0 B7R1.1 BrCC1=CC=NO1 33595 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.1 BrCC1=CN=CO1 92893 [0,0,0,0,0,0|2,1,0]=3 3 B7R1.1 BrCC1=COC=N1 70925 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 BrCC1=CON=C1 95088 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 BrCC1=CSC=N1 73558 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 BrCC1=NC=CO1 92941 [0,0,0,0,0,0|2,1,0]=3 7 B7R1.1 BrCC1=NC=CS1 73557 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.1 BrCC1=NOC=C1 71749 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 C=CC1=CC=CS1 C10114 [0,0,0,0,0,0|1,0,1]=2 10 B7R1.1 C=CC1=CN=CN1 D82417 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 C=CC1=NNC=C1 P13173 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.1 CCC1=CNN=C1 72604 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 CCC1=NN=CO1 C10407 [0,0,0,0,0,0|3,1,0]=4 14 B7R1.1 CCN1C=NC=N1 29522 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 CNC1=NC=CO1 71780 [0,0,0,0,0,0|3,1,0]=4 16 B7R1.1 CNC1=NC=CS1 26158 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 CNC1=NNC=C1 72540 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 CNC1=NOC=C1 72015 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.1 CNC1=NOC=C1 72539 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.1 COC1=NNC=C1 D79536 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.1 CSC1=CN=CN1 W17049 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 CSC1=NC=CN1 AC1458 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 CSC1=NC=CO1 O10533 [0,0,0,0,0,0|3,1,0]=4 24 B7R1.1 ClCC1=CC=CS1 79790 [0,0,0,0,0,0|1,0,0]=1 25 B7R1.1 ClCC1=CC=NO1 33348 [0,0,0,0,0,0|2,1,0]=3 26 B7R1.1 ClCC1=CN=CO1 RB3366 [0,0,0,0,0,0|2,1,0]=3 27 B7R1.1 ClCC1=COC=N1 D97597 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 ClCC1=NC=CS1 BL005472 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.1 ClCC1=NOC=C1 F13567 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 N#CC1=CC=NO1 F30844 [0,0,0,0,0,0|2,1,1]=4 31 B7R1.1 N#CC1=COC=N1 28409 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.1 N#CC1=NC=CO1 57346 [0,0,0,0,0,0|2,1,1]=4 33 B7R1.1 NCC1=CC=CN1 25931 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.1 NCC1=CC=NO1 33343 [0,0,0,0,0,0|2,1,0]=3 35 B7R1.1 NCC1=CC=NO1 33364 [0,0,0,0,0,0|2,1,0]=3 36 B7R1.1 NCC1=CN=CS1 24148 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.1 NCC1=CNC=C1 F12967 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.1 NCC1=CNC=N1 26566 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 NCC1=CNN=C1 37585 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.1 NCC1=CNN=C1 37586 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.1 NCC1=CNN=N1 20253 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.1 NCC1=CNN=N1 D77245 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.1 NCC1=COC=N1 25090 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.1 NCC1=CON=C1 55763 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.1 NCC1=CSC=N1 24147 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.1 NCC1=CSC=N1 Y14444 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.1 NCC1=NC=CN1 C72548 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.1 NCC1=NN=CO1 S11004 [0,0,0,0,0,0|3,1,0]=4 49 B7R1.1 NCC1=NNC=C1 36190 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.1 NCC1=NNC=N1 AC1019 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.1 NCC1=NOC=C1 W10075 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.1 NCC1=NOC=N1 72520 [0,0,0,0,0,0|4,0,0]=4 53 B7R1.1 NNC1=NC=CS1 C74550 [0,0,0,0,0,0|3,0,0]=3 54 B7R1.1 O=CC1=CC=C[Se]1 T72165 [0,0,0,0,0,0|0,1,2]=3 55 B7R1.1 O=CC1=CC=NS1 62852 [0,0,0,0,0,0|1,0,2]=3 56 B7R1.1 O=CC1=CCC=C1 77835 [0,0,0,0,0,0|1,0,3]=4 57 B7R1.1 O=CC1=CN=CO1 39069 [0,0,0,0,0,0|1,1,2]=4 58 B7R1.1 O=CC1=NOC=C1 P10400 [0,0,0,0,0,0|2,0,2]=4 59 B7R1.1 OCC1=CC=NO1 33580 [0,0,0,0,0,0|1,1,0]=2 60 B7R1.1 OCC1=CC=NS1 53001 [0,0,0,0,0,0|1,0,0]=1 61 B7R1.1 OCC1=CON=C1 73633 [0,0,0,0,0,0|3,0,0]=3 62 B7R1.1 OCC1=CSN=C1 83209 [0,0,0,0,0,0|3,0,0]=3 63 B7R1.1 OCC1=NNC=N1 83468 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.1 OCC1=NNC=N1 F53081 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.1 OCN1C=CN=C1 F11598 [0,0,0,0,0,0|3,0,0]=3 66 B6R1.2 BrC1=NC=CO1 N12756 [1,0,0,0,0,0|2,1,0]=4 67 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,0,0|1,0,0]=2 69 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,0,0|2,0,0]=3 70 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 