,1|1,0,0]=3 2707 B9R1.1 OCC1=CC=C(N=N1)Cl MCULE-4027615812 [0,1,0,0,0,1|1,0,0]=3 2708 B9R1.1 OCC1=CN=C(C=C1)Br MCULE-8078606376 [0,1,0,0,0,1|1,0,0]=3 2709 B9R1.1 OCC1=CN=C(C=C1)Cl MCULE-4227357861 [0,1,0,0,0,1|1,0,0]=3 2710 B9R1.1 OCC1=CN=C(N=C1)Br MCULE-9920446623 [0,1,0,0,0,1|2,0,0]=4 2711 B9R1.1 OCC1=CN=C(N=C1)Cl MCULE-7862397667 [0,1,0,0,0,1|2,0,0]=4 2712 B9R1.1 OCC1=NC=C(C=C1)Br MCULE-3810125098 [0,1,0,0,0,1|1,0,0]=3 2713 B9R1.1 OCC1=NC=C(C=C1)Cl MCULE-5171582170 [0,1,0,0,0,1|1,0,0]=3 2714 B9R1.1 OCC1=NC=C(C=C1)F MCULE-2708010566 [0,1,0,0,0,1|1,0,0]=3 2715 B9R1.1 OCC1=NC=C(C=C1)F MCULE-6239716789 [0,1,0,0,0,1|1,0,0]=3 2716 B9R1.1 OCC1=NC=C(C=C1)O MCULE-1938065199 [0,1,0,0,0,1|1,0,0]=3 2717 B9R1.1 OCC1=NC=C(C=N1)Br MCULE-2321336981 [0,1,0,0,0,1|1,0,0]=3 2718 B9R1.1 OCC1=NC=C(C=N1)Cl MCULE-3415292158 [0,1,0,0,0,1|1,0,0]=3 2719 B9R1.1 OCC1=NC=C(C=N1)Cl MCULE-4001386735 [0,1,0,0,0,1|1,0,0]=3 2720 B9R1.1 OCC1=NC=C(C=N1)F MCULE-1139991408 [0,1,0,0,0,1|1,0,0]=3 2721 B9R1.1 OCC1=NC=C(N=C1)Br MCULE-7394647942 [0,1,0,0,0,1|1,0,0]=3 2722 B9R1.1 OCC1=NC=C(N=C1)Cl MCULE-1101645229 [0,1,0,0,0,1|1,0,0]=3 2723 B9R1.1 OCC1=NN=C(C=C1)O MCULE-9072809673 [0,1,0,0,0,1|1,0,0]=3 2724 B9R1.1 ONC1=CC=C(C=C1)F MCULE-4122992483 [0,1,0,0,0,1|2,0,0]=4 2725 B9R1.1 SCC1=CC=C(C=C1)Br MCULE-7499269746 [0,1,0,0,0,1|1,1,0]=4 2726 B9R1.1 SCC1=CC=C(C=C1)Cl MCULE-5407111505 [0,1,0,0,0,1|1,1,0]=4 2727 B9R1.1 SCC1=NC=C(C=C1)Cl MCULE-4082432254 [0,1,0,0,0,1|1,1,0]=4 2728 B9R1.1 [NH3+]CC1=CC=C(C=C1)I MCULE-8048221215 [0,1,0,0,0,1|2,0,0]=4 2729 B9R1.1 [O-][N+]1=CC=C(C=C1)CCl MCULE-3847585208 [0,1,0,0,0,1|2,0,0]=4 2730 B9R1.1 [O-][N+]1=CC=C(C=C1)CO MCULE-3537464545 [0,1,0,0,0,1|1,0,0]=3 2731 B9R1.1 [O-][N+]1=CC=C(C=C1)NO MCULE-8432547265 [0,1,0,0,0,1|2,0,0]=4 2732 B9R1.2 BrCC1=CC(=CC=C1)Br MCULE-8993171485 [0,1,0,0,0,1|2,0,0]=4 2733 B9R1.2 BrCC1=CC(=NC=C1)Br MCULE-4422539156 [0,1,0,0,0,1|2,0,0]=4 2734 B9R1.2 BrCC1=CC(=NC=C1)Br MCULE-4594821638 [0,1,0,0,0,1|2,0,0]=4 2735 B9R1.2 BrCC1=CC(=NC=C1)Br MCULE-5946778502 [0,1,0,0,0,1|2,0,0]=4 2736 B9R1.2 BrCC1=CC=CC(=C1)I MCULE-3795159174 [0,1,0,0,0,1|2,0,0]=4 2737 B9R1.2 BrCC1=CC=CC(=N1)Br MCULE-5369647876 [0,1,0,0,0,1|2,0,0]=4 2738 B9R1.2 BrCC1=CN=CC(=C1)Br MCULE-9120108511 [0,1,0,0,0,1|2,0,0]=4 2739 B9R1.2 BrCC1=NC(=CC=C1)Br MCULE-2801885541 [0,1,0,0,0,1|2,0,0]=4 2740 B9R1.2 BrCC1=NC(=NC=C1)Br MCULE-2971460366 [0,1,0,0,0,1|2,0,0]=4 2741 B9R1.2 BrCC1=NC=CC(=C1)Br MCULE-3816897078 [0,1,0,0,0,1|2,0,0]=4 2742 B9R1.2 CC1=CC(=CC=C1)CBr MCULE-4055819645 [0,1,0,0,0,1|2,0,0]=4 2743 B9R1.2 CC1=CC(=CC=C1)CCl MCULE-3427979690 [0,1,0,0,0,1|2,0,0]=4 2744 B9R1.2 CC1=CC(=CC=C1)CN MCULE-7858581076 [0,1,0,0,0,1|2,0,0]=4 2745 B9R1.2 CC1=CC(=CC=C1)CO MCULE-8641267719 [0,1,0,0,0,1|1,0,0]=3 2746 B9R1.2 CC1=CC(=CN=C1)CN MCULE-3166712507 [0,1,0,0,0,1|2,0,0]=4 2747 B9R1.2 CC1=CC(=NC=C1)CBr MCULE-1061820070 [0,1,0,0,0,1|2,0,0]=4 2748 B9R1.2 CC1=CC(=NC=C1)CBr MCULE-3756240128 [0,1,0,0,0,1|2,0,0]=4 2749 B9R1.2 CC1=CC(=NC=C1)CBr MCULE-4801008246 [0,1,0,0,0,1|2,0,0]=4 2750 B9R1.2 CC1=CC(=NC=C1)CCl MCULE-4786321076 [0,1,0,0,0,1|2,0,0]=4 2751 B9R1.2 CC1=CC(=NC=C1)CCl MCULE-5821019831 [0,1,0,0,0,1|2,0,0]=4 2752 B9R1.2 CC1=CC(=NC=C1)CN MCULE-1293710983 [0,1,0,0,0,1|2,0,0]=4 2753 B9R1.2 CC1=CC(=NC=C1)CN MCULE-5871171876 [0,1,0,0,0,1|2,0,0]=4 2754 B9R1.2 CC1=CC(=NC=C1)CN MCULE-7880700156 [0,1,0,0,0,1|2,0,0]=4 2755 B9R1.2 CC1=CC(=NC=C1)CO MCULE-7603200677 [0,1,0,0,0,1|1,0,0]=3 2756 B9R1.2 CC1=CC(=NC=N1)CCl MCULE-6733444318 [0,1,0,0,0,1|2,0,0]=4 2757 B9R1.2 CC1=CC(=NC=N1)CCl MCULE-8794917303 [0,1,0,0,0,1|2,0,0]=4 2758 B9R1.2 CC1=CC(=NC=N1)CN MCULE-7080158883 [0,1,0,0,0,1|2,0,0]=4 2759 B9R1.2 CC1=CC(=NC=N1)CN MCULE-7135113593 [0,1,0,0,0,1|2,0,0]=4 2760 B9R1.2 CC1=CC(=NC=N1)CO MCULE-1491875033 [0,1,0,0,0,1|1,0,0]=3 2761 B9R1.2 CC1=CC(=NN=C1)CCl MCULE-3377510034 [0,1,0,0,0,1|2,0,0]=4 2762 B9R1.2 CC1=CC(=NN=C1)CCl MCULE-6645687409 [0,1,0,0,0,1|2,0,0]=4 2763 B9R1.2 CC1=CC(=NN=C1)CN MCULE-3903244452 [0,1,0,0,0,1|2,0,0]=4 2764 B9R1.2 CC1=CC(=NN=C1)CO MCULE-3910159000 [0,1,0,0,0,1|1,0,0]=3 2765 B9R1.2 CC1=CC=CC(=C1)CS MCULE-5486930284 [0,1,0,0,0,1|1,1,0]=4 2766 B9R1.2 CC1=CC=CC(=N1)CBr MCULE-6588135069 [0,1,0,0,0,1|2,0,0]=4 2767 B9R1.2 CC1=CC=CC(=N1)CBr MCULE-8949500512 [0,1,0,0,0,1|2,0,0]=4 2768 B9R1.2 CC1=CC=CC(=N1)CCl MCULE-5463142636 [0,1,0,0,0,1|2,0,0]=4 2769 B9R1.2 CC1=CC=CC(=N1)CCl MCULE-6564491498 [0,1,0,0,0,1|2,0,0]=4 2770 B9R1.2 CC1=CC=CC(=N1)CN MCULE-3782520022 [0,1,0,0,0,1|2,0,0]=4 2771 B9R1.2 CC1=CC=CC(=N1)CN MCULE-6513472103 [0,1,0,0,0,1|2,0,0]=4 2772 B9R1.2 CC1=CN=CC(=C1)CBr MCULE-4101170695 [0,1,0,0,0,1|2,0,0]=4 2773 B9R1.2 CC1=CN=CC(=C1)CBr MCULE-7302309083 [0,1,0,0,0,1|2,0,0]=4 2774 B9R1.2 CC1=CN=CC(=C1)CCl MCULE-5509889565 [0,1,0,0,0,1|2,0,0]=4 2775 B9R1.2 CC1=CN=CC(=C1)CCl MCULE-5528385382 [0,1,0,0,0,1|2,0,0]=4 2776 B9R1.2 CC1=CN=CC(=C1)CN MCULE-8229285340 [0,1,0,0,0,1|2,0,0]=4 2777 B9R1.2 CC1=CN=CC(=C1)CO MCULE-5296139945 [0,1,0,0,0,1|1,0,0]=3 2778 B9R1.2 CC1=CN=CC(=N1)CCl MCULE-3056587499 [0,1,0,0,0,1|2,0,0]=4 2779 B9R1.2 CC1=CN=CC(=N1)CCl MCULE-3435350695 [0,1,0,0,0,1|2,0,0]=4 2780 B9R1.2 CC1=CN=CC(=N1)CN MCULE-1892819289 [0,1,0,0,0,1|2,0,0]=4 2781 B9R1.2 CC1=CN=CC(=N1)CN MCULE-3957440084 [0,1,0,0,0,1|2,0,0]=4 2782 B9R1.2 CC1=CN=CC(=N1)CO MCULE-1632284509 [0,1,0,0,0,1|1,0,0]=3 2783 B9R1.2 CC1=CN=NC(=C1)CN MCULE-2788635618 [0,1,0,0,0,1|2,0,0]=4 2784 B9R1.2 CC1=NC(=CC=C1)CN MCULE-7646619968 [0,1,0,0,0,1|2,0,0]=4 2785 B9R1.2 CC1=NC(=CC=C1)CO MCULE-7303072149 [0,1,0,0,0,1|1,0,0]=3 2786 B9R1.2 CC1=NC(=CC=N1)CN MCULE-3171339115 [0,1,0,0,0,1|2,0,0]=4 2787 B9R1.2 CC1=NC(=CC=N1)CN MCULE-4272834972 [0,1,0,0,0,1|2,0,0]=4 2788 B9R1.2 CC1=NC(=CC=N1)CO MCULE-2120372317 [0,1,0,0,0,1|1,0,0]=3 2789 B9R1.2 CC1=NC(=CN=C1)CN MCULE-8921221099 [0,1,0,0,0,1|2,0,0]=4 2790 B9R1.2 CC1=NC(=NC=C1)CCl MCULE-7926457321 [0,1,0,0,0,1|2,0,0]=4 2791 B9R1.2 CC1=NC(=NC=C1)CN MCULE-4480894656 [0,1,0,0,0,1|2,0,0]=4 2792 B9R1.2 CC1=NC(=NC=C1)CN MCULE-9648780256 [0,1,0,0,0,1|2,0,0]=4 2793 B9R1.2 CC1=NC(=NC=C1)CN MCULE-9747395813 [0,1,0,0,0,1|2,0,0]=4 2794 B9R1.2 CC1=NC(=NC=C1)CO MCULE-6505609306 [0,1,0,0,0,1|1,0,0]=3 2795 B9R1.2 CC1=NC=CC(=C1)CBr MCULE-1189957288 [0,1,0,0,0,1|2,0,0]=4 2796 B9R1.2 CC1=NC=CC(=C1)CBr MCULE-9027127040 [0,1,0,0,0,1|2,0,0]=4 2797 B9R1.2 CC1=NC=CC(=C1)CCl MCULE-5798517092 [0,1,0,0,0,1|2,0,0]=4 2798 B9R1.2 CC1=NC=CC(=C1)CCl MCULE-9628358154 [0,1,0,0,0,1|2,0,0]=4 2799 B9R1.2 CC1=NC=CC(=C1)CN MCULE-4920011453 [0,1,0,0,0,1|2,0,0]=4 2800 B9R1.2 CC1=NC=CC(=C1)CN MCULE-5818055387 [0,1,0,0,0,1|2,0,0]=4 2801 B9R1.2 CC1=NC=CC(=C1)CO MCULE-1215488548 [0,1,0,0,0,1|1,0,0]=3 2802 B9R1.2 CC1=NC=CC(=N1)CCl MCULE-7118599281 [0,1,0,0,0,1|2,0,0]=4 2803 B9R1.2 CCC1=CC(=CC=C1)Br MCULE-1588128467 [0,1,0,0,0,1|2,0,0]=4 2804 B9R1.2 CCC1=CC(=CC=C1)C MCULE-5855615432 [0,1,0,0,0,1|2,0,0]=4 2805 B9R1.2 CCC1=CC(=CC=C1)Cl MCULE-7983820709 [0,1,0,0,0,1|2,0,0]=4 2806 B9R1.2 CCC1=CC(=CC=C1)N MCULE-8273392972 [0,1,0,0,0,1|2,0,0]=4 2807 B9R1.2 CCC1=CC(=CC=C1)O MCULE-6091136568 [0,1,0,0,0,1|2,0,0]=4 2808 B9R1.2 CCC1=CC(=CC=C1)S MCULE-7998173644 [0,1,0,0,0,1|2,0,0]=4 2809 B9R1.2 CCC1=CC(=CN=C1)Br MCULE-6288076775 [0,1,0,0,0,1|2,0,0]=4 2810 B9R1.2 CCC1=CC(=CN=C1)C MCULE-7404426802 [0,1,0,0,0,1|2,0,0]=4 2811 B9R1.2 CCC1=CC(=CN=C1)N MCULE-4908330879 [0,1,0,0,0,1|2,0,0]=4 2812 B9R1.2 CCC1=CC(=NC=C1)Br MCULE-1243238936 [0,1,0,0,0,1|2,0,0]=4 2813 B9R1.2 CCC1=CC(=NC=C1)C MCULE-2472596711 [0,1,0,0,0,1|2,0,0]=4 2814 B9R1.2 CCC1=CC(=NC=C1)Cl MCULE-9333105185 [0,1,0,0,0,1|2,0,0]=4 2815 B9R1.2 CCC1=CC(=NC=C1)N MCULE-5993229865 [0,1,0,0,0,1|2,0,0]=4 2816 B9R1.2 CCC1=CC(=NC=N1)Cl MCULE-9014287393 [0,1,0,0,0,1|2,0,0]=4 2817 B9R1.2 CCC1=CC(=O)NC=C1 MCULE-5087892769 [0,1,0,0,0,1|2,0,0]=4 2818 B9R1.2 CCC1=CC=CC(=C1)F MCULE-1961357182 [0,1,0,0,0,1|2,0,0]=4 2819 B9R1.2 CCC1=CC=CC(=C1)I MCULE-9371759727 [0,1,0,0,0,1|2,0,0]=4 2820 B9R1.2 CCC1=CC=CC(=N1)Br MCULE-7756432837 [0,1,0,0,0,1|2,0,0]=4 2821 B9R1.2 CCC1=CC=CC(=N1)Cl MCULE-3015168915 [0,1,0,0,0,1|2,0,0]=4 2822 B9R1.2 CCC1=CC=CC(=N1)N MCULE-6895989063 [0,1,0,0,0,1|2,0,0]=4 2823 B9R1.2 CCC1=CC=NC(=N1)N MCULE-2309763257 [0,1,0,0,0,1|2,0,0]=4 2824 B9R1.2 CCC1=CC=NC(=N1)O MCULE-7588072562 [0,1,0,0,0,1|2,0,0]=4 2825 B9R1.2 CCC1=CC=NC(=N1)O MCULE-9418348858 [0,1,0,0,0,1|2,0,0]=4 2826 B9R1.2 CCC1=CN=CC(=C1)Cl MCULE-6331123637 [0,1,0,0,0,1|2,0,0]=4 2827 B9R1.2 CCC1=CN=CC(=C1)O MCULE-3324386952 [0,1,0,0,0,1|2,0,0]=4 2828 B9R1.2 CCC1=CN=CC(=N1)Br MCULE-5872531273 [0,1,0,0,0,1|2,0,0]=4 2829 B9R1.2 CCC1=CN=CC(=N1)O MCULE-7624875346 [0,1,0,0,0,1|2,0,0]=4 2830 B9R1.2 CCC1=NC(=CC=C1)C MCULE-5304867634 [0,1,0,0,0,1|2,0,0]=4 2831 B9R1.2 CCC1=NC(=CC=N1)Cl MCULE-4027399723 [0,1,0,0,0,1|2,0,0]=4 2832 B9R1.2 CCC1=NC(=CC=N1)O MCULE-1139995034 [0,1,0,0,0,1|2,0,0]=4 2833 B9R1.2 CCC1=NC(=CN=C1)C MCULE-3684796586 [0,1,0,0,0,1|2,0,0]=4 2834 B9R1.2 CCC1=NC(=CN=C1)N MCULE-1819534921 [0,1,0,0,0,1|2,0,0]=4 2835 B9R1.2 CCC1=NC(=NC=C1)Cl MCULE-4659266009 [0,1,0,0,0,1|2,0,0]=4 2836 B9R1.2 CCC1=NC(=NC=C1)N MCULE-5418517861 [0,1,0,0,0,1|2,0,0]=4 2837 B9R1.2 CCC1=NC=CC(=C1)Br MCULE-1936026930 [0,1,0,0,0,1|2,0,0]=4 2838 B9R1.2 CCC1=NC=CC(=C1)N MCULE-6765276767 [0,1,0,0,0,1|2,0,0]=4 2839 B9R1.2 CCC1=NC=CC(=N1)Br MCULE-6353774818 [0,1,0,0,0,1|2,0,0]=4 2840 B9R1.2 CCC1=NC=NC(=C1)Br MCULE-3135795341 [0,1,0,0,0,1|2,0,0]=4 2841 B9R1.2 CCC1=NC=NC(=C1)N MCULE-3235300640 [0,1,0,0,0,1|2,0,0]=4 2842 B9R1.2 CCC1=NC=NC(=C1)O MCULE-7698961997 [0,1,0,0,0,1|2,0,0]=4 2843 B9R1.2 ClC1=CC(=CC=C1)CBr MCULE-2987345686 [0,1,0,0,0,1|2,0,0]=4 2844 B9R1.2 ClC1=CC(=CC=C1)CI MCULE-8673201236 [0,1,0,0,0,1|2,0,0]=4 2845 B9R1.2 ClC1=CC(=CN=C1)CBr MCULE-3005648314 [0,1,0,0,0,1|2,0,0]=4 2846 B9R1.2 ClC1=CC(=CN=C1)CBr MCULE-9698601875 [0,1,0,0,0,1|2,0,0]=4 2847 B9R1.2 ClC1=CC(=NC=C1)CBr MCULE-2701090169 [0,1,0,0,0,1|2,0,0]=4 2848 B9R1.2 ClC1=CC(=NC=C1)CBr MCULE-2759911781 [0,1,0,0,0,1|2,0,0]=4 2849 B9R1.2 ClC1=NC(=CC=C1)CBr MCULE-3523525200 [0,1,0,0,0,1|2,0,0]=4 2850 B9R1.2 ClC1=NC(=NC=C1)CBr MCULE-7121515961 [0,1,0,0,0,1|2,0,0]=4 2851 B9R1.2 ClC1=NC=CC(=C1)CBr MCULE-4572228797 [0,1,0,0,0,1|2,0,0]=4 2852 B9R1.2 ClC1=NC=CC(=C1)CBr MCULE-8316823382 [0,1,0,0,0,1|2,0,0]=4 2853 B9R1.2 ClC1=NC=CC(=N1)CBr MCULE-5289887542 [0,1,0,0,0,1|2,0,0]=4 2854 B9R1.2 ClCC1=CC(=CC=C1)Cl MCULE-5145355394 [0,1,0,0,0,1|2,0,0]=4 2855 B9R1.2 ClCC1=CC(=CC=C1)I MCULE-2675644555 [0,1,0,0,0,1|2,0,0]=4 2856 B9R1.2 ClCC1=CC(=CN=C1)Br MCULE-5248685568 [0,1,0,0,0,1|2,0,0]=4 2857 B9R1.2 ClCC1=CC(=CN=C1)Br MCULE-5357860986 [0,1,0,0,0,1|2,0,0]=4 2858 B9R1.2 ClCC1=CC(=CN=C1)I MCULE-3246714584 [0,1,0,0,0,1|2,0,0]=4 2859 B9R1.2 ClCC1=CC(=CN=C1)I MCULE-7886423827 [0,1,0,0,0,1|2,0,0]=4 2860 B9R1.2 ClCC1=CC(=NC=C1)Br MCULE-2675468167 [0,1,0,0,0,1|2,0,0]=4 2861 B9R1.2 ClCC1=CC(=NC=C1)Cl MCULE-7743800609 [0,1,0,0,0,1|2,0,0]=4 2862 B9R1.2 ClCC1=CC(=NC=C1)Cl MCULE-9472723279 [0,1,0,0,0,1|2,0,0]=4 2863 B9R1.2 ClCC1=CC=CC(=C1)Br MCULE-7392999171 [0,1,0,0,0,1|2,0,0]=4 2864 B9R1.2 ClCC1=CC=CC(=N1)Br MCULE-9497025366 [0,1,0,0,0,1|2,0,0]=4 2865 B9R1.2 ClCC1=CN=CC(=C1)Cl MCULE-7700122559 [0,1,0,0,0,1|2,0,0]=4 2866 B9R1.2 ClCC1=CN=CC(=C1)Cl MCULE-9383764021 [0,1,0,0,0,1|2,0,0]=4 2867 B9R1.2 ClCC1=NC(=CC=C1)Cl MCULE-1316232177 [0,1,0,0,0,1|2,0,0]=4 2868 B9R1.2 ClCC1=NC(=CC=N1)Br MCULE-8782460101 [0,1,0,0,0,1|2,0,0]=4 2869 B9R1.2 ClCC1=NC(=CC=N1)Cl MCULE-3564433040 [0,1,0,0,0,1|2,0,0]=4 2870 B9R1.2 ClCC1=NC(=NC=C1)Br MCULE-1930234865 [0,1,0,0,0,1|2,0,0]=4 2871 B9R1.2 ClCC1=NC(=NC=C1)Cl MCULE-4059519343 [0,1,0,0,0,1|2,0,0]=4 2872 B9R1.2 ClCC1=NC=CC(=C1)Br MCULE-1812006191 [0,1,0,0,0,1|2,0,0]=4 2873 B9R1.2 ClCC1=NC=CC(=C1)Cl MCULE-2524873159 [0,1,0,0,0,1|2,0,0]=4 2874 B9R1.2 ClCC1=NC=CC(=C1)Cl MCULE-5084087692 [0,1,0,0,0,1|2,0,0]=4 2875 B9R1.2 ClCC1=NC=NC(=C1)Cl MCULE-1013753979 [0,1,0,0,0,1|2,0,0]=4 2876 B9R1.2 FC1=CC(=CC=C1)CBr MCULE-7225244011 [0,1,0,0,0,1|2,0,0]=4 2877 B9R1.2 FC1=CC(=CC=C1)CCl MCULE-6489455259 [0,1,0,0,0,1|2,0,0]=4 2878 B9R1.2 FC1=CC(=CC=C1)CS MCULE-4191753749 [0,1,0,0,0,1|1,1,0]=4 2879 B9R1.2 FC1=CC(=CN=C1)CBr MCULE-2356153509 [0,1,0,0,0,1|2,0,0]=4 2880 B9R1.2 FC1=CC(=NC=C1)CBr MCULE-2356550381 [0,1,0,0,0,1|2,0,0]=4 2881 B9R1.2 FC1=CC(=NC=C1)CBr MCULE-9808566870 [0,1,0,0,0,1|2,0,0]=4 2882 B9R1.2 FC1=CC=CC(=N1)CBr MCULE-2796459021 [0,1,0,0,0,1|2,0,0]=4 2883 B9R1.2 FC1=CC=CC(=N1)CCl MCULE-3782014787 [0,1,0,0,0,1|2,0,0]=4 2884 B9R1.2 FC1=CC=NC(=N1)CCl MCULE-4055670888 [0,1,0,0,0,1|2,0,0]=4 2885 B9R1.2 FC1=CN=CC(=C1)CBr MCULE-3372608093 [0,1,0,0,0,1|2,0,0]=4 2886 B9R1.2 FC1=CN=CC(=C1)CCl MCULE-7276738377 [0,1,0,0,0,1|2,0,0]=4 2887 B9R1.2 FC1=CN=CC(=C1)CCl MCULE-7570024610 [0,1,0,0,0,1|2,0,0]=4 2888 B9R1.2 FC1=NC=CC(=C1)CBr MCULE-2449366086 [0,1,0,0,0,1|2,0,0]=4 2889 B9R1.2 FC1=NC=CC(=C1)CCl MCULE-2698160399 [0,1,0,0,0,1|2,0,0]=4 2890 B9R1.2 FCC1=CC(=CC=C1)Br MCULE-5716134001 [0,1,0,0,0,1|2,0,0]=4 2891 B9R1.2 FCC1=CC(=CC=C1)I MCULE-6987508935 [0,1,0,0,0,1|2,0,0]=4 2892 B9R1.2 FCC1=CC(=NC=N1)Cl MCULE-5251897325 [0,1,0,0,0,1|2,0,0]=4 2893 B9R1.2 FCC1=CC=NC(=C1)Br MCULE-9552124625 [0,1,0,0,0,1|2,0,0]=4 2894 B9R1.2 NC1=CC(=CC=C1)CO MCULE-4899627502 [0,1,0,0,0,1|1,0,0]=3 2895 B9R1.2 NC1=CC(=CC=N1)CCl MCULE-4540653472 [0,1,0,0,0,1|2,0,0]=4 2896 B9R1.2 NC1=CC(=CC=N1)CCl MCULE-7397535205 [0,1,0,0,0,1|2,0,0]=4 2897 B9R1.2 NC1=CC(=CN=C1)CBr MCULE-2259702566 [0,1,0,0,0,1|2,0,0]=4 2898 B9R1.2 NC1=CC(=CN=C1)CBr MCULE-9976795520 [0,1,0,0,0,1|2,0,0]=4 2899 B9R1.2 NC1=CC(=CN=C1)CO MCULE-6740023683 [0,1,0,0,0,1|1,0,0]=3 2900 B9R1.2 NC1=CC(=NC=C1)CO MCULE-6127566057 [0,1,0,0,0,1|1,0,0]=3 2901 B9R1.2 NC1=CC(=NC=C1)CO MCULE-6531686537 [0,1,0,0,0,1|1,0,0]=3 2902 B9R1.2 NC1=CC(=NC=N1)CO MCULE-8305637529 [0,1,0,0,0,1|1,0,0]=3 2903 B9R1.2 NC1=CC(=NC=N1)CO MCULE-9287656679 [0,1,0,0,0,1|1,0,0]=3 2904 B9R1.2 NC1=CC=CC(=C1)CBr MCULE-1466906170 [0,1,0,0,0,1|2,0,0]=4 2905 B9R1.2 NC1=CC=CC(=C1)CBr MCULE-9921878418 [0,1,0,0,0,1|2,0,0]=4 2906 B9R1.2 NC1=CC=CC(=C1)CF MCULE-2630799157 [0,1,0,0,0,1|2,0,0]=4 2907 B9R1.2 NC1=CC=CC(=N1)CO MCULE-1046059915 [0,1,0,0,0,1|1,0,0]=3 2908 B9R1.2 NC1=CC=NC(=N1)CCl MCULE-9260757542 [0,1,0,0,0,1|2,0,0]=4 2909 B9R1.2 NC1=CN=CC(=C1)CCl MCULE-9122338124 [0,1,0,0,0,1|2,0,0]=4 2910 B9R1.2 NC1=NC(=CC=C1)CBr MCULE-7737385370 [0,1,0,0,0,1|2,0,0]=4 2911 B9R1.2 NC1=NC(=CC=C1)CBr MCULE-8532520041 [0,1,0,0,0,1|2,0,0]=4 2912 B9R1.2 NC1=NC(=CC=N1)CO MCULE-2479811666 [0,1,0,0,0,1|1,0,0]=3 2913 B9R1.2 NC1=NC(=CN=C1)CO MCULE-3844745682 [0,1,0,0,0,1|1,0,0]=3 2914 B9R1.2 NC1=NC(=NC=C1)CCl MCULE-1113190578 [0,1,0,0,0,1|2,0,0]=4 2915 B9R1.2 NC1=NC(=NC=C1)CO MCULE-7267529203 [0,1,0,0,0,1|1,0,0]=3 2916 B9R1.2 NC1=NC=CC(=C1)CBr MCULE-1075161371 [0,1,0,0,0,1|2,0,0]=4 2917 B9R1.2 NC1=NC=CC(=C1)CBr MCULE-5833852347 [0,1,0,0,0,1|2,0,0]=4 2918 B9R1.2 NC1=NC=CC(=C1)CO MCULE-2643268795 [0,1,0,0,0,1|1,0,0]=3 2919 B9R1.2 NCC1=CC(=CC=C1)Br MCULE-3291445632 [0,1,0,0,0,1|2,0,0]=4 2920 B9R1.2 NCC1=CC(=CC=C1)Br MCULE-3689077620 [0,1,0,0,0,1|2,0,0]=4 2921 B9R1.2 NCC1=CC(=CC=C1)Cl MCULE-9988114982 [0,1,0,0,0,1|2,0,0]=4 2922 B9R1.2 NCC1=CC(=CC=C1)I MCULE-8837233480 [0,1,0,0,0,1|2,0,0]=4 2923 B9R1.2 NCC1=CC(=CC=C1)N MCULE-8354950998 [0,1,0,0,0,1|2,0,0]=4 2924 B9R1.2 NCC1=CC(=CN=C1)Br MCULE-3842218293 [0,1,0,0,0,1|2,0,0]=4 2925 B9R1.2 NCC1=CC(=CN=C1)Br MCULE-6700054036 [0,1,0,0,0,1|2,0,0]=4 2926 B9R1.2 NCC1=CC(=CN=C1)Br MCULE-9654941614 [0,1,0,0,0,1|2,0,0]=4 2927 B9R1.2 NCC1=CC(=CN=C1)Cl MCULE-5348721373 [0,1,0,0,0,1|2,0,0]=4 2928 B9R1.2 NCC1=CC(=CN=C1)F MCULE-1830767819 [0,1,0,0,0,1|2,0,0]=4 2929 B9R1.2 NCC1=CC(=CN=C1)F MCULE-6482243928 [0,1,0,0,0,1|2,0,0]=4 2930 B9R1.2 NCC1=CC(=NC=C1)Br MCULE-1304215656 [0,1,0,0,0,1|2,0,0]=4 2931 B9R1.2 NCC1=CC(=NC=C1)Br MCULE-1534688066 [0,1,0,0,0,1|2,0,0]=4 2932 B9R1.2 NCC1=CC(=NC=C1)Br MCULE-1915516422 [0,1,0,0,0,1|2,0,0]=4 2933 B9R1.2 NCC1=CC(=NC=C1)Cl MCULE-1602309754 [0,1,0,0,0,1|2,0,0]=4 2934 B9R1.2 NCC1=CC(=NC=C1)Cl MCULE-6880262691 [0,1,0,0,0,1|2,0,0]=4 2935 B9R1.2 NCC1=CC(=NC=C1)Cl MCULE-8517336717 [0,1,0,0,0,1|2,0,0]=4 2936 B9R1.2 NCC1=CC(=NC=C1)F MCULE-5319160774 [0,1,0,0,0,1|2,0,0]=4 2937 B9R1.2 NCC1=CC(=NC=C1)F MCULE-8656151085 [0,1,0,0,0,1|2,0,0]=4 2938 B9R1.2 NCC1=CC(=NC=C1)F MCULE-8830223795 [0,1,0,0,0,1|2,0,0]=4 2939 B9R1.2 NCC1=CC(=NC=C1)N MCULE-3651206953 [0,1,0,0,0,1|2,0,0]=4 2940 B9R1.2 NCC1=CC(=NC=C1)N MCULE-9610523619 [0,1,0,0,0,1|2,0,0]=4 2941 B9R1.2 NCC1=CC(=NC=C1)O MCULE-2478826216 [0,1,0,0,0,1|2,0,0]=4 2942 B9R1.2 NCC1=CC(=NC=C1)O MCULE-4173254640 [0,1,0,0,0,1|2,0,0]=4 2943 B9R1.2 NCC1=CC(=NC=N1)N MCULE-3108202863 [0,1,0,0,0,1|2,0,0]=4 2944 B9R1.2 NCC1=CC(=NC=N1)N MCULE-6113109955 [0,1,0,0,0,1|2,0,0]=4 2945 B9R1.2 NCC1=CC(=NC=N1)N MCULE-7634631249 [0,1,0,0,0,1|2,0,0]=4 2946 B9R1.2 NCC1=CC(=NC=N1)O MCULE-1699459290 [0,1,0,0,0,1|2,0,0]=4 2947 B9R1.2 NCC1=CC(=NC=N1)O MCULE-3024333147 [0,1,0,0,0,1|2,0,0]=4 2948 B9R1.2 NCC1=CC(=NC=N1)O MCULE-7802760486 [0,1,0,0,0,1|2,0,0]=4 2949 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-1956502849 [0,1,0,0,0,1|2,0,0]=4 2950 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-5081851358 [0,1,0,0,0,1|2,0,0]=4 2951 B9R1.2 NCC1=CC=CC(=C1)F MCULE-1073666690 [0,1,0,0,0,1|2,0,0]=4 2952 B9R1.2 NCC1=CC=CC(=C1)F MCULE-9934038494 [0,1,0,0,0,1|2,0,0]=4 2953 B9R1.2 NCC1=CC=CC(=C1)N MCULE-7251619266 [0,1,0,0,0,1|2,0,0]=4 2954 B9R1.2 NCC1=CC=CC(=C1)O MCULE-2833003511 [0,1,0,0,0,1|2,0,0]=4 2955 B9R1.2 NCC1=CC=CC(=C1)O MCULE-8966099978 [0,1,0,0,0,1|2,0,0]=4 2956 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-1386831282 [0,1,0,0,0,1|2,0,0]=4 2957 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-3025859735 [0,1,0,0,0,1|2,0,0]=4 2958 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-8335536241 [0,1,0,0,0,1|2,0,0]=4 2959 B9R1.2 NCC1=CC=C[N+](=C1)[O-] MCULE-1740017358 [0,1,0,0,0,1|2,0,0]=4 2960 B9R1.2 NCC1=CC=C[N+](=C1)[O-] MCULE-8494890894 [0,1,0,0,0,1|2,0,0]=4 2961 B9R1.2 NCC1=CN=CC(=C1)Cl MCULE-7788871344 [0,1,0,0,0,1|2,0,0]=4 2962 B9R1.2 NCC1=CN=CC(=C1)N MCULE-6785683788 [0,1,0,0,0,1|2,0,0]=4 2963 B9R1.2 NCC1=CN=CC(=C1)N MCULE-8381605871 [0,1,0,0,0,1|2,0,0]=4 2964 B9R1.2 NCC1=CN=CC(=C1)O MCULE-3110910803 [0,1,0,0,0,1|2,0,0]=4 2965 B9R1.2 NCC1=CN=CC(=N1)Cl MCULE-3649946642 [0,1,0,0,0,1|2,0,0]=4 2966 B9R1.2 NCC1=C[N+](=CC=C1)[O-] MCULE-2300271025 [0,1,0,0,0,1|2,0,0]=4 2967 B9R1.2 NCC1=NC(=CC=C1)Br MCULE-4528876749 [0,1,0,0,0,1|2,0,0]=4 2968 B9R1.2 NCC1=NC(=CC=C1)Br MCULE-9384153537 [0,1,0,0,0,1|2,0,0]=4 2969 B9R1.2 NCC1=NC(=CC=C1)Br MCULE-9394339295 [0,1,0,0,0,1|2,0,0]=4 2970 B9R1.2 NCC1=NC(=CC=C1)Cl MCULE-2085737726 [0,1,0,0,0,1|2,0,0]=4 2971 B9R1.2 NCC1=NC(=CC=C1)Cl MCULE-5148427859 [0,1,0,0,0,1|2,0,0]=4 2972 B9R1.2 NCC1=NC(=CC=C1)Cl MCULE-5554296237 [0,1,0,0,0,1|2,0,0]=4 2973 B9R1.2 NCC1=NC(=CC=C1)F MCULE-3488675672 [0,1,0,0,0,1|2,0,0]=4 2974 B9R1.2 NCC1=NC(=CC=C1)F MCULE-4117888832 [0,1,0,0,0,1|2,0,0]=4 2975 B9R1.2 NCC1=NC(=CC=C1)F MCULE-5268326004 [0,1,0,0,0,1|2,0,0]=4 2976 B9R1.2 NCC1=NC(=CC=C1)N MCULE-2307422365 [0,1,0,0,0,1|2,0,0]=4 2977 B9R1.2 NCC1=NC(=CC=C1)N MCULE-4069006565 [0,1,0,0,0,1|2,0,0]=4 2978 B9R1.2 NCC1=NC(=CC=N1)N MCULE-9666716914 [0,1,0,0,0,1|2,0,0]=4 2979 B9R1.2 NCC1=NC(=CC=N1)O MCULE-3098222425 [0,1,0,0,0,1|2,0,0]=4 2980 B9R1.2 NCC1=NC(=CN=C1)Cl MCULE-1758570525 [0,1,0,0,0,1|2,0,0]=4 2981 B9R1.2 NCC1=NC(=NC=C1)Cl MCULE-1088610790 [0,1,0,0,0,1|2,0,0]=4 2982 B9R1.2 NCC1=NC(=NC=C1)Cl MCULE-1760257589 [0,1,0,0,0,1|2,0,0]=4 2983 B9R1.2 NCC1=NC(=NC=C1)Cl MCULE-8821727665 [0,1,0,0,0,1|2,0,0]=4 2984 B9R1.2 NCC1=NC(=NC=C1)N MCULE-9471068819 [0,1,0,0,0,1|2,0,0]=4 2985 B9R1.2 NCC1=NC=CC(=C1)Br MCULE-1431869143 [0,1,0,0,0,1|2,0,0]=4 2986 B9R1.2 NCC1=NC=CC(=C1)Br MCULE-7447118056 [0,1,0,0,0,1|2,0,0]=4 2987 B9R1.2 NCC1=NC=CC(=C1)Br MCULE-7739611227 [0,1,0,0,0,1|2,0,0]=4 2988 B9R1.2 NCC1=NC=CC(=C1)Cl MCULE-2326414986 [0,1,0,0,0,1|2,0,0]=4 2989 B9R1.2 NCC1=NC=CC(=C1)Cl MCULE-5865731849 [0,1,0,0,0,1|2,0,0]=4 2990 B9R1.2 NCC1=NC=CC(=C1)Cl MCULE-8394396291 [0,1,0,0,0,1|2,0,0]=4 2991 B9R1.2 NCC1=NC=CC(=C1)F MCULE-6026814055 [0,1,0,0,0,1|2,0,0]=4 2992 B9R1.2 NCC1=NC=CC(=C1)F MCULE-6565713565 [0,1,0,0,0,1|2,0,0]=4 2993 B9R1.2 NCC1=NC=CC(=C1)F MCULE-9086975646 [0,1,0,0,0,1|2,0,0]=4 2994 B9R1.2 NCC1=NC=CC(=C1)I MCULE-1083138569 [0,1,0,0,0,1|2,0,0]=4 2995 B9R1.2 NCC1=NC=CC(=C1)N MCULE-1319071709 [0,1,0,0,0,1|2,0,0]=4 2996 B9R1.2 NCC1=NC=CC(=C1)N MCULE-4321632068 [0,1,0,0,0,1|2,0,0]=4 2997 B9R1.2 NCC1=NC=CC(=C1)O MCULE-1757669033 [0,1,0,0,0,1|2,0,0]=4 2998 B9R1.2 NCC1=NC=CC(=C1)O MCULE-2270006009 [0,1,0,0,0,1|2,0,0]=4 2999 B9R1.2 NCC1=NC=CC(=C1)O MCULE-4289972150 [0,1,0,0,0,1|2,0,0]=4 3000 B9R1.2 NCC1=NC=CC(=N1)Br MCULE-3070027541 [0,1,0,0,0,1|2,0,0]=4 3001 B9R1.2 NCC1=NC=CC(=N1)Cl MCULE-2442673985 [0,1,0,0,0,1|2,0,0]=4 3002 B9R1.2 NCC1=NC=CC(=N1)Cl MCULE-5899958027 [0,1,0,0,0,1|2,0,0]=4 3003 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-2949674461 [0,1,0,0,0,1|2,0,0]=4 3004 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-5370705710 [0,1,0,0,0,1|2,0,0]=4 3005 B9R1.2 NCC1=NC=NC(=C1)Cl MCULE-1282834870 [0,1,0,0,0,1|2,0,0]=4 3006 B9R1.2 O=C1C=C(C=CN1)CCl MCULE-8248663590 [0,1,0,0,0,1|2,0,0]=4 3007 B9R1.2 O=C1C=C(C=CN1)CO MCULE-2738457100 [0,1,0,0,0,1|1,0,0]=3 3008 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,0,0,1|1,0,1]=4 3009 B9R1.2 O=C1C=C(N=CN1)CO MCULE-7770481872 [0,1,0,0,0,1|1,0,0]=3 3010 B9R1.2 O=C1C=C(NC=N1)CCl MCULE-4132248602 [0,1,0,0,0,1|2,0,0]=4 3011 B9R1.2 O=C1C=CN=C(N1)CCl MCULE-3488826665 [0,1,0,0,0,1|2,0,0]=4 3012 B9R1.2 O=C1N=CC=C(N1)NO MCULE-5574799516 [0,1,0,0,0,1|2,0,0]=4 3013 B9R1.2 OC1=CC(=CC=C1)CCl MCULE-2928042100 [0,1,0,0,0,1|2,0,0]=4 3014 B9R1.2 OC1=CC(=CC=C1)CS MCULE-9840748332 [0,1,0,0,0,1|1,1,0]=4 3015 B9R1.2 OC1=CC(=NC=C1)CCl MCULE-2992022575 [0,1,0,0,0,1|2,0,0]=4 3016 B9R1.2 OC1=CC=CC(=C1)CBr MCULE-5357892360 [0,1,0,0,0,1|2,0,0]=4 3017 B9R1.2 OCC1=CC(=CC=C1)Cl MCULE-9415372998 [0,1,0,0,0,1|1,0,0]=3 3018 B9R1.2 OCC1=CC(=CC=C1)F MCULE-3447481191 [0,1,0,0,0,1|1,0,0]=3 3019 B9R1.2 OCC1=CC(=CC=C1)I MCULE-5382753822 [0,1,0,0,0,1|1,0,0]=3 3020 B9R1.2 OCC1=CC(=CC=C1)O MCULE-7074343589 [0,1,0,0,0,1|1,0,0]=3 3021 B9R1.2 OCC1=CC(=CC=C1)S MCULE-5858509817 [0,1,0,0,0,1|1,0,0]=3 3022 B9R1.2 OCC1=CC(=CC=N1)I MCULE-1574620200 [0,1,0,0,0,1|1,0,0]=3 3023 B9R1.2 OCC1=CC(=CN=C1)Br MCULE-5646643820 [0,1,0,0,0,1|1,0,0]=3 3024 B9R1.2 OCC1=CC(=CN=C1)Br MCULE-6065684206 [0,1,0,0,0,1|1,0,0]=3 3025 B9R1.2 OCC1=CC(=CN=C1)Cl MCULE-7779909306 [0,1,0,0,0,1|1,0,0]=3 3026 B9R1.2 OCC1=CC(=CN=C1)F MCULE-5705162776 [0,1,0,0,0,1|1,0,0]=3 3027 B9R1.2 OCC1=CC(=CN=C1)I MCULE-1152743624 [0,1,0,0,0,1|1,0,0]=3 3028 B9R1.2 OCC1=CC(=NC=C1)Br MCULE-9518324234 [0,1,0,0,0,1|1,0,0]=3 3029 B9R1.2 OCC1=CC(=NC=C1)Cl MCULE-4683929417 [0,1,0,0,0,1|1,0,0]=3 3030 B9R1.2 OCC1=CC(=NC=N1)Cl MCULE-4221681249 [0,1,0,0,0,1|1,0,0]=3 3031 B9R1.2 OCC1=CC=CC(=C1)Br MCULE-7051260776 [0,1,0,0,0,1|1,0,0]=3 3032 B9R1.2 OCC1=CC=CC(=N1)Cl MCULE-9109112577 [0,1,0,0,0,1|1,0,0]=3 3033 B9R1.2 OCC1=CC=NC(=C1)F MCULE-8046815554 [0,1,0,0,0,1|1,0,0]=3 3034 B9R1.2 OCC1=CN=CC(=C1)O MCULE-3591435563 [0,1,0,0,0,1|1,0,0]=3 3035 B9R1.2 OCC1=CN=CC(=N1)Br MCULE-9666121679 [0,1,0,0,0,1|1,0,0]=3 3036 B9R1.2 OCC1=NC(=CC=C1)Br MCULE-1789052666 [0,1,0,0,0,1|1,0,0]=3 3037 B9R1.2 OCC1=NC(=CC=C1)Cl MCULE-2737637534 [0,1,0,0,0,1|1,0,0]=3 3038 B9R1.2 OCC1=NC(=CC=C1)F MCULE-7950812741 [0,1,0,0,0,1|1,0,0]=3 3039 B9R1.2 OCC1=NC(=CC=C1)I MCULE-8676926621 [0,1,0,0,0,1|1,0,0]=3 3040 B9R1.2 OCC1=NC(=CC=C1)O MCULE-2555912313 [0,1,0,0,0,1|1,0,0]=3 3041 B9R1.2 OCC1=NC(=CN=C1)Cl MCULE-6053829822 [0,1,0,0,0,1|1,0,0]=3 3042 B9R1.2 OCC1=NC(=NC=C1)Br MCULE-3275545768 [0,1,0,0,0,1|1,0,0]=3 3043 B9R1.2 OCC1=NC(=NC=C1)Cl MCULE-4803643400 [0,1,0,0,0,1|1,0,0]=3 3044 B9R1.2 OCC1=NC=CC(=C1)Br MCULE-4756730593 [0,1,0,0,0,1|1,0,0]=3 3045 B9R1.2 OCC1=NC=CC(=C1)Cl MCULE-2577180587 [0,1,0,0,0,1|1,0,0]=3 3046 B9R1.2 OCC1=NC=CC(=C1)Cl MCULE-7592179673 [0,1,0,0,0,1|1,0,0]=3 3047 B9R1.2 OCC1=NC=CC(=C1)F MCULE-2953328480 [0,1,0,0,0,1|1,0,0]=3 3048 B9R1.2 OCC1=NC=CC(=C1)O MCULE-8676575507 [0,1,0,0,0,1|1,0,0]=3 3049 B9R1.2 OCC1=NC=CC(=N1)Cl MCULE-7275699433 [0,1,0,0,0,1|1,0,0]=3 3050 B9R1.2 SCC1=CC(=CC=C1)Br MCULE-8205499677 [0,1,0,0,0,1|1,1,0]=4 3051 B9R1.2 SCC1=CC=CC(=C1)Cl MCULE-2987749806 [0,1,0,0,0,1|1,1,0]=4 3052 B9R1.2 [NH3+]CC1=CC(=CC=C1)I MCULE-2942462315 [0,1,0,0,0,1|2,0,0]=4 3053 B9R1.2 [O-][N+]1=CC=CC(=C1)CCl MCULE-2404191842 [0,1,0,0,0,1|2,0,0]=4 3054 B9R1.2 [O-][N+]1=CC=CC(=C1)CO MCULE-3403956668 [0,1,0,0,0,1|1,0,0]=3 3055 B9R1.6 BrC(Br)C1=CC=CC=C1 MCULE-8091277698 [0,1,0,0,0,1|2,0,0]=4 3056 B9R1.6 CC(Br)C1=CC=CC=C1 MCULE-6317047431 [0,1,0,0,0,1|2,0,0]=4 3057 B9R1.6 CC(Br)C1=CC=NC=C1 MCULE-1115245601 [0,1,0,0,0,1|2,0,0]=4 3058 B9R1.6 CC(Br)C1=CC=NC=C1 MCULE-9475556586 [0,1,0,0,0,1|2,0,0]=4 3059 B9R1.6 CC(Br)C1=CN=CC=C1 MCULE-4777133753 [0,1,0,0,0,1|2,0,0]=4 3060 B9R1.6 CC(Br)C1=CN=CC=C1 MCULE-8800024931 [0,1,0,0,0,1|2,0,0]=4 3061 B9R1.6 CC(Br)C1=CN=CC=N1 MCULE-5399951953 [0,1,0,0,0,1|2,0,0]=4 3062 B9R1.6 CC(Br)C1=NC=CC=C1 MCULE-4605696357 [0,1,0,0,0,1|2,0,0]=4 3063 B9R1.6 CC(Br)C1=NC=CC=C1 MCULE-7799771060 [0,1,0,0,0,1|2,0,0]=4 3064 B9R1.6 CC(C)C1=CC=CC=C1 MCULE-3652295432 [0,1,0,0,0,1|2,0,0]=4 3065 B9R1.6 CC(C)C1=CC=CCC1 MCULE-7070052938 [0,1,0,0,0,1|2,0,0]=4 3066 B9R1.6 CC(C)C1=CC=CN=C1 MCULE-9719717966 [0,1,0,0,0,1|2,0,0]=4 3067 B9R1.6 CC(C)C1=CC=NC=C1 MCULE-3481765633 [0,1,0,0,0,1|2,0,0]=4 3068 B9R1.6 CC(C)C1=CN=CC=N1 MCULE-9367572523 [0,1,0,0,0,1|2,0,0]=4 3069 B9R1.6 CC(C)C1=NC=CC=C1 MCULE-8892038760 [0,1,0,0,0,1|2,0,0]=4 3070 B9R1.6 CC(C)C1=NC=CC=N1 MCULE-3300060051 [0,1,0,0,0,1|2,0,0]=4 3071 B9R1.6 CC(Cl)C1=CC=CC=C1 MCULE-7314508180 [0,1,0,0,0,1|2,0,0]=4 3072 B9R1.6 CC(Cl)C1=CC=NC=C1 MCULE-5018149190 [0,1,0,0,0,1|2,0,0]=4 3073 B9R1.6 CC(Cl)C1=CC=NC=C1 MCULE-9351708390 [0,1,0,0,0,1|2,0,0]=4 3074 B9R1.6 CC(Cl)C1=CN=CC=C1 MCULE-1290997299 [0,1,0,0,0,1|2,0,0]=4 3075 B9R1.6 CC(Cl)C1=CN=CC=C1 MCULE-9253354607 [0,1,0,0,0,1|2,0,0]=4 3076 B9R1.6 CC(Cl)C1=NC=CC=C1 MCULE-2686847320 [0,1,0,0,0,1|2,0,0]=4 3077 B9R1.6 CC(Cl)C1=NC=CC=C1 MCULE-2995039319 [0,1,0,0,0,1|2,0,0]=4 3078 B9R1.6 CC(Cl)C1=NC=CC=N1 MCULE-2104637798 [0,1,0,0,0,1|2,0,0]=4 3079 B9R1.6 CC(Cl)C1=NC=CC=N1 MCULE-2356598527 [0,1,0,0,0,1|2,0,0]=4 3080 B9R1.6 CC(Cl)C1=NC=CN=C1 MCULE-8053647851 [0,1,0,0,0,1|2,0,0]=4 3081 B9R1.6 CC(I)C1=CC=CC=C1 MCULE-2624111068 [0,1,0,0,0,1|2,0,0]=4 3082 B9R1.6 CC(N)C1=CC=CC=C1 MCULE-1600765787 [0,1,0,0,0,1|2,0,0]=4 3083 B9R1.6 CC(N)C1=CC=CC=C1 MCULE-3630265258 [0,1,0,0,0,1|2,0,0]=4 3084 B9R1.6 CC(N)C1=CC=CC=C1 MCULE-6637542099 [0,1,0,0,0,1|2,0,0]=4 3085 B9R1.6 CC(N)C1=CC=CN=C1 MCULE-2426928778 [0,1,0,0,0,1|2,0,0]=4 3086 B9R1.6 CC(N)C1=CC=CN=C1 MCULE-3910428497 [0,1,0,0,0,1|2,0,0]=4 3087 B9R1.6 CC(N)C1=CC=CN=C1 MCULE-4989243930 [0,1,0,0,0,1|2,0,0]=4 3088 B9R1.6 CC(N)C1=CC=CN=C1 MCULE-6134568184 [0,1,0,0,0,1|2,0,0]=4 3089 B9R1.6 CC(N)C1=CC=NC=C1 MCULE-4741651398 [0,1,0,0,0,1|2,0,0]=4 3090 B9R1.6 CC(N)C1=CC=NC=C1 MCULE-6582626928 [0,1,0,0,0,1|2,0,0]=4 3091 B9R1.6 CC(N)C1=CC=NC=C1 MCULE-7373384521 [0,1,0,0,0,1|2,0,0]=4 3092 B9R1.6 CC(N)C1=CC=NC=C1 MCULE-8889647802 [0,1,0,0,0,1|2,0,0]=4 3093 B9R1.6 CC(N)C1=CC=NC=C1 MCULE-9810704719 [0,1,0,0,0,1|2,0,0]=4 3094 B9R1.6 CC(N)C1=CN=CC=C1 MCULE-7934241376 [0,1,0,0,0,1|2,0,0]=4 3095 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-2513599136 [0,1,0,0,0,1|2,0,0]=4 3096 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-3189819561 [0,1,0,0,0,1|2,0,0]=4 3097 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-3243571950 [0,1,0,0,0,1|2,0,0]=4 3098 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-3478719404 [0,1,0,0,0,1|2,0,0]=4 3099 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-8196894000 [0,1,0,0,0,1|2,0,0]=4 3100 B9R1.6 CC(N)C1=NC=CC=C1 MCULE-9241117669 [0,1,0,0,0,1|2,0,0]=4 3101 B9R1.6 CC(N)C1=NC=CC=N1 MCULE-3813657611 [0,1,0,0,0,1|2,0,0]=4 3102 B9R1.6 CC(N)C1=NC=CC=N1 MCULE-4672039311 [0,1,0,0,0,1|2,0,0]=4 3103 B9R1.6 CC(N)C1=NC=CC=N1 MCULE-5120042064 [0,1,0,0,0,1|2,0,0]=4 3104 B9R1.6 CC(N)C1=NC=CC=N1 MCULE-6440240599 [0,1,0,0,0,1|2,0,0]=4 3105 B9R1.6 CC(N)C1=NC=CN=C1 MCULE-6304206583 [0,1,0,0,0,1|2,0,0]=4 3106 B9R1.6 CC(N)C1=NC=CN=C1 MCULE-8183055878 [0,1,0,0,0,1|2,0,0]=4 3107 B9R1.6 CC(N)C1=NC=CN=C1 MCULE-9820345573 [0,1,0,0,0,1|2,0,0]=4 3108 B9R1.6 CC(N)C1=NC=NC=C1 MCULE-3128838612 [0,1,0,0,0,1|2,0,0]=4 3109 B9R1.6 CC(N)C1=NC=NC=C1 MCULE-9641564469 [0,1,0,0,0,1|2,0,0]=4 3110 B9R1.6 CC(N)C1=NN=CC=C1 MCULE-9016737858 [0,1,0,0,0,1|2,0,0]=4 3111 B9R1.6 CC(O)C1=CC=CC=C1 MCULE-1985443213 [0,1,0,0,0,1|1,0,0]=3 3112 B9R1.6 CC(O)C1=CC=CC=C1 MCULE-4930948898 [0,1,0,0,0,1|1,0,0]=3 3113 B9R1.6 CC(O)C1=CC=NC=C1 MCULE-2900889532 [0,1,0,0,0,1|1,0,0]=3 3114 B9R1.6 CC(O)C1=CC=NC=C1 MCULE-2957917346 [0,1,0,0,0,1|1,0,0]=3 3115 B9R1.6 CC(O)C1=CCCOC1 MCULE-6412552042 [0,1,0,0,0,1|0,0,2]=4 3116 B9R1.6 CC(O)C1=CN=CC=C1 MCULE-8528239439 [0,1,0,0,0,1|1,0,0]=3 3117 B9R1.6 CC(O)C1=CN=CN=C1 MCULE-6213533949 [0,1,0,0,0,1|2,0,0]=4 3118 B9R1.6 CC(O)C1=NC=CC=C1 MCULE-4614966921 [0,1,0,0,0,1|1,0,0]=3 3119 B9R1.6 CC(O)C1=NC=CC=C1 MCULE-6155912379 [0,1,0,0,0,1|1,0,0]=3 3120 B9R1.6 CC(O)C1=NC=CC=N1 MCULE-5429237303 [0,1,0,0,0,1|1,0,0]=3 3121 B9R1.6 CC(O)C1=NC=CN=C1 MCULE-4414742046 [0,1,0,0,0,1|1,0,0]=3 3122 B9R1.6 CC(O)C1=NN=CC=C1 MCULE-4160526721 [0,1,0,0,0,1|1,0,0]=3 3123 B9R1.6 CC(S)C1=CC=CC=C1 MCULE-4536552201 [0,1,0,0,0,1|1,1,0]=4 3124 B9R1.6 C[C@@H](N)C1=CC=CC=C1 MCULE-1907598521 [0,1,0,0,0,1|2,0,0]=4 3125 B9R1.6 C[C@@H](N)C1=CC=CC=C1 MCULE-3448548814 [0,1,0,0,0,1|2,0,0]=4 3126 B9R1.6 C[C@@H](N)C1=CC=CC=C1 MCULE-5411292127 [0,1,0,0,0,1|2,0,0]=4 3127 B9R1.6 C[C@@H](N)C1=CC=CN=C1 MCULE-1939842111 [0,1,0,0,0,1|2,0,0]=4 3128 B9R1.6 C[C@@H](N)C1=CC=CN=C1 MCULE-3656915561 [0,1,0,0,0,1|2,0,0]=4 3129 B9R1.6 C[C@@H](N)C1=CC=CN=C1 MCULE-3668657694 [0,1,0,0,0,1|2,0,0]=4 3130 B9R1.6 C[C@@H](N)C1=CC=CN=C1 MCULE-9633786314 [0,1,0,0,0,1|2,0,0]=4 3131 B9R1.6 C[C@@H](N)C1=CC=NC=C1 MCULE-1941933443 [0,1,0,0,0,1|2,0,0]=4 3132 B9R1.6 C[C@@H](N)C1=CC=NC=C1 MCULE-3489597816 [0,1,0,0,0,1|2,0,0]=4 3133 B9R1.6 C[C@@H](N)C1=CC=NC=C1 MCULE-3625003419 [0,1,0,0,0,1|2,0,0]=4 3134 B9R1.6 C[C@@H](N)C1=CC=NC=C1 MCULE-5436735347 [0,1,0,0,0,1|2,0,0]=4 3135 B9R1.6 C[C@@H](N)C1=CC=NC=C1 MCULE-7482840647 [0,1,0,0,0,1|2,0,0]=4 3136 B9R1.6 C[C@@H](N)C1=CC=NC=C1 MCULE-8617509456 [0,1,0,0,0,1|2,0,0]=4 3137 B9R1.6 C[C@@H](N)C1=CN=CC=C1 MCULE-1524255080 [0,1,0,0,0,1|2,0,0]=4 3138 B9R1.6 C[C@@H](N)C1=CN=CC=C1 MCULE-5691964019 [0,1,0,0,0,1|2,0,0]=4 3139 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-1202382499 [0,1,0,0,0,1|2,0,0]=4 3140 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-1204300650 [0,1,0,0,0,1|2,0,0]=4 3141 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-1481593257 [0,1,0,0,0,1|2,0,0]=4 3142 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-3397880254 [0,1,0,0,0,1|2,0,0]=4 3143 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-4876944154 [0,1,0,0,0,1|2,0,0]=4 3144 B9R1.6 C[C@@H](N)C1=NC=CC=C1 MCULE-5149427942 [0,1,0,0,0,1|2,0,0]=4 3145 B9R1.6 C[C@@H](N)C1=NC=CC=N1 MCULE-6418881736 [0,1,0,0,0,1|2,0,0]=4 3146 B9R1.6 C[C@@H](N)C1=NC=CC=N1 MCULE-9544671149 [0,1,0,0,0,1|2,0,0]=4 3147 B9R1.6 C[C@@H](N)C1=NC=CN=C1 MCULE-1974751694 [0,1,0,0,0,1|2,0,0]=4 3148 B9R1.6 C[C@@H](N)C1=NC=CN=C1 MCULE-2559692133 [0,1,0,0,0,1|2,0,0]=4 3149 B9R1.6 C[C@@H](N)C1=NC=CN=C1 MCULE-5418906935 [0,1,0,0,0,1|2,0,0]=4 3150 B9R1.6 C[C@@H](N)C1=NC=CN=C1 MCULE-8879939656 [0,1,0,0,0,1|2,0,0]=4 3151 B9R1.6 C[C@@H](O)C1=CC=CC=C1 MCULE-2257837124 [0,1,0,0,0,1|1,0,0]=3 3152 B9R1.6 C[C@@H](O)C1=CC=CC=C1 MCULE-5085624696 [0,1,0,0,0,1|1,0,0]=3 3153 B9R1.6 C[C@@H](O)C1=CC=NC=C1 MCULE-3878694442 [0,1,0,0,0,1|1,0,0]=3 3154 B9R1.6 C[C@@H](O)C1=CC=NC=C1 MCULE-8787984442 [0,1,0,0,0,1|1,0,0]=3 3155 B9R1.6 C[C@@H](O)C1=CN=CC=C1 MCULE-2458883410 [0,1,0,0,0,1|1,0,0]=3 3156 B9R1.6 C[C@@H](O)C1=CN=CC=C1 MCULE-4460238058 [0,1,0,0,0,1|1,0,0]=3 3157 B9R1.6 C[C@@H](O)C1=NC=CC=C1 MCULE-4993437735 [0,1,0,0,0,1|1,0,0]=3 3158 B9R1.6 C[C@@H](O)C1=NC=CC=C1 MCULE-6904724355 [0,1,0,0,0,1|1,0,0]=3 3159 B9R1.6 C[C@@H](O)C1=NC=CC=N1 MCULE-6089424904 [0,1,0,0,0,1|1,0,0]=3 3160 B9R1.6 C[C@@H](O)C1=NC=CN=C1 MCULE-6158743400 [0,1,0,0,0,1|1,0,0]=3 3161 B9R1.6 C[C@@H](O)C1=NN=CC=C1 MCULE-9058481155 [0,1,0,0,0,1|1,0,0]=3 3162 B9R1.6 C[C@H](N)C1=CC=CC=C1 MCULE-1674796104 [0,1,0,0,0,1|2,0,0]=4 3163 B9R1.6 C[C@H](N)C1=CC=CC=C1 MCULE-6531880178 [0,1,0,0,0,1|2,0,0]=4 3164 B9R1.6 C[C@H](N)C1=CC=CC=C1 MCULE-6602875097 [0,1,0,0,0,1|2,0,0]=4 3165 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-1151716127 [0,1,0,0,0,1|2,0,0]=4 3166 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-2147816245 [0,1,0,0,0,1|2,0,0]=4 3167 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-3651096703 [0,1,0,0,0,1|2,0,0]=4 3168 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-7016754244 [0,1,0,0,0,1|2,0,0]=4 3169 B9R1.6 C[C@H](N)C1=CC=CN=C1 MCULE-7191860266 [0,1,0,0,0,1|2,0,0]=4 3170 B9R1.6 C[C@H](N)C1=CC=NC=C1 MCULE-1426809173 [0,1,0,0,0,1|2,0,0]=4 3171 B9R1.6 C[C@H](N)C1=CC=NC=C1 MCULE-1669894308 [0,1,0,0,0,1|2,0,0]=4 3172 B9R1.6 C[C@H](N)C1=CC=NC=C1 MCULE-3291124535 [0,1,0,0,0,1|2,0,0]=4 3173 B9R1.6 C[C@H](N)C1=CC=NC=C1 MCULE-4384281944 [0,1,0,0,0,1|2,0,0]=4 3174 B9R1.6 C[C@H](N)C1=CC=NC=C1 MCULE-4487399503 [0,1,0,0,0,1|2,0,0]=4 3175 B9R1.6 C[C@H](N)C1=CN=CC=C1 MCULE-9218110938 [0,1,0,0,0,1|2,0,0]=4 3176 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-2806894835 [0,1,0,0,0,1|2,0,0]=4 3177 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-4499283212 [0,1,0,0,0,1|2,0,0]=4 3178 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-4660902824 [0,1,0,0,0,1|2,0,0]=4 3179 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-4833827278 [0,1,0,0,0,1|2,0,0]=4 3180 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-6014549345 [0,1,0,0,0,1|2,0,0]=4 3181 B9R1.6 C[C@H](N)C1=NC=CC=C1 MCULE-6875629934 [0,1,0,0,0,1|2,0,0]=4 3182 B9R1.6 C[C@H](N)C1=NC=CC=N1 MCULE-3339689104 [0,1,0,0,0,1|2,0,0]=4 3183 B9R1.6 C[C@H](N)C1=NC=CC=N1 MCULE-3885968189 [0,1,0,0,0,1|2,0,0]=4 3184 B9R1.6 C[C@H](N)C1=NC=CC=N1 MCULE-5384886923 [0,1,0,0,0,1|2,0,0]=4 3185 B9R1.6 C[C@H](N)C1=NC=CC=N1 MCULE-9280481748 [0,1,0,0,0,1|2,0,0]=4 3186 B9R1.6 C[C@H](N)C1=NC=CN=C1 MCULE-5093950703 [0,1,0,0,0,1|2,0,0]=4 3187 B9R1.6 C[C@H](N)C1=NC=CN=C1 MCULE-6687991148 [0,1,0,0,0,1|2,0,0]=4 3188 B9R1.6 C[C@H](O)C1=CC=CC=C1 MCULE-3837431238 [0,1,0,0,0,1|1,0,0]=3 3189 B9R1.6 C[C@H](O)C1=CC=CC=C1 MCULE-9951781231 [0,1,0,0,0,1|1,0,0]=3 3190 B9R1.6 C[C@H](O)C1=CC=CN=C1 MCULE-4254676435 [0,1,0,0,0,1|1,0,0]=3 3191 B9R1.6 C[C@H](O)C1=CC=NC=C1 MCULE-7683661104 [0,1,0,0,0,1|1,0,0]=3 3192 B9R1.6 C[C@H](O)C1=CC=NC=C1 MCULE-9663767139 [0,1,0,0,0,1|1,0,0]=3 3193 B9R1.6 C[C@H](O)C1=CN=CC=C1 MCULE-9700495518 [0,1,0,0,0,1|1,0,0]=3 3194 B9R1.6 C[C@H](O)C1=NC=CC=C1 MCULE-1956548730 [0,1,0,0,0,1|1,0,0]=3 3195 B9R1.6 C[C@H](O)C1=NC=CC=C1 MCULE-6626087879 [0,1,0,0,0,1|1,0,0]=3 3196 B9R1.6 C[C@H](O)C1=NC=CC=N1 MCULE-3350731961 [0,1,0,0,0,1|1,0,0]=3 3197 B9R1.6 C[C@H](O)C1=NC=CN=C1 MCULE-7964754707 [0,1,0,0,0,1|1,0,0]=3 3198 B9R1.6 C[C@H](O)C1=NC=NC=C1 MCULE-5929602167 [0,1,0,0,0,1|1,0,0]=3 3199 B9R1.6 ClC(Cl)C1=CC=CC=C1 MCULE-5551252494 [0,1,0,0,0,1|2,0,0]=4 3200 B9R1.6 ClC(Cl)C1=CC=NC=C1 MCULE-7361274394 [0,1,0,0,0,1|2,0,0]=4 3201 B9R1.6 FC(F)C1=CC=CC=C1 MCULE-5988028271 [0,1,0,0,0,1|2,0,0]=4 3202 B9R1.6 FC(F)C1=CC=NC=C1 MCULE-1573461409 [0,1,0,0,0,1|2,0,0]=4 3203 B9R1.6 FC(F)C1=CN=CC=C1 MCULE-4157891831 [0,1,0,0,0,1|2,0,0]=4 3204 B9R1.6 FC(F)C1=NC=CC=C1 MCULE-2567077148 [0,1,0,0,0,1|2,0,0]=4 3205 B9R1.6 FC(F)C1=NC=CN=C1 MCULE-2540792088 [0,1,0,0,0,1|2,0,0]=4 3206 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-4193677899 [0,1,0,0,0,1|1,0,1]=4 3207 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-4467353796 [0,1,0,0,0,1|1,0,1]=4 3208 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-5568997402 [0,1,0,0,0,1|1,0,1]=4 3209 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-5754802516 [0,1,0,0,0,1|1,0,1]=4 3210 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-6090736102 [0,1,0,0,0,1|1,0,1]=4 3211 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-6741432668 [0,1,0,0,0,1|1,0,1]=4 3212 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-7145299919 [0,1,0,0,0,1|1,0,1]=4 3213 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-8355780752 [0,1,0,0,0,1|1,0,1]=4 3214 B9R1.6 O=C(O)C1=CC=CC=N1 MCULE-6881755701 [0,1,0,0,0,1|1,0,1]=4 3215 B9R1.6 O=C(O)C1=CC=CN=C1 MCULE-3788394698 [0,1,0,0,0,1|1,0,1]=4 3216 B9R1.6 O=C(O)C1=CC=NC=C1 MCULE-4582819440 [0,1,0,0,0,1|1,0,1]=4 3217 B9R1.6 O=C(O)C1=CC=NC=N1 MCULE-5378963231 [0,1,0,0,0,1|1,0,1]=4 3218 B9R1.6 O=C(O)C1=CN=CC=C1 MCULE-6679024547 [0,1,0,0,0,1|1,0,1]=4 3219 B9R1.6 O=C(O)C1=CN=CC=N1 MCULE-8414492991 [0,1,0,0,0,1|1,0,1]=4 3220 B9R1.6 O=C(O)C1=NC=CC=C1 MCULE-1025041475 [0,1,0,0,0,1|1,0,1]=4 3221 B9R1.6 O=C(O)C1=NC=CC=N1 MCULE-1770737133 [0,1,0,0,0,1|1,0,1]=4 3222 B9R1.6 O=C(O)C1=NN=CC=C1 MCULE-1209477716 [0,1,0,0,0,1|1,0,1]=4 3223 B9R1.6 O=C(O)C1=NN=CC=C1 MCULE-8785090866 [0,1,0,0,0,1|1,0,1]=4 3224 B9R1.6 O=S(O)C1=CC=CC=C1 MCULE-6343931944 [0,1,0,0,0,1|2,0,0]=4 3225 B9R1.6 O=S(O)C1=CN=CC=C1 MCULE-2092147555 [0,1,0,0,0,1|2,0,0]=4 3226 B9R1.6 O=S(O)C1=CN=CC=C1 MCULE-6698166959 [0,1,0,0,0,1|2,0,0]=4 3227 B9R1.6 O=S(O)C1=NC=CC=C1 MCULE-4645749820 [0,1,0,0,0,1|2,0,0]=4 3228 B9R1.6 O=[Se](O)C1=CC=CC=C1 MCULE-1071286798 [0,1,0,0,0,1|2,0,0]=4 3229 B9R1.6 OB(O)C1=CC=CC=C1 MCULE-4283108011 [0,1,0,0,0,1|2,0,0]=4 3230 B9R1.6 OB(O)C1=CC=CN=C1 MCULE-2870246858 [0,1,0,0,0,1|2,0,0]=4 3231 B9R1.6 OB(O)C1=CC=NC=C1 MCULE-2683701590 [0,1,0,0,0,1|2,0,0]=4 3232 B9R1.6 OB(O)C1=CC=NC=C1 MCULE-8347634876 [0,1,0,0,0,1|2,0,0]=4 3233 B9R1.6 OB(O)C1=CC=NC=N1 MCULE-1496635664 [0,1,0,0,0,1|2,0,0]=4 3234 B9R1.6 OB(O)C1=CN=CC=C1 MCULE-2775522608 [0,1,0,0,0,1|2,0,0]=4 3235 B9R1.6 OB(O)C1=NC=CC=C1 MCULE-1003392352 [0,1,0,0,0,1|2,0,0]=4 3236 B9R1.6 OB(O)C1=NC=CC=N1 MCULE-9685019181 [0,1,0,0,0,1|2,0,0]=4 3237 B9R1.6 OB(O)C1=NC=CN=C1 MCULE-2121712626 [0,1,0,0,0,1|2,0,0]=4 3238 B9R1.6 OB(O)C1=NN=CC=C1 MCULE-4952397489 [0,1,0,0,0,1|2,0,0]=4 3239 B9R1.6 OC(=S)C1=CC=CC=C1 MCULE-2456776015 [0,1,0,0,0,1|1,0,1]=4 3240 B9R1.6 P(=O)(O)C1=CC=CC=C1 MCULE-8341609278 [0,1,0,0,0,1|2,0,0]=4 3241 B9R1.6 [C@@H](C)(S)C1=CC=CC=C1 MCULE-6894255379 [0,1,0,0,0,1|1,1,0]=4 3242 B9R1.8 BrCCC1=CC=CC=C1 MCULE-6003855472 [0,1,0,0,0,1|2,0,0]=4 3243 B9R1.8 BrCCC1=CC=CN=C1 MCULE-7479690403 [0,1,0,0,0,1|2,0,0]=4 3244 B9R1.8 BrCCC1=CC=NC=C1 MCULE-4633213173 [0,1,0,0,0,1|2,0,0]=4 3245 B9R1.8 BrCCC1=CC=NC=C1 MCULE-5648038485 [0,1,0,0,0,1|2,0,0]=4 3246 B9R1.8 BrCCC1=CN=CC=C1 MCULE-3043304596 [0,1,0,0,0,1|2,0,0]=4 3247 B9R1.8 BrCCC1=NC=CC=C1 MCULE-1640275337 [0,1,0,0,0,1|2,0,0]=4 3248 B9R1.8 BrCCC1=NC=CC=C1 MCULE-1929301201 [0,1,0,0,0,1|2,0,0]=4 3249 B9R1.8 BrCCC1=NC=CN=C1 MCULE-7219125276 [0,1,0,0,0,1|2,0,0]=4 3250 B9R1.8 C#CCC1=CC=CC=C1 MCULE-3124275433 [0,1,0,0,0,1|2,0,0]=4 3251 B9R1.8 C=CCC1=CC=CC=C1 MCULE-7565107604 [0,1,0,0,0,1|2,0,0]=4 3252 B9R1.8 C=CCC1=NC=CC=C1 MCULE-6474058491 [0,1,0,0,0,1|2,0,0]=4 3253 B9R1.8 CCCC1=CC=CC=C1 MCULE-1436126757 [0,1,0,0,0,1|2,0,0]=4 3254 B9R1.8 CCCC1=CC=CCC1 MCULE-2133268475 [0,1,0,0,0,1|2,0,0]=4 3255 B9R1.8 CCCC1=CC=NC=C1 MCULE-7750163036 [0,1,0,0,0,1|2,0,0]=4 3256 B9R1.8 CCCC1=CN=CC=C1 MCULE-2831209066 [0,1,0,0,0,1|2,0,0]=4 3257 B9R1.8 CCCC1=NC=CC=C1 MCULE-3716571144 [0,1,0,0,0,1|2,0,0]=4 3258 B9R1.8 CCCC1=NC=CN=C1 MCULE-2073520377 [0,1,0,0,0,1|2,0,0]=4 3259 B9R1.8 CCNC1=CC=CC=C1 MCULE-4900118020 [0,1,0,0,0,1|2,0,0]=4 3260 B9R1.8 CCNC1=CC=CC=N1 MCULE-3397237645 [0,1,0,0,0,1|2,0,0]=4 3261 B9R1.8 CCNC1=CC=NC=C1 MCULE-1830124359 [0,1,0,0,0,1|2,0,0]=4 3262 B9R1.8 CCNC1=CN=CC=C1 MCULE-1344786137 [0,1,0,0,0,1|2,0,0]=4 3263 B9R1.8 CCNC1=NC=CC=N1 MCULE-3167508383 [0,1,0,0,0,1|2,0,0]=4 3264 B9R1.8 CCNC1=NC=CN=C1 MCULE-3760555877 [0,1,0,0,0,1|2,0,0]=4 3265 B9R1.8 CCNC1=NC=NC=C1 MCULE-6970093727 [0,1,0,0,0,1|2,0,0]=4 3266 B9R1.8 CCNC1=NN=CC=C1 MCULE-8156174849 [0,1,0,0,0,1|2,0,0]=4 3267 B9R1.8 CCOC1=CC=CC=C1 MCULE-1435278355 [0,1,0,0,0,1|2,0,0]=4 3268 B9R1.8 CCOC1=CC=CC=N1 MCULE-6126291412 [0,1,0,0,0,1|2,0,0]=4 3269 B9R1.8 CCOC1=CC=NC=C1 MCULE-8731787273 [0,1,0,0,0,1|2,0,0]=4 3270 B9R1.8 CCOC1=CN=CC=C1 MCULE-8290861148 [0,1,0,0,0,1|2,0,0]=4 3271 B9R1.8 CCOC1=CN=CC=N1 MCULE-3799205258 [0,1,0,0,0,1|2,0,0]=4 3272 B9R1.8 CCOC1=NN=CC=C1 MCULE-1397817073 [0,1,0,0,0,1|2,0,0]=4 3273 B9R1.8 CCSC1=CC=CC=C1 MCULE-9055983975 [0,1,0,0,0,1|2,0,0]=4 3274 B9R1.8 CCSC1=CC=CC=N1 MCULE-1839815436 [0,1,0,0,0,1|2,0,0]=4 3275 B9R1.8 CNCC1=CC=CC=C1 MCULE-6435964741 [0,1,0,0,0,1|2,0,0]=4 3276 B9R1.8 CNCC1=CC=CC=C1 MCULE-8276463605 [0,1,0,0,0,1|2,0,0]=4 3277 B9R1.8 CNCC1=CC=CN=C1 MCULE-4290536828 [0,1,0,0,0,1|2,0,0]=4 3278 B9R1.8 CNCC1=CC=NC=C1 MCULE-5722435466 [0,1,0,0,0,1|2,0,0]=4 3279 B9R1.8 CNCC1=CC=NC=C1 MCULE-5950369760 [0,1,0,0,0,1|2,0,0]=4 3280 B9R1.8 CNCC1=CC=NC=C1 MCULE-9200878259 [0,1,0,0,0,1|2,0,0]=4 3281 B9R1.8 CNCC1=CC=NC=N1 MCULE-8062051674 [0,1,0,0,0,1|2,0,0]=4 3282 B9R1.8 CNCC1=CN=CC=C1 MCULE-1588784043 [0,1,0,0,0,1|2,0,0]=4 3283 B9R1.8 CNCC1=CN=CC=C1 MCULE-3838880750 [0,1,0,0,0,1|2,0,0]=4 3284 B9R1.8 CNCC1=CN=CC=N1 MCULE-1291832572 [0,1,0,0,0,1|2,0,0]=4 3285 B9R1.8 CNCC1=NC=CC=C1 MCULE-4521546566 [0,1,0,0,0,1|2,0,0]=4 3286 B9R1.8 CNCC1=NC=CC=C1 MCULE-5545747227 [0,1,0,0,0,1|2,0,0]=4 3287 B9R1.8 CNCC1=NC=CC=C1 MCULE-5639986585 [0,1,0,0,0,1|2,0,0]=4 3288 B9R1.8 CNCC1=NC=CC=N1 MCULE-1003188080 [0,1,0,0,0,1|2,0,0]=4 3289 B9R1.8 CNCC1=NC=CC=N1 MCULE-6618978570 [0,1,0,0,0,1|2,0,0]=4 3290 B9R1.8 CNCC1=NC=CC=N1 MCULE-9479677323 [0,1,0,0,0,1|2,0,0]=4 3291 B9R1.8 CNCC1=NC=CN=C1 MCULE-2502081423 [0,1,0,0,0,1|2,0,0]=4 3292 B9R1.8 CNCC1=NC=NC=C1 MCULE-2031094410 [0,1,0,0,0,1|2,0,0]=4 3293 B9R1.8 CNCC1=NC=NC=C1 MCULE-6883439508 [0,1,0,0,0,1|2,0,0]=4 3294 B9R1.8 CNCC1=NN=CC=C1 MCULE-5023676622 [0,1,0,0,0,1|2,0,0]=4 3295 B9R1.8 CNCC1=NN=CC=C1 MCULE-8294040532 [0,1,0,0,0,1|2,0,0]=4 3296 B9R1.8 COCC1=CC=CC=C1 MCULE-4554043273 [0,1,0,0,0,1|1,0,0]=3 3297 B9R1.8 COCC1=CC=CC=N1 MCULE-8966491068 [0,1,0,0,0,1|1,0,0]=3 3298 B9R1.8 COCC1=CC=CN=C1 MCULE-1847599180 [0,1,0,0,0,1|1,0,0]=3 3299 B9R1.8 COCC1=CC=NC=C1 MCULE-8247440677 [0,1,0,0,0,1|1,0,0]=3 3300 B9R1.8 CSCC1=CC=CC=C1 MCULE-5017703613 [0,1,0,0,0,1|1,1,0]=4 3301 B9R1.8 CSCC1=CC=CC=N1 MCULE-2274252087 [0,1,0,0,0,1|1,1,0]=4 3302 B9R1.8 CSCC1=CN=CC=C1 MCULE-2958577541 [0,1,0,0,0,1|1,1,0]=4 3303 B9R1.8 ClCCC1=CC=CC=C1 MCULE-8511172459 [0,1,0,0,0,1|2,0,0]=4 3304 B9R1.8 ClCCC1=CC=CN=C1 MCULE-7972622152 [0,1,0,0,0,1|2,0,0]=4 3305 B9R1.8 ClCCC1=CC=NC=C1 MCULE-1301213530 [0,1,0,0,0,1|2,0,0]=4 3306 B9R1.8 ClCCC1=CC=NC=C1 MCULE-2917760659 [0,1,0,0,0,1|2,0,0]=4 3307 B9R1.8 ClCCC1=CN=CC=C1 MCULE-7810829416 [0,1,0,0,0,1|2,0,0]=4 3308 B9R1.8 ClCCC1=NC=CC=C1 MCULE-6258443538 [0,1,0,0,0,1|2,0,0]=4 3309 B9R1.8 ClCCC1=NC=CC=C1 MCULE-6869606088 [0,1,0,0,0,1|2,0,0]=4 3310 B9R1.8 ClCOC1=CC=CC=C1 MCULE-2471680413 [0,1,0,0,0,1|2,0,0]=4 3311 B9R1.8 ClCSC1=CC=CC=C1 MCULE-9800912441 [0,1,0,0,0,1|2,0,0]=4 3312 B9R1.8 ClCSC1=NC=CC=N1 MCULE-8920962698 [0,1,0,0,0,1|2,0,0]=4 3313 B9R1.8 FCCC1=CC=CC=C1 MCULE-2629998181 [0,1,0,0,0,1|2,0,0]=4 3314 B9R1.8 ICCC1=CC=CC=C1 MCULE-5316958432 [0,1,0,0,0,1|2,0,0]=4 3315 B9R1.8 ICCC1=CN=CC=C1 MCULE-2176060519 [0,1,0,0,0,1|2,0,0]=4 3316 B9R1.8 ICCC1=CN=CC=C1 MCULE-8794522367 [0,1,0,0,0,1|2,0,0]=4 3317 B9R1.8 N#CCC1=CC=CC=C1 MCULE-3500109780 [0,1,0,0,0,1|2,0,0]=4 3318 B9R1.8 N#CCC1=CC=CN=C1 MCULE-4281335903 [0,1,0,0,0,1|2,0,0]=4 3319 B9R1.8 N#CCC1=CC=CN=N1 MCULE-6816168695 [0,1,0,0,0,1|2,0,0]=4 3320 B9R1.8 N#CCC1=CC=NC=C1 MCULE-5161593251 [0,1,0,0,0,1|2,0,0]=4 3321 B9R1.8 N#CCC1=CC=NC=C1 MCULE-8870462046 [0,1,0,0,0,1|2,0,0]=4 3322 B9R1.8 N#CCC1=NC=CC=C1 MCULE-7088939664 [0,1,0,0,0,1|2,0,0]=4 3323 B9R1.8 N#CCC1=NC=CC=N1 MCULE-2604452188 [0,1,0,0,0,1|2,0,0]=4 3324 B9R1.8 N#CCC1=NC=CN=C1 MCULE-6140753769 [0,1,0,0,0,1|2,0,0]=4 3325 B9R1.8 N#CCC1=NC=NC=C1 MCULE-4890634418 [0,1,0,0,0,1|2,0,0]=4 3326 B9R1.8 NCCC1=CC=CC=C1 MCULE-5305816256 [0,1,0,0,0,1|2,0,0]=4 3327 B9R1.8 NCCC1=CC=CC=C1 MCULE-5640955787 [0,1,0,0,0,1|2,0,0]=4 3328 B9R1.8 NCCC1=CC=CC=C1 MCULE-7553223367 [0,1,0,0,0,1|2,0,0]=4 3329 B9R1.8 NCCC1=CC=CC=C1 MCULE-9850967903 [0,1,0,0,0,1|2,0,0]=4 3330 B9R1.8 NCCC1=CC=CC=N1 MCULE-4047034509 [0,1,0,0,0,1|2,0,0]=4 3331 B9R1.8 NCCC1=CC=CN=C1 MCULE-1624723468 [0,1,0,0,0,1|2,0,0]=4 3332 B9R1.8 NCCC1=CC=CN=C1 MCULE-2674016305 [0,1,0,0,0,1|2,0,0]=4 3333 B9R1.8 NCCC1=CC=CN=C1 MCULE-4045443745 [0,1,0,0,0,1|2,0,0]=4 3334 B9R1.8 NCCC1=CC=CN=C1 MCULE-4318976073 [0,1,0,0,0,1|2,0,0]=4 3335 B9R1.8 NCCC1=CC=NC=C1 MCULE-5158600210 [0,1,0,0,0,1|2,0,0]=4 3336 B9R1.8 NCCC1=CC=NC=C1 MCULE-7006873582 [0,1,0,0,0,1|2,0,0]=4 3337 B9R1.8 NCCC1=NC=CC=C1 MCULE-5259176751 [0,1,0,0,0,1|2,0,0]=4 3338 B9R1.8 NCCC1=NC=CC=N1 MCULE-1224635337 [0,1,0,0,0,1|2,0,0]=4 3339 B9R1.8 NCCC1=NC=CC=N1 MCULE-2849095976 [0,1,0,0,0,1|2,0,0]=4 3340 B9R1.8 NCCC1=NC=CC=N1 MCULE-3796150895 [0,1,0,0,0,1|2,0,0]=4 3341 B9R1.8 NCCC1=NC=CN=C1 MCULE-4217722140 [0,1,0,0,0,1|2,0,0]=4 3342 B9R1.8 NCCC1=NC=CN=C1 MCULE-7079488367 [0,1,0,0,0,1|2,0,0]=4 3343 B9R1.8 NCCC1=NC=CN=C1 MCULE-9125635374 [0,1,0,0,0,1|2,0,0]=4 3344 B9R1.8 NCCC1=NC=NC=C1 MCULE-5518459893 [0,1,0,0,0,1|2,0,0]=4 3345 B9R1.8 NCCC1=NC=NC=C1 MCULE-9084157780 [0,1,0,0,0,1|2,0,0]=4 3346 B9R1.8 NCOC1=CC=CC=C1 MCULE-5733161621 [0,1,0,0,0,1|2,0,0]=4 3347 B9R1.8 NCOC1=CC=CC=C1 MCULE-6214083767 [0,1,0,0,0,1|2,0,0]=4 3348 B9R1.8 NNCC1=CC=CC=C1 MCULE-4880137695 [0,1,0,0,0,1|2,0,0]=4 3349 B9R1.8 NNCC1=CC=CC=C1 MCULE-5277030465 [0,1,0,0,0,1|2,0,0]=4 3350 B9R1.8 NNCC1=CC=CC=C1 MCULE-6724003295 [0,1,0,0,0,1|2,0,0]=4 3351 B9R1.8 NNCC1=CC=CC=N1 MCULE-1655820873 [0,1,0,0,0,1|2,0,0]=4 3352 B9R1.8 NNCC1=CC=CN=C1 MCULE-4249291734 [0,1,0,0,0,1|2,0,0]=4 3353 B9R1.8 NNCC1=CC=CN=C1 MCULE-8749941190 [0,1,0,0,0,1|2,0,0]=4 3354 B9R1.8 NNCC1=CC=NC=C1 MCULE-1528189211 [0,1,0,0,0,1|2,0,0]=4 3355 B9R1.8 NNCC1=CC=NC=C1 MCULE-3345778186 [0,1,0,0,0,1|2,0,0]=4 3356 B9R1.8 NNCC1=CC=NC=C1 MCULE-6306701826 [0,1,0,0,0,1|2,0,0]=4 3357 B9R1.8 NNCC1=CC=NC=C1 MCULE-8221241246 [0,1,0,0,0,1|2,0,0]=4 3358 B9R1.8 NNCC1=CN=CC=C1 MCULE-6930531110 [0,1,0,0,0,1|2,0,0]=4 3359 B9R1.8 NNCC1=CN=CC=C1 MCULE-7349569913 [0,1,0,0,0,1|2,0,0]=4 3360 B9R1.8 NNCC1=CN=CC=N1 MCULE-1671486246 [0,1,0,0,0,1|2,0,0]=4 3361 B9R1.8 NNCC1=CN=CC=N1 MCULE-8115622869 [0,1,0,0,0,1|2,0,0]=4 3362 B9R1.8 NNCC1=NC=CC=C1 MCULE-6517834325 [0,1,0,0,0,1|2,0,0]=4 3363 B9R1.8 NNCC1=NC=CC=C1 MCULE-7503506489 [0,1,0,0,0,1|2,0,0]=4 3364 B9R1.8 NNCC1=NC=CC=C1 MCULE-8677635808 [0,1,0,0,0,1|2,0,0]=4 3365 B9R1.8 NNCC1=NC=CC=N1 MCULE-4184605752 [0,1,0,0,0,1|2,0,0]=4 3366 B9R1.8 NNCC1=NC=CN=C1 MCULE-1762788529 [0,1,0,0,0,1|2,0,0]=4 3367 B9R1.8 NNCC1=NN=CC=C1 MCULE-2913756636 [0,1,0,0,0,1|2,0,0]=4 3368 B9R1.8 NNCC1=NN=CC=C1 MCULE-9973655397 [0,1,0,0,0,1|2,0,0]=4 3369 B9R1.8 NOCC1=CC=CC=C1 MCULE-5591314048 [0,1,0,0,0,1|1,0,0]=3 3370 B9R1.8 NOCC1=CC=CC=C1 MCULE-8102041257 [0,1,0,0,0,1|1,0,0]=3 3371 B9R1.8 NOCC1=CC=CC=N1 MCULE-3521384635 [0,1,0,0,0,1|1,0,0]=3 3372 B9R1.8 NOCC1=CC=CN=C1 MCULE-5582309102 [0,1,0,0,0,1|1,0,0]=3 3373 B9R1.8 NOCC1=CC=NC=C1 MCULE-7062833974 [0,1,0,0,0,1|1,0,0]=3 3374 B9R1.8 NOCC1=CC=NC=C1 MCULE-9163704806 [0,1,0,0,0,1|1,0,0]=3 3375 B9R1.8 NOCC1=CN=CC=C1 MCULE-2621175096 [0,1,0,0,0,1|1,0,0]=3 3376 B9R1.8 NOCC1=NC=CC=C1 MCULE-3145283931 [0,1,0,0,0,1|1,0,0]=3 3377 B9R1.8 NOCC1=NC=CC=C1 MCULE-8515519152 [0,1,0,0,0,1|1,0,0]=3 3378 B9R1.8 NOCC1=NC=CC=N1 MCULE-1795973845 [0,1,0,0,0,1|1,0,0]=3 3379 B9R1.8 NOCC1=NC=CN=C1 MCULE-4299541298 [0,1,0,0,0,1|1,0,0]=3 3380 B9R1.8 O/N=C/C1=CC=CC=C1 MCULE-1011263688 [0,1,0,0,0,1|1,0,1]=4 3381 B9R1.8 O/N=C/C1=CC=CC=N1 MCULE-2240049283 [0,1,0,0,0,1|1,0,1]=4 3382 B9R1.8 O/N=C/C1=CC=CN=C1 MCULE-8170089191 [0,1,0,0,0,1|1,0,1]=4 3383 B9R1.8 O/N=C/C1=CC=NC=C1 MCULE-6491606605 [0,1,0,0,0,1|1,0,1]=4 3384 B9R1.8 O/N=C\C1=CC=CC=C1 MCULE-1584372851 [0,1,0,0,0,1|1,0,1]=4 3385 B9R1.8 O/N=C\C1=NC=CC=C1 MCULE-2501197034 [0,1,0,0,0,1|1,0,1]=4 3386 B9R1.8 O=CCC1=CC=CC=C1 MCULE-3725701027 [0,1,0,0,0,1|1,0,1]=4 3387 B9R1.8 O=CCC1=CC=CN=C1 MCULE-5476143364 [0,1,0,0,0,1|1,0,1]=4 3388 B9R1.8 O=CCC1=CC=NC=C1 MCULE-3072157713 [0,1,0,0,0,1|1,0,1]=4 3389 B9R1.8 O=CCC1=NC=CC=C1 MCULE-5173397372 [0,1,0,0,0,1|1,0,1]=4 3390 B9R1.8 O=CCC1=NC=CC=N1 MCULE-1703230572 [0,1,0,0,0,1|1,0,1]=4 3391 B9R1.8 O=CCC1=NC=CN=C1 MCULE-8362169769 [0,1,0,0,0,1|1,0,1]=4 3392 B9R1.8 OCCC1=CC=CC=C1 MCULE-8439044075 [0,1,0,0,0,1|1,0,0]=3 3393 B9R1.8 OCCC1=CC=NC=C1 MCULE-2603151584 [0,1,0,0,0,1|1,0,0]=3 3394 B9R1.8 OCCC1=CC=NC=C1 MCULE-4817102219 [0,1,0,0,0,1|1,0,0]=3 3395 B9R1.8 OCCC1=CC=NC=N1 MCULE-8085973176 [0,1,0,0,0,1|1,0,0]=3 3396 B9R1.8 OCCC1=CN=CC=C1 MCULE-8840189942 [0,1,0,0,0,1|1,0,0]=3 3397 B9R1.8 OCCC1=CN=CN=C1 MCULE-3304112564 [0,1,0,0,0,1|2,0,0]=4 3398 B9R1.8 OCCC1=NC=CC=C1 MCULE-6875199356 [0,1,0,0,0,1|1,0,0]=3 3399 B9R1.8 OCCC1=NC=CC=N1 MCULE-4270679521 [0,1,0,0,0,1|1,0,0]=3 3400 B9R1.8 OCCC1=NC=CN=C1 MCULE-5979873037 [0,1,0,0,0,1|1,0,0]=3 3401 B9R1.8 OCCC1=NN=CC=C1 MCULE-2070023751 [0,1,0,0,0,1|1,0,0]=3 3402 B9R1.8 ON=CC1=CC=CC=C1 MCULE-8149588528 [0,1,0,0,0,1|1,0,1]=4 3403 B9R1.8 ON=CC1=CC=CC=N1 MCULE-6408631948 [0,1,0,0,0,1|1,0,1]=4 3404 B9R1.8 ON=CC1=CC=CN=C1 MCULE-3664359297 [0,1,0,0,0,1|1,0,1]=4 3405 B9R1.8 ON=CC1=CC=NC=C1 MCULE-6157414734 [0,1,0,0,0,1|1,0,1]=4 3406 B9R1.8 ON=CC1=NC=NC=C1 MCULE-6308102242 [0,1,0,0,0,1|1,0,1]=4 3407 B9R1.8 ONCC1=CC=CC=C1 MCULE-5550198942 [0,1,0,0,0,1|1,0,0]=3 3408 B9R1.8 ONCC1=CC=CC=C1 MCULE-9817440897 [0,1,0,0,0,1|1,0,0]=3 3409 B9R1.8 SCCC1=CC=CC=C1 MCULE-2079245300 [0,1,0,0,0,1|1,1,0]=4 3410 B9R1.8 SCCC1=CC=NC=C1 MCULE-4422028882 [0,1,0,0,0,1|1,1,0]=4 3411 B9R1.8 SCCC1=CC=NC=C1 MCULE-8639114038 [0,1,0,0,0,1|1,1,0]=4 3412 B9R1.8 SCCC1=CN=CC=N1 MCULE-5329154641 [0,1,0,0,0,1|1,1,0]=4 3413 B9R1.8 SCCC1=NC=CC=C1 MCULE-1636219544 [0,1,0,0,0,1|1,1,0]=4 3414 B9R1.8 [NH3+]OCC1=CC=CC=C1 MCULE-1361147646 [0,1,0,0,0,1|1,0,0]=3 3415 B9R1.8 [NH3+]OCC1=CC=CC=C1 MCULE-2177960564 [0,1,0,0,0,1|1,0,0]=3 3416 B9R1.15 BrCC1=C(C=CC=C1)Br MCULE-8955893790 [0,1,0,0,0,1|2,0,0]=4 3417 B9R1.15 BrCC1=C(C=CC=C1)I MCULE-9375356622 [0,1,0,0,0,1|2,0,0]=4 3418 B9R1.15 BrCC1=C(C=NC=C1)Br MCULE-2127040093 [0,1,0,0,0,1|2,0,0]=4 3419 B9R1.15 BrCC1=C(C=NC=C1)Br MCULE-2321811337 [0,1,0,0,0,1|2,0,0]=4 3420 B9R1.15 BrCC1=CC=CN=C1Br MCULE-2803439996 [0,1,0,0,0,1|2,0,0]=4 3421 B9R1.15 BrCC1=CC=CN=C1Br MCULE-6685938351 [0,1,0,0,0,1|2,0,0]=4 3422 B9R1.15 BrCC1=NC=CC=C1Br MCULE-2054334955 [0,1,0,0,0,1|2,0,0]=4 3423 B9R1.15 BrCC1=NC=CC=C1Br MCULE-8028501752 [0,1,0,0,0,1|2,0,0]=4 3424 B9R1.15 CC1=C(C=CC=C1)CBr MCULE-1019818041 [0,1,0,0,0,1|2,0,0]=4 3425 B9R1.15 CC1=C(C=CC=C1)CCl MCULE-2014896403 [0,1,0,0,0,1|2,0,0]=4 3426 B9R1.15 CC1=C(C=CC=C1)CN MCULE-4148160003 [0,1,0,0,0,1|2,0,0]=4 3427 