0 B6R1.2 BrC1=CNN=N1 72040 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 BrC1=NNN=C1 D83972 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 BrC1=NNN=N1 D78685 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 BrC1=NSC=C1 27111 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 C=C1CCNC1 F13598 [0,0,0,0,0,0|1,0,3]=4 5 B6R1.2 CC1=CC=CN1 23756 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 CC1=CNC=C1 59365 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 CC1=CNN=C1 AT22811 [0,0,0,0,0,0|0,0,0]=0 8 B6R1.2 CC1=CNN=N1 27289 [0,0,0,0,0,0|1,0,0]=1 9 B6R1.2 CC1=COC=C1 W18310 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 CC1=NNN=C1 D94600 [0,0,0,0,0,0|1,0,0]=1 11 B6R1.2 CC1=NOC=C1 35767 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 CN1C=NN=C1 74688 [0,0,0,0,0,0|1,0,1]=2 13 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,0,0,0|1,0,3]=4 14 B6R1.2 ClC1=CN=NS1 F18162 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 ClC1=NN=CS1 F20631 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 FC1=CC=NN1 P13416 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 FC1=CN=CN1 71921 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 FC1=CNN=C1 89373 [0,0,0,0,0,0|1,0,0]=1 19 B6R1.2 IC1=COCC1 P19286 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 NC1=CC=NO1 AB9529 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 NC1=CC=NS1 S11666 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 NC1=CN=CS1 52083 [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 NC1=CNC=C1 D82737 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 NC1=CNC=N1 21115 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 NC1=CNC=N1 52247 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 NC1=CON=C1 F14139 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 NC1=CSC=C1 D77326 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 NC1=CSN=C1 83206 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 NC1=CSN=C1 85313 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 NN1C=CN=C1 C76661 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 NN1C=CN=C1 Y10352 [0,0,0,0,0,0|3,0,0]=3 32 B6R1.2 NN1C=CN=N1 D72001 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 NN1C=CN=N1 D72012 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 O=C1C=CCN1 AC1277 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 O=C1CNCN1 25530 [0,0,0,0,0,0|3,0,1]=4 36 B6R1.2 OC1=CNN=C1 76131 [0,0,0,0,0,0|1,0,0]=1 37 B6R1.2 OC1=NC=NN1 D82632 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 OC1=NOC=C1 W15437 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 SC1=CC=CS1 23061 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 SC1=CSC=C1 79297 [0,0,0,0,0,0|3,0,0]=3 41 B5R1.1 C1=CCSC1 F20684 [1,0,0,0,0,0|2,0,1]=4 42 B5R1.1 C1=C[Se]C=C1 A12389 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.1 BrCC1=CC=NO1 33595 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.1 BrCC1=CN=CO1 92893 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 BrCC1=COC=N1 70925 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.1 BrCC1=CON=C1 95088 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.1 BrCC1=CSC=N1 73558 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 BrCC1=NOC=C1 71749 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 C#CC1=CNN=C1 P12226 [0,1,0,0,0,0|0,0,1]=2 51 B7R1.1 C=CC1=CN=CN1 D82417 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 C=CC1=NNC=C1 P13173 [0,1,0,0,0,0|2,0,1]=4 53 B7R1.1 CCC1=CNN=C1 72604 [0,1,0,0,0,0|0,0,0]=1 54 B7R1.1 CCC1=NN=CO1 C10407 [0,1,0,0,0,0|3,0,0]=4 55 B7R1.1 CCN1C=NC=N1 29522 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.1 CNC1=NNC=C1 72540 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 CNC1=NOC=C1 72015 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.1 CNC1=NOC=C1 72539 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 COC1=CCCC1 D93350 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 COC1=CNN=C1 79311 [0,1,0,0,0,0|0,0,0]=1 61 B7R1.1 COC1=NNC=C1 D79536 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.1 CSC1=CN=CN1 W17049 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 CSC1=CNN=C1 W10958 [0,1,0,0,0,0|0,0,0]=1 64 B7R1.1 ClCC1=CC=CS1 79790 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 ClCC1=CC=NO1 33348 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.1 ClCC1=CN=CO1 RB3366 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.1 ClCC1=COC=N1 D97597 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.1 ClCC1=NOC=C1 F13567 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.1 N#CC1=CC=NO1 F30844 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.1 N#CC1=CON=C1 S11668 [0,1,0,0,0,0|1,0,1]=3 71 B7R1.1 N#CC1=CSN=C1 83210 [0,1,0,0,0,0|1,0,1]=3 72 B7R1.1 NCC1=CC=CN1 25931 