CC1=CNN=N1 27289 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 CC1=NNN=C1 D94600 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 ClC1=CN=NS1 F18162 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 ClC1=NC=CN1 71370 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 ClC1=NN=CS1 F20631 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 FC1=CC=NN1 P13416 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 FC1=CN=CN1 71921 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 IC1=NC=CO1 38371 [1,0,0,0,0,0|2,1,0]=4 81 B6R1.2 NC1=CC=NO1 AB9529 [1,0,0,0,0,0|2,1,0]=4 82 B6R1.2 NC1=CC=NS1 S11666 [1,0,0,0,0,0|2,0,0]=3 83 B6R1.2 NC1=CN=CS1 52083 [1,0,0,0,0,0|2,0,0]=3 84 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 NC1=CNC=N1 21115 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 NC1=CNC=N1 52247 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 O=C1C=CCN1 AC1277 [1,0,0,0,0,0|1,0,2]=4 89 B6R1.2 OC1=CNN=C1 76131 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 OC1=NC=CS1 25638 [1,0,0,0,0,0|1,0,0]=2 91 B6R1.2 OC1=NC=NN1 D82632 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,0,0|2,0,0]=3 93 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,0,0|0,1,0]=2 94 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,0,0|2,1,0]=4 95 B8R1.1 BrCC1=CN=C(Br)S1 24688 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,1,0,0,0,0|1,0,2]=4 99 B8R1.1 CC1=CC=C(CN)S1 71266 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,1,0,0,0,0|0,0,0]=1 101 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,1,0,0,0,0|1,0,2]=4 102 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,1,0,0,0,0|1,0,2]=4 105 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.1 CC1=CSC(CO)=N1 78422 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CC1=NC(CO)=CN1 22905 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.1 CC1=NC=C(C#N)S1 F13465 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.1 CC1=NC=C(CN)S1 72160 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.1 CC1=NN=C(CN)S1 F30252 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.1 CC1=NN=C(CO)S1 F13044 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.1 CC1=NNC(CO)=C1 71135 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.1 CC1=NNC(CO)=N1 W19133 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,1,0,0,0,0|2,1,0]=4 118 B8R1.1 CC1=NOC(CN)=C1 20228 [0,1,0,0,0,0|2,1,0]=4 119 B8R1.1 CCC1=CC(N)=NO1 71263 [0,1,0,0,0,0|2,1,0]=4 120 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,1,0,0,0,0|2,1,0]=4 121 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,1,0,0,0,0|1,1,0]=3 122 B8R1.1 CCC1=CN=C(N)S1 84403 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.1 CN1C=NC(CN)=C1 38318 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.1 CN1C=NC(CN)=C1 82874 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.1 CN1C=NC(CO)=N1 26175 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.1 CNC1=NC(Br)=CS1 A11743 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 COC1=NC=C(Br)S1 78090 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 N#CC1=CC(Br)=CN1 D73299 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.1 N#CC1=CC(Cl)=CS1 P12196 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.1 N#CC1=CC(N)=CS1 C76356 [0,1,0,0,0,0|1,0,1]=3 134 B8R1.1 N#CC1=CC=C(Br)N1 D82532 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.1 N#CC1=CC=C(Br)O1 C75300 [0,1,0,0,0,0|1,1,1]=4 136 B8R1.1 N#CC1=CC=C(F)S1 37626 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.1 N#CC1=CC=C(I)S1 C73627 [0,1,0,0,0,0|1,0,1]=3 138 B8R1.1 N#CC1=CC=C(N)S1 53143 [0,1,0,0,0,0|1,0,1]=3 139 B8R1.1 N#CC1=NC(Br)=CS1 P10729 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.1 N#CC1=NC(Cl)=CS1 38062 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.1 N#CC1=NC=C(Br)S1 P11608 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.1 NC1=NC(CO)=NN1 52868 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.1 NC1=NN=C(CO)S1 AT18876 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.1 NC1=NNC(CO)=C1 P10905 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.1 NCC1=CC=C(Br)S1 P15264 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.1 NCC1=CN=C(Br)S1 C13963 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.1 NCC1=CN=C(Br)S1 S11077 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.1 NCC1=CSC(Br)=C1 P11133 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.1 NCC1=NC(Br)=CS1 22984 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.1 