B9R1.15 CC1=C(C=CC=C1)CN MCULE-4752664231 [0,1,0,0,0,1|2,0,0]=4 3428 B9R1.15 CC1=C(C=CC=C1)CS MCULE-5289759336 [0,1,0,0,0,1|1,1,0]=4 3429 B9R1.15 CC1=C(C=CC=C1)NO MCULE-8098891928 [0,1,0,0,0,1|2,0,0]=4 3430 B9R1.15 CC1=C(C=CC=C1)[NH2+]O MCULE-6743331373 [0,1,0,0,0,1|2,0,0]=4 3431 B9R1.15 CC1=C(C=CC=N1)CO MCULE-6993107757 [0,1,0,0,0,1|1,0,0]=3 3432 B9R1.15 CC1=C(C=CN=C1)CBr MCULE-5820810101 [0,1,0,0,0,1|2,0,0]=4 3433 B9R1.15 CC1=C(C=CN=C1)CBr MCULE-8616509522 [0,1,0,0,0,1|2,0,0]=4 3434 B9R1.15 CC1=C(C=CN=C1)CCl MCULE-7487469513 [0,1,0,0,0,1|2,0,0]=4 3435 B9R1.15 CC1=C(C=CN=C1)CCl MCULE-7693923614 [0,1,0,0,0,1|2,0,0]=4 3436 B9R1.15 CC1=C(C=CN=C1)CN MCULE-5041720465 [0,1,0,0,0,1|2,0,0]=4 3437 B9R1.15 CC1=C(C=CN=C1)CN MCULE-9156044707 [0,1,0,0,0,1|2,0,0]=4 3438 B9R1.15 CC1=C(C=CN=C1)CO MCULE-2859234781 [0,1,0,0,0,1|1,0,0]=3 3439 B9R1.15 CC1=C(C=NC=C1)CBr MCULE-2066575350 [0,1,0,0,0,1|2,0,0]=4 3440 B9R1.15 CC1=C(C=NC=C1)CBr MCULE-5468752571 [0,1,0,0,0,1|2,0,0]=4 3441 B9R1.15 CC1=C(C=NC=C1)CCl MCULE-3123139705 [0,1,0,0,0,1|2,0,0]=4 3442 B9R1.15 CC1=C(C=NC=C1)CCl MCULE-9450028207 [0,1,0,0,0,1|2,0,0]=4 3443 B9R1.15 CC1=C(C=NC=C1)CN MCULE-3436847806 [0,1,0,0,0,1|2,0,0]=4 3444 B9R1.15 CC1=C(C=NC=C1)CN MCULE-7231463330 [0,1,0,0,0,1|2,0,0]=4 3445 B9R1.15 CC1=C(C=NC=C1)CN MCULE-8202264080 [0,1,0,0,0,1|2,0,0]=4 3446 B9R1.15 CC1=C(C=NC=C1)CO MCULE-5512772750 [0,1,0,0,0,1|1,0,0]=3 3447 B9R1.15 CC1=C(N=CC=C1)CBr MCULE-3306415389 [0,1,0,0,0,1|2,0,0]=4 3448 B9R1.15 CC1=C(N=CC=C1)CCl MCULE-6804313836 [0,1,0,0,0,1|2,0,0]=4 3449 B9R1.15 CC1=C(N=CC=C1)CN MCULE-8964414228 [0,1,0,0,0,1|2,0,0]=4 3450 B9R1.15 CC1=C(N=CC=N1)CBr MCULE-3973551067 [0,1,0,0,0,1|2,0,0]=4 3451 B9R1.15 CC1=C(N=CC=N1)CCl MCULE-5761680769 [0,1,0,0,0,1|2,0,0]=4 3452 B9R1.15 CC1=C(N=CC=N1)CO MCULE-1679746404 [0,1,0,0,0,1|1,0,0]=3 3453 B9R1.15 CC1=C(N=NC=C1)CCl MCULE-1951396205 [0,1,0,0,0,1|2,0,0]=4 3454 B9R1.15 CC1=C(N=NC=C1)CCl MCULE-9445712077 [0,1,0,0,0,1|2,0,0]=4 3455 B9R1.15 CC1=CC=CC=C1CO MCULE-9300900311 [0,1,0,0,0,1|1,0,0]=3 3456 B9R1.15 CC1=CC=CN=C1CBr MCULE-6792003317 [0,1,0,0,0,1|2,0,0]=4 3457 B9R1.15 CC1=CC=CN=C1CBr MCULE-9970233664 [0,1,0,0,0,1|2,0,0]=4 3458 B9R1.15 CC1=CC=CN=C1CCl MCULE-3501111578 [0,1,0,0,0,1|2,0,0]=4 3459 B9R1.15 CC1=CC=CN=C1CN MCULE-6357054279 [0,1,0,0,0,1|2,0,0]=4 3460 B9R1.15 CC1=CC=CN=C1CN MCULE-9525631810 [0,1,0,0,0,1|2,0,0]=4 3461 B9R1.15 CC1=CC=CN=C1CO MCULE-2372569265 [0,1,0,0,0,1|1,0,0]=3 3462 B9R1.15 CC1=CC=CN=C1CO MCULE-5212191980 [0,1,0,0,0,1|1,0,0]=3 3463 B9R1.15 CC1=CC=NN=C1CN MCULE-3765766965 [0,1,0,0,0,1|2,0,0]=4 3464 B9R1.15 CC1=CC=NN=C1CN MCULE-9794037967 [0,1,0,0,0,1|2,0,0]=4 3465 B9R1.15 CC1=NC=CC=C1CBr MCULE-1823820949 [0,1,0,0,0,1|2,0,0]=4 3466 B9R1.15 CC1=NC=CC=C1CBr MCULE-5986744708 [0,1,0,0,0,1|2,0,0]=4 3467 B9R1.15 CC1=NC=CC=C1CCl MCULE-2999926585 [0,1,0,0,0,1|2,0,0]=4 3468 B9R1.15 CC1=NC=CC=C1CCl MCULE-7047721052 [0,1,0,0,0,1|2,0,0]=4 3469 B9R1.15 CC1=NC=CC=C1CN MCULE-2799705272 [0,1,0,0,0,1|2,0,0]=4 3470 B9R1.15 CC1=NC=CC=C1CN MCULE-7012899658 [0,1,0,0,0,1|2,0,0]=4 3471 B9R1.15 CC1=NC=CC=C1CN MCULE-7109781109 [0,1,0,0,0,1|2,0,0]=4 3472 B9R1.15 CC1=NC=CN=C1CBr MCULE-8353171360 [0,1,0,0,0,1|2,0,0]=4 3473 B9R1.15 CC1=NC=CN=C1CCl MCULE-9399426415 [0,1,0,0,0,1|2,0,0]=4 3474 B9R1.15 CC1=NC=CN=C1CN MCULE-4293166901 [0,1,0,0,0,1|2,0,0]=4 3475 B9R1.15 CC1=NC=CN=C1CN MCULE-4868809596 [0,1,0,0,0,1|2,0,0]=4 3476 B9R1.15 CC1=NC=CN=C1CN MCULE-9184316189 [0,1,0,0,0,1|2,0,0]=4 3477 B9R1.15 CC1=NC=NC=C1CO MCULE-7526453757 [0,1,0,0,0,1|2,0,0]=4 3478 B9R1.15 CC1=NN=CC=C1CO MCULE-5506135785 [0,1,0,0,0,1|2,0,0]=4 3479 B9R1.15 CCC1=C(C=CC=C1)Br MCULE-4771140566 [0,1,0,0,0,1|2,0,0]=4 3480 B9R1.15 CCC1=C(C=CC=C1)F MCULE-1752244285 [0,1,0,0,0,1|2,0,0]=4 3481 B9R1.15 CCC1=C(C=CC=C1)I MCULE-5972538763 [0,1,0,0,0,1|2,0,0]=4 3482 B9R1.15 CCC1=C(C=CC=C1)N MCULE-2488060018 [0,1,0,0,0,1|2,0,0]=4 3483 B9R1.15 CCC1=C(C=CC=C1)O MCULE-1491819809 [0,1,0,0,0,1|2,0,0]=4 3484 B9R1.15 CCC1=C(C=CC=C1)S MCULE-7704184327 [0,1,0,0,0,1|2,0,0]=4 3485 B9R1.15 CCC1=C(C=CC=N1)F MCULE-6095604013 [0,1,0,0,0,1|2,0,0]=4 3486 B9R1.15 CCC1=C(C=CC=N1)O MCULE-2219354339 [0,1,0,0,0,1|2,0,0]=4 3487 B9R1.15 CCC1=C(C=CC=N1)O MCULE-8924919703 [0,1,0,0,0,1|2,0,0]=4 3488 B9R1.15 CCC1=C(C=CN=C1)Br MCULE-1012084981 [0,1,0,0,0,1|2,0,0]=4 3489 B9R1.15 CCC1=C(C=CN=C1)Br MCULE-1148298331 [0,1,0,0,0,1|2,0,0]=4 3490 B9R1.15 CCC1=C(C=CN=C1)Br MCULE-4253904308 [0,1,0,0,0,1|2,0,0]=4 3491 B9R1.15 CCC1=C(C=CN=C1)C MCULE-2210494576 [0,1,0,0,0,1|2,0,0]=4 3492 B9R1.15 CCC1=C(C=CN=C1)O MCULE-5299269593 [0,1,0,0,0,1|2,0,0]=4 3493 B9R1.15 CCC1=C(C=NC=C1)Br MCULE-2654597890 [0,1,0,0,0,1|2,0,0]=4 3494 B9R1.15 CCC1=C(C=NC=C1)C MCULE-1828800295 [0,1,0,0,0,1|2,0,0]=4 3495 B9R1.15 CCC1=C(C=NC=C1)F MCULE-3500553160 [0,1,0,0,0,1|2,0,0]=4 3496 B9R1.15 CCC1=C(C=NC=C1)N MCULE-2535659878 [0,1,0,0,0,1|2,0,0]=4 3497 B9R1.15 CCC1=C(C=NC=C1)O MCULE-5778949169 [0,1,0,0,0,1|2,0,0]=4 3498 B9R1.15 CCC1=C(C=NC=N1)Br MCULE-6813482556 [0,1,0,0,0,1|2,0,0]=4 3499 B9R1.15 CCC1=C(N=CC=C1)N MCULE-3065792210 [0,1,0,0,0,1|2,0,0]=4 3500 B9R1.15 CCC1=C(N=CC=C1)O MCULE-6218225285 [0,1,0,0,0,1|2,0,0]=4 3501 B9R1.15 CCC1=CC=CC=C1C MCULE-7161910991 [0,1,0,0,0,1|2,0,0]=4 3502 B9R1.15 CCC1=CC=CC=C1Cl MCULE-7037352216 [0,1,0,0,0,1|2,0,0]=4 3503 B9R1.15 CCC1=CC=CC=[N+]1[O-] MCULE-8472299295 [0,1,0,0,0,1|2,0,0]=4 3504 B9R1.15 CCC1=CC=CN=C1Br MCULE-2422382471 [0,1,0,0,0,1|2,0,0]=4 3505 B9R1.15 CCC1=CC=CN=C1C MCULE-1642513220 [0,1,0,0,0,1|2,0,0]=4 3506 B9R1.15 CCC1=CC=CN=C1Cl MCULE-2440516714 [0,1,0,0,0,1|2,0,0]=4 3507 B9R1.15 CCC1=CC=CN=C1N MCULE-6881075468 [0,1,0,0,0,1|2,0,0]=4 3508 B9R1.15 CCC1=CNC=CC1=N MCULE-4369312143 [0,1,0,0,0,1|2,0,0]=4 3509 B9R1.15 CCC1=CNC=CC1=N MCULE-6638043090 [0,1,0,0,0,1|2,0,0]=4 3510 B9R1.15 CCC1=NC=CC=C1Br MCULE-3325156249 [0,1,0,0,0,1|2,0,0]=4 3511 B9R1.15 CCC1=NC=CC=C1N MCULE-1962176909 [0,1,0,0,0,1|2,0,0]=4 3512 B9R1.15 CCC1=NC=CN=C1C MCULE-1297345698 [0,1,0,0,0,1|2,0,0]=4 3513 B9R1.15 CCC1=NC=CN=C1Cl MCULE-4835881614 [0,1,0,0,0,1|2,0,0]=4 3514 B9R1.15 CCC1=NC=CN=C1N MCULE-2188073000 [0,1,0,0,0,1|2,0,0]=4 3515 B9R1.15 CCC1=NC=CNC1=O MCULE-1515870807 [0,1,0,0,0,1|2,0,0]=4 3516 B9R1.15 CCC1=NC=NC=C1F MCULE-6558845023 [0,1,0,0,0,1|2,0,0]=4 3517 B9R1.15 CCC1=NC=NC=C1N MCULE-1461450702 [0,1,0,0,0,1|2,0,0]=4 3518 B9R1.15 C[N+]1=CC=CC=C1CO MCULE-7091290655 [0,1,0,0,0,1|1,0,0]=3 3519 B9R1.15 C[N+]1=CC=CC=C1CO MCULE-8321763532 [0,1,0,0,0,1|1,0,0]=3 3520 B9R1.15 ClC1=C(C=CC=C1)CBr MCULE-9653977787 [0,1,0,0,0,1|2,0,0]=4 3521 B9R1.15 ClC1=C(C=CC=C1)CI MCULE-1602049459 [0,1,0,0,0,1|2,0,0]=4 3522 B9R1.15 ClC1=C(C=CC=N1)CBr MCULE-2377990792 [0,1,0,0,0,1|2,0,0]=4 3523 B9R1.15 ClC1=C(C=CN=C1)CBr MCULE-6462920882 [0,1,0,0,0,1|2,0,0]=4 3524 B9R1.15 ClC1=C(C=CN=C1)CBr MCULE-7253538797 [0,1,0,0,0,1|2,0,0]=4 3525 B9R1.15 ClC1=CC=CN=C1CBr MCULE-1679931586 [0,1,0,0,0,1|2,0,0]=4 3526 B9R1.15 ClC1=CC=CN=C1CBr MCULE-1991933586 [0,1,0,0,0,1|2,0,0]=4 3527 B9R1.15 ClC1=NC=CC=C1CBr MCULE-9078594909 [0,1,0,0,0,1|2,0,0]=4 3528 B9R1.15 ClC1=NC=CN=C1CBr MCULE-4276877553 [0,1,0,0,0,1|2,0,0]=4 3529 B9R1.15 ClC1=NC=CN=C1CBr MCULE-5247090358 [0,1,0,0,0,1|2,0,0]=4 3530 B9R1.15 ClCC1=C(C=CC=C1)Br MCULE-3681460051 [0,1,0,0,0,1|2,0,0]=4 3531 B9R1.15 ClCC1=C(C=CC=C1)Cl MCULE-6175831286 [0,1,0,0,0,1|2,0,0]=4 3532 B9R1.15 ClCC1=C(C=CC=C1)I MCULE-4621664249 [0,1,0,0,0,1|2,0,0]=4 3533 B9R1.15 ClCC1=C(C=CC=N1)Br MCULE-9131410722 [0,1,0,0,0,1|2,0,0]=4 3534 B9R1.15 ClCC1=C(C=NC=C1)Br MCULE-5296091017 [0,1,0,0,0,1|2,0,0]=4 3535 B9R1.15 ClCC1=C(C=NC=C1)Br MCULE-7567676897 [0,1,0,0,0,1|2,0,0]=4 3536 B9R1.15 ClCC1=C(C=NC=C1)Cl MCULE-5314945647 [0,1,0,0,0,1|2,0,0]=4 3537 B9R1.15 ClCC1=C(C=NC=C1)Cl MCULE-5596889539 [0,1,0,0,0,1|2,0,0]=4 3538 B9R1.15 ClCC1=CC=CN=C1Br MCULE-6040112590 [0,1,0,0,0,1|2,0,0]=4 3539 B9R1.15 ClCC1=CC=CN=C1Cl MCULE-2932816192 [0,1,0,0,0,1|2,0,0]=4 3540 B9R1.15 ClCC1=CC=CN=C1Cl MCULE-8278374622 [0,1,0,0,0,1|2,0,0]=4 3541 B9R1.15 ClCC1=NC=CC=C1Br MCULE-8822397950 [0,1,0,0,0,1|2,0,0]=4 3542 B9R1.15 ClCC1=NC=CC=C1Cl MCULE-3021912579 [0,1,0,0,0,1|2,0,0]=4 3543 B9R1.15 ClCC1=NC=CC=C1Cl MCULE-6841309802 [0,1,0,0,0,1|2,0,0]=4 3544 B9R1.15 ClCC1=NC=CN=C1Cl MCULE-9081605118 [0,1,0,0,0,1|2,0,0]=4 3545 B9R1.15 ClCC1=NC=CN=C1Cl MCULE-9226998492 [0,1,0,0,0,1|2,0,0]=4 3546 B9R1.15 FC1=C(C=CC=C1)CBr MCULE-9077947151 [0,1,0,0,0,1|2,0,0]=4 3547 B9R1.15 FC1=C(C=CC=C1)CCl MCULE-2558041222 [0,1,0,0,0,1|2,0,0]=4 3548 B9R1.15 FC1=C(C=CN=C1)CBr MCULE-9399497100 [0,1,0,0,0,1|2,0,0]=4 3549 B9R1.15 FC1=C(C=CN=C1)CCl MCULE-3708693183 [0,1,0,0,0,1|2,0,0]=4 3550 B9R1.15 FC1=C(C=CN=C1)CCl MCULE-5438487681 [0,1,0,0,0,1|2,0,0]=4 3551 B9R1.15 FC1=CC=CC=C1CS MCULE-7588517257 [0,1,0,0,0,1|1,1,0]=4 3552 B9R1.15 FC1=CC=CN=C1CBr MCULE-2506158518 [0,1,0,0,0,1|2,0,0]=4 3553 B9R1.15 FC1=CC=CN=C1CBr MCULE-4031851081 [0,1,0,0,0,1|2,0,0]=4 3554 B9R1.15 FC1=CC=CN=C1CBr MCULE-6134422068 [0,1,0,0,0,1|2,0,0]=4 3555 B9R1.15 FC1=CC=CN=C1CCl MCULE-5290308206 [0,1,0,0,0,1|2,0,0]=4 3556 B9R1.15 FC1=CC=CN=C1CCl MCULE-5813966979 [0,1,0,0,0,1|2,0,0]=4 3557 B9R1.15 FC1=NC=CC=C1CBr MCULE-1345073703 [0,1,0,0,0,1|2,0,0]=4 3558 B9R1.15 FC1=NC=CC=C1CCl MCULE-5930266726 [0,1,0,0,0,1|2,0,0]=4 3559 B9R1.15 FCC1=C(C=CC=C1)Br MCULE-6101124493 [0,1,0,0,0,1|2,0,0]=4 3560 B9R1.15 FCC1=CC=CN=C1Cl MCULE-2062466055 [0,1,0,0,0,1|2,0,0]=4 3561 B9R1.15 NC1=C(C=CC=C1)CF MCULE-8155712117 [0,1,0,0,0,1|2,0,0]=4 3562 B9R1.15 NC1=C(C=CC=N1)CBr MCULE-2797452090 [0,1,0,0,0,1|2,0,0]=4 3563 B9R1.15 NC1=C(C=CC=N1)CBr MCULE-4269840681 [0,1,0,0,0,1|2,0,0]=4 3564 B9R1.15 NC1=C(C=CC=N1)CO MCULE-5754893399 [0,1,0,0,0,1|1,0,0]=3 3565 B9R1.15 NC1=C(C=NC=C1)CO MCULE-6958548980 [0,1,0,0,0,1|1,0,0]=3 3566 B9R1.15 NC1=C(C=NC=N1)CO MCULE-8262367996 [0,1,0,0,0,1|2,0,0]=4 3567 B9R1.15 NC1=C(N=CC=N1)CO MCULE-1794338247 [0,1,0,0,0,1|1,0,0]=3 3568 B9R1.15 NC1=CC=CC=C1CBr MCULE-9451580291 [0,1,0,0,0,1|2,0,0]=4 3569 B9R1.15 NC1=CC=CC=C1CO MCULE-3846662405 [0,1,0,0,0,1|1,0,0]=3 3570 B9R1.15 NC1=CC=CN=C1CCl MCULE-2496859112 [0,1,0,0,0,1|2,0,0]=4 3571 B9R1.15 NC1=CC=CN=C1CO MCULE-6615654839 [0,1,0,0,0,1|1,0,0]=3 3572 B9R1.15 NC1=CN=CC=C1CO MCULE-7295117790 [0,1,0,0,0,1|1,0,0]=3 3573 B9R1.15 NC1=CN=CN=C1CO MCULE-2710736285 [0,1,0,0,0,1|1,0,0]=3 3574 B9R1.15 NC1=NC=CC=C1CCl MCULE-1910209797 [0,1,0,0,0,1|2,0,0]=4 3575 B9R1.15 NC1=NC=CC=C1CCl MCULE-9221653996 [0,1,0,0,0,1|2,0,0]=4 3576 B9R1.15 NCC1=C(C=CC=C1)Br MCULE-5203749690 [0,1,0,0,0,1|2,0,0]=4 3577 B9R1.15 NCC1=C(C=CC=C1)Br MCULE-6714856930 [0,1,0,0,0,1|2,0,0]=4 3578 B9R1.15 NCC1=C(C=CC=C1)Cl MCULE-4037322449 [0,1,0,0,0,1|2,0,0]=4 3579 B9R1.15 NCC1=C(C=CC=C1)F MCULE-2574180688 [0,1,0,0,0,1|2,0,0]=4 3580 B9R1.15 NCC1=C(C=CC=C1)F MCULE-5632888003 [0,1,0,0,0,1|2,0,0]=4 3581 B9R1.15 NCC1=C(C=CC=C1)O MCULE-1465654134 [0,1,0,0,0,1|2,0,0]=4 3582 B9R1.15 NCC1=C(C=CC=C1)O MCULE-1875598424 [0,1,0,0,0,1|2,0,0]=4 3583 B9R1.15 NCC1=C(C=CC=N1)Br MCULE-3050398863 [0,1,0,0,0,1|2,0,0]=4 3584 B9R1.15 NCC1=C(C=CC=N1)Cl MCULE-2529475561 [0,1,0,0,0,1|2,0,0]=4 3585 B9R1.15 NCC1=C(C=CC=N1)Cl MCULE-3041740839 [0,1,0,0,0,1|2,0,0]=4 3586 B9R1.15 NCC1=C(C=CC=N1)F MCULE-3997545148 [0,1,0,0,0,1|2,0,0]=4 3587 B9R1.15 NCC1=C(C=CC=N1)F MCULE-6643801407 [0,1,0,0,0,1|2,0,0]=4 3588 B9R1.15 NCC1=C(C=CC=N1)N MCULE-7410536233 [0,1,0,0,0,1|2,0,0]=4 3589 B9R1.15 NCC1=C(C=CC=N1)O MCULE-3110814493 [0,1,0,0,0,1|2,0,0]=4 3590 B9R1.15 NCC1=C(C=CN=C1)Br MCULE-4628254083 [0,1,0,0,0,1|2,0,0]=4 3591 B9R1.15 NCC1=C(C=CN=C1)Br MCULE-8530410078 [0,1,0,0,0,1|2,0,0]=4 3592 B9R1.15 NCC1=C(C=CN=C1)Cl MCULE-1132766997 [0,1,0,0,0,1|2,0,0]=4 3593 B9R1.15 NCC1=C(C=CN=C1)Cl MCULE-8152033013 [0,1,0,0,0,1|2,0,0]=4 3594 B9R1.15 NCC1=C(C=CN=C1)Cl MCULE-9223748870 [0,1,0,0,0,1|2,0,0]=4 3595 B9R1.15 NCC1=C(C=CN=C1)N MCULE-3954204147 [0,1,0,0,0,1|2,0,0]=4 3596 B9R1.15 NCC1=C(C=NC=C1)Br MCULE-3104270608 [0,1,0,0,0,1|2,0,0]=4 3597 B9R1.15 NCC1=C(C=NC=C1)Br MCULE-4879151317 [0,1,0,0,0,1|2,0,0]=4 3598 B9R1.15 NCC1=C(C=NC=C1)Br MCULE-8186545729 [0,1,0,0,0,1|2,0,0]=4 3599 B9R1.15 NCC1=C(C=NC=C1)Cl MCULE-2304362192 [0,1,0,0,0,1|2,0,0]=4 3600 B9R1.15 NCC1=C(C=NC=C1)Cl MCULE-3467530130 [0,1,0,0,0,1|2,0,0]=4 3601 B9R1.15 NCC1=C(C=NC=C1)F MCULE-4720793799 [0,1,0,0,0,1|2,0,0]=4 3602 B9R1.15 NCC1=C(C=NC=C1)F MCULE-7775865846 [0,1,0,0,0,1|2,0,0]=4 3603 B9R1.15 NCC1=C(C=NC=C1)N MCULE-6588451461 [0,1,0,0,0,1|2,0,0]=4 3604 B9R1.15 NCC1=C(C=NC=C1)N MCULE-9924092904 [0,1,0,0,0,1|2,0,0]=4 3605 B9R1.15 NCC1=C(C=NC=C1)O MCULE-1920536014 [0,1,0,0,0,1|2,0,0]=4 3606 B9R1.15 NCC1=C(N=CC=C1)O MCULE-1721762153 [0,1,0,0,0,1|2,0,0]=4 3607 B9R1.15 NCC1=C(N=CC=C1)O MCULE-8208758751 [0,1,0,0,0,1|2,0,0]=4 3608 B9R1.15 NCC1=CC=CC=C1Cl MCULE-3398053743 [0,1,0,0,0,1|2,0,0]=4 3609 B9R1.15 NCC1=CC=CC=C1I MCULE-7762317624 [0,1,0,0,0,1|2,0,0]=4 3610 B9R1.15 NCC1=CC=CC=C1I MCULE-8505146865 [0,1,0,0,0,1|2,0,0]=4 3611 B9R1.15 NCC1=CC=CC=C1N MCULE-1176596426 [0,1,0,0,0,1|2,0,0]=4 3612 B9R1.15 NCC1=CC=CC=C1N MCULE-6629224304 [0,1,0,0,0,1|2,0,0]=4 3613 B9R1.15 NCC1=CC=CC=C1O MCULE-6219632884 [0,1,0,0,0,1|2,0,0]=4 3614 B9R1.15 NCC1=CC=CN=C1Br MCULE-2146604868 [0,1,0,0,0,1|2,0,0]=4 3615 B9R1.15 NCC1=CC=CN=C1Cl MCULE-3511406098 [0,1,0,0,0,1|2,0,0]=4 3616 B9R1.15 NCC1=CC=CN=C1Cl MCULE-4321638387 [0,1,0,0,0,1|2,0,0]=4 3617 B9R1.15 NCC1=CC=CN=C1Cl MCULE-7719879136 [0,1,0,0,0,1|2,0,0]=4 3618 B9R1.15 NCC1=CC=CN=C1F MCULE-5012171169 [0,1,0,0,0,1|2,0,0]=4 3619 B9R1.15 NCC1=CC=CN=C1F MCULE-6982218129 [0,1,0,0,0,1|2,0,0]=4 3620 B9R1.15 NCC1=CC=CN=C1F MCULE-9627942264 [0,1,0,0,0,1|2,0,0]=4 3621 B9R1.15 NCC1=CC=CN=C1N MCULE-2344166189 [0,1,0,0,0,1|2,0,0]=4 3622 B9R1.15 NCC1=CC=CN=C1N MCULE-2791325111 [0,1,0,0,0,1|2,0,0]=4 3623 B9R1.15 NCC1=CC=CN=C1O MCULE-1993409732 [0,1,0,0,0,1|2,0,0]=4 3624 B9R1.15 NCC1=CC=CNC1=O MCULE-6248076104 [0,1,0,0,0,1|2,0,0]=4 3625 B9R1.15 NCC1=NC=CC=C1Br MCULE-4039091745 [0,1,0,0,0,1|2,0,0]=4 3626 B9R1.15 NCC1=NC=CC=C1Br MCULE-9727537535 [0,1,0,0,0,1|2,0,0]=4 3627 B9R1.15 NCC1=NC=CC=C1F MCULE-6117785947 [0,1,0,0,0,1|2,0,0]=4 3628 B9R1.15 NCC1=NC=CN=C1Cl MCULE-2414408202 [0,1,0,0,0,1|2,0,0]=4 3629 B9R1.15 NCC1=NC=CN=C1Cl MCULE-4501759163 [0,1,0,0,0,1|2,0,0]=4 3630 B9R1.15 NCC1=NC=CN=C1Cl MCULE-8002034205 [0,1,0,0,0,1|2,0,0]=4 3631 B9R1.15 NCC1=NC=CN=C1N MCULE-4491265499 [0,1,0,0,0,1|2,0,0]=4 3632 B9R1.15 NCC1=[N+](C=CC=C1)[O-] MCULE-3398566036 [0,1,0,0,0,1|2,0,0]=4 3633 B9R1.15 O=C1NC=CC=C1CO MCULE-9196302433 [0,1,0,0,0,1|1,0,0]=3 3634 B9R1.15 OC1=C(N=CC=C1)CBr MCULE-7465012583 [0,1,0,0,0,1|2,0,0]=4 3635 B9R1.15 OC1=C(N=CC=C1)CBr MCULE-8251195466 [0,1,0,0,0,1|2,0,0]=4 3636 B9R1.15 OC1=C(N=CC=C1)CCl MCULE-2295552482 [0,1,0,0,0,1|2,0,0]=4 3637 B9R1.15 OC1=C(N=CC=C1)CCl MCULE-8820401190 [0,1,0,0,0,1|2,0,0]=4 3638 B9R1.15 OCC1=C(C=CC=C1)Cl MCULE-4761354106 [0,1,0,0,0,1|1,0,0]=3 3639 B9R1.15 OCC1=C(C=CC=C1)F MCULE-3052442849 [0,1,0,0,0,1|1,0,0]=3 3640 B9R1.15 OCC1=C(C=CC=C1)I MCULE-2531846971 [0,1,0,0,0,1|1,0,0]=3 3641 B9R1.15 OCC1=C(C=CC=C1)O MCULE-6070464733 [0,1,0,0,0,1|1,0,0]=3 3642 B9R1.15 OCC1=C(C=CC=N1)Br MCULE-5669699006 [0,1,0,0,0,1|1,0,0]=3 3643 B9R1.15 OCC1=C(C=CN=C1)Br MCULE-9048514405 [0,1,0,0,0,1|1,0,0]=3 3644 B9R1.15 OCC1=C(C=CN=C1)Br MCULE-9609065264 [0,1,0,0,0,1|1,0,0]=3 3645 B9R1.15 OCC1=C(C=CN=C1)Br MCULE-9938086327 [0,1,0,0,0,1|1,0,0]=3 3646 B9R1.15 OCC1=C(C=CN=C1)Cl MCULE-2145056166 [0,1,0,0,0,1|1,0,0]=3 3647 B9R1.15 OCC1=C(C=CN=C1)Cl MCULE-3412890223 [0,1,0,0,0,1|1,0,0]=3 3648 B9R1.15 OCC1=C(C=NC=C1)Br MCULE-3735879696 [0,1,0,0,0,1|1,0,0]=3 3649 B9R1.15 OCC1=C(C=NC=C1)Cl MCULE-2467504088 [0,1,0,0,0,1|1,0,0]=3 3650 B9R1.15 OCC1=C(C=NC=C1)F MCULE-2007061586 [0,1,0,0,0,1|1,0,0]=3 3651 B9R1.15 OCC1=C(C=NC=C1)O MCULE-5930038750 [0,1,0,0,0,1|1,0,0]=3 3652 B9R1.15 OCC1=C(N=CC=C1)Cl MCULE-4687022345 [0,1,0,0,0,1|1,0,0]=3 3653 B9R1.15 OCC1=C(N=CC=N1)Cl MCULE-6084442186 [0,1,0,0,0,1|1,0,0]=3 3654 B9R1.15 OCC1=CC=CC=C1Br MCULE-2277207125 [0,1,0,0,0,1|1,0,0]=3 3655 B9R1.15 OCC1=CC=CC=C1Br MCULE-2784222900 [0,1,0,0,0,1|1,0,0]=3 3656 B9R1.15 OCC1=CC=CC=C1S MCULE-8947049784 [0,1,0,0,0,1|1,0,0]=3 3657 B9R1.15 OCC1=CC=CN=C1Br MCULE-9387583588 [0,1,0,0,0,1|1,0,0]=3 3658 B9R1.15 OCC1=CC=CN=C1F MCULE-6116637531 [0,1,0,0,0,1|1,0,0]=3 3659 B9R1.15 OCC1=CN=CC=C1F MCULE-2362902914 [0,1,0,0,0,1|1,0,0]=3 3660 B9R1.15 OCC1=CN=CC=C1F MCULE-5865449163 [0,1,0,0,0,1|1,0,0]=3 3661 B9R1.15 OCC1=CN=CN=C1Cl MCULE-2877040912 [0,1,0,0,0,1|2,0,0]=4 3662 B9R1.15 OCC1=NC=CC=C1Cl MCULE-9022458499 [0,1,0,0,0,1|1,0,0]=3 3663 B9R1.15 OCC1=NC=CC=C1F MCULE-8712405676 [0,1,0,0,0,1|1,0,0]=3 3664 B9R1.15 OCC1=NC=CC=C1I MCULE-4759825528 [0,1,0,0,0,1|1,0,0]=3 3665 B9R1.15 OCC1=NC=CC=C1O MCULE-5194043473 [0,1,0,0,0,1|1,0,0]=3 3666 B9R1.15 OCC1=NC=CC=C1O MCULE-7424772680 [0,1,0,0,0,1|1,0,0]=3 3667 B9R1.15 OCC1=NC=NC=C1Br MCULE-3156719810 [0,1,0,0,0,1|1,0,0]=3 3668 B9R1.15 OCC1=NN=CC=C1O MCULE-8004878122 [0,1,0,0,0,1|1,0,0]=3 3669 B9R1.15 OC[C@H]1OCC=C[C@@H]1O MCULE-3248185970 [0,1,0,0,0,1|0,0,2]=4 