NCC1=NC(Br)=CS1 68978 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.1 NCC1=NC=C(Br)S1 37716 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [0,1,0,0,0,0|0,0,2]=3 155 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [0,1,0,0,0,0|1,0,2]=4 157 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [0,1,0,0,0,0|1,0,2]=4 158 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,1,0,0,0,0|1,1,0]=3 159 B8R1.1 OCC1=CSC(Cl)=C1 37630 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.1 OCC1=NC=C(Br)S1 37717 [0,1,0,0,0,0|1,0,0]=2 161 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.1 OCC1=NNC(Br)=C1 P17372 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,1,0,0,0,0|1,0,2]=4 164 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,1,0,0,0,0|1,0,2]=4 165 B8R1.7 CC(C)C1=CC=CO1 81450 [0,1,0,0,0,0|1,1,0]=3 166 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,1,0,0,0,0|1,1,0]=3 169 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,1,0,0,0,0|1,1,0]=3 170 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,1,0,0,0,0|1,0,0]=2 172 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,1,0,0,0,0|2,1,0]=4 181 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [0,1,0,0,0,0|1,0,0]=2 187 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.7 FC(F)C1=NNC=C1 AT15834 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.7 N=C(N)C1=CC=CS1 C15965 [0,1,0,0,0,0|1,0,1]=3 192 B8R1.7 NC(=O)C1=CN=CS1 D79735 [0,1,0,0,0,0|1,0,2]=4 193 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,1,0,0,0,0|1,0,2]=4 194 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.7 OB(O)C1=CSC=N1 P19194 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.7 OB(O)C1=NC=CN1 27428 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.7 OB(O)C1=NNC=C1 C72260 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.8 BrCCC1=CSC=C1 F20032 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.8 BrCCN1C=CC=N1 71462 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.8 CCCC1=NNC=C1 C16284 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.8 CCOC1=NNC=C1 AT14799 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.8 CNCC1=CC=NO1 27030 [0,1,0,0,0,0|2,1,0]=4 204 B8R1.8 CNCC1=CNC=N1 AT15460 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.8 CNCC1=COC=C1 AC5678 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.8 CNCC1=NNC=C1 33350 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.8 COCC1=CN=CN1 AC8003 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.8 COCC1=CNN=C1 P18875 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.8 N#CCC1=NC=CS1 38066 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.8 N#CCC1=NNC=C1 29852 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.8 NCCC1=CC=CN1 31556 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.8 NCCC1=CC=CN1 F10331 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.8 NCCC1=CSC=C1 P10092 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.8 NCCC1=NC=CN1 F18351 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.8 NCCC1=NC=CS1 70863 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.8 NCCC1=NN=CS1 38315 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.8 NCCC1=NNC=C1 AC1362 [0,1,0,0,0,0|3,0,0]=4 218 B8R1.8 NCCN1C=CC=N1 28356 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.8 OCCC1=CC=CN1 AB10351 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.8 OCCC1=CC=CO1 W10532 [0,1,0,0,0,0|0,1,0]=2 221 B8R1.8 OCCC1=COC=C1 D93026 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.8 OCCC1=NNC=C1 22974 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.8 OCCN1C=NC=N1 F19895 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.11 CC1=C(CCl)N=CO1 AC3323 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.11 CC1=C(CO)C=CO1 30727 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.11 CC1=C(CO)C=NO1 72237 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.11 CC1=C(CO)N=CO1 AT18595 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.11 CC1=C(CO)N=NS1 73069 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.11 CC1=C(CO)NN=C1 F52703 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.11 CC1=CNN=C1CN P17767 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.11 CC1=CON=C1CN AT25740 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.11 CC1=CSC=C1CO 57803 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.11 CCC1=C(C)N=CS1 60935 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.11 CCC1=NNC=C1Br 98406 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.11 CN1C=CC=C1CN 88916 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.11 CN1C=CC=C1CO D82110 [0,1,0,0,0,0|1,0,0]=2 237 B8R1.11 CN1C=NC=C1CN Y14872 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.11 CN1N=CC=C1CCl 31784 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.11 CN1N=CC=C1CN AC1023 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.11 ClC1=C(CBr)C=CS1 24714 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.11 N#CC1=C(F)C=CS1 D76349 [0,1,0,0,0,0|1,0,1]=3 242 B8R1.11 N#CC1=C(N)C=CS1 50755 [0,1,0,0,0,0|1,0,1]=3 243 B8R1.11 NC1=C(CO)SC=C1 70866 [0,1,0,0,0,0|0,0,0]=1 244 B8R1.11 NCC1=C(Cl)C=CS1 38405 [0,1,0,0,0,0|1,0,0]=2 245 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,0,0,0|1,0,2]=4 246 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [0,1,0,0,0,0|1,0,2]=4 247 B8R1.11 O=CC1=C(Br)N=CS1 88252 [0,1,0,0,0,0|1,0,2]=4 248 B8R1.11 O=CC1=C(Cl)N=CS1 27650 [0,1,0,0,0,0|1,0,2]=4 249 B8R1.11 OCC1=C(Br)N=CS1 26511 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.1 C=CC[C@H](N)CO F16846 [0,0,1,0,0,0|1,0,2]=4 251 B6R0.6 C=CCNCCO W12833 [0,0,1,0,0,0|1,0,2]=4 252 B8R1.2 BrCC1=CN=CN=C1 O11299 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.2 BrCC1=NC=CN=C1 31757 [0,0,0,0,0,1|2,0,0]=3 254 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,0,0,0,0,1|2,0,0]=3 255 B8R1.2 BrCC1=NN=CC=C1 27114 [0,0,0,0,0,1|2,0,0]=3 256 B8R1.2 C#CC1=NC=CN=C1 P11646 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.2 CCC1=NC=NC=C1 F17281 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.2 CNC1=NC=NC=C1 W10133 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.2 COC1=NC=NC=C1 T72699 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.2 ClCC1=NC=CN=C1 37060 [0,0,0,0,0,1|2,0,0]=3 261 B8R1.2 ClCC1=NN=CC=C1 37063 [0,0,0,0,0,1|2,0,0]=3 262 B8R1.2 N#CC1=NC=CC=C1 D77869 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.2 N#CC1=NN=CC=C1 82702 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,0,0,0,0,1|2,0,0]=3 265 B8R1.2 NCC1=CC=CN=N1 36976 [0,0,0,0,0,1|2,0,0]=3 266 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,0,0,0,0,1|2,0,0]=3 267 B8R1.2 NCC1=CC=CN=N1 P15536 [0,0,0,0,0,1|2,0,0]=3 268 B8R1.2 NCC1=CC=NC=C1 35876 [0,0,0,0,0,1|2,0,0]=3 269 B8R1.2 NCC1=CN=CN=C1 26963 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.2 NCC1=CN=NC=C1 27223 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.2 NCC1=CN=NC=C1 36975 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.2 NCC1=NC=CN=C1 67569 [0,0,0,0,0,1|2,0,0]=3 273 B8R1.2 NNC1=CC=CN=C1 S12141 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.2 NNC1=NC=NC=C1 N12626 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.2 O=CC1=NC=NC=C1 26359 [0,0,0,0,0,1|1,0,2]=4 276 B8R1.2 OCC1=CN=NC=C1 37054 [0,0,0,0,0,1|2,0,0]=3 277 B8R1.2 SCC1=CC=NC=C1 F18336 [0,0,0,0,0,1|1,1,0]=3 278 B8R1.2 SCC1=CN=CC=C1 F18343 [0,0,0,0,0,1|1,1,0]=3 279 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,0,0,0,0,1|1,1,0]=3 280 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [0,0,0,0,0,1|3,0,0]=4 281 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,1,0,0,0|1,1,0]=4 282 B5R0.1 O=C(O)\C=C\I W15430 [1,0,1,0,0,0|1,1,0]=4 283 B5R0.3 C=C(C#N)CO W19656 [1,0,1,0,0,0|1,0,1]=4 284 B5R0.3 C=C[C@@H](N)CO 52208 [1,0,1,0,0,0|1,0,1]=4 285 B5R0.3 C=C[C@@H](N)CO 52209 [1,0,1,0,0,0|1,0,1]=4 286 B5R0.3 C=C[C@@H](N)CO 52211 [1,0,1,0,0,0|1,0,1]=4 287 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,1,0,0,0|0,1,1]=4 288 B5R1.1 C1=CCSC1 F20684 [2,0,0,0,0,0|0,0,2]=4 289 B5R1.1 C1=C[Se]C=C1 A12389 [2,0,0,0,0,0|0,1,0]=3 290 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,1,1,0,0,0|1,0,1]=4 291 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,1,0,0,0,0|0,1,1]=4 292 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,1,0,0,0,0|0,1,0]=3 293 B7R1.2 CC1=CN(C)C=N1 11615 [1,1,0,0,0,0|2,0,0]=4 294 B7R1.2 CC1=CN=C(N)O1 80158 [1,1,0,0,0,0|1,1,0]=4 295 B7R1.2 CC1=CN=C(N)S1 C13827 [1,1,0,0,0,0|1,0,0]=3 296 B7R1.2 CC1=CNC(=O)N1 O11257 [1,1,0,0,0,0|2,0,0]=4 297 B7R1.2 CC1=CNC(=O)S1 C90545 [1,1,0,0,0,0|1,0,0]=3 298 B7R1.2 CC1=COC(Br)=N1 S10976 [1,1,0,0,0,0|2,0,0]=4 299 B7R1.2 CC1=COC(S)=N1 W16843 [1,1,0,0,0,0|2,0,0]=4 300 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,1,0,0,0,0|1,0,0]=3 301 B7R1.2 CC1=CSC(C)=C1 O10605 [1,1,0,0,0,0|0,0,0]=2 302 B7R1.2 CC1=CSC(I)=N1 W17362 [1,1,0,0,0,0|2,0,0]=4 303 B7R1.2 CC1=NC(N)=NS1 AT11903 [1,1,0,0,0,0|2,0,0]=4 304 