3670 B9R1.15 SCC1=C(C=CC=C1)Br MCULE-2005199134 [0,1,0,0,0,1|1,1,0]=4 3671 B9R1.15 SCC1=C(C=CC=C1)Cl MCULE-9764387489 [0,1,0,0,0,1|1,1,0]=4 3672 B9R1.15 [O-][N+]1=CC=CC=C1CCl MCULE-2118494220 [0,1,0,0,0,1|2,0,0]=4 3673 B9R1.15 [O-][N+]1=CC=CN=C1CCl MCULE-3424748242 [0,1,0,0,0,1|2,0,0]=4 3674 B9R1.7 C=CCC1=CC=C(S1)Br MCULE-9881174580 [0,2,0,0,0,0|1,1,0]=4 3675 B9R1.7 C=CCC1=CC=C(S1)C MCULE-7871691212 [0,2,0,0,0,0|1,1,0]=4 3676 B9R1.7 C=CCC1=CC=C(S1)Cl MCULE-8449564649 [0,2,0,0,0,0|1,1,0]=4 3677 B9R1.7 CC1=CC(=NO1)CON MCULE-3436780279 [0,2,0,0,0,0|2,0,0]=4 3678 B9R1.7 CC1=CC(=NO1)CON MCULE-5107057583 [0,2,0,0,0,0|2,0,0]=4 3679 B9R1.7 CC1=CC=C(O1)/C=N/O MCULE-3002769978 [0,2,0,0,0,0|0,0,1]=3 3680 B9R1.7 CC1=CC=C(O1)C=NO MCULE-6889127120 [0,2,0,0,0,0|0,0,1]=3 3681 B9R1.7 CC1=CC=C(O1)CCN MCULE-2830485223 [0,2,0,0,0,0|1,0,0]=3 3682 B9R1.7 CC1=CC=C(O1)CCO MCULE-5823639979 [0,2,0,0,0,0|0,0,0]=2 3683 B9R1.7 CC1=CC=C(O1)N=C=O MCULE-3865431708 [0,2,0,0,0,0|0,0,2]=4 3684 B9R1.7 CC1=CC=C(S1)/C=N/O MCULE-1922624060 [0,2,0,0,0,0|0,1,1]=4 3685 B9R1.7 CC1=CC=C(S1)C=NO MCULE-2528870553 [0,2,0,0,0,0|0,1,1]=4 3686 B9R1.7 CC1=CC=C(S1)CC#N MCULE-8257952152 [0,2,0,0,0,0|1,1,0]=4 3687 B9R1.7 CC1=CC=C(S1)CCN MCULE-7834009549 [0,2,0,0,0,0|1,1,0]=4 3688 B9R1.7 CC1=CC=C(S1)CCN MCULE-8638054152 [0,2,0,0,0,0|1,1,0]=4 3689 B9R1.7 CC1=CC=C(S1)CCO MCULE-9611454914 [0,2,0,0,0,0|0,1,0]=3 3690 B9R1.7 CC1=CC=C(S1)CCS MCULE-3086425838 [0,2,0,0,0,0|0,2,0]=4 3691 B9R1.7 CC1=CN(N=C1)CCO MCULE-4679964101 [0,2,0,0,0,0|2,0,0]=4 3692 B9R1.7 CC1=CN(N=C1)CCO MCULE-7765830009 [0,2,0,0,0,0|2,0,0]=4 3693 B9R1.7 CC1=CN=C(O1)CCN MCULE-6499968896 [0,2,0,0,0,0|2,0,0]=4 3694 B9R1.7 CC1=NC(=CS1)CCO MCULE-9545476008 [0,2,0,0,0,0|2,0,0]=4 3695 B9R1.7 CC1=NC=C(O1)CC#N MCULE-6649297503 [0,2,0,0,0,0|2,0,0]=4 3696 B9R1.7 CC1=NC=C(S1)CCO MCULE-4724427156 [0,2,0,0,0,0|1,1,0]=4 3697 B9R1.7 CC1=NN(C=C1)CCO MCULE-1544304162 [0,2,0,0,0,0|2,0,0]=4 3698 B9R1.7 CC1=NN=C(O1)CCO MCULE-1385035213 [0,2,0,0,0,0|2,0,0]=4 3699 B9R1.7 CC1=NOC(=C1)CC#N MCULE-1772340575 [0,2,0,0,0,0|2,0,0]=4 3700 B9R1.7 CC1=NOC(=C1)CCCl MCULE-3788920196 [0,2,0,0,0,0|2,0,0]=4 3701 B9R1.7 CC1=NOC(=C1)CCN MCULE-3352501259 [0,2,0,0,0,0|2,0,0]=4 3702 B9R1.7 CC1=NOC(=C1)CCN MCULE-3386880725 [0,2,0,0,0,0|2,0,0]=4 3703 B9R1.7 CC1=NOC(=C1)CCO MCULE-8059577373 [0,2,0,0,0,0|1,0,0]=3 3704 B9R1.7 CC1=NOC(=C1)CON MCULE-6175013538 [0,2,0,0,0,0|1,0,0]=3 3705 B9R1.7 CCCC1=CC(=CS1)Br MCULE-1055368504 [0,2,0,0,0,0|1,1,0]=4 3706 B9R1.7 CCCC1=CC(=NO1)N MCULE-8712146601 [0,2,0,0,0,0|2,0,0]=4 3707 B9R1.7 CCCC1=CC(=O)NO1 MCULE-6359118508 [0,2,0,0,0,0|2,0,0]=4 3708 B9R1.7 CCCC1=CC=C(S1)Br MCULE-1859362001 [0,2,0,0,0,0|1,1,0]=4 3709 B9R1.7 CCOC1=CC(=NO1)N MCULE-4183413773 [0,2,0,0,0,0|2,0,0]=4 3710 B9R1.7 CCOC1C=CC(=O)O1 MCULE-4372374333 [0,2,0,0,0,0|1,0,1]=4 3711 B9R1.7 CCSC1=CC=C(S1)C MCULE-3083272999 [0,2,0,0,0,0|1,1,0]=4 3712 B9R1.7 CCSC1=CC=C(S1)Cl MCULE-5905791178 [0,2,0,0,0,0|1,1,0]=4 3713 B9R1.7 CN1C=CC(=N1)CCO MCULE-8475625678 [0,2,0,0,0,0|2,0,0]=4 3714 B9R1.7 CN1C=CC(=N1)CON MCULE-3166737741 [0,2,0,0,0,0|2,0,0]=4 3715 B9R1.7 CN1C=CC(=N1)CON MCULE-4649073540 [0,2,0,0,0,0|2,0,0]=4 3716 B9R1.7 CN1C=NC(=C1)CCO MCULE-6281291754 [0,2,0,0,0,0|2,0,0]=4 3717 B9R1.7 CNCC1=CC(=CO1)Cl MCULE-7591981109 [0,2,0,0,0,0|1,0,0]=3 3718 B9R1.7 CNCC1=CC(=CS1)Br MCULE-2363953929 [0,2,0,0,0,0|1,1,0]=4 3719 B9R1.7 CNCC1=CC(=CS1)C MCULE-1996087822 [0,2,0,0,0,0|1,1,0]=4 3720 B9R1.7 CNCC1=CC(=CS1)Cl MCULE-5235853586 [0,2,0,0,0,0|1,1,0]=4 3721 B9R1.7 CNCC1=CC(=CS1)Cl MCULE-9482346183 [0,2,0,0,0,0|1,1,0]=4 3722 B9R1.7 CNCC1=CC(=NO1)C MCULE-5821246934 [0,2,0,0,0,0|2,0,0]=4 3723 B9R1.7 CNCC1=CC(=NO1)C MCULE-6821315111 [0,2,0,0,0,0|2,0,0]=4 3724 B9R1.7 CNCC1=CC=C(O1)Br MCULE-5165242208 [0,2,0,0,0,0|1,0,0]=3 3725 B9R1.7 CNCC1=CC=C(O1)C MCULE-5649725821 [0,2,0,0,0,0|1,0,0]=3 3726 B9R1.7 CNCC1=CC=C(O1)C MCULE-7202024234 [0,2,0,0,0,0|1,0,0]=3 3727 B9R1.7 CNCC1=CC=C(O1)I MCULE-7275457360 [0,2,0,0,0,0|1,0,0]=3 3728 B9R1.7 CNCC1=CC=C(S1)Br MCULE-2273455152 [0,2,0,0,0,0|1,1,0]=4 3729 B9R1.7 CNCC1=CC=C(S1)C MCULE-3019737565 [0,2,0,0,0,0|1,1,0]=4 3730 B9R1.7 CNCC1=CC=C(S1)C MCULE-7106414407 [0,2,0,0,0,0|1,1,0]=4 3731 B9R1.7 CNCC1=CC=C(S1)Cl MCULE-4146966601 [0,2,0,0,0,0|1,1,0]=4 3732 B9R1.7 CNCC1=CC=C(S1)Cl MCULE-9291221787 [0,2,0,0,0,0|1,1,0]=4 3733 B9R1.7 CNCC1=CC=C(S1)F MCULE-6045351877 [0,2,0,0,0,0|1,1,0]=4 3734 B9R1.7 CNCC1=CC=C(S1)F MCULE-8852848267 [0,2,0,0,0,0|1,1,0]=4 3735 B9R1.7 COCC1=CC(=CS1)Br MCULE-9964092684 [0,2,0,0,0,0|0,1,0]=3 3736 B9R1.7 COCC1=CC(=NN1)N MCULE-8223715052 [0,2,0,0,0,0|2,0,0]=4 3737 B9R1.7 COCC1=CC(=NO1)C MCULE-9464103472 [0,2,0,0,0,0|1,0,0]=3 3738 B9R1.7 COCC1=CC(=NO1)N MCULE-1485237268 [0,2,0,0,0,0|1,0,0]=3 3739 B9R1.7 COCC1=CC(=NO1)N MCULE-6235242907 [0,2,0,0,0,0|1,0,0]=3 3740 B9R1.7 COCC1=CC=C(S1)Br MCULE-4098995780 [0,2,0,0,0,0|0,1,0]=3 3741 B9R1.7 COCC1=CN=C(S1)Cl MCULE-2728465819 [0,2,0,0,0,0|1,1,0]=4 3742 B9R1.7 COCC1=CN=C(S1)N MCULE-4216996892 [0,2,0,0,0,0|1,1,0]=4 3743 B9R1.7 COCC1=CSC(=N1)C MCULE-9743237857 [0,2,0,0,0,0|2,0,0]=4 3744 B9R1.7 COCC1=CSC(=N1)N MCULE-6761467873 [0,2,0,0,0,0|2,0,0]=4 3745 B9R1.7 COCC1=NC(=NO1)N MCULE-7146566607 [0,2,0,0,0,0|2,0,0]=4 3746 B9R1.7 COCC1=NN(C=C1)C MCULE-5422065066 [0,2,0,0,0,0|2,0,0]=4 3747 B9R1.7 COCC1=NN=C(O1)N MCULE-5830423632 [0,2,0,0,0,0|2,0,0]=4 3748 B9R1.7 COCC1=NNC(=C1)C MCULE-5379239093 [0,2,0,0,0,0|2,0,0]=4 3749 B9R1.7 COCC1=NNC(=O)O1 MCULE-7227753796 [0,2,0,0,0,0|2,0,0]=4 3750 B9R1.7 COCC1=NOC(=C1)N MCULE-1179729917 [0,2,0,0,0,0|2,0,0]=4 3751 B9R1.7 COCN1C=C(C=N1)Br MCULE-9980623923 [0,2,0,0,0,0|2,0,0]=4 3752 B9R1.7 COCN1C=C(C=N1)N MCULE-3871723782 [0,2,0,0,0,0|2,0,0]=4 3753 B9R1.7 N#CCC1=CC(=CS1)Br MCULE-5906868192 [0,2,0,0,0,0|1,1,0]=4 3754 B9R1.7 N#CCC1=CC=C(O1)Cl MCULE-5758744694 [0,2,0,0,0,0|1,0,0]=3 3755 B9R1.7 N#CCC1=CC=C(S1)Br MCULE-8133525247 [0,2,0,0,0,0|1,1,0]=4 3756 B9R1.7 N#CCC1=CC=C(S1)Cl MCULE-2139957566 [0,2,0,0,0,0|1,1,0]=4 3757 B9R1.7 N#CCC1=CC=C(S1)F MCULE-2785474061 [0,2,0,0,0,0|1,1,0]=4 3758 B9R1.7 NC1=CN(N=C1)CCO MCULE-1845189972 [0,2,0,0,0,0|2,0,0]=4 3759 B9R1.7 NC1=CN(N=C1)CCO MCULE-3922843236 [0,2,0,0,0,0|2,0,0]=4 3760 B9R1.7 NC1=NC(=CS1)CCO MCULE-7188892866 [0,2,0,0,0,0|2,0,0]=4 3761 B9R1.7 NC1=NC(=CS1)CCO MCULE-8861069424 [0,2,0,0,0,0|2,0,0]=4 3762 B9R1.7 NC1=NC=C(S1)CCO MCULE-2523934685 [0,2,0,0,0,0|1,1,0]=4 3763 B9R1.7 NC1=NN(C=C1)CCO MCULE-2061099270 [0,2,0,0,0,0|2,0,0]=4 3764 B9R1.7 NC1=NN(C=C1)CCO MCULE-7164342998 [0,2,0,0,0,0|2,0,0]=4 3765 B9R1.7 NC1=NNC(=C1)CCO MCULE-4536145609 [0,2,0,0,0,0|2,0,0]=4 3766 B9R1.7 NCCC1=CC(=CS1)Br MCULE-4040250111 [0,2,0,0,0,0|1,1,0]=4 3767 B9R1.7 NCCC1=CC(=CS1)Br MCULE-4383500714 [0,2,0,0,0,0|1,1,0]=4 3768 B9R1.7 NCCC1=CC(=CS1)Cl MCULE-3335837468 [0,2,0,0,0,0|1,1,0]=4 3769 B9R1.7 NCCC1=CC(=CS1)Cl MCULE-4374763052 [0,2,0,0,0,0|1,1,0]=4 3770 B9R1.7 NCCC1=CC(=NO1)Br MCULE-6734536526 [0,2,0,0,0,0|2,0,0]=4 3771 B9R1.7 NCCC1=CC(=NO1)Br MCULE-9452010182 [0,2,0,0,0,0|2,0,0]=4 3772 B9R1.7 NCCC1=CC=C(S1)Br MCULE-5767866344 [0,2,0,0,0,0|1,1,0]=4 3773 B9R1.7 NCCC1=CC=C(S1)Br MCULE-7714864719 [0,2,0,0,0,0|1,1,0]=4 3774 B9R1.7 NCCC1=CC=C(S1)Br MCULE-7922523959 [0,2,0,0,0,0|1,1,0]=4 3775 B9R1.7 NCCC1=CC=C(S1)Cl MCULE-1346045469 [0,2,0,0,0,0|1,1,0]=4 3776 B9R1.7 NCCC1=CC=C(S1)Cl MCULE-5306832124 [0,2,0,0,0,0|1,1,0]=4 3777 B9R1.7 NCCC1=CC=C(S1)I MCULE-3296188025 [0,2,0,0,0,0|1,1,0]=4 3778 B9R1.7 NCCC1=CC=C(S1)I MCULE-8968061485 [0,2,0,0,0,0|1,1,0]=4 3779 B9R1.7 NNCC1=CC=C(S1)Cl MCULE-1585485103 [0,2,0,0,0,0|1,1,0]=4 3780 B9R1.7 O/N=C/C1=CC=C(S1)Br MCULE-9060085644 [0,2,0,0,0,0|0,1,1]=4 3781 B9R1.7 O=C1CC=C(O1)CCO MCULE-5445350928 [0,2,0,0,0,0|0,0,1]=3 3782 B9R1.7 OCCC1=CC(=NO1)Br MCULE-8946394480 [0,2,0,0,0,0|1,0,0]=3 3783 B9R1.7 OCCC1=CC=C(S1)Br MCULE-7640862131 [0,2,0,0,0,0|0,1,0]=3 3784 B9R1.7 OCCC1=CC=C(S1)Cl MCULE-6342480745 [0,2,0,0,0,0|0,1,0]=3 3785 B9R1.7 OCCC1=CSC(=N1)Br MCULE-8704545342 [0,2,0,0,0,0|2,0,0]=4 3786 B9R1.7 OCCN1C=C(C=N1)Br MCULE-8047824533 [0,2,0,0,0,0|2,0,0]=4 3787 B9R1.7 OCCN1C=C(C=N1)Cl MCULE-4336740874 [0,2,0,0,0,0|2,0,0]=4 3788 B9R1.7 OCCN1C=C(C=N1)F MCULE-6660400008 [0,2,0,0,0,0|2,0,0]=4 3789 B9R1.7 OCCN1C=C(C=N1)I MCULE-9864800703 [0,2,0,0,0,0|2,0,0]=4 3790 B9R1.7 OCCN1C=C(C=N1)O MCULE-4302958261 [0,2,0,0,0,0|2,0,0]=4 3791 B9R1.7 OCCN1C=CC(=N1)Br MCULE-2834111393 [0,2,0,0,0,0|2,0,0]=4 3792 B9R1.7 ON=CC1=CC(=CO1)Cl MCULE-2602055352 [0,2,0,0,0,0|0,0,1]=3 3793 B9R1.7 ON=CC1=CC(=CS1)Br MCULE-8442554145 [0,2,0,0,0,0|0,1,1]=4 3794 B9R1.7 ON=CC1=CC(=CS1)Cl MCULE-6431212792 [0,2,0,0,0,0|0,1,1]=4 3795 B9R1.7 ON=CC1=CC=C(O1)Br MCULE-5044788472 [0,2,0,0,0,0|0,0,1]=3 3796 B9R1.7 ON=CC1=CC=C(O1)I MCULE-6438355470 [0,2,0,0,0,0|0,0,1]=3 3797 B9R1.7 ON=CC1=CC=C(S1)Br MCULE-2232681700 [0,2,0,0,0,0|0,1,1]=4 3798 B9R1.7 ON=CC1=CC=C(S1)Cl MCULE-6730167499 [0,2,0,0,0,0|0,1,1]=4 3799 B9R1.7 ON=CC1=CC=C(S1)F MCULE-7577547329 [0,2,0,0,0,0|0,1,1]=4 3800 B9R1.7 SCCC1=CC=C(S1)Cl MCULE-6919748545 [0,2,0,0,0,0|0,2,0]=4 3801 B9R1.21 C#CC1=CC=C(O1)C=O MCULE-1506524139 [0,2,0,0,0,0|0,0,2]=4 3802 B9R1.21 C#CC1=CC=C(O1)CO MCULE-3294404381 [0,2,0,0,0,0|0,0,0]=2 3803 B9R1.21 C#CC1=CC=C(S1)CC MCULE-7805241598 [0,2,0,0,0,0|1,1,0]=4 3804 B9R1.21 C#CC1=CC=C(S1)CO MCULE-5944624096 [0,2,0,0,0,0|0,1,0]=3 3805 B9R1.21 CCC1=CC(=NO1)C=O MCULE-8876471126 [0,2,0,0,0,0|2,0,0]=4 3806 B9R1.21 CCC1=CC(=NO1)CCl MCULE-8647175428 [0,2,0,0,0,0|2,0,0]=4 3807 B9R1.21 CCC1=CC(=NO1)CN MCULE-1121582258 [0,2,0,0,0,0|2,0,0]=4 3808 B9R1.21 CCC1=CC(=NO1)CN MCULE-3054550650 [0,2,0,0,0,0|2,0,0]=4 3809 B9R1.21 CCC1=CC(=NO1)CO MCULE-6477587530 [0,2,0,0,0,0|2,0,0]=4 3810 B9R1.21 CCC1=CC=C(N1)C#N MCULE-6173080978 [0,2,0,0,0,0|2,0,0]=4 3811 B9R1.21 CCC1=CC=C(N1)C=O MCULE-3752321844 [0,2,0,0,0,0|2,0,0]=4 3812 B9R1.21 CCC1=CC=C(N1)CC MCULE-1056958054 [0,2,0,0,0,0|2,0,0]=4 3813 B9R1.21 CCC1=CC=C(O1)C=O MCULE-9298200903 [0,2,0,0,0,0|1,0,0]=3 3814 B9R1.21 CCC1=CC=C(O1)CC MCULE-4867442821 [0,2,0,0,0,0|1,0,0]=3 3815 B9R1.21 CCC1=CC=C(O1)CS MCULE-9236963746 [0,2,0,0,0,0|0,1,0]=3 3816 B9R1.21 CCC1=CC=C(S1)C=O MCULE-7682931518 [0,2,0,0,0,0|1,1,0]=4 3817 B9R1.21 CCC1=CC=C(S1)CC MCULE-7354262914 [0,2,0,0,0,0|1,1,0]=4 3818 B9R1.21 CCC1=CC=C(S1)CN MCULE-6831485879 [0,2,0,0,0,0|1,1,0]=4 3819 B9R1.21 CCC1=CC=C(S1)CO MCULE-4920258202 [0,2,0,0,0,0|0,1,0]=3 3820 B9R1.21 CCC1=CC=C(S1)SC MCULE-2811596699 [0,2,0,0,0,0|1,1,0]=4 3821 B9R1.21 CCC1=CN=C(O1)CCl MCULE-9097503402 [0,2,0,0,0,0|2,0,0]=4 3822 B9R1.21 CCC1=CN=C(O1)CN MCULE-9387283970 [0,2,0,0,0,0|2,0,0]=4 3823 B9R1.21 CCC1=CN=C(S1)CO MCULE-3617037494 [0,2,0,0,0,0|1,1,0]=4 3824 B9R1.21 CCC1=CSC(=N1)CO MCULE-9039512971 [0,2,0,0,0,0|1,1,0]=4 3825 B9R1.21 CCC1=NC(=CO1)CN MCULE-9997016587 [0,2,0,0,0,0|2,0,0]=4 3826 B9R1.21 CCC1=NC(=CS1)CO MCULE-7818887825 [0,2,0,0,0,0|2,0,0]=4 3827 B9R1.21 CCC1=NC(=CS1)CO MCULE-9344447924 [0,2,0,0,0,0|2,0,0]=4 3828 B9R1.21 CCC1=NC=C(N1)CO MCULE-8834729296 [0,2,0,0,0,0|2,0,0]=4 3829 B9R1.21 CCC1=NC=C(O1)C=O MCULE-3875506361 [0,2,0,0,0,0|2,0,0]=4 3830 B9R1.21 CCC1=NC=C(O1)CCl MCULE-6465426857 [0,2,0,0,0,0|2,0,0]=4 3831 B9R1.21 CCC1=NC=C(O1)CN MCULE-6126362082 [0,2,0,0,0,0|2,0,0]=4 3832 B9R1.21 CCC1=NC=C(O1)CO MCULE-2545867242 [0,2,0,0,0,0|1,0,0]=3 3833 B9R1.21 CCC1=NC=C(S1)CO MCULE-1205984381 [0,2,0,0,0,0|1,1,0]=4 3834 B9R1.21 CCC1=NOC(=C1)CBr MCULE-6955236653 [0,2,0,0,0,0|2,0,0]=4 3835 B9R1.21 CCC1=NOC(=C1)CCl MCULE-6119975219 [0,2,0,0,0,0|2,0,0]=4 3836 B9R1.21 CCC1=NOC(=C1)CN MCULE-3852914877 [0,2,0,0,0,0|2,0,0]=4 3837 B9R1.21 CCC1=NOC(=C1)CN MCULE-8155921161 [0,2,0,0,0,0|2,0,0]=4 3838 B9R1.21 CCC1=NOC(=C1)CO MCULE-9793847490 [0,2,0,0,0,0|1,0,0]=3 3839 B9R1.21 CCC1=NOC(=N1)CO MCULE-7927207257 [0,2,0,0,0,0|2,0,0]=4 3840 B9R1.21 CCN1C=CC(=N1)CO MCULE-9595783127 [0,2,0,0,0,0|2,0,0]=4 3841 B9R1.21 CCN1C=NC(=C1)CO MCULE-9241931235 [0,2,0,0,0,0|2,0,0]=4 3842 B9R1.21 COC1=CC=C(O1)C=O MCULE-8559205357 [0,2,0,0,0,0|0,0,2]=4 3843 B9R1.21 COC1=NC=C(S1)CO MCULE-9765209480 [0,2,0,0,0,0|1,1,0]=4 3844 B9R1.21 COC1=NOC(=C1)CBr MCULE-1927541114 [0,2,0,0,0,0|2,0,0]=4 3845 B9R1.21 COC1=NOC(=C1)CCl MCULE-9169589300 [0,2,0,0,0,0|2,0,0]=4 3846 B9R1.21 COC1=NOC(=C1)CO MCULE-6192739594 [0,2,0,0,0,0|1,0,0]=3 3847 B9R1.21 COC1=NSC(=C1)CO MCULE-5686175379 [0,2,0,0,0,0|1,1,0]=4 3848 B9R1.21 CSC1=CC=C(O1)C=O MCULE-6328204803 [0,2,0,0,0,0|0,0,2]=4 3849 B9R1.21 CSC1=CC=C(O1)CO MCULE-7742816621 [0,2,0,0,0,0|0,0,0]=2 3850 B9R1.21 CSC1=NC=C(S1)CO MCULE-4581577055 [0,2,0,0,0,0|1,1,0]=4 3851 B9R1.21 ClCC1=CC=C(S1)CCl MCULE-8097590663 [0,2,0,0,0,0|1,1,0]=4 3852 B9R1.21 N#CC1=CC=C(O1)C#N MCULE-7070537699 [0,2,0,0,0,0|1,0,1]=4 3853 B9R1.21 N#CC1=CC=C(O1)C=O MCULE-2287269135 [0,2,0,0,0,0|0,0,2]=4 3854 B9R1.21 N#CC1=CC=C(O1)CBr MCULE-8797203341 [0,2,0,0,0,0|1,0,0]=3 3855 B9R1.21 N#CC1=CC=C(O1)CCl MCULE-1680842089 [0,2,0,0,0,0|1,0,0]=3 3856 B9R1.21 N#CC1=CC=C(O1)CN MCULE-5887647147 [0,2,0,0,0,0|1,0,0]=3 3857 B9R1.21 N#CC1=CC=C(O1)CN MCULE-9572841469 [0,2,0,0,0,0|1,0,0]=3 3858 B9R1.21 N#CC1=CC=C(O1)CO MCULE-6309934097 [0,2,0,0,0,0|0,0,0]=2 3859 B9R1.21 N#CC1=CC=C(S1)CBr MCULE-3770644650 [0,2,0,0,0,0|1,1,0]=4 3860 B9R1.21 N#CC1=CC=C(S1)CCl MCULE-1299503168 [0,2,0,0,0,0|1,1,0]=4 3861 B9R1.21 N#CC1=CC=C(S1)CN MCULE-8495575096 [0,2,0,0,0,0|1,1,0]=4 3862 B9R1.21 N#CC1=CC=C(S1)CN MCULE-9144834090 [0,2,0,0,0,0|1,1,0]=4 3863 B9R1.21 N#CC1=CC=C(S1)CO MCULE-7112577507 [0,2,0,0,0,0|0,1,0]=3 3864 B9R1.21 N#CC1=COC(=C1)CN MCULE-5393440254 [0,2,0,0,0,0|1,0,0]=3 3865 B9R1.21 N#CC1=COC(=C1)CN MCULE-6177459618 [0,2,0,0,0,0|1,0,0]=3 3866 B9R1.21 N#CC1=COC(=C1)CO MCULE-9587239834 [0,2,0,0,0,0|0,0,0]=2 3867 B9R1.21 N#CC1=CSC(=C1)CBr MCULE-8111588153 [0,2,0,0,0,0|1,1,0]=4 3868 B9R1.21 N#CC1=CSC(=C1)CN MCULE-2483763553 [0,2,0,0,0,0|1,1,0]=4 3869 B9R1.21 N#CC1=CSC(=C1)CN MCULE-5832126496 [0,2,0,0,0,0|1,1,0]=4 3870 B9R1.21 N#CC1=CSC(=C1)CO MCULE-9675446162 [0,2,0,0,0,0|0,1,0]=3 3871 B9R1.21 N#CC1=NOC(=C1)CN MCULE-9200143854 [0,2,0,0,0,0|2,0,0]=4 3872 B9R1.21 NCC1=CC=C(O1)CN MCULE-5833150850 [0,2,0,0,0,0|1,0,0]=3 3873 B9R1.21 NCC1=CC=C(O1)CO MCULE-1690434899 [0,2,0,0,0,0|0,0,0]=2 3874 B9R1.21 NCC1=NC(=CS1)CO MCULE-3406383845 [0,2,0,0,0,0|2,0,0]=4 3875 B9R1.21 NCC1=NC(=CS1)CO MCULE-8118467324 [0,2,0,0,0,0|2,0,0]=4 3876 B9R1.21 O=CC1=CC(=CO1)CO MCULE-3262471415 [0,2,0,0,0,0|0,0,2]=4 3877 B9R1.21 O=CC1=CC=C(N1)CO MCULE-6459178012 [0,2,0,0,0,0|1,0,0]=3 3878 B9R1.21 O=CC1=CC=C(O1)C=O MCULE-5935687674 [0,2,0,0,0,0|0,0,2]=4 3879 B9R1.21 O=CC1=CC=C(O1)CBr MCULE-6604397608 [0,2,0,0,0,0|1,0,0]=3 3880 B9R1.21 O=CC1=CC=C(O1)CCl MCULE-3991599682 [0,2,0,0,0,0|1,0,0]=3 3881 B9R1.21 O=CC1=CC=C(O1)CO MCULE-9029574240 [0,2,0,0,0,0|0,0,0]=2 3882 B9R1.21 O=CC1=COC(=N1)CCl MCULE-9285795087 [0,2,0,0,0,0|2,0,0]=4 3883 B9R1.21 O=CC1=NC(=CS1)CO MCULE-5078579209 [0,2,0,0,0,0|2,0,0]=4 3884 B9R1.21 OCC1=CC(=NN1)CO MCULE-8057754159 [0,2,0,0,0,0|2,0,0]=4 3885 B9R1.21 OCC1=CC=C(O1)CO MCULE-5077315980 [0,2,0,0,0,0|0,0,0]=2 3886 B9R1.21 OCC1=CC=C(S1)CO MCULE-4442066961 [0,2,0,0,0,0|0,1,0]=3 3887 B9R1.21 OCC1=COC(=C1)CO MCULE-1448407719 [0,2,0,0,0,0|0,0,0]=2 3888 B9R1.22 CC1=C(N=C(O1)Br)CO MCULE-7503596617 [0,2,0,0,0,0|2,0,0]=4 3889 B9R1.22 CC1=C(N=C(O1)N)CO MCULE-2146671245 [0,2,0,0,0,0|2,0,0]=4 3890 B9R1.22 CC1=C(N=C(S1)Br)CO MCULE-9071179617 [0,2,0,0,0,0|2,0,0]=4 3891 B9R1.22 CC1=C(N=C(S1)Cl)CO MCULE-2195813824 [0,2,0,0,0,0|2,0,0]=4 3892 B9R1.22 CC1=C(OC(=O)O1)CBr MCULE-7713962882 [0,2,0,0,0,0|2,0,0]=4 3893 B9R1.22 CC1=C(OC(=O)O1)CCl MCULE-7523090142 [0,2,0,0,0,0|2,0,0]=4 3894 B9R1.22 CC1=C(OC(=O)O1)CI MCULE-8507894573 [0,2,0,0,0,0|2,0,0]=4 3895 B9R1.22 CC1=C(OC(=O)O1)CO MCULE-9391603467 [0,2,0,0,0,0|1,0,0]=3 3896 B9R1.22 CC1=C(SC(=C1)Br)CN MCULE-8819498261 [0,2,0,0,0,0|1,1,0]=4 3897 B9R1.22 CC1=C(SC(=N1)Br)CO MCULE-6361191133 [0,2,0,0,0,0|1,1,0]=4 3898 B9R1.22 CC1=C(SC(=N1)Cl)CO MCULE-1878915096 [0,2,0,0,0,0|1,1,0]=4 3899 B9R1.22 CC1=CC(=C(O1)C)CO MCULE-1997957186 [0,2,0,0,0,0|2,0,0]=4 3900 B9R1.22 CC1=CC(=C(S1)C)CO MCULE-3470465755 [0,2,0,0,0,0|2,0,0]=4 3901 B9R1.22 CC1=CC(=C(S1)CCl)F MCULE-4407605796 [0,2,0,0,0,0|1,1,0]=4 3902 B9R1.22 CC1=CC(=C(S1)CN)Br MCULE-5380644519 [0,2,0,0,0,0|1,1,0]=4 3903 B9R1.22 CC1=CC(=C(S1)CN)Br MCULE-7440026229 [0,2,0,0,0,0|1,1,0]=4 3904 B9R1.22 CC1=CC(=C(S1)CN)F MCULE-4081608174 [0,2,0,0,0,0|1,1,0]=4 3905 B9R1.22 CC1=CC(=C(S1)CN)F MCULE-5959918782 [0,2,0,0,0,0|1,1,0]=4 3906 B9R1.22 CC1=CC(=NN1CO)C MCULE-5455597623 [0,2,0,0,0,0|2,0,0]=4 3907 B9R1.22 CC1=CC(=O)N(O1)CCl MCULE-4023145562 [0,2,0,0,0,0|2,0,0]=4 3908 B9R1.22 CC1=CN(C(=N1)CO)C MCULE-4378916343 [0,2,0,0,0,0|2,0,0]=4 3909 B9R1.22 CC1=CN(N=C1CO)C MCULE-9787593091 [0,2,0,0,0,0|2,0,0]=4 3910 B9R1.22 CC1=NC(=C(O1)C)CO MCULE-1641835529 [0,2,0,0,0,0|2,0,0]=4 3911 B9R1.22 CC1=NC(=C(O1)CCl)C MCULE-1675964452 [0,2,0,0,0,0|2,0,0]=4 3912 B9R1.22 CC1=NC(=C(O1)CN)C MCULE-2743007597 [0,2,0,0,0,0|2,0,0]=4 3913 B9R1.22 CC1=NC(=C(O1)CN)C MCULE-3062726088 [0,2,0,0,0,0|2,0,0]=4 3914 B9R1.22 CC1=NC(=C(O1)CN)C