B7R1.2 CC1=NC=C(Br)S1 29668 [1,1,0,0,0,0|1,0,0]=3 305 B7R1.2 CC1=NC=C(N)S1 80222 [1,1,0,0,0,0|1,0,0]=3 306 B7R1.2 CN1C=C(O)C=N1 W16286 [1,1,0,0,0,0|2,0,0]=4 307 B7R1.2 CN1C=CC(N)=C1 O10425 [1,1,0,0,0,0|2,0,0]=4 308 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,1,0,0,0,0|0,1,1]=4 309 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [1,1,0,0,0,0|2,0,0]=4 310 B7R1.2 ClC1=CSC(Br)=N1 I11405 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.2 NC1=CN=C(Br)S1 I11438 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.2 NC1=NC(Cl)=CS1 F13356 [1,1,0,0,0,0|2,0,0]=4 313 B7R1.2 NC1=NC=C(F)S1 39196 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.2 O=C1C=C(O)CO1 F21287 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,1,0,0,0,0|0,1,1]=4 316 B7R1.2 OC1=CC=C(Br)S1 C72253 [1,1,0,0,0,0|0,0,0]=2 317 B7R1.2 OC1=NC(Br)=CS1 C71316 [1,1,0,0,0,0|1,0,0]=3 318 B7R1.2 OC1=NSC(Cl)=C1 O11410 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.4 BrC1=C(I)SC=C1 C75822 [1,1,0,0,0,0|1,0,0]=3 320 B7R1.4 CC1=C(Br)C=NO1 F19689 [1,1,0,0,0,0|1,1,0]=4 321 B7R1.4 CC1=C(C)NC=C1 F20873 [1,1,0,0,0,0|1,0,0]=3 322 B7R1.4 CC1=C(C)NC=N1 SC3541 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.4 CC1=C(Cl)NC=N1 P16604 [1,1,0,0,0,0|2,0,0]=4 324 B7R1.4 CC1=C(N)C=NO1 D82481 [1,1,0,0,0,0|1,1,0]=4 325 B7R1.4 CC1=C(N)N=CN1 31730 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.4 CC1=C(N)SC=N1 P18586 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.4 CC1=CSC=C1N P10841 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.4 CC1=NOC=C1N O11036 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.4 CC1=NSC=C1Br 20343 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.4 CC1=NSC=C1N 75880 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [0,1,0,0,0,1|2,0,0]=4 333 B9R1.1 BrCC1=NC=C(Br)C=N1 C71638 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.1 CC1=CN=C(CCl)N=C1 27405 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [0,1,0,0,0,1|2,0,0]=4 340 B9R1.1 CC1=CN=C(CN)N=C1 38455 [0,1,0,0,0,1|2,0,0]=4 341 B9R1.1 CC1=CN=C(CN)N=C1 72570 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.1 CC1=CN=C(CO)C=N1 26144 [0,1,0,0,0,1|1,0,0]=3 344 B9R1.1 CC1=CN=C(CO)N=C1 38636 [0,1,0,0,0,1|1,0,0]=3 345 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,1,0,0,0,1|1,0,0]=3 348 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [0,1,0,0,0,1|2,0,0]=4 350 B9R1.1 CCC1=CN=C(N)C=N1 27455 [0,1,0,0,0,1|2,0,0]=4 351 B9R1.1 CCC1=CN=C(O)C=C1 25325 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [0,1,0,0,0,1|2,0,0]=4 353 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [0,1,0,0,0,1|2,0,0]=4 355 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.1 CCC1=NC=C(N)C=N1 81903 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [0,1,0,0,0,1|2,0,0]=4 358 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,0,0,1|2,0,0]=4 359 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [0,1,0,0,0,1|2,0,0]=4 360 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [0,1,0,0,0,1|2,0,0]=4 361 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [0,1,0,0,0,1|2,0,0]=4 362 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.1 ClCC1=NC=C(Cl)C=N1 P16603 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.1 ClCC1=NN=C(Cl)C=C1 C72652 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.1 ClCC1=NN=C(Cl)C=C1 P10986 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.1 NCC1=NC=C(Br)C=N1 C73142 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.1 NCC1=NC=C(Br)C=N1 CS1737 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.1 NCC1=NC=C(Br)C=N1 P15263 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.1 NCC1=NC=C(Cl)C=N1 F31001 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.1 NCC1=NC=C(F)C=C1 70856 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.1 NCC1=NC=C(F)C=N1 P11643 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.1 NCC1=NC=C(O)C=C1 24338 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.1 NCC1=NN=C(Cl)C=C1 C76852 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.1 OC1=CN=C(CF)N=C1 72904 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [0,1,0,0,0,1|1,0,0]=3 388 B9R1.1 OCC1=CN=C(Cl)N=C1 BL010346 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.1 OCC1=NC=C(Cl)C=N1 P10956 [0,1,0,0,0,1|1,0,0]=3 390 B9R1.1 OCC1=NC=C(F)C=N1 P11889 [0,1,0,0,0,1|1,0,0]=3 391 B9R1.1 OCC1=NN=C(Cl)C=C1 P11311 [0,1,0,0,0,1|1,0,0]=3 392 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.2 CC1=CC(CCl)=NC=N1 F30459 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.2 CC1=CC(CO)=NC=N1 38642 [0,1,0,0,0,1|1,0,0]=3 397 B9R1.2 CC1=CC(CO)=NN=C1 F30430 [0,1,0,0,0,1|1,0,0]=3 398 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,1,0,0,0,1|1,0,0]=3 405 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 ClCC1=CC=NC(Cl)=N1 P10955 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.2 ClCC1=NC=CC(Cl)=N1 F19722 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 NC1=CC(CO)=CN=C1 20770 [0,1,0,0,0,1|1,0,0]=3 423 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [0,1,0,0,0,1|1,0,0]=3 424 B9R1.2 NC1=CC=CC(CF)=C1 32172 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 NC1=CC=NC(CCl)=N1 Y10182 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.2 NCC1=CC(F)=NC=C1 73765 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 NCC1=CC=CC(=O)N1 78897 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 NCC1=CC=CC(F)=N1 25846 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.2 NCC1=CC=C[N+]([O-])=C1 W12624 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,1,0,0,0,1|1,0,0]=3 444 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [0,1,0,0,0,1|1,0,0]=3 445 B9R1.2 OCC1=CC(Cl)=NC=N1 59934 [0,1,0,0,0,1|1,0,0]=3 446 B9R1.2 OCC1=CC=NC(Cl)=N1 F53087 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [0,1,0,0,0,1|1,0,0]=3 448 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [0,1,0,0,0,1|1,0,0]=3 449 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [0,1,0,0,0,1|1,0,0]=3 450 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,1,0,0,0,1|1,0,0]=3 466 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,1,0,0,0,1|1,0,0]=3 467 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,1,0,0,0,1|1,0,0]=3 468 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,1,0,0,0,1|1,0,0]=3 469 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,1,0,0,0,1|1,0,0]=3 470 B9R1.6 OB(O)C1=NC=NC=C1 29744 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.8 BrCCC1=CC=NC=C1 C71689 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.8 CCNC1=CC=CN=C1 C15578 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.8 CNCC1=CC=NC=C1 AR1712 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.8 CNCC1=NC=CC=N1 W11490 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.8 ClCCC1=CC=NC=C1 O11064 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.8 N#CCC1=NC=CC=N1 37061 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.8 N#CCC1=NC=CN=C1 50051 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.8 NCCC1=NC=CC=N1 P15951 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.8 NCCC1=NC=CN=C1 AR1061 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.8 NCCC1=NC=NC=C1 P18517 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.8 NNCC1=CC=CN=C1 78930 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.8 NNCC1=CC=NC=C1 37009 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.8 NNCC1=CC=NC=C1 BL009189 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.8 NNCC1=NC=CC=C1 78929 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.8 NNCC1=NC=CN=C1 37235 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.8 NOCC1=CN=CC=C1 AC6038 [0,1,0,0,0,1|1,0,0]=3 487 B9R1.8 OCCC1=CN=CN=C1 27368 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.8 OCCC1=NC=CC=N1 C14218 [0,1,0,0,0,1|1,0,0]=3 489 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [0,1,0,0,0,1|1,0,1]=4 490 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.15 CC1=C(CO)C=NC=C1 38669 [0,1,0,0,0,1|1,0,0]=3 496 B9R1.15 CC1=CC=CN=C1CN C72913 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.15 CC1=NC=CC=C1CN 72802 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.15 CC1=NC=CC=C1CN AB7634 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.15 CC1=NC=CN=C1CCl P11784 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 CC1=NC=CN=C1CN E70300 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 CC1=NC=CN=C1CN P19746 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.15 CC1=NC=CN=C1CO P10784 [0,1,0,0,0,1|1,0,0]=3 503 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.15 CCC1=C(O)C=CC=N1 71246 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.15 CCC1=CC=CN=C1Br D80252 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.15 CCC1=CC=CN=C1N 55791 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.15 CCC1=NC=CN=C1N RB3385 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.15 CCC1=NC=CNC1=O S12194 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.15 