MCULE-4772150666 [0,2,0,0,0,0|2,0,0]=4 3915 B9R1.22 CC1=NC(=C(O1)CO)C MCULE-9781665154 [0,2,0,0,0,0|1,0,0]=3 3916 B9R1.22 CC1=NC(=C(S1)Br)CO MCULE-1193158647 [0,2,0,0,0,0|2,0,0]=4 3917 B9R1.22 CC1=NC(=C(S1)C)CO MCULE-9109166145 [0,2,0,0,0,0|2,0,0]=4 3918 B9R1.22 CC1=NC(=C(S1)CO)C MCULE-3363773760 [0,2,0,0,0,0|1,1,0]=4 3919 B9R1.22 CC1=NN(C(=C1)CO)C MCULE-7876600922 [0,2,0,0,0,0|2,0,0]=4 3920 B9R1.22 CN1C=C(C(=N1)CO)Br MCULE-9533481060 [0,2,0,0,0,0|2,0,0]=4 3921 B9R1.22 CN1C=C(C(=N1)CO)Cl MCULE-8912724846 [0,2,0,0,0,0|2,0,0]=4 3922 B9R1.22 CN1C=C(C(=N1)CO)F MCULE-6869360661 [0,2,0,0,0,0|2,0,0]=4 3923 B9R1.22 CN1C=C(C(=N1)CO)I MCULE-9062134431 [0,2,0,0,0,0|2,0,0]=4 3924 B9R1.22 CN1C=C(N=C1CO)Br MCULE-6121861445 [0,2,0,0,0,0|2,0,0]=4 3925 B9R1.22 CN1N=C(C=C1CO)I MCULE-2550411991 [0,2,0,0,0,0|2,0,0]=4 3926 B9R1.22 CN1N=C(C=C1CO)N MCULE-9637582581 [0,2,0,0,0,0|2,0,0]=4 3927 B9R1.22 FC1=C(SC(=C1)Br)CCl MCULE-3337613980 [0,2,0,0,0,0|1,1,0]=4 3928 B9R1.22 NC1=NC(=C(S1)Br)CO MCULE-5771689996 [0,2,0,0,0,0|2,0,0]=4 3929 B9R1.22 NCC1=C(C=C(S1)Br)F MCULE-6873055007 [0,2,0,0,0,0|1,1,0]=4 3930 B9R1.22 NCC1=C(C=C(S1)Br)F MCULE-9349784845 [0,2,0,0,0,0|1,1,0]=4 3931 B9R1.22 O=C1C=C(/C(=C/Br)/O1)Br MCULE-4100426311 [0,2,0,0,0,0|1,0,1]=4 3932 B9R1.22 O=C1C=C(C(=CBr)O1)Br MCULE-6600199528 [0,2,0,0,0,0|1,0,1]=4 3933 B9R1.22 OCC1=C(C=C(S1)Br)Br MCULE-7959079766 [0,2,0,0,0,0|0,1,0]=3 3934 B9R1.22 OCC1=C(C=C(S1)Br)Cl MCULE-3018751195 [0,2,0,0,0,0|0,1,0]=3 3935 B9R1.22 OCC1=C(C=C(S1)Br)F MCULE-6370668657 [0,2,0,0,0,0|0,1,0]=3 3936 B9R1.22 OCC1=C(N=C(S1)Br)Br MCULE-1248937635 [0,2,0,0,0,0|1,1,0]=4 3937 B9R1.22 OCC1=C(N=C(S1)Cl)Cl MCULE-6452435077 [0,2,0,0,0,0|1,1,0]=4 3938 B9R1.22 OCC1=C(SC(=C1)Br)Br MCULE-6775292791 [0,2,0,0,0,0|2,0,0]=4 3939 B9R1.22 OCC1=C(SC(=C1)Cl)Cl MCULE-3975725938 [0,2,0,0,0,0|2,0,0]=4 3940 B9R1.22 OCC1=C(SC(=N1)Br)Br MCULE-3759513140 [0,2,0,0,0,0|2,0,0]=4 3941 B9R1.23 CC1=C(C=C(O1)C#N)Br MCULE-9174857727 [0,2,0,0,0,0|1,0,1]=4 3942 B9R1.23 CC1=C(C=C(O1)C=O)Br MCULE-2161062135 [0,2,0,0,0,0|0,0,2]=4 3943 B9R1.23 CC1=C(C=C(S1)CO)Br MCULE-1541160308 [0,2,0,0,0,0|0,1,0]=3 3944 B9R1.23 CC1=C(NC(=N1)CO)C MCULE-8152408103 [0,2,0,0,0,0|2,0,0]=4 3945 B9R1.23 CC1=C(OC(=C1)C#N)Br MCULE-6897186658 [0,2,0,0,0,0|1,0,1]=4 3946 B9R1.23 CC1=C(OC(=C1)C=O)C MCULE-1245783918 [0,2,0,0,0,0|0,0,2]=4 3947 B9R1.23 CC1=C(OC(=N1)CCl)C MCULE-3053192985 [0,2,0,0,0,0|2,0,0]=4 3948 B9R1.23 CC1=C(OC(=N1)CN)C MCULE-1833220792 [0,2,0,0,0,0|2,0,0]=4 3949 B9R1.23 CC1=C(OC(=N1)CN)C MCULE-7464369253 [0,2,0,0,0,0|2,0,0]=4 3950 B9R1.23 CC1=C(OC(=N1)CO)C MCULE-6963947767 [0,2,0,0,0,0|1,0,0]=3 3951 B9R1.23 CC1=C(SC(=C1)CBr)Br MCULE-8067100553 [0,2,0,0,0,0|1,1,0]=4 3952 B9R1.23 CC1=C(SC(=C1)CN)C MCULE-7097024950 [0,2,0,0,0,0|1,1,0]=4 3953 B9R1.23 CC1=C(SC(=C1)CN)C MCULE-7522932400 [0,2,0,0,0,0|1,1,0]=4 3954 B9R1.23 CC1=C(SC(=N1)CO)C MCULE-5686795230 [0,2,0,0,0,0|1,1,0]=4 3955 B9R1.23 CC1=C(SC(=N1)CO)C MCULE-9157678937 [0,2,0,0,0,0|1,1,0]=4 3956 B9R1.23 CC1=C/C(=N\O)/NC1=O MCULE-4857085921 [0,2,0,0,0,0|2,0,0]=4 3957 B9R1.23 CC1=CC(=NN1C)CO MCULE-8074181715 [0,2,0,0,0,0|2,0,0]=4 3958 B9R1.23 CC1=NC(=CN1C)CO MCULE-8390384215 [0,2,0,0,0,0|2,0,0]=4 3959 B9R1.23 CCC1=NC(=C(O1)C)C MCULE-7661986651 [0,2,0,0,0,0|2,0,0]=4 3960 B9R1.23 CN1C=C(SC1=O)CO MCULE-5865881855 [0,2,0,0,0,0|1,1,0]=4 3961 B9R1.23 CN1N=C(C=C1F)CO MCULE-4555352457 [0,2,0,0,0,0|2,0,0]=4 3962 B9R1.23 CN1N=C(C=C1I)CO MCULE-5950536186 [0,2,0,0,0,0|2,0,0]=4 3963 B9R1.23 CN1N=C(C=C1N)CO MCULE-4314122487 [0,2,0,0,0,0|2,0,0]=4 3964 B9R1.23 CN1N=C(C=C1N)CO MCULE-4997485585 [0,2,0,0,0,0|2,0,0]=4 3965 B9R1.23 NCC1=CC(=C(O1)Br)Br MCULE-1311686406 [0,2,0,0,0,0|1,0,0]=3 3966 B9R1.23 O=CC1=CC(=C(O1)Br)Br MCULE-9957393774 [0,2,0,0,0,0|0,0,2]=4 3967 B9R1.23 O=CC1=CC(=C(O1)I)Br MCULE-6622876787 [0,2,0,0,0,0|0,0,2]=4 3968 B9R1.23 OCC1=CC(=C(S1)Br)Br MCULE-3616512402 [0,2,0,0,0,0|0,1,0]=3 3969 B9R1.23 OCC1=NC(=C(N1)Cl)Cl MCULE-2304936709 [0,2,0,0,0,0|2,0,0]=4 3970 B9R1.35 CC(=O)C1=CC=C(O1)Br MCULE-1389197223 [0,2,0,0,0,0|0,0,2]=4 3971 B9R1.35 CC(=O)C1=CC=C(O1)C MCULE-9973272981 [0,2,0,0,0,0|0,0,2]=4 3972 B9R1.35 CC(C)C1=CC(=NO1)N MCULE-3755087912 [0,2,0,0,0,0|2,0,0]=4 3973 B9R1.35 CC(C)C1=CN=C(O1)Br MCULE-4399255292 [0,2,0,0,0,0|2,0,0]=4 3974 B9R1.35 CC(C)C1=NC=C(O1)Br MCULE-4899859146 [0,2,0,0,0,0|2,0,0]=4 3975 B9R1.35 CC(N)C1=CC(=CS1)Br MCULE-2139321285 [0,2,0,0,0,0|1,1,0]=4 3976 B9R1.35 CC(N)C1=CC(=CS1)Br MCULE-2648124648 [0,2,0,0,0,0|1,1,0]=4 3977 B9R1.35 CC(N)C1=CC(=NO1)Br MCULE-8450216338 [0,2,0,0,0,0|2,0,0]=4 3978 B9R1.35 CC(N)C1=CC(=NO1)Br MCULE-8712726496 [0,2,0,0,0,0|2,0,0]=4 3979 B9R1.35 CC(N)C1=CC=C(O1)Br MCULE-1256244446 [0,2,0,0,0,0|1,0,0]=3 3980 B9R1.35 CC(N)C1=CC=C(O1)Br MCULE-5532075460 [0,2,0,0,0,0|1,0,0]=3 3981 B9R1.35 CC(N)C1=CC=C(S1)Br MCULE-2496132297 [0,2,0,0,0,0|1,1,0]=4 3982 B9R1.35 CC(N)C1=CC=C(S1)Br MCULE-6950947155 [0,2,0,0,0,0|1,1,0]=4 3983 B9R1.35 CC(N)C1=CC=C(S1)Cl MCULE-8664329980 [0,2,0,0,0,0|1,1,0]=4 3984 B9R1.35 CC(N)C1=CC=C(S1)Cl MCULE-9181610722 [0,2,0,0,0,0|1,1,0]=4 3985 B9R1.35 CC(N)C1=CC=C(S1)F MCULE-4664000412 [0,2,0,0,0,0|1,1,0]=4 3986 B9R1.35 CC(O)C1=CC(=CS1)Br MCULE-8374231062 [0,2,0,0,0,0|0,1,0]=3 3987 B9R1.35 CC(O)C1=CC(=NO1)Br MCULE-7236364486 [0,2,0,0,0,0|1,0,0]=3 3988 B9R1.35 CC(O)C1=CC=C(S1)Cl MCULE-1282340736 [0,2,0,0,0,0|0,1,0]=3 3989 B9R1.35 CC(O)C1=CC=C(S1)F MCULE-2977159107 [0,2,0,0,0,0|0,1,0]=3 3990 B9R1.35 CC(O)C1=CN(C=N1)C MCULE-8272294627 [0,2,0,0,0,0|2,0,0]=4 3991 B9R1.35 CC(O)C1=CN=C(S1)Br MCULE-3805870423 [0,2,0,0,0,0|1,1,0]=4 3992 B9R1.35 CC(O)C1=CSC(=C1)Br MCULE-8808974031 [0,2,0,0,0,0|2,0,0]=4 3993 B9R1.35 CC(O)C1=CSC(=C1)Cl MCULE-8174382162 [0,2,0,0,0,0|2,0,0]=4 3994 B9R1.35 CC(O)C1=CSC(=N1)Br MCULE-1934500109 [0,2,0,0,0,0|2,0,0]=4 3995 B9R1.35 CC(O)C1=NC(=CS1)Br MCULE-3086634903 [0,2,0,0,0,0|1,1,0]=4 3996 B9R1.35 CC(O)C1=NN(C=C1)C MCULE-4311882121 [0,2,0,0,0,0|2,0,0]=4 3997 B9R1.35 CC1=CC(=NO1)C(C)O MCULE-3260208762 [0,2,0,0,0,0|2,0,0]=4 3998 B9R1.35 CC1=CC(=NO1)[C@H](C)O MCULE-8890946491 [0,2,0,0,0,0|2,0,0]=4 3999 B9R1.35 CC1=CC=C(N1)C(=O)O MCULE-6987274204 [0,2,0,0,0,0|1,0,1]=4 4000 B9R1.35 CC1=CC=C(O1)B(O)O MCULE-9126537292 [0,2,0,0,0,0|1,0,0]=3 4001 B9R1.35 CC1=CC=C(O1)C(=N)N MCULE-7821654451 [0,2,0,0,0,0|1,0,1]=4 4002 B9R1.35 CC1=CC=C(O1)C(=N)N MCULE-8584104511 [0,2,0,0,0,0|1,0,1]=4 4003 B9R1.35 CC1=CC=C(O1)C(=O)Cl MCULE-1498862196 [0,2,0,0,0,0|0,0,2]=4 4004 B9R1.35 CC1=CC=C(O1)C(=O)N MCULE-8746023630 [0,2,0,0,0,0|0,0,2]=4 4005 B9R1.35 CC1=CC=C(O1)C(=O)O MCULE-6590848957 [0,2,0,0,0,0|0,0,1]=3 4006 B9R1.35 CC1=CC=C(O1)C(=S)N MCULE-2890102455 [0,2,0,0,0,0|0,1,1]=4 4007 B9R1.35 CC1=CC=C(O1)C(C)N MCULE-1661877529 [0,2,0,0,0,0|1,0,0]=3 4008 B9R1.35 CC1=CC=C(O1)C(C)N MCULE-2895692439 [0,2,0,0,0,0|1,0,0]=3 4009 B9R1.35 CC1=CC=C(O1)N(=O)=O MCULE-5021554923 [0,2,0,0,0,0|1,0,1]=4 4010 B9R1.35 CC1=CC=C(O1)[C@@H](C)N MCULE-2105241153 [0,2,0,0,0,0|1,0,0]=3 4011 B9R1.35 CC1=CC=C(O1)[C@@H](C)N MCULE-3714547333 [0,2,0,0,0,0|1,0,0]=3 4012 B9R1.35 CC1=CC=C(O1)[C@@H](C)N MCULE-4692267840 [0,2,0,0,0,0|1,0,0]=3 4013 B9R1.35 CC1=CC=C(O1)[C@@H](C)N MCULE-8119836458 [0,2,0,0,0,0|1,0,0]=3 4014 B9R1.35 CC1=CC=C(O1)[C@H](C)N MCULE-2189629463 [0,2,0,0,0,0|1,0,0]=3 4015 B9R1.35 CC1=CC=C(O1)[C@H](C)N MCULE-4184973963 [0,2,0,0,0,0|1,0,0]=3 4016 B9R1.35 CC1=CC=C(S1)B(O)O MCULE-4477447432 [0,2,0,0,0,0|1,1,0]=4 4017 B9R1.35 CC1=CC=C(S1)C(=O)O MCULE-6715993492 [0,2,0,0,0,0|0,1,1]=4 4018 B9R1.35 CC1=CC=C(S1)C(C)N MCULE-3421947079 [0,2,0,0,0,0|1,1,0]=4 4019 B9R1.35 CC1=CC=C(S1)C(C)O MCULE-7687503560 [0,2,0,0,0,0|0,1,0]=3 4020 B9R1.35 CC1=CC=C(S1)C(F)F MCULE-9178593882 [0,2,0,0,0,0|1,1,0]=4 4021 B9R1.35 CC1=CC=C(S1)[C@@H](C)N MCULE-5946751418 [0,2,0,0,0,0|1,1,0]=4 4022 B9R1.35 CC1=CC=C(S1)[C@@H](C)N MCULE-6256027205 [0,2,0,0,0,0|1,1,0]=4 4023 B9R1.35 CC1=CC=C(S1)[C@@H](C)O MCULE-4399835557 [0,2,0,0,0,0|0,1,0]=3 4024 B9R1.35 CC1=CC=C(S1)[C@H](C)N MCULE-3544785348 [0,2,0,0,0,0|1,1,0]=4 4025 B9R1.35 CC1=CC=C(S1)[C@H](C)N MCULE-9776102697 [0,2,0,0,0,0|1,1,0]=4 4026 B9R1.35 CC1=CN=C(O1)C(=O)O MCULE-5426414000 [0,2,0,0,0,0|1,0,1]=4 4027 B9R1.35 CC1=CN=C(O1)C(C)Cl MCULE-3032254730 [0,2,0,0,0,0|2,0,0]=4 4028 B9R1.35 CC1=CNC(=C1)C(=O)O MCULE-7059587168 [0,2,0,0,0,0|1,0,1]=4 4029 B9R1.35 CC1=COC(=C1)C(=O)O MCULE-9747579066 [0,2,0,0,0,0|0,0,1]=3 4030 B9R1.35 CC1=COC(=N1)C(=O)O MCULE-1328462517 [0,2,0,0,0,0|1,0,1]=4 4031 B9R1.35 CC1=CSC(=C1)B(O)O MCULE-6149138363 [0,2,0,0,0,0|1,1,0]=4 4032 B9R1.35 CC1=CSC(=C1)C(=O)O MCULE-6801775447 [0,2,0,0,0,0|0,1,1]=4 4033 B9R1.35 CC1=CSC(=N1)C(C)O MCULE-8059844216 [0,2,0,0,0,0|1,1,0]=4 4034 B9R1.35 CC1=NC=C(O1)B(O)O MCULE-9560575348 [0,2,0,0,0,0|2,0,0]=4 4035 B9R1.35 CC1=NC=C(O1)C(=O)O MCULE-6374752093 [0,2,0,0,0,0|1,0,1]=4 4036 B9R1.35 CC1=NN=C(O1)C(C)O MCULE-6993513327 [0,2,0,0,0,0|2,0,0]=4 4037 B9R1.35 CC1=NOC(=C1)B(O)O MCULE-7649651389 [0,2,0,0,0,0|2,0,0]=4 4038 B9R1.35 CC1=NOC(=C1)C(=O)O MCULE-2998502701 [0,2,0,0,0,0|1,0,1]=4 4039 B9R1.35 CC1=NOC(=C1)C(C)O MCULE-1551076013 [0,2,0,0,0,0|1,0,0]=3 4040 B9R1.35 CC1=NOC(=C1)C(F)F MCULE-2811583510 [0,2,0,0,0,0|2,0,0]=4 4041 B9R1.35 CC1=NOC(=N1)C(C)O MCULE-5265072090 [0,2,0,0,0,0|2,0,0]=4 4042 B9R1.35 C[C@@H](N)C1=CC(=CS1)Br MCULE-1636387280 [0,2,0,0,0,0|1,1,0]=4 4043 B9R1.35 C[C@@H](N)C1=CC(=CS1)Br MCULE-4189821576 [0,2,0,0,0,0|1,1,0]=4 4044 B9R1.35 C[C@@H](N)C1=CC(=CS1)Br MCULE-8664578336 [0,2,0,0,0,0|1,1,0]=4 4045 B9R1.35 C[C@@H](N)C1=CC(=CS1)Br MCULE-9904824089 [0,2,0,0,0,0|1,1,0]=4 4046 B9R1.35 C[C@@H](N)C1=CC=C(O1)Br MCULE-2566229233 [0,2,0,0,0,0|1,0,0]=3 4047 B9R1.35 C[C@@H](N)C1=CC=C(O1)Br MCULE-4504354561 [0,2,0,0,0,0|1,0,0]=3 4048 B9R1.35 C[C@@H](N)C1=CC=C(O1)Br MCULE-6750627800 [0,2,0,0,0,0|1,0,0]=3 4049 B9R1.35 C[C@@H](N)C1=CC=C(O1)Br MCULE-8329103305 [0,2,0,0,0,0|1,0,0]=3 4050 B9R1.35 C[C@@H](N)C1=CC=C(O1)Cl MCULE-9619640252 [0,2,0,0,0,0|1,0,0]=3 4051 B9R1.35 C[C@@H](N)C1=CC=C(O1)Cl MCULE-9749130535 [0,2,0,0,0,0|1,0,0]=3 4052 B9R1.35 C[C@@H](N)C1=CC=C(S1)Br MCULE-2317746826 [0,2,0,0,0,0|1,1,0]=4 4053 B9R1.35 C[C@@H](N)C1=CC=C(S1)Br MCULE-6605688307 [0,2,0,0,0,0|1,1,0]=4 4054 B9R1.35 C[C@@H](N)C1=CC=C(S1)Br MCULE-8250541377 [0,2,0,0,0,0|1,1,0]=4 4055 B9R1.35 C[C@@H](N)C1=CC=C(S1)Br MCULE-9656698301 [0,2,0,0,0,0|1,1,0]=4 4056 B9R1.35 C[C@@H](N)C1=CC=C(S1)Cl MCULE-1479196007 [0,2,0,0,0,0|1,1,0]=4 4057 B9R1.35 C[C@@H](N)C1=CC=C(S1)Cl MCULE-4914471490 [0,2,0,0,0,0|1,1,0]=4 4058 B9R1.35 C[C@@H](O)C1=CC(=CS1)Br MCULE-1219250851 [0,2,0,0,0,0|0,1,0]=3 4059 B9R1.35 C[C@@H](O)C1=CC(=CS1)Br MCULE-8908249854 [0,2,0,0,0,0|0,1,0]=3 4060 B9R1.35 C[C@@H](O)C1=CC=C(S1)Br MCULE-9179278493 [0,2,0,0,0,0|0,1,0]=3 4061 B9R1.35 C[C@H](N)C1=CC(=CS1)Br MCULE-2842776228 [0,2,0,0,0,0|1,1,0]=4 4062 B9R1.35 C[C@H](N)C1=CC(=CS1)Br MCULE-4398369244 [0,2,0,0,0,0|1,1,0]=4 4063 B9R1.35 C[C@H](N)C1=CC(=CS1)Br MCULE-7689905613 [0,2,0,0,0,0|1,1,0]=4 4064 B9R1.35 C[C@H](N)C1=CC(=CS1)Br MCULE-8969474661 [0,2,0,0,0,0|1,1,0]=4 4065 B9R1.35 C[C@H](N)C1=CC=C(O1)Br MCULE-3622199264 [0,2,0,0,0,0|1,0,0]=3 4066 B9R1.35 C[C@H](N)C1=CC=C(O1)Br MCULE-4209997011 [0,2,0,0,0,0|1,0,0]=3 4067 B9R1.35 C[C@H](N)C1=CC=C(O1)Br MCULE-5375549487 [0,2,0,0,0,0|1,0,0]=3 4068 B9R1.35 C[C@H](N)C1=CC=C(O1)Br MCULE-6517735197 [0,2,0,0,0,0|1,0,0]=3 4069 B9R1.35 C[C@H](N)C1=CC=C(O1)Cl MCULE-5573538630 [0,2,0,0,0,0|1,0,0]=3 4070 B9R1.35 C[C@H](N)C1=CC=C(O1)Cl MCULE-6385876671 [0,2,0,0,0,0|1,0,0]=3 4071 B9R1.35 C[C@H](N)C1=CC=C(S1)Br MCULE-7207195196 [0,2,0,0,0,0|1,1,0]=4 4072 B9R1.35 C[C@H](N)C1=CC=C(S1)Br MCULE-7406555535 [0,2,0,0,0,0|1,1,0]=4 4073 B9R1.35 C[C@H](N)C1=CC=C(S1)Cl MCULE-2298443110 [0,2,0,0,0,0|1,1,0]=4 4074 B9R1.35 C[C@H](N)C1=CC=C(S1)Cl MCULE-3483936613 [0,2,0,0,0,0|1,1,0]=4 4075 B9R1.35 C[C@H](N)C1=CC=C(S1)Cl MCULE-3547388183 [0,2,0,0,0,0|1,1,0]=4 4076 B9R1.35 C[C@H](N)C1=CC=C(S1)Cl MCULE-4001760632 [0,2,0,0,0,0|1,1,0]=4 4077 B9R1.35 C[C@H](O)C1=CC(=CS1)Br MCULE-5199618471 [0,2,0,0,0,0|0,1,0]=3 4078 B9R1.35 C[C@H](O)C1=CC(=CS1)Br MCULE-5239893848 [0,2,0,0,0,0|0,1,0]=3 4079 B9R1.35 C[C@H](O)C1=CC=C(S1)Br MCULE-1030110913 [0,2,0,0,0,0|0,1,0]=3 4080 B9R1.35 C[C@H](O)C1=CSC(=C1)Cl MCULE-3395752507 [0,2,0,0,0,0|2,0,0]=4 4081 B9R1.35 FC(F)C1=CC(=CS1)Br MCULE-6479746381 [0,2,0,0,0,0|1,1,0]=4 4082 B9R1.35 FC(F)C1=CC=C(O1)Br MCULE-7118537258 [0,2,0,0,0,0|1,0,0]=3 4083 B9R1.35 FC(F)C1=CC=C(S1)Br MCULE-4992699663 [0,2,0,0,0,0|1,1,0]=4 4084 B9R1.35 N=C(N)C1=CC=C(O1)Br MCULE-2862441933 [0,2,0,0,0,0|1,0,1]=4 4085 B9R1.35 N=C(N)C1=CC=C(O1)Br MCULE-3904603186 [0,2,0,0,0,0|1,0,1]=4 4086 B9R1.35 N=C(N)C1=CC=C(O1)I MCULE-4333261052 [0,2,0,0,0,0|1,0,1]=4 4087 B9R1.35 N=C(N)C1=CC=C(O1)I MCULE-5158085991 [0,2,0,0,0,0|1,0,1]=4 4088 B9R1.35 NC(=O)C1=CC(=CO1)Br MCULE-8738255576 [0,2,0,0,0,0|0,0,2]=4 4089 B9R1.35 NC(=O)C1=CC=C(O1)Br MCULE-7532932219 [0,2,0,0,0,0|0,0,2]=4 4090 B9R1.35 NC(=O)C1=CC=C(O1)I MCULE-1266825193 [0,2,0,0,0,0|0,0,2]=4 4091 B9R1.35 NC1=CC=C(N1)C(=O)O MCULE-5208029782 [0,2,0,0,0,0|1,0,1]=4 4092 B9R1.35 NC1=CNC(=C1)C(=O)O MCULE-5415250073 [0,2,0,0,0,0|1,0,1]=4 4093 B9R1.35 NC1=CSC(=C1)C(=O)O MCULE-4848582549 [0,2,0,0,0,0|0,1,1]=4 4094 B9R1.35 NC1=CSC(=C1)C(=O)O MCULE-7512029277 [0,2,0,0,0,0|0,1,1]=4 4095 B9R1.35 NC1=NC=C(O1)C(=O)O MCULE-9746785354 [0,2,0,0,0,0|1,0,1]=4 4096 B9R1.35 NC1=NOC(=C1)C(=O)O MCULE-6813059933 [0,2,0,0,0,0|1,0,1]=4 4097 B9R1.35 O=C(Cl)C1=CC=C(O1)Br MCULE-4822647716 [0,2,0,0,0,0|0,0,2]=4 4098 B9R1.35 O=C(Cl)C1=CC=C(O1)Cl MCULE-8350215092 [0,2,0,0,0,0|0,0,2]=4 4099 B9R1.35 O=C(O)C1=CC(=CN1)Br MCULE-5413993794 [0,2,0,0,0,0|1,0,1]=4 4100 B9R1.35 O=C(O)C1=CC(=CN1)Cl MCULE-3563331543 [0,2,0,0,0,0|1,0,1]=4 4101 B9R1.35 O=C(O)C1=CC(=CN1)F MCULE-5396770825 [0,2,0,0,0,0|1,0,1]=4 4102 B9R1.35 O=C(O)C1=CC(=CN1)I MCULE-6663353052 [0,2,0,0,0,0|1,0,1]=4 4103 B9R1.35 O=C(O)C1=CC(=CO1)Br MCULE-8874165183 [0,2,0,0,0,0|0,0,1]=3 4104 B9R1.35 O=C(O)C1=CC(=CO1)Cl MCULE-2755887010 [0,2,0,0,0,0|0,0,1]=3 4105 B9R1.35 O=C(O)C1=CC(=CS1)Br MCULE-3215230238 [0,2,0,0,0,0|0,1,1]=4 4106 B9R1.35 O=C(O)C1=CC(=CS1)Cl MCULE-5391563592 [0,2,0,0,0,0|0,1,1]=4 4107 B9R1.35 O=C(O)C1=CC(=CS1)F MCULE-6565971084 [0,2,0,0,0,0|0,1,1]=4 4108 B9R1.35 O=C(O)C1=CC(=CS1)O MCULE-4772728495 [0,2,0,0,0,0|0,1,1]=4 4109 B9R1.35 O=C(O)C1=CC(=NO1)Br MCULE-6001904598 [0,2,0,0,0,0|1,0,1]=4 4110 B9R1.35 O=C(O)C1=CC(=NO1)Cl MCULE-3407836735 [0,2,0,0,0,0|1,0,1]=4 4111 B9R1.35 O=C(O)C1=CC(=NO1)O MCULE-4091331329 [0,2,0,0,0,0|1,0,1]=4 4112 B9R1.35 O=C(O)C1=CC=C(N1)Br MCULE-7394837443 [0,2,0,0,0,0|1,0,1]=4 4113 B9R1.35 O=C(O)C1=CC=C(N1)Cl MCULE-5770211324 [0,2,0,0,0,0|1,0,1]=4 4114 B9R1.35 O=C(O)C1=CC=C(O1)Br MCULE-6194417885 [0,2,0,0,0,0|0,0,1]=3 4115 B9R1.35 O=C(O)C1=CC=C(O1)Cl MCULE-1354138883 [0,2,0,0,0,0|0,0,1]=3 4116 B9R1.35 O=C(O)C1=CC=C(O1)F MCULE-1270135272 [0,2,0,0,0,0|0,0,1]=3 4117 B9R1.35 O=C(O)C1=CC=C(O1)I MCULE-9691222760 [0,2,0,0,0,0|0,0,1]=3 4118 B9R1.35 O=C(O)C1=CC=C(S1)Br MCULE-4848894693 [0,2,0,0,0,0|0,1,1]=4 4119 B9R1.35 O=C(O)C1=CC=C(S1)Cl MCULE-5610315272 [0,2,0,0,0,0|0,1,1]=4 4120 B9R1.35 O=C(O)C1=CC=C(S1)F MCULE-9715640662 [0,2,0,0,0,0|0,1,1]=4 4121 B9R1.35 O=C(O)C1=CC=C(S1)I MCULE-2454892500 [0,2,0,0,0,0|0,1,1]=4 4122 B9R1.35 O=C(O)C1=CN=C(O1)Br MCULE-1205835335 [0,2,0,0,0,0|1,0,1]=4 4123 B9R1.35 O=C(O)C1=CN=C(O1)Cl MCULE-3783515083 [0,2,0,0,0,0|1,0,1]=4 4124 B9R1.35 O=C(O)C1=NC(=CO1)Br MCULE-7910036298 [0,2,0,0,0,0|1,0,1]=4 4125 B9R1.35 O=C(O)C1=NC(=CO1)Cl MCULE-6405842038 [0,2,0,0,0,0|1,0,1]=4 4126 B9R1.35 O=C(O)C1=NC=C(O1)Br MCULE-7919798812 [0,2,0,0,0,0|1,0,1]=4 4127 B9R1.35 O=C(O)C1=NC=C(O1)Cl MCULE-8432156268 [0,2,0,0,0,0|1,0,1]=4 4128 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,2,0,0,0,0|1,0,1]=4 4129 B9R1.35 O=N(=O)C1=CC=C(O1)Br MCULE-1942976189 [0,2,0,0,0,0|1,0,1]=4 4130 B9R1.35 O=S(O)C1=CC=C(S1)Cl MCULE-3042429330 [0,2,0,0,0,0|1,1,0]=4 4131 B9R1.35 OB(O)C1=CC(=CS1)Br MCULE-2132833194 [0,2,0,0,0,0|1,1,0]=4 4132 B9R1.35 OB(O)C1=CC(=CS1)Cl MCULE-3026983126 [0,2,0,0,0,0|1,1,0]=4 4133 B9R1.35 OB(O)C1=CC(=CS1)F MCULE-6424940571 [0,2,0,0,0,0|1,1,0]=4 4134 B9R1.35 OB(O)C1=CC(=NO1)Br MCULE-8984991797 [0,2,0,0,0,0|2,0,0]=4 4135 B9R1.35 OB(O)C1=CC=C(O1)F MCULE-7158074376 [0,2,0,0,0,0|1,0,0]=3 4136 B9R1.35 OB(O)C1=CC=C(S1)Br MCULE-8665014541 [0,2,0,0,0,0|1,1,0]=4 4137 B9R1.35 OB(O)C1=CC=C(S1)Cl MCULE-9320879383 [0,2,0,0,0,0|1,1,0]=4 4138 B9R1.35 OC(O)C1=CC(=NN1)Br MCULE-6959457237 [0,2,0,0,0,0|2,0,0]=4 4139 B9R1.132 CC1=C(C(=CS1)CO)C MCULE-7302048341 [0,2,0,0,0,0|2,0,0]=4 4140 B9R1.132 CC1=C(C(=NO1)CO)Br MCULE-8855267827 [0,2,0,0,0,0|2,0,0]=4 4141 B9R1.132 CC1=C(C(=NO1)CO)I MCULE-7658286438 [0,2,0,0,0,0|2,0,0]=4 4142 B9R1.132 CC1=C(N=CN1C)CO MCULE-6640031911 [0,2,0,0,0,0|2,0,0]=4 4143 B9R1.132 CC1=C(ON=C1CO)Br MCULE-8246280759 [0,2,0,0,0,0|2,0,0]=4 4144 B9R1.132 CC1=CC=C(N1C)CN MCULE-6062893114 [0,2,0,0,0,0|2,0,0]=4 4145 B9R1.132 CC1=CN=C(N1C)CO MCULE-4679557904 [0,2,0,0,0,0|2,0,0]=4 4146 B9R1.132 CC1=CSC(=C1Cl)CO MCULE-8548431611 [0,2,0,0,0,0|0,1,0]=3 