ClCC1=C(Br)C=NC=C1 32531 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.15 FC1=C(CCl)C=CN=C1 72889 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.15 FC1=CC=CN=C1CBr 38126 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.15 FC1=CC=CN=C1CCl AC1446 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.15 NC1=C(CO)C=NC=C1 28348 [0,1,0,0,0,1|1,0,0]=3 521 B9R1.15 NC1=CC=CN=C1CO H10562 [0,1,0,0,0,1|1,0,0]=3 522 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.15 NCC1=C(F)C=CC=N1 37501 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.15 NCC1=C(F)C=CC=N1 71993 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.15 NCC1=C(F)C=NC=C1 26837 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.15 NCC1=C(F)C=NC=C1 78901 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.15 NCC1=CC=CN=C1Br D82416 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.15 NCC1=CC=CN=C1Cl 51113 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.15 NCC1=CC=CN=C1N 89358 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.15 NCC1=CC=CN=C1O 55767 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.15 NCC1=NC=CC=C1N AC4283 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.15 NCC1=NC=CN=C1N AB3037 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.15 O=C1NC=CC=C1CO P16012 [0,1,0,0,0,1|1,0,0]=3 543 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [0,1,0,0,0,1|1,0,0]=3 545 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [0,1,0,0,0,1|1,0,0]=3 546 B9R1.15 OCC1=NC=CN=C1Cl 80497 [0,1,0,0,0,1|1,0,0]=3 547 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,2,0,0,0,0|0,1,0]=3 549 B9R1.7 COCC1=CC(N)=NN1 P13383 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.7 COCC1=NN=C(N)S1 25112 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.7 N#CCC1=CC=C(Br)S1 C10185 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.7 NC1=CN(CCO)N=C1 50515 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.7 NC1=NNC(CCO)=C1 F52237 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [0,2,0,0,0,0|1,0,0]=3 555 B9R1.7 OCCN1C=C(Br)C=N1 24184 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.7 OCCN1C=C(I)C=N1 53615 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.21 C#CC1=CSC(C=O)=C1 A12932 [0,2,0,0,0,0|0,0,2]=4 558 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.21 CCC1=NOC(CO)=C1 D78962 [0,2,0,0,0,0|1,1,0]=4 560 B9R1.21 CSC1=CC=C(CO)O1 D93647 [0,2,0,0,0,0|0,1,0]=3 561 B9R1.21 N#CC1=CC=C(C#N)S1 A11055 [0,2,0,0,0,0|1,0,1]=4 562 B9R1.21 N#CC1=CC=C(CBr)O1 D94913 [0,2,0,0,0,0|1,1,0]=4 563 B9R1.21 N#CC1=CC=C(CBr)S1 26290 [0,2,0,0,0,0|1,0,0]=3 564 B9R1.21 N#CC1=CC=C(CN)O1 AT17204 [0,2,0,0,0,0|1,1,0]=4 565 B9R1.21 N#CC1=CC=C(CN)S1 AB1094 [0,2,0,0,0,0|1,0,0]=3 566 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,2,0,0,0,0|1,1,0]=4 567 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [0,2,0,0,0,0|1,0,0]=3 568 B9R1.21 O=CC1=CSC(C=O)=C1 O12151 [0,2,0,0,0,0|0,0,2]=4 569 B9R1.21 OCC1=CC(CO)=NN1 F11497 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.22 CC1=CC(N)=C(C#N)S1 50003 [0,2,0,0,0,0|1,0,1]=4 571 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,2,0,0,0,0|2,0,0]=4 576 B9R1.22 CN1C=C(F)C(CO)=N1 97595 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.22 COC1=C(Br)C=C(Br)S1 95246 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.22 N#CC1=C(N)C=C(Br)S1 51970 [0,2,0,0,0,0|1,0,1]=4 579 B9R1.22 OCC1=C(Br)N=C(Br)S1 35934 [0,2,0,0,0,0|1,0,0]=3 580 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,2,0,0,0,0|1,0,0]=3 581 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.23 O=CC1=CC(Br)=C(Br)S1 D77762 [0,2,0,0,0,0|0,0,2]=4 583 B9R1.23 OCC1=NC(Cl)=C(Cl)N1 32128 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.35 CC(C)C1=CN=C(Br)S1 27295 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.35 CC(C)C1=CN=C(N)S1 84416 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.35 C[C@H](N)C1=CC(Br)=CS1 D81119 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,2,0,0,0,0|1,1,0]=4 588 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,2,0,0,0,0|1,1,0]=4 589 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 38491 [0,2,0,0,0,0|2,0,0]=4 590 B9R1.35 FC(F)C1=CC=C(Br)S1 W16588 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.35 FC(F)C1=NC=C(Br)S1 P13794 [0,2,0,0,0,0|2,0,0]=4 592 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,2,0,0,0,0|0,0,2]=4 593 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,2,0,0,0,0|1,0,1]=4 