4147 B9R1.132 CC1=NC=C(N1C)CO MCULE-1121831313 [0,2,0,0,0,0|2,0,0]=4 4148 B9R1.132 CC1=NNC(=C1Br)CO MCULE-4826081057 [0,2,0,0,0,0|2,0,0]=4 4149 B9R1.132 CC1=NOC(=C1Br)CBr MCULE-7552778296 [0,2,0,0,0,0|2,0,0]=4 4150 B9R1.132 CC1=NOC(=C1Br)CO MCULE-9915654867 [0,2,0,0,0,0|1,0,0]=3 4151 B9R1.132 CC1=NOC(=C1Br)C[NH3+] MCULE-3626355778 [0,2,0,0,0,0|2,0,0]=4 4152 B9R1.132 CC1=NOC(=C1Br)C[NH3+] MCULE-3763275986 [0,2,0,0,0,0|2,0,0]=4 4153 B9R1.132 CC1=NOC(=C1Cl)CCl MCULE-5504702368 [0,2,0,0,0,0|2,0,0]=4 4154 B9R1.132 CC1=NOC(=C1I)CO MCULE-2722862719 [0,2,0,0,0,0|1,0,0]=3 4155 B9R1.132 CC1=NSC(=C1Br)CO MCULE-8326332362 [0,2,0,0,0,0|1,1,0]=4 4156 B9R1.132 CN1C(=CN=C1Br)CO MCULE-9993976307 [0,2,0,0,0,0|2,0,0]=4 4157 B9R1.132 CN1C(=CN=C1CO)Br MCULE-4287420695 [0,2,0,0,0,0|2,0,0]=4 4158 B9R1.132 CN1C(=CN=C1CO)Cl MCULE-2587686589 [0,2,0,0,0,0|2,0,0]=4 4159 B9R1.132 CN1C(=CN=C1CO)Cl MCULE-3401390374 [0,2,0,0,0,0|2,0,0]=4 4160 B9R1.132 CN1C(=CN=C1Cl)CO MCULE-6051783841 [0,2,0,0,0,0|2,0,0]=4 4161 B9R1.132 CN1C(=CN=C1N)CO MCULE-7979356793 [0,2,0,0,0,0|2,0,0]=4 4162 B9R1.132 CN1C(=S)NC=C1CO MCULE-1386822124 [0,2,0,0,0,0|2,0,0]=4 4163 B9R1.132 O=CC1=C(C(=CO1)Br)Br MCULE-2681368495 [0,2,0,0,0,0|0,0,2]=4 4164 B9R1.132 OCC1=C(C(=NS1)Cl)Cl MCULE-7927707042 [0,2,0,0,0,0|1,1,0]=4 4165 B9R1.11 C#CC(O)C1=CSC=C1 MCULE-3274573722 [0,2,0,0,0,0|2,0,0]=4 4166 B9R1.11 C/C(=N/O)/C1=CC=CO1 MCULE-6437759287 [0,2,0,0,0,0|0,0,1]=3 4167 B9R1.11 C/C(=N/O)/C1=CC=CS1 MCULE-5386735626 [0,2,0,0,0,0|0,1,1]=4 4168 B9R1.11 C/C(=N\O)/C1=CC=CO1 MCULE-2267425552 [0,2,0,0,0,0|0,0,1]=3 4169 B9R1.11 C/C(=N\O)/C1=CC=CS1 MCULE-9426896925 [0,2,0,0,0,0|0,1,1]=4 4170 B9R1.11 C=C[C@@H](N)C1=CC=CN1 MCULE-2039273360 [0,2,0,0,0,0|2,0,0]=4 4171 B9R1.11 C=C[C@@H](N)C1=CC=CN1 MCULE-5563891659 [0,2,0,0,0,0|2,0,0]=4 4172 B9R1.11 C=C[C@@H](N)C1=CC=CO1 MCULE-2998659581 [0,2,0,0,0,0|1,0,0]=3 4173 B9R1.11 C=C[C@@H](N)C1=CC=CO1 MCULE-4938527511 [0,2,0,0,0,0|1,0,0]=3 4174 B9R1.11 C=C[C@@H](N)C1=CC=CS1 MCULE-1954429131 [0,2,0,0,0,0|1,1,0]=4 4175 B9R1.11 C=C[C@@H](N)C1=CC=CS1 MCULE-7444111835 [0,2,0,0,0,0|1,1,0]=4 4176 B9R1.11 C=C[C@H](N)C1=CC=CN1 MCULE-2024102559 [0,2,0,0,0,0|2,0,0]=4 4177 B9R1.11 C=C[C@H](N)C1=CC=CN1 MCULE-6215815299 [0,2,0,0,0,0|2,0,0]=4 4178 B9R1.11 C=C[C@H](N)C1=CC=CO1 MCULE-1081781529 [0,2,0,0,0,0|1,0,0]=3 4179 B9R1.11 C=C[C@H](N)C1=CC=CO1 MCULE-6198096087 [0,2,0,0,0,0|1,0,0]=3 4180 B9R1.11 C=C[C@H](N)C1=CC=CS1 MCULE-1944091403 [0,2,0,0,0,0|1,1,0]=4 4181 B9R1.11 C=C[C@H](N)C1=CC=CS1 MCULE-6065409407 [0,2,0,0,0,0|1,1,0]=4 4182 B9R1.11 CC(=NO)C1=CC=CO1 MCULE-1230759137 [0,2,0,0,0,0|0,0,1]=3 4183 B9R1.11 CC(=NO)C1=CC=CS1 MCULE-5088281907 [0,2,0,0,0,0|0,1,1]=4 4184 B9R1.11 CC(C#N)C1=CC=CO1 MCULE-8547485549 [0,2,0,0,0,0|1,0,0]=3 4185 B9R1.11 CC(C#N)C1=CC=CS1 MCULE-1043411956 [0,2,0,0,0,0|1,1,0]=4 4186 B9R1.11 CC(CN)C1=CC=CS1 MCULE-7203464505 [0,2,0,0,0,0|1,1,0]=4 4187 B9R1.11 CC(CN)C1=NC=CO1 MCULE-1532499982 [0,2,0,0,0,0|2,0,0]=4 4188 B9R1.11 CC(CN)C1=NC=CO1 MCULE-4384696730 [0,2,0,0,0,0|2,0,0]=4 4189 B9R1.11 CC(CO)C1=NC=CN1 MCULE-2744627999 [0,2,0,0,0,0|2,0,0]=4 4190 B9R1.11 CC(CO)N1C=CC=N1 MCULE-2972560780 [0,2,0,0,0,0|2,0,0]=4 4191 B9R1.11 CC(NO)C1=CC=CO1 MCULE-1295152604 [0,2,0,0,0,0|0,0,0]=2 4192 B9R1.11 CC(NO)C1=CC=CS1 MCULE-2478046614 [0,2,0,0,0,0|0,1,0]=3 4193 B9R1.11 CCC(=O)C1=CC=CN1 MCULE-8551092494 [0,2,0,0,0,0|2,0,0]=4 4194 B9R1.11 CCC(=O)C1=CC=CO1 MCULE-4737175065 [0,2,0,0,0,0|1,0,0]=3 4195 B9R1.11 CCC(=O)C1=CC=CS1 MCULE-6810531901 [0,2,0,0,0,0|1,1,0]=4 4196 B9R1.11 CCC(=O)C1=NC=CO1 MCULE-6498964393 [0,2,0,0,0,0|2,0,0]=4 4197 B9R1.11 CCC(N)C1=CC=CO1 MCULE-1360923830 [0,2,0,0,0,0|1,0,0]=3 4198 B9R1.11 CCC(N)C1=CC=CO1 MCULE-9964179923 [0,2,0,0,0,0|1,0,0]=3 4199 B9R1.11 CCC(N)C1=CC=CS1 MCULE-1719425351 [0,2,0,0,0,0|1,1,0]=4 4200 B9R1.11 CCC(N)C1=CC=CS1 MCULE-4269187791 [0,2,0,0,0,0|1,1,0]=4 4201 B9R1.11 CCC(O)C1=CC=CO1 MCULE-1745360927 [0,2,0,0,0,0|0,0,0]=2 4202 B9R1.11 CCC(O)C1=CC=CS1 MCULE-9322065867 [0,2,0,0,0,0|0,1,0]=3 4203 B9R1.11 CCC(O)C1=NC=CN1 MCULE-8791493353 [0,2,0,0,0,0|2,0,0]=4 4204 B9R1.11 CC[C@@H](N)C1=CC=CN1 MCULE-2308991887 [0,2,0,0,0,0|2,0,0]=4 4205 B9R1.11 CC[C@@H](N)C1=CC=CN1 MCULE-6471898683 [0,2,0,0,0,0|2,0,0]=4 4206 B9R1.11 CC[C@@H](N)C1=CC=CO1 MCULE-1288452519 [0,2,0,0,0,0|1,0,0]=3 4207 B9R1.11 CC[C@@H](N)C1=CC=CO1 MCULE-8312880701 [0,2,0,0,0,0|1,0,0]=3 4208 B9R1.11 CC[C@@H](N)C1=CC=CS1 MCULE-1237769749 [0,2,0,0,0,0|1,1,0]=4 4209 B9R1.11 CC[C@@H](N)C1=CC=CS1 MCULE-2187042638 [0,2,0,0,0,0|1,1,0]=4 4210 B9R1.11 CC[C@H](N)C1=CC=CN1 MCULE-4275811180 [0,2,0,0,0,0|2,0,0]=4 4211 B9R1.11 CC[C@H](N)C1=CC=CN1 MCULE-4753200468 [0,2,0,0,0,0|2,0,0]=4 4212 B9R1.11 CC[C@H](N)C1=CC=CO1 MCULE-4237682737 [0,2,0,0,0,0|1,0,0]=3 4213 B9R1.11 CC[C@H](N)C1=CC=CO1 MCULE-4480012950 [0,2,0,0,0,0|1,0,0]=3 4214 B9R1.11 CC[C@H](N)C1=CC=CS1 MCULE-3995185457 [0,2,0,0,0,0|1,1,0]=4 4215 B9R1.11 CC[C@H](N)C1=CC=CS1 MCULE-8586745736 [0,2,0,0,0,0|1,1,0]=4 4216 B9R1.11 CNC(=O)C1=CC=CO1 MCULE-1487004354 [0,2,0,0,0,0|0,0,2]=4 4217 B9R1.11 CNC(C)C1=CC=CO1 MCULE-2569725308 [0,2,0,0,0,0|1,0,0]=3 4218 B9R1.11 CNC(C)C1=CC=CO1 MCULE-7978787311 [0,2,0,0,0,0|1,0,0]=3 4219 B9R1.11 CNC(C)C1=CC=CS1 MCULE-2131171394 [0,2,0,0,0,0|1,1,0]=4 4220 B9R1.11 CNC(C)C1=CC=CS1 MCULE-6487153460 [0,2,0,0,0,0|1,1,0]=4 4221 B9R1.11 COC(=N)C1=CC=CS1 MCULE-1241669861 [0,2,0,0,0,0|0,1,1]=4 4222 B9R1.11 COC(=N)C1=CC=CS1 MCULE-2085512557 [0,2,0,0,0,0|0,1,1]=4 4223 B9R1.11 COC(=O)C1=CC=CN1 MCULE-1019290603 [0,2,0,0,0,0|1,0,1]=4 4224 B9R1.11 COC(=O)C1=CC=CO1 MCULE-5445948487 [0,2,0,0,0,0|0,0,1]=3 4225 B9R1.11 COC(=O)C1=CC=CS1 MCULE-4187665335 [0,2,0,0,0,0|0,1,1]=4 4226 B9R1.11 COC(=O)C1=CC=NO1 MCULE-8662259655 [0,2,0,0,0,0|1,0,1]=4 4227 B9R1.11 COC(=O)C1=CN=CO1 MCULE-1331657317 [0,2,0,0,0,0|1,0,1]=4 4228 B9R1.11 COC(=O)C1=NC=CO1 MCULE-1501535558 [0,2,0,0,0,0|1,0,1]=4 4229 B9R1.11 CSC(=O)C1=CC=CO1 MCULE-2334935294 [0,2,0,0,0,0|0,0,2]=4 4230 B9R1.11 N#CC(=O)C1=CC=CO1 MCULE-1058610087 [0,2,0,0,0,0|0,0,2]=4 4231 B9R1.11 N#CC(N)C1=CC=CS1 MCULE-1677199571 [0,2,0,0,0,0|1,1,0]=4 4232 B9R1.11 N#CC(N)C1=CC=CS1 MCULE-5989541497 [0,2,0,0,0,0|1,1,0]=4 4233 B9R1.11 N/C(=N\O)/C1=CC=CN1 MCULE-6946539877 [0,2,0,0,0,0|1,0,1]=4 4234 B9R1.11 N/C(=N\O)/C1=CC=CO1 MCULE-8310019760 [0,2,0,0,0,0|0,0,1]=3 4235 B9R1.11 N/C(=N\O)/C1=CC=CO1 MCULE-9115928853 [0,2,0,0,0,0|0,0,1]=3 4236 B9R1.11 N/C(=N\O)/C1=CC=CS1 MCULE-6814860394 [0,2,0,0,0,0|0,1,1]=4 4237 B9R1.11 NC(CO)C1=CC=CO1 MCULE-8674475765 [0,2,0,0,0,0|0,0,0]=2 4238 B9R1.11 NC(CO)C1=CC=CS1 MCULE-4654722748 [0,2,0,0,0,0|0,1,0]=3 4239 B9R1.11 NC(CO)C1=CC=CS1 MCULE-6564477027 [0,2,0,0,0,0|0,1,0]=3 4240 B9R1.11 NC(CO)C1=CSC=C1 MCULE-8039766948 [0,2,0,0,0,0|2,0,0]=4 4241 B9R1.11 NC(CO)C1=NC=CN1 MCULE-2608474734 [0,2,0,0,0,0|2,0,0]=4 4242 B9R1.11 NC(CO)C1=NC=CN1 MCULE-5031146044 [0,2,0,0,0,0|2,0,0]=4 4243 B9R1.11 NC(CO)C1=NC=CO1 MCULE-8494271225 [0,2,0,0,0,0|1,0,0]=3 4244 B9R1.11 NC(CO)C1=NC=CS1 MCULE-3995097179 [0,2,0,0,0,0|1,1,0]=4 4245 B9R1.11 NC(CO)C1=NC=CS1 MCULE-6518033522 [0,2,0,0,0,0|1,1,0]=4 4246 B9R1.11 NCC(=O)C1=CC=CN1 MCULE-1231860671 [0,2,0,0,0,0|2,0,0]=4 4247 B9R1.11 NCC(=O)C1=CC=CO1 MCULE-5077908932 [0,2,0,0,0,0|1,0,0]=3 4248 B9R1.11 NCC(=O)C1=CC=CO1 MCULE-7639782556 [0,2,0,0,0,0|1,0,0]=3 4249 B9R1.11 NCC(=O)C1=CC=CS1 MCULE-7070228037 [0,2,0,0,0,0|1,1,0]=4 4250 B9R1.11 NCC(N)C1=CC=CS1 MCULE-2210711596 [0,2,0,0,0,0|1,1,0]=4 4251 B9R1.11 NCC(O)C1=CC=CO1 MCULE-2830154722 [0,2,0,0,0,0|0,0,0]=2 4252 B9R1.11 NCC(O)C1=CC=CS1 MCULE-7751441999 [0,2,0,0,0,0|0,1,0]=3 4253 B9R1.11 NCC(O)C1=CN=CS1 MCULE-6307409235 [0,2,0,0,0,0|1,1,0]=4 4254 B9R1.11 NCC(O)C1=CN=CS1 MCULE-7956289150 [0,2,0,0,0,0|1,1,0]=4 4255 B9R1.11 NCC(O)C1=CNC=N1 MCULE-4208813696 [0,2,0,0,0,0|2,0,0]=4 4256 B9R1.11 NCC(O)C1=CNC=N1 MCULE-7926950823 [0,2,0,0,0,0|2,0,0]=4 4257 B9R1.11 NCC(O)C1=CSC=C1 MCULE-7918067705 [0,2,0,0,0,0|2,0,0]=4 4258 B9R1.11 NC[C@@H](N)C1=CC=CN1 MCULE-3171046397 [0,2,0,0,0,0|2,0,0]=4 4259 B9R1.11 NC[C@@H](N)C1=CC=CN1 MCULE-4588985866 [0,2,0,0,0,0|2,0,0]=4 4260 B9R1.11 NC[C@@H](N)C1=CC=CO1 MCULE-1919937887 [0,2,0,0,0,0|1,0,0]=3 4261 B9R1.11 NC[C@@H](N)C1=CC=CO1 MCULE-2635269793 [0,2,0,0,0,0|1,0,0]=3 4262 B9R1.11 NC[C@@H](N)C1=CC=CS1 MCULE-1473868094 [0,2,0,0,0,0|1,1,0]=4 4263 B9R1.11 NC[C@@H](N)C1=CC=CS1 MCULE-3374700668 [0,2,0,0,0,0|1,1,0]=4 4264 B9R1.11 NC[C@H](N)C1=CC=CN1 MCULE-2306715549 [0,2,0,0,0,0|2,0,0]=4 4265 B9R1.11 NC[C@H](N)C1=CC=CN1 MCULE-5668391280 [0,2,0,0,0,0|2,0,0]=4 4266 B9R1.11 NC[C@H](N)C1=CC=CO1 MCULE-4402543350 [0,2,0,0,0,0|1,0,0]=3 4267 B9R1.11 NC[C@H](N)C1=CC=CO1 MCULE-7841263254 [0,2,0,0,0,0|1,0,0]=3 4268 B9R1.11 NC[C@H](N)C1=CC=CS1 MCULE-1116922890 [0,2,0,0,0,0|1,1,0]=4 4269 B9R1.11 NC[C@H](N)C1=CC=CS1 MCULE-4374533394 [0,2,0,0,0,0|1,1,0]=4 4270 B9R1.11 NC[C@H](O)C1=CC=CS1 MCULE-2109432026 [0,2,0,0,0,0|0,1,0]=3 4271 B9R1.11 NNC(=O)C1=CC=CO1 MCULE-6130017029 [0,2,0,0,0,0|0,0,2]=4 4272 B9R1.11 N[C@@H](CF)C1=CC=CN1 MCULE-1341282287 [0,2,0,0,0,0|2,0,0]=4 4273 B9R1.11 N[C@@H](CF)C1=CC=CN1 MCULE-8492348294 [0,2,0,0,0,0|2,0,0]=4 4274 B9R1.11 N[C@@H](CF)C1=CC=CO1 MCULE-7721110685 [0,2,0,0,0,0|1,0,0]=3 4275 B9R1.11 N[C@@H](CF)C1=CC=CO1 MCULE-8389135733 [0,2,0,0,0,0|1,0,0]=3 4276 B9R1.11 N[C@@H](CF)C1=CC=CS1 MCULE-3543324732 [0,2,0,0,0,0|1,1,0]=4 4277 B9R1.11 N[C@@H](CF)C1=CC=CS1 MCULE-4555930867 [0,2,0,0,0,0|1,1,0]=4 4278 B9R1.11 N[C@@H](CO)C1=CC=CN1 MCULE-4254891194 [0,2,0,0,0,0|1,0,0]=3 4279 B9R1.11 N[C@@H](CO)C1=CC=CN1 MCULE-5205441111 [0,2,0,0,0,0|1,0,0]=3 4280 B9R1.11 N[C@@H](CO)C1=CC=CO1 MCULE-6764436281 [0,2,0,0,0,0|0,0,0]=2 4281 B9R1.11 N[C@@H](CO)C1=CC=CO1 MCULE-9947497995 [0,2,0,0,0,0|0,0,0]=2 4282 B9R1.11 N[C@@H](CO)C1=CC=CS1 MCULE-8497977570 [0,2,0,0,0,0|0,1,0]=3 4283 B9R1.11 N[C@@H](CO)C1=CC=CS1 MCULE-9284174789 [0,2,0,0,0,0|0,1,0]=3 4284 B9R1.11 N[C@@H](CO)C1=COC=C1 MCULE-7563473627 [0,2,0,0,0,0|2,0,0]=4 4285 B9R1.11 N[C@@H](CO)C1=COC=C1 MCULE-9462322912 [0,2,0,0,0,0|2,0,0]=4 4286 B9R1.11 N[C@@H](CO)C1=CSC=C1 MCULE-4859825321 [0,2,0,0,0,0|2,0,0]=4 4287 B9R1.11 N[C@@H](CO)C1=CSC=C1 MCULE-8607934007 [0,2,0,0,0,0|2,0,0]=4 4288 B9R1.11 N[C@@H](CO)C1=NC=CS1 MCULE-2126936320 [0,2,0,0,0,0|1,1,0]=4 4289 B9R1.11 N[C@@H](CO)C1=NC=CS1 MCULE-5009480596 [0,2,0,0,0,0|1,1,0]=4 4290 B9R1.11 N[C@@H](CO)C1=NC=CS1 MCULE-7347996301 [0,2,0,0,0,0|1,1,0]=4 4291 B9R1.11 N[C@@H](CO)C1=NC=CS1 MCULE-7800124054 [0,2,0,0,0,0|1,1,0]=4 4292 B9R1.11 N[C@H](CF)C1=CC=CN1 MCULE-2964936636 [0,2,0,0,0,0|2,0,0]=4 4293 B9R1.11 N[C@H](CF)C1=CC=CN1 MCULE-9308016715 [0,2,0,0,0,0|2,0,0]=4 4294 B9R1.11 N[C@H](CF)C1=CC=CO1 MCULE-1775071158 [0,2,0,0,0,0|1,0,0]=3 4295 B9R1.11 N[C@H](CF)C1=CC=CO1 MCULE-7862924520 [0,2,0,0,0,0|1,0,0]=3 4296 B9R1.11 N[C@H](CF)C1=CC=CS1 MCULE-7521065496 [0,2,0,0,0,0|1,1,0]=4 4297 B9R1.11 N[C@H](CF)C1=CC=CS1 MCULE-9096259257 [0,2,0,0,0,0|1,1,0]=4 4298 B9R1.11 N[C@H](CO)C1=CC=CN1 MCULE-3731213941 [0,2,0,0,0,0|1,0,0]=3 4299 B9R1.11 N[C@H](CO)C1=CC=CN1 MCULE-7131218904 [0,2,0,0,0,0|1,0,0]=3 4300 B9R1.11 N[C@H](CO)C1=CC=CO1 MCULE-3411497399 [0,2,0,0,0,0|0,0,0]=2 4301 B9R1.11 N[C@H](CO)C1=CC=CO1 MCULE-7199825161 [0,2,0,0,0,0|0,0,0]=2 4302 B9R1.11 N[C@H](CO)C1=CC=CO1 MCULE-7944569773 [0,2,0,0,0,0|0,0,0]=2 4303 B9R1.11 N[C@H](CO)C1=CC=CO1 MCULE-9644078126 [0,2,0,0,0,0|0,0,0]=2 4304 B9R1.11 N[C@H](CO)C1=CC=CS1 MCULE-3080285583 [0,2,0,0,0,0|0,1,0]=3 4305 B9R1.11 N[C@H](CO)C1=CC=CS1 MCULE-3333591624 [0,2,0,0,0,0|0,1,0]=3 4306 B9R1.11 N[C@H](CO)C1=COC=C1 MCULE-5024635114 [0,2,0,0,0,0|2,0,0]=4 4307 B9R1.11 N[C@H](CO)C1=COC=C1 MCULE-8468429447 [0,2,0,0,0,0|2,0,0]=4 4308 B9R1.11 N[C@H](CO)C1=CSC=C1 MCULE-5663625733 [0,2,0,0,0,0|2,0,0]=4 4309 B9R1.11 N[C@H](CO)C1=CSC=C1 MCULE-6735058606 [0,2,0,0,0,0|2,0,0]=4 4310 B9R1.11 N[C@H](CO)C1=CSC=N1 MCULE-1151212861 [0,2,0,0,0,0|2,0,0]=4 4311 B9R1.11 N[C@H](CO)C1=CSC=N1 MCULE-6466304221 [0,2,0,0,0,0|2,0,0]=4 4312 B9R1.11 N[C@H](CO)C1=CSC=N1 MCULE-7445655937 [0,2,0,0,0,0|2,0,0]=4 4313 B9R1.11 N[C@H](CO)C1=CSC=N1 MCULE-8107560004 [0,2,0,0,0,0|2,0,0]=4 4314 B9R1.11 N[C@H](CO)C1=NC=CS1 MCULE-3729835795 [0,2,0,0,0,0|1,1,0]=4 4315 B9R1.11 N[C@H](CO)C1=NC=CS1 MCULE-7868626372 [0,2,0,0,0,0|1,1,0]=4 4316 B9R1.11 O=C(CBr)C1=CC=CN1 MCULE-9732729818 [0,2,0,0,0,0|2,0,0]=4 4317 B9R1.11 O=C(CBr)C1=CC=CO1 MCULE-9615587201 [0,2,0,0,0,0|1,0,0]=3 4318 B9R1.11 O=C(CBr)C1=CC=CS1 MCULE-8669272804 [0,2,0,0,0,0|1,1,0]=4 4319 B9R1.11 O=C(CBr)C1=CC=NO1 MCULE-2831148171 [0,2,0,0,0,0|2,0,0]=4 4320 B9R1.11 O=C(CCl)C1=CC=CN1 MCULE-6538013100 [0,2,0,0,0,0|2,0,0]=4 4321 B9R1.11 O=C(CCl)C1=CC=CO1 MCULE-9630536808 [0,2,0,0,0,0|1,0,0]=3 4322 B9R1.11 O=C(CCl)C1=CC=CS1 MCULE-4696336501 [0,2,0,0,0,0|1,1,0]=4 4323 B9R1.11 O=C(CCl)C1=NC=CO1 MCULE-3915987467 [0,2,0,0,0,0|2,0,0]=4 4324 B9R1.11 O=C(CF)C1=CC=CS1 MCULE-1019107883 [0,2,0,0,0,0|1,1,0]=4 4325 B9R1.11 O=C(CO)C1=CC=CO1 MCULE-4777881428 [0,2,0,0,0,0|0,0,0]=2 4326 B9R1.11 O=C(CO)C1=CC=CS1 MCULE-2449722487 [0,2,0,0,0,0|0,1,0]=3 4327 B9R1.11 O=C(NO)C1=CC=CO1 MCULE-2557625376 [0,2,0,0,0,0|0,0,1]=3 4328 B9R1.11 O=CC(=O)C1=CC=CO1 MCULE-7910343219 [0,2,0,0,0,0|0,0,2]=4 4329 B9R1.11 OCC(O)C1=CC=CO1 MCULE-5837347132 [0,2,0,0,0,0|0,0,0]=2 4330 B9R1.11 OCC(O)C1=CC=CS1 MCULE-4730293440 [0,2,0,0,0,0|0,1,0]=3 4331 B9R1.11 OCC(O)C1=CSC=N1 MCULE-8591340334 [0,2,0,0,0,0|2,0,0]=4 4332 B9R1.11 OC[C@@H](O)C1=CC=CO1 MCULE-1653443869 [0,2,0,0,0,0|0,0,0]=2 4333 B9R1.11 OC[C@@H](O)C1=CC=CO1 MCULE-7334780168 [0,2,0,0,0,0|0,0,0]=2 4334 B9R1.11 [NH3+]CC(=O)C1=CC=CS1 MCULE-2439034770 [0,2,0,0,0,0|1,1,0]=4 4335 B9R1.19 CC(C)(C)C1=CC=CN1 MCULE-2233747385 [0,2,0,0,0,0|2,0,0]=4 4336 B9R1.19 CC(C)(C)C1=CC=CO1 MCULE-5231106135 [0,2,0,0,0,0|1,0,0]=3 4337 B9R1.19 CC(C)(C)C1=CC=CS1 MCULE-6629558958 [0,2,0,0,0,0|1,1,0]=4 4338 B9R1.19 CC(C)(C)C1=CC=NO1 MCULE-1241412347 [0,2,0,0,0,0|2,0,0]=4 4339 B9R1.19 CC(C)(C)C1=NC=CO1 MCULE-9808052643 [0,2,0,0,0,0|2,0,0]=4 4340 B9R1.19 CC(C)(N)C1=CC=CO1 MCULE-1171592336 [0,2,0,0,0,0|1,0,0]=3 4341 B9R1.19 CC(C)(N)C1=CC=CO1 MCULE-6768000925 [0,2,0,0,0,0|1,0,0]=3 4342 B9R1.19 CC(C)(N)C1=CC=CS1 MCULE-5477535106 [0,2,0,0,0,0|1,1,0]=4 4343 B9R1.19 CC(C)(N)C1=CC=CS1 MCULE-6837521904 [0,2,0,0,0,0|1,1,0]=4 4344 B9R1.19 CC(C)(O)C1=CC=CS1 MCULE-6138311725 [0,2,0,0,0,0|0,1,0]=3 4345 B9R1.19 CC(C)(O)C1=NC=CN1 MCULE-6441479820 [0,2,0,0,0,0|2,0,0]=4 4346 B9R1.19 CC(C)(O)C1=NC=CS1 MCULE-6817074978 [0,2,0,0,0,0|1,1,0]=4 4347 B9R1.19 CC(C)(O)C1=NNC=C1 MCULE-2878599335 [0,2,0,0,0,0|2,0,0]=4 4348 B9R1.19 C[Si](C)(C)C1=CC=CO1 MCULE-2680323394 [0,2,0,0,0,0|1,1,0]=4 4349 B9R1.19 C[Si](C)(O)C1=CC=CS1 MCULE-7117903068 [0,2,0,0,0,0|0,2,0]=4 4350 B9R1.19 FC(F)(Cl)C1=CC=NO1 MCULE-4819562963 [0,2,0,0,0,0|2,0,0]=4 4351 B9R1.19 FC(F)(F)C1=CC=CO1 MCULE-8756485368 [0,2,0,0,0,0|1,0,0]=3 4352 B9R1.19 FC(F)(F)C1=CC=CS1 MCULE-8707756630 [0,2,0,0,0,0|1,1,0]=4 4353 B9R1.19 FC(F)(F)C1=CC=NO1 MCULE-4954673846 [0,2,0,0,0,0|2,0,0]=4 4354 B9R1.19 FC(F)(F)C1=NC=CO1 MCULE-2173824644 [0,2,0,0,0,0|2,0,0]=4 4355 B9R1.19 F[B-](F)(F)C1=CC=CO1 MCULE-2661372659 [0,2,0,0,0,0|2,0,0]=4 4356 B9R1.19 F[B-](F)(F)C1=CC=CO1 MCULE-9054729143 [0,2,0,0,0,0|2,0,0]=4 4357 B9R1.19 NS(=O)(=O)C1=CC=CO1 MCULE-7665370050 [0,2,0,0,0,0|1,0,1]=4 4358 B9R1.19 O=S(=O)(Cl)C1=CC=CO1 MCULE-1489210560 [0,2,0,0,0,0|1,0,1]=4 4359 B9R1.19 O=S(=O)(O)C1=CC=CS1 MCULE-8542880323 [0,2,0,0,0,0|1,1,0]=4 4360 B9R1.41 CC(=O)C1=C(C=CO1)Br MCULE-6581897760 [0,2,0,0,0,0|0,0,2]=4 4361 B9R1.41 CC(=O)C1=C(C=CO1)C MCULE-2878023192 [0,2,0,0,0,0|0,0,2]=4 4362 B9R1.41 CC(=O)C1=C(C=CO1)O MCULE-3745958914 [0,2,0,0,0,0|0,0,2]=4 4363 B9R1.41 CC(O)C1=C(C=CO1)Br MCULE-5825880784 [0,2,0,0,0,0|0,0,0]=2 4364 B9R1.41 CC(O)C1=CC=NN1C MCULE-8594084712 [0,2,0,0,0,0|2,0,0]=4 4365 B9R1.41 CC(O)C1=NC=CN1C MCULE-7860193016 [0,2,0,0,0,0|2,0,0]=4 4366 B9R1.41 CC(O)C1=NSC=C1Br MCULE-3558740049 [0,2,0,0,0,0|2,0,0]=4 4367 B9R1.41 CC1=C(NC=C1)C(=O)O MCULE-5829407864 [0,2,0,0,0,0|1,0,1]=4 4368 B9R1.41 CC1=C(OC=C1)C(=N)N MCULE-4457836171 [0,2,0,0,0,0|1,0,1]=4 4369 B9R1.41 CC1=C(OC=C1)C(=N)N MCULE-6426104534 [0,2,0,0,0,0|1,0,1]=4 4370 B9R1.41 CC1=C(OC=C1)C(=O)Cl MCULE-3943176921 [0,2,0,0,0,0|0,0,2]=4 4371 B9R1.41 CC1=C(OC=C1)C(=O)N MCULE-5061413981 [0,2,0,0,0,0|0,0,2]=4 4372 B9R1.41 CC1=C(OC=C1)C(=O)O MCULE-5843476566 [0,2,0,0,0,0|0,0,1]=3 4373 B9R1.41 CC1=C(OC=N1)B(O)O MCULE-9209783068 [0,2,0,0,0,0|2,0,0]=4 4374 B9R1.41 CC1=C(OC=N1)C(=O)O MCULE-8655353439 [0,2,0,0,0,0|1,0,1]=4 4375 B9R1.41 CC1=C(ON=C1)C(=O)O MCULE-6322970071 [0,2,0,0,0,0|1,0,1]=4 4376 B9R1.41 CC1=C(SC=C1)B(O)O MCULE-3246141030 [0,2,0,0,0,0|1,1,0]=4 4377 B9R1.41 CC1=C(SC=C1)C(=O)O MCULE-1266721644 [0,2,0,0,0,0|0,1,1]=4 4378 B9R1.41 CC1=C(SC=C1)C(C)O MCULE-1182705130 [0,2,0,0,0,0|0,1,0]=3 4379 B9R1.41 CC1=C(SC=C1)C(F)F MCULE-4394726231 [0,2,0,0,0,0|1,1,0]=4 4380 B9R1.41 CC1=C(SC=C1)[C@@H](C)N MCULE-1689549661 [0,2,0,0,0,0|1,1,0]=4 4381 B9R1.41 CC1=C(SC=C1)[C@@H](C)N MCULE-5293014313 [0,2,0,0,0,0|1,1,0]=4 4382 B9R1.41 CC1=C(SC=C1)[C@H](C)N MCULE-4541491296 [0,2,0,0,0,0|1,1,0]=4 4383 B9R1.41 CC1=C(SC=C1)[C@H](C)N MCULE-9714566255 [0,2,0,0,0,0|1,1,0]=4 4384 B9R1.41 CC1=C(SC=N1)C(C)O MCULE-8930016253 [0,2,0,0,0,0|1,1,0]=4 4385 B9R1.41 CN1C=CC=C1C(=O)O MCULE-8318842554 [0,2,0,0,0,0|1,0,1]=4 4386 B9R1.41 C[C@@H](N)C1=C(C=CS1)Br MCULE-2232903548 [0,2,0,0,0,0|1,1,0]=4 4387 B9R1.41 C[C@@H](N)C1=C(C=CS1)Br MCULE-4079883161 [0,2,0,0,0,0|1,1,0]=4 4388 B9R1.41 C[C@@H](N)C1=C(C=CS1)Cl MCULE-6890001273 [0,2,0,0,0,0|1,1,0]=4 4389 B9R1.41 C[C@@H](N)C1=C(C=CS1)Cl MCULE-6953727529 [0,2,0,0,0,0|1,1,0]=4 4390 B9R1.41 C[C@@H](N)C1=CC=CN1C MCULE-5678951227 [0,2,0,0,0,0|2,0,0]=4 4391 B9R1.41 C[C@@H](N)C1=CC=CN1C MCULE-7405067099 [0,2,0,0,0,0|2,0,0]=4 4392 B9R1.41 C[C@@H](O)C1=CC=NN1C MCULE-2216681430 [0,2,0,0,0,0|2,0,0]=4 4393 B9R1.41 C[C@H](N)C1=C(C=CS1)Br MCULE-5885092100 [0,2,0,0,0,0|1,1,0]=4 4394 B9R1.41 C[C@H](N)C1=C(C=CS1)Br MCULE-7090528346 [0,2,0,0,0,0|1,1,0]=4 4395 B9R1.41 C[C@H](N)C1=C(C=CS1)Cl MCULE-6407730936 [0,2,0,0,0,0|1,1,0]=4 4396 B9R1.41 C[C@H](N)C1=C(C=CS1)Cl MCULE-6869055782 [0,2,0,0,0,0|1,1,0]=4 4397 B9R1.41 C[C@H](N)C1=CC=CN1C MCULE-1315780329 [0,2,0,0,0,0|2,0,0]=4 4398 B9R1.41 C[C@H](N)C1=CC=CN1C MCULE-5516857990 [0,2,0,0,0,0|2,0,0]=4 4399 B9R1.41 C[C@H](O)C1=CC=NN1C MCULE-6951897963 [0,2,0,0,0,0|2,0,0]=4 4400 B9R1.41 FC(F)C1=C(C=CS1)Br MCULE-2818131958 [0,2,0,0,0,0|1,1,0]=4 4401 B9R1.41 NC(=O)C1=C(C=CO1)N MCULE-2152237079 [0,2,0,0,0,0|0,0,2]=4 4402 B9R1.41 NC(=O)C1=C(C=CO1)N MCULE-3065870962 [0,2,0,0,0,0|0,0,2]=4 4403 B9R1.41 NC(=O)C1=C(C=CO1)N MCULE-7114697485 [0,2,0,0,0,0|0,0,2]=4 4404 B9R1.41 NC1=C(OC=C1)C(=O)O MCULE-3882551342 [0,2,0,0,0,0|0,0,1]=3 4405 B9R1.41 NC1=C(SC=C1)C(=O)O MCULE-2518122602 [0,2,0,0,0,0|0,1,1]=4 4406 B9R1.41 NC1=C(SC=C1)C(=O)O MCULE-8970200640 [0,2,0,0,0,0|0,1,1]=4 4407 B9R1.41 O=C(Cl)C1=C(C=CO1)Br MCULE-3662291015 [0,2,0,0,0,0|0,0,2]=4 4408 B9R1.41 O=C(O)C1=C(C=CN1)Br MCULE-5841816451 [0,2,0,0,0,0|1,0,1]=4 4409 B9R1.41 O=C(O)C1=C(C=CN1)F MCULE-8955586724 [0,2,0,0,0,0|1,0,1]=4 4410 B9R1.41 O=C(O)C1=C(C=CO1)Br MCULE-4162393624 [0,2,0,0,0,0|0,0,1]=3 4411 B9R1.41 O=C(O)C1=C(C=CO1)Cl MCULE-6784078961 [0,2,0,0,0,0|0,0,1]=3 4412 B9R1.41 O=C(O)C1=C(C=CO1)F MCULE-4676782360 [0,2,0,0,0,0|0,0,1]=3 4413 B9R1.41 O=C(O)C1=C(C=CS1)Br MCULE-5383143996 [0,2,0,0,0,0|0,1,1]=4 4414 B9R1.41 O=C(O)C1=C(C=CS1)Cl MCULE-5551947952 [0,2,0,0,0,0|0,1,1]=4 4415 B9R1.41 O=C(O)C1=C(C=CS1)F MCULE-1187794527 [0,2,0,0,0,0|0,1,1]=4 4416 B9R1.41 O=C(O)C1=C(C=CS1)I MCULE-8955518770 [0,2,0,0,0,0|0,1,1]=4 4417 B9R1.41 O=C(O)C1=C(C=CS1)O MCULE-5017544087 [0,2,0,0,0,0|0,1,1]=4 4418 B9R1.41 O=C(O)C1=C(C=CS1)S MCULE-5804644923 [0,2,0,0,0,0|0,1,1]=4 4419 B9R1.41 OB(O)C1=C(C=CS1)Br MCULE-1025694648 [0,2,0,0,0,0|1,1,0]=4 4420 B9R1.41 OB(O)C1=C(C=CS1)Cl MCULE-9101528519 [0,2,0,0,0,0|1,1,0]=4 4421 B9R1.12 BrCC#CC1=CC=CS1 MCULE-1157156735 [0,2,0,0,0,0|1,1,0]=4 4422 B9R1.12 BrCCCC1=CC=CO1 MCULE-9152239637 [0,2,0,0,0,0|1,0,0]=3 4423 B9R1.12 BrCCCC1=CC=CS1 MCULE-8473809288 [0,2,0,0,0,0|1,1,0]=4 4424 B9R1.12 BrCCSC1=CC=CS1 MCULE-5365294951 [0,2,0,0,0,0|1,1,0]=4 4425 B9R1.12 C=CC[Pd]C1=CC=CC1 MCULE-1187684417 [0,2,0,0,0,0|2,0,0]=4 4426 B9R1.12 CCCCC1=CC=CO1 MCULE-3071851671 [0,2,0,0,0,0|1,0,0]=3 4427 B9R1.12 CCCCC1=CC=CS1 MCULE-6497067465 [0,2,0,0,0,0|1,1,0]=4 4428 B9R1.12 CCNCC1=CC=CO1 MCULE-7506170762 [0,2,0,0,0,0|1,0,0]=3 4429 B9R1.12 CCNCC1=CC=CO1 MCULE-8195982909 [0,2,0,0,0,0|1,0,0]=3 4430 B9R1.12 CCNCC1=CC=CS1 MCULE-3457295264 [0,2,0,0,0,0|1,1,0]=4 4431 B9R1.12 CCNCC1=CC=CS1 MCULE-7815284555 [0,2,0,0,0,0|1,1,0]=4 4432 B9R1.12 CCOCC1=CC=CO1 MCULE-8494437339 [0,2,0,0,0,0|0,0,0]=2 4433 B9R1.12 CCOCC1=NC=CN1 MCULE-8234323633 [0,2,0,0,0,0|2,0,0]=4 4434 B9R1.12 CNCCC1=CC=CS1 MCULE-3255812275 [0,2,0,0,0,0|1,1,0]=4 4435 B9R1.12 CNCCC1=CC=CS1 MCULE-7158889063 [0,2,0,0,0,0|1,1,0]=4 4436 B9R1.12 COCCN1C=CC=C1 MCULE-7569531571 [0,2,0,0,0,0|2,0,0]=4 4437 B9R1.12 CSSCC1=CC=CO1 MCULE-1102467891 [0,2,0,0,0,0|0,1,0]=3 4438 B9R1.12 ClCC#CC1=CC=CS1 MCULE-1381683883 [0,2,0,0,0,0|1,1,0]=4 4439 B9R1.12 ICCCC1=CC=CS1 MCULE-4415945327 [0,2,0,0,0,0|1,1,0]=4 4440 B9R1.12 N#CC=CC1=CC=CO1 MCULE-4729430851 [0,2,0,0,0,0|1,0,1]=4 4441 B9R1.12 N#CCCC1=CC=CO1 MCULE-5747416792 [0,2,0,0,0,0|1,0,0]=3 4442 B9R1.12 N#CCCC1=CC=CS1 MCULE-6985631481 [0,2,0,0,0,0|1,1,0]=4 4443 B9R1.12 N#N=NCC1=CC=CS1 MCULE-4817966771 [0,2,0,0,0,0|1,1,0]=4 4444 B9R1.12 N#N=NCC1=CC=NO1 MCULE-6884148611 [0,2,0,0,0,0|2,0,0]=4 4445 B9R1.12 NCC=CC1=CC=CS1 MCULE-7407262935 [0,2,0,0,0,0|1,1,0]=4 4446 B9R1.12 NCCCC1=CC=CO1 MCULE-4394623871 [0,2,0,0,0,0|1,0,0]=3 4447 B9R1.12 NCCCC1=CC=CO1 MCULE-5358450816 [0,2,0,0,0,0|1,0,0]=3 4448 B9R1.12 NCCCC1=CC=CO1 MCULE-8968283783 [0,2,0,0,0,0|1,0,0]=3 4449 B9R1.12 NCCCC1=CC=CS1 MCULE-9727379761 [0,2,0,0,0,0|1,1,0]=4 4450 B9R1.12 NCCSC1=CC=CS1 MCULE-7792409877 [0,2,0,0,0,0|1,1,0]=4 4451 B9R1.12 O=C/C=C/C1=CC=CO1 MCULE-8071861971 [0,2,0,0,0,0|0,0,2]=4 4452 B9R1.12 O=C=NCC1=CC=CO1 MCULE-4576932798 [0,2,0,0,0,0|0,0,1]=3 4453 B9R1.12 O=C=NCC1=CC=CS1 MCULE-8982331264 [0,2,0,0,0,0|0,1,1]=4 4454 B9R1.12 O=CC=CC1=CC=CO1 MCULE-1727102658 [0,2,0,0,0,0|0,0,2]=4 4455 B9R1.12 O=CNCC1=CC=CO1 MCULE-1492066833 [0,2,0,0,0,0|0,0,1]=3 4456 B9R1.12 OCC#CC1=CC=CS1 MCULE-1571109511 [0,2,0,0,0,0|0,1,0]=3 4457 B9R1.12 OCC=CC1=CC=CS1 MCULE-7126809926 [0,2,0,0,0,0|0,1,0]=3 4458 B9R1.12 OCCCC1=CC=CO1 MCULE-9519443667 [0,2,0,0,0,0|0,0,0]=2 4459 B9R1.12 OCCCC1=CC=CS1 MCULE-7758662539 [0,2,0,0,0,0|0,1,0]=3 4460 B9R1.12 OCCCC1=CN=CS1 MCULE-9607601938 [0,2,0,0,0,0|1,1,0]=4 4461 B9R1.12 OCCCC1=CNC=N1 MCULE-6446482745 [0,2,0,0,0,0|2,0,0]=4 4462 B9R1.12 OCCCC1=CNC=N1 MCULE-9100702074 [0,2,0,0,0,0|2,0,0]=4 4463 B9R1.12 OCCCC1=COC=C1 MCULE-9870600375 [0,2,0,0,0,0|2,0,0]=4 4464 B9R1.12 OCCCC1=CSC=C1 MCULE-5310936474 [0,2,0,0,0,0|2,0,0]=4 4465 B9R1.12 OCCCC1=CSC=N1 MCULE-9481219170 [0,2,0,0,0,0|2,0,0]=4 4466 B9R1.12 OCCCC1=NC=CN1 MCULE-2467358853 [0,2,0,0,0,0|2,0,0]=4 4467 B9R1.12 OCCCC1=NC=CN1 MCULE-5603111924 [0,2,0,0,0,0|2,0,0]=4 4468 B9R1.12 OCCCN1C=CC=C1 MCULE-1912219277 [0,2,0,0,0,0|2,0,0]=4 4469 B9R1.12 OCCCN1C=CC=N1 MCULE-3560458600 [0,2,0,0,0,0|2,0,0]=4 4470 B9R1.12 OCCNC1=NC=CS1 MCULE-6619759233 [0,2,0,0,0,0|1,1,0]=4 4471 B9R1.12 OCCSC1=CC=CS1 MCULE-7432462864 [0,2,0,0,0,0|0,1,0]=3 4472 B9R1.12 S=C=NCC1=CC=CO1 MCULE-6224898724 [0,2,0,0,0,0|0,1,0]=3 4473 B9R1.12 S=C=NCC1=CC=CS1 MCULE-6227921717 [0,2,0,0,0,0|0,2,0]=4 4474 B9R1.13 BrC(=CC1=CC=CO1)Br MCULE-3343272789 [0,2,0,0,0,0|1,0,1]=4 4475 B9R1.13 C1=NC(=CS1)CC(=O)O MCULE-1238453262 [0,2,0,0,0,0|2,0,0]=4 4476 B9R1.13 C=C(Br)CC1=CC=CS1 MCULE-4173578387 [0,2,0,0,0,0|1,1,0]=4 4477 B9R1.13 C=C(C)CC1=CC=CO1 MCULE-4120425400 [0,2,0,0,0,0|1,0,0]=3 4478 B9R1.13 C=C(C)CC1=CC=CS1 MCULE-7442921300 [0,2,0,0,0,0|1,1,0]=4 4479 B9R1.13 C=C(Cl)CC1=CC=CS1 MCULE-7939948941 [0,2,0,0,0,0|1,1,0]=4 4480 B9R1.13 CC(=O)CC1=CC=CO1 MCULE-3781634843 [0,2,0,0,0,0|0,0,1]=3 4481 B9R1.13 CC(=O)CC1=CC=CS1 MCULE-9004703203 [0,2,0,0,0,0|0,1,1]=4 4482 B9R1.13 CC(=O)CC1=CC=NO1 MCULE-9545444993 [0,2,0,0,0,0|1,0,1]=4 4483 B9R1.13 CC(=O)NC1=CC=CO1 MCULE-6766243633 [0,2,0,0,0,0|0,0,2]=4 4484 B9R1.13 CC(C)CC1=CC=CS1 MCULE-7756712498 [0,2,0,0,0,0|1,1,0]=4 4485 B9R1.13 CC(N)CC1=CC=CN1 MCULE-3993757072 [0,2,0,0,0,0|2,0,0]=4 4486 B9R1.13 CC(N)CC1=CC=CO1 MCULE-3146116219 [0,2,0,0,0,0|1,0,0]=3 4487 B9R1.13 CC(N)CC1=CC=CO1 MCULE-4578762065 [0,2,0,0,0,0|1,0,0]=3 4488 B9R1.13 CC(N)CC1=CC=CS1 MCULE-5917281272 [0,2,0,0,0,0|1,1,0]=4 4489 B9R1.13 CC(N)CC1=CC=CS1 MCULE-9871715308 [0,2,0,0,0,0|1,1,0]=4 4490 B9R1.13 CC(N)CC1=CC=NO1 MCULE-3143826828 [0,2,0,0,0,0|2,0,0]=4 4491 B9R1.13 CC(O)CC1=CC=CO1 MCULE-5714080569 [0,2,0,0,0,0|0,0,0]=2 4492 B9R1.13 CC(O)CC1=CC=NO1 MCULE-9728888169 [0,2,0,0,0,0|1,0,0]=3 4493 B9R1.13 CC(O)CC1=CSC=C1 MCULE-4024706246 [0,2,0,0,0,0|2,0,0]=4 4494 B9R1.13 CC(O)CN1C=CC=N1 MCULE-6657853824 [0,2,0,0,0,0|2,0,0]=4 4495 B9R1.13 CN(C)CC1=CC=CN1 MCULE-2842533777 [0,2,0,0,0,0|2,0,0]=4 4496 B9R1.13 CN(C)CC1=CC=CO1 MCULE-6961476261 [0,2,0,0,0,0|1,0,0]=3 4497 B9R1.13 CN(C)CC1=CC=CS1 MCULE-9244206087 [0,2,0,0,0,0|1,1,0]=4 4498 B9R1.13 C[C@@H](O)CC1=CSC=C1 MCULE-4962026096 [0,2,0,0,0,0|2,0,0]=4 4499 B9R1.13 C[C@H](O)CC1=CSC=C1 MCULE-5232947553 [0,2,0,0,0,0|2,0,0]=4 4500 B9R1.13 N=C(N)CC1=CC=CS1 MCULE-6269778112 [0,2,0,0,0,0|1,1,0]=4 4501 B9R1.13 N=C(N)CC1=CC=CS1 MCULE-7350630491 [0,2,0,0,0,0|1,1,0]=4 4502 B9R1.13 NC(=O)CC1=CC=CS1 MCULE-6510920095 [0,2,0,0,0,0|0,1,1]=4 4503 B9R1.13 NC(=S)CC1=CC=CS1 MCULE-6485403231 [0,2,0,0,0,0|0,2,0]=4 4504 B9R1.13 O=C(Cl)CC1=CC=CO1 MCULE-9542407975 [0,2,0,0,0,0|0,0,1]=3 4505 B9R1.13 O=C(Cl)CC1=CC=CS1 MCULE-3077784578 [0,2,0,0,0,0|0,1,1]=4 4506 B9R1.13 O=C(O)CC1=CC=CN1 MCULE-7285438888 [0,2,0,0,0,0|1,0,0]=3 4507 B9R1.13 O=C(O)CC1=CC=CO1 MCULE-8441709842 [0,2,0,0,0,0|0,0,0]=2 4508 B9R1.13 O=C(O)CC1=CC=CS1 MCULE-7149489344 [0,2,0,0,0,0|0,1,0]=3 4509 B9R1.13 O=C(O)CC1=CC=NN1 MCULE-6168707042 [0,2,0,0,0,0|2,0,0]=4 4510 B9R1.13 O=C(O)CC1=CC=NN1 MCULE-7841552779 [0,2,0,0,0,0|2,0,0]=4 4511 B9R1.13 O=C(O)CC1=CC=NO1 MCULE-1530103657 [0,2,0,0,0,0|1,0,0]=3 4512 B9R1.13 O=C(O)CC1=CC=NS1 MCULE-3265054261 [0,2,0,0,0,0|1,1,0]=4 4513 B9R1.13 O=C(O)CC1=CN=CN1 MCULE-4462983491 [0,2,0,0,0,0|2,0,0]=4 4514 B9R1.13 O=C(O)CC1=CN=CO1 MCULE-6840081660 [0,2,0,0,0,0|1,0,0]=3 4515 B9R1.13 O=C(O)CC1=CN=CS1 MCULE-1649938849 [0,2,0,0,0,0|1,1,0]=4 4516 B9R1.13 O=C(O)CC1=CNC=C1 MCULE-4117122327 [0,2,0,0,0,0|2,0,0]=4 4517 B9R1.13 O=C(O)CC1=CNC=N1 MCULE-7235823721 [0,2,0,0,0,0|2,0,0]=4 4518 B9R1.13 O=C(O)CC1=COC=C1 MCULE-9657437511 [0,2,0,0,0,0|2,0,0]=4 4519 B9R1.13 O=C(O)CC1=COC=N1 MCULE-5978349363 [0,2,0,0,0,0|2,0,0]=4 4520 B9R1.13 O=C(O)CC1=CSC=C1 MCULE-7786560221 [0,2,0,0,0,0|2,0,0]=4 4521 B9R1.13 O=C(O)CC1=CSC=N1 MCULE-1276507774 [0,2,0,0,0,0|2,0,0]=4 4522 B9R1.13 O=C(O)CC1=NC=CN1 MCULE-1533615515 [0,2,0,0,0,0|2,0,0]=4 4523 B9R1.13 O=C(O)CC1=NC=CN1 MCULE-2788600729 [0,2,0,0,0,0|2,0,0]=4 4524 B9R1.13 O=C(O)CC1=NC=CS1 MCULE-7224650776 [0,2,0,0,0,0|1,1,0]=4 4525 B9R1.13 O=C(O)CC1=NN=CO1 MCULE-5332086475 [0,2,0,0,0,0|2,0,0]=4 4526 B9R1.13 O=C(O)CC1=NOC=C1 MCULE-9033104587 [0,2,0,0,0,0|2,0,0]=4 4527 B9R1.13 O=C(O)CN1C=CC=C1 MCULE-2328864169 [0,2,0,0,0,0|2,0,0]=4 4528 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-6841999657 [0,2,0,0,0,0|2,0,0]=4 4529 B9R1.13 O=C(O)CN1C=CC=N1 MCULE-7124185827 [0,2,0,0,0,0|2,0,0]=4 4530 B9R1.13 OC(=S)CC1=CSC=N1 MCULE-1138960144 [0,2,0,0,0,0|2,0,0]=4 4531 B9R1.33 C=CCC1=C(C=CS1)Br MCULE-1191292962 [0,2,0,0,0,0|1,1,0]=4 4532 B9R1.33 C=CCC1=C(C=CS1)C MCULE-2096748714 [0,2,0,0,0,0|1,1,0]=4 4533 B9R1.33 CC1=C(N=CS1)CCO MCULE-4291998937 [0,2,0,0,0,0|2,0,0]=4 4534 B9R1.33 CC1=C(OC=C1)N=C=O MCULE-6915535446 [0,2,0,0,0,0|0,0,2]=4 4535 B9R1.33 CC1=C(OC=N1)CC#N MCULE-5931634294 [0,2,0,0,0,0|2,0,0]=4 4536 B9R1.33 CC1=C(SC=C1)/C=N/O MCULE-8212605733 [0,2,0,0,0,0|0,1,1]=4 4537 B9R1.33 CC1=C(SC=C1)C=NO MCULE-5467608194 [0,2,0,0,0,0|0,1,1]=4 4538 B9R1.33 CC1=C(SC=C1)CCN MCULE-7676957731 [0,2,0,0,0,0|1,1,0]=4 4539 B9R1.33 CC1=C(SC=C1)CCO MCULE-6761828678 [0,2,0,0,0,0|0,1,0]=3 4540 B9R1.33 CC1=C(SC=C1)CCS MCULE-9720620027 [0,2,0,0,0,0|0,2,0]=4 4541 B9R1.33 CC1=C(SC=N1)CCO MCULE-7651382617 [0,2,0,0,0,0|1,1,0]=4 4542 B9R1.33 CC1=CC=CN1CCO MCULE-6284632361 [0,2,0,0,0,0|2,0,0]=4 4543 B9R1.33 CC1=CC=NN1CCO MCULE-1096065667 [0,2,0,0,0,0|2,0,0]=4 4544 B9R1.33 CCOC1=C(C=CS1)N MCULE-7306116118 [0,2,0,0,0,0|1,1,0]=4 4545 B9R1.33 CCOC1=C(N=CO1)C MCULE-2380564679 [0,2,0,0,0,0|2,0,0]=4 4546 B9R1.33 CCSC1=C(C=CS1)C MCULE-4486744841 [0,2,0,0,0,0|1,1,0]=4 4547 B9R1.33 CN1C=CC=C1/C=N/O MCULE-6521349080 [0,2,0,0,0,0|1,0,1]=4 4548 B9R1.33 CN1C=CC=C1C=NO MCULE-3072799043 [0,2,0,0,0,0|1,0,1]=4 4549 B9R1.33 CN1C=CC=C1CC#N MCULE-3453794381 [0,2,0,0,0,0|2,0,0]=4 4550 B9R1.33 CN1C=CC=C1CCN MCULE-2377635902 [0,2,0,0,0,0|2,0,0]=4 4551 B9R1.33 CN1C=CC=C1CCO MCULE-3054175221 [0,2,0,0,0,0|1,0,0]=3 4552 B9R1.33 CN1C=CN=C1CCO MCULE-8771272000 [0,2,0,0,0,0|2,0,0]=4 4553 B9R1.33 CN1C=NC=C1CCO MCULE-2808161256 [0,2,0,0,0,0|2,0,0]=4 4554 B9R1.33 CN1N=CC=C1CCO MCULE-6821067420 [0,2,0,0,0,0|2,0,0]=4 4555 B9R1.33 CNCC1=C(C=CO1)C MCULE-7900778595 [0,2,0,0,0,0|1,0,0]=3 4556 B9R1.33 CNCC1=C(C=CS1)Br MCULE-1838094546 [0,2,0,0,0,0|1,1,0]=4 4557 B9R1.33 CNCC1=C(C=CS1)Br MCULE-9768337533 [0,2,0,0,0,0|1,1,0]=4 4558 B9R1.33 CNCC1=C(C=CS1)C MCULE-2585837513 [0,2,0,0,0,0|1,1,0]=4 4559 B9R1.33 CNCC1=C(C=CS1)C MCULE-7492710395 [0,2,0,0,0,0|1,1,0]=4 4560 B9R1.33 CNCC1=C(N=CO1)C MCULE-2646523928 [0,2,0,0,0,0|2,0,0]=4 4561 B9R1.33 CNCC1=CC=CN1C MCULE-9781046168 [0,2,0,0,0,0|2,0,0]=4 4562 B9R1.33 COCC1=C(C=CS1)Br MCULE-8872187979 [0,2,0,0,0,0|0,1,0]=3 4563 B9R1.33 COCC1=CC=NN1C MCULE-5825522308 [0,2,0,0,0,0|2,0,0]=4 4564 B9R1.33 COCC1=CSC=C1Br MCULE-7998935555 [0,2,0,0,0,0|2,0,0]=4 4565 B9R1.33 N#CCC1=C(C=CS1)Br MCULE-1195686168 [0,2,0,0,0,0|1,1,0]=4 4566 B9R1.33 N#CCC1=C(C=CS1)Cl MCULE-5641718496 [0,2,0,0,0,0|1,1,0]=4 4567 B9R1.33 N(C)CC1=CC=CN1C MCULE-6962332906 [0,2,0,0,0,0|2,0,0]=4 4568 B9R1.33 NC1=CC=NN1CCO MCULE-6873805931 [0,2,0,0,0,0|2,0,0]=4 4569 B9R1.33 NCCC1=C(C=CS1)Br MCULE-1244482518 [0,2,0,0,0,0|1,1,0]=4 4570 B9R1.33 NCCC1=C(C=CS1)F MCULE-2149177994 [0,2,0,0,0,0|1,1,0]=4 4571 B9R1.33 NCCC1=C(C=CS1)F MCULE-6557841881 [0,2,0,0,0,0|1,1,0]=4 4572 B9R1.33 OCCC1=C(C=CS1)Br MCULE-2838253240 [0,2,0,0,0,0|0,1,0]=3 4573 B9R1.33 OCCC1=CSC=C1Br MCULE-9760606050 [0,2,0,0,0,0|2,0,0]=4 4574 B9R1.33 ON=CC1=C(C=CS1)Br MCULE-5822153270 [0,2,0,0,0,0|0,1,1]=4 4575 B9R1.14 BrCC1=C(SC=C1)CBr MCULE-7962898908 [0,2,0,0,0,0|1,1,0]=4 4576 B9R1.14 C=CN1C=CC=C1CO MCULE-5011828416 [0,2,0,0,0,0|1,0,0]=3 4577 B9R1.14 CCC1=C(C=NO1)C=O MCULE-7008907194 [0,2,0,0,0,0|2,0,0]=4 4578 B9R1.14 CCC1=C(SC=C1)CN MCULE-6870628002 [0,2,0,0,0,0|1,1,0]=4 4579 B9R1.14 CCN1C=CC=C1CS MCULE-8369116586 [0,2,0,0,0,0|1,1,0]=4 4580 B9R1.14 CCN1C=CN=C1CO MCULE-3695393720 [0,2,0,0,0,0|2,0,0]=4 4581 B9R1.14 CCN1C=NC=C1CO MCULE-2117952932 [0,2,0,0,0,0|2,0,0]=4 4582 B9R1.14 CCN1C=NC=C1CO MCULE-8555304978 [0,2,0,0,0,0|2,0,0]=4 4583 B9R1.14 CCN1N=CC=C1CO MCULE-3181317210 [0,2,0,0,0,0|2,0,0]=4 4584 B9R1.14 COC1=C(OC=C1)C=O MCULE-5894441548 [0,2,0,0,0,0|0,0,2]=4 4585 B9R1.14 COC1=C(SC=C1)CN MCULE-5256237652 [0,2,0,0,0,0|1,1,0]=4 4586 B9R1.14 COC1=C(SC=C1)CO MCULE-3230949557 [0,2,0,0,0,0|0,1,0]=3 4587 B9R1.14 N#CC1=C(SC=C1)CO MCULE-3279573144 [0,2,0,0,0,0|0,1,0]=3 4588 B9R1.14 NCC1=C(SC=C1)CO MCULE-2522473735 [0,2,0,0,0,0|0,1,0]=3 4589 B9R1.14 O=CC1=COC=C1CO MCULE-2666772903 [0,2,0,0,0,0|2,0,0]=4 4590 B9R1.14 OCC1=C(NC=N1)CO MCULE-3627217873 [0,2,0,0,0,0|2,0,0]=4 4591 B9R1.14 OCC1=C(SC=C1)CO MCULE-2694296246 [0,2,0,0,0,0|0,1,0]=3 4592 B9R1.14 OCC1=C(SC=N1)CO MCULE-4560070066 [0,2,0,0,0,0|1,1,0]=4 4593 B9R1.14 OCC1=C(SC=N1)CO MCULE-7526324335 [0,2,0,0,0,0|1,1,0]=4 4594 B9R1.14 OCC1=COC=C1CO MCULE-8366183068 [0,2,0,0,0,0|2,0,0]=4 4595 B9R1.14 OCC1=CSC=C1CO MCULE-1141422534 [0,2,0,0,0,0|2,0,0]=4 4596 B9R1.27 CC1=C(N(N=C1)C)CO MCULE-8712382559 [0,2,0,0,0,0|2,0,0]=4 4597 B9R1.27 CC1=COC(=C1CO)C MCULE-1567199272 [0,2,0,0,0,0|2,0,0]=4 4598 B9R1.27 CN1C=NC(=C1CO)Br MCULE-2901608453 [0,2,0,0,0,0|2,0,0]=4 4599 B9R1.27 CN1N=CC(=C1CO)Br MCULE-6576973550 [0,2,0,0,0,0|2,0,0]=4 4600 B9R1.27 CN1N=CC(=C1CO)Cl MCULE-4742365046 [0,2,0,0,0,0|2,0,0]=4 4601 B9R1.27 CN1N=CC(=C1CO)F MCULE-9006277350 [0,2,0,0,0,0|2,0,0]=4 4602 B9R1.27 CN1N=CC(=C1CO)I MCULE-3424012169 [0,2,0,0,0,0|2,0,0]=4 4603 B9R1.27 O=C1C=CC(=O)N1CO MCULE-9063303630 [0,2,0,0,0,0|2,0,0]=4 4604 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,0,1,1,0,0|2,0,0]=4 4605 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,0,1,1,0,0|0,0,2]=4 4606 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [0,0,1,1,0,0|0,0,2]=4 4607 B7R1.3 OC1=CC=CC=C1 MCULE-9943948107 [0,0,1,1,0,0|1,0,1]=4 4608 B7R1.3 OC1=CN=CC=C1 MCULE-3642491076 [0,0,1,1,0,0|1,0,1]=4 4609 B7R1.3 OC1=NC=CC=C1 MCULE-2999696825 [0,0,1,1,0,0|2,0,0]=4 4610 B7R1.3 OC1=NC=CC=C1 MCULE-3754843987 [0,0,1,1,0,0|2,0,0]=4 4611 B7R1.3 OC1=NN=CC=C1 MCULE-6627322308 [0,0,1,1,0,0|2,0,0]=4 4612 B7R1.3 OC1C=CCOC1 MCULE-7810293257 [0,0,1,1,0,0|0,0,2]=4 4613 B7R1.24 C1=CC=CCC=C1 MCULE-6950733657 [0,0,1,1,0,0|2,0,0]=4 4614 B7R1.24 C1=CCCCC=C1 MCULE-2850567195 [0,0,1,1,0,0|2,0,0]=4 4615 B9R2.50 C1=CC=C2CCC2=C1 MCULE-6052464038 [0,0,0,1,0,1|2,0,0]=4 4616 B9R2.2 C1=CC(=CS1)C2CO2 MCULE-3495018126 [0,1,0,1,0,0|2,0,0]=4 4617 B9R2.2 C1=CSC(=C1)C2CC2 MCULE-1683669851 [0,1,0,1,0,0|1,1,0]=4 4618 B9R2.2 C1=NOC(=C1)C2CC2 MCULE-9510270056 [0,1,0,1,0,0|2,0,0]=4 4619 B9R2.3 C1=CC2=C(S1)CSC2 MCULE-3668913684 [0,1,0,1,0,0|0,2,0]=4 4620 B9R2.3 C1=NNC2=C1COC2 MCULE-9127933831 [0,1,0,1,0,0|2,0,0]=4 4621 B5R1.3 OCC1CO1 MCULE-2158628585 [0,0,0,0,2,0|0,0,2]=4 4622 B5R1.3 OCC1CO1 MCULE-4063620133 [0,0,0,0,2,0|0,0,2]=4 4623 B5R1.3 OC[C@@H]1CO1 MCULE-4213198809 [0,0,0,0,2,0|0,0,2]=4 4624 B5R1.3 OC[C@@H]1CO1 MCULE-6922911793 [0,0,0,0,2,0|0,0,2]=4 4625 B5R1.3 OC[C@H]1CO1 MCULE-2018407404 [0,0,0,0,2,0|0,0,2]=4 4626 B5R1.3 OC[C@H]1CO1 MCULE-9773081927 [0,0,0,0,2,0|0,0,2]=4