594 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,2,0,0,0,0|0,1,1]=4 595 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,2,0,0,0,0|0,0,1]=3 596 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,2,0,0,0,0|0,0,1]=3 597 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,2,0,0,0,0|1,0,1]=4 598 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,2,0,0,0,0|0,0,1]=3 599 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,2,0,0,0,0|0,0,1]=3 600 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,2,0,0,0,0|1,0,1]=4 601 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,2,0,0,0,0|1,0,1]=4 602 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 W17186 [0,2,0,0,0,0|1,0,1]=4 603 B9R1.35 OB(O)C1=CN=C(Cl)S1 D83610 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.132 CC1=C(CO)N=CN1C 70857 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [0,2,0,0,0,0|0,0,2]=4 606 B9R1.132 CN1C(CO)=CN=C1N 77751 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.132 CN1C(Cl)=CN=C1CO C74718 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.132 O=CC1=C(Br)C(Br)=CS1 C10593 [0,2,0,0,0,0|0,0,2]=4 609 B9R1.11 C#C[C@@H](O)C1=CSC=C1 AC4459 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,2,0,0,0,0|1,1,0]=4 612 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.11 C[C@@H](CO)C1=NC=CN1 A10618 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [0,2,0,0,0,0|0,0,0]=2 615 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [0,2,0,0,0,0|0,0,0]=2 616 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,2,0,0,0,0|1,1,0]=4 617 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,2,0,0,0,0|0,1,0]=3 618 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [0,2,0,0,0,0|0,1,0]=3 619 B9R1.19 CC(C)(C)C1=CC=CS1 AC4668 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.19 CC(C)(O)C1=NC=CN1 W17929 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.19 O=S(=O)(O)C1=CC=CS1 C76553 [0,2,0,0,0,0|1,0,0]=3 622 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,2,0,0,0,0|1,0,1]=4 623 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,2,0,0,0,0|0,1,1]=4 624 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,2,0,0,0,0|1,0,1]=4 625 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [0,2,0,0,0,0|1,0,1]=4 626 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,2,0,0,0,0|1,0,1]=4 627 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,2,0,0,0,0|0,0,1]=3 628 B9R1.41 OB(O)C1=C(Br)C=CS1 70371 [0,2,0,0,0,0|1,0,0]=3 629 B9R1.12 CCNCC1=CC=CO1 C77903 [0,2,0,0,0,0|1,1,0]=4 630 B9R1.12 COCCN1C=CC=C1 W16108 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.12 OCCCC1=CNC=N1 12540 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.12 OCCCC1=CSC=C1 32572 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,2,0,0,0,0|0,0,1]=3 634 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,2,0,0,0,0|1,0,0]=3 636 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,2,0,0,0,0|0,1,0]=3 637 B9R1.13 O=C(O)CC1=CC=NO1 AC1452 [0,2,0,0,0,0|1,1,0]=4 638 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,2,0,0,0,0|1,0,1]=4 639 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [0,2,0,0,0,0|1,0,0]=3 640 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.13 O=C(O)CC1=CNC=N1 C16158 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.13 O=C(O)CC1=NC=CN1 F17266 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.13 O=C(O)CC1=NC=CS1 26228 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.13 O=C(O)CC1=NNC=C1 71426 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.13 O=C(O)CC1=NOC=C1 Y10092 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.33 CC1=C(CCCl)SC=N1 30040 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.33 CC1=C(CCN)SC=N1 W16954 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.33 CC1=C(CCO)N=CS1 C74944 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.33 CC1=C(CCO)SC=N1 D77790 [0,2,0,0,0,0|1,0,0]=3 650 B9R1.33 CN1C=CC=C1CCN 70855 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.33 CN1C=CC=C1CCO F13299 [0,2,0,0,0,0|1,0,0]=3 652 B9R1.33 CN1C=NC=C1CCO AT15579 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.14 OCC1=C(CO)NN=C1 S10004 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.14 OCC1=C(CO)SC=C1 W18906 [0,2,0,0,0,0|0,0,0]=2 655 B9R1.27 CC1=C(CO)N(C)N=C1 F30434 [0,2,0,0,0,0|2,0,0]=4 656 B7R1.3 O=C1C=CCOC1 O10790 [0,0,1,1,0,0|0,1,1]=4 657 B9R2.3 C1=NC2=C(CNC2)S1 50602 [0,1,0,1,0,0|2,0,0]=4 658 B9R2.3 C1=NNC2=C1COC2 P21049 [0,1,0,1,0,0|2,0,0]=4