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.1 NCC1=CC=NO1 33343 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.1 NCC1=CC=NO1 33364 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 NCC1=CN=CS1 24148 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.1 NCC1=CNC=C1 F12967 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.1 NCC1=CNC=N1 26566 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.1 NCC1=CNN=C1 37585 [0,1,0,0,0,0|0,0,0]=1 79 B7R1.1 NCC1=CNN=C1 37586 [0,1,0,0,0,0|0,0,0]=1 80 B7R1.1 NCC1=CNN=N1 20253 [0,1,0,0,0,0|1,0,0]=2 81 B7R1.1 NCC1=CNN=N1 D77245 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.1 NCC1=COC=N1 25090 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.1 NCC1=CON=C1 55763 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.1 NCC1=CSC=N1 24147 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.1 NCC1=CSC=N1 Y14444 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.1 NCC1=NN=CO1 S11004 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.1 NCC1=NN=NN1 31822 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.1 NCC1=NNC=C1 36190 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.1 NCC1=NNC=N1 AC1019 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.1 NCC1=NNN=N1 S10016 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.1 NCC1=NOC=C1 W10075 [0,1,0,0,0,0|3,0,0]=4 92 B7R1.1 O=CC1=CC=NS1 62852 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.1 O=CC1=CCC=C1 77835 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.1 O=CC1=CN=CO1 39069 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.1 O=CC1=CNN=N1 F13257 [0,1,0,0,0,0|1,0,1]=3 96 B7R1.1 O=CC1=CON=C1 95893 [0,1,0,0,0,0|1,0,1]=3 97 B7R1.1 OCC1=CC=NO1 33580 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.1 OCC1=CC=NS1 53001 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.1 OCC1=CON=C1 73633 [0,1,0,0,0,0|1,0,0]=2 100 B7R1.1 OCC1=CSN=C1 83209 [0,1,0,0,0,0|1,0,0]=2 101 B7R1.1 OCC1=NNC=N1 83468 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.1 OCC1=NNC=N1 F53081 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.1 OCN1C=CN=C1 F11598 [0,1,0,0,0,0|2,0,0]=3 104 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.2 CC1=CC=C(Br)O1 C71939 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.2 CC1=CN(C)C=N1 11615 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.2 CC1=CN(C)N=N1 O10352 [0,1,0,0,0,0|1,0,0]=2 108 B7R1.2 CC1=CN=C(N)O1 80158 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.2 CC1=CN=C(N)S1 C13827 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.2 CC1=CNC(=O)N1 O11257 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.2 CC1=CNC(=O)S1 C90545 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.2 CC1=COC(Br)=N1 S10976 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.2 CC1=COC(S)=N1 W16843 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,1,0,0,0,0|2,0,0]=3 115 B7R1.2 CC1=CSC(C)=C1 O10605 [0,1,0,0,0,0|2,0,0]=3 116 B7R1.2 CC1=CSC(I)=N1 W17362 [0,1,0,0,0,0|3,0,0]=4 117 B7R1.2 CC1=NC(=O)NN1 79696 [0,1,0,0,0,0|3,0,0]=4 118 B7R1.2 CC1=NC(N)=NS1 AT11903 [0,1,0,0,0,0|3,0,0]=4 119 B7R1.2 CC1=NC=C(Br)S1 29668 [0,1,0,0,0,0|3,0,0]=4 120 B7R1.2 CC1=NC=C(N)S1 80222 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.2 CC1=NN=C(C)C1 N10051 [0,1,0,0,0,0|2,0,1]=4 122 B7R1.2 CC1=NN=C(N)C1 D88133 [0,1,0,0,0,0|2,0,1]=4 123 B7R1.2 CC1=NN=C(N)O1 71460 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.2 CC1=NN=C(S)O1 F19936 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.2 CN1C=C(N)N=N1 31768 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.2 CN1C=C(N)N=N1 75215 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.2 CN1C=C(O)C=N1 W16286 [0,1,0,0,0,0|1,0,0]=2 128 B7R1.2 CN1C=CC(N)=C1 O10425 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.2 CN1C=N[N+](C)=C1 T70137 [0,1,0,0,0,0|1,0,1]=3 130 B7R1.2 C[N+]1=CN(N)C=N1 32048 [0,1,0,0,0,0|2,0,1]=4 131 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.2 NC1=CC(=O)NO1 D73552 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.2 NC1=CC(N)=NN1 F12619 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.2 NC1=CN=C(Br)S1 I11438 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 NC1=NC=C(F)S1 39196 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.2 NC1=NNC(Cl)=C1 P14071 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.2 NC1=NNC(F)=C1 38194 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.2 OC1=NSC(Cl)=C1 O11410 [0,1,0,0,0,0|3,0,0]=4 139 B7R1.4 BrC1=C(Br)NC=N1 W18398 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.4 BrC1=C(I)SC=C1 C75822 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.4 BrC1=NNC=C1I 39127 [0,1,0,0,0,0|1,0,0]=2 142 B7R1.4 CC1=C(Br)C=NO1 F19689 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.4 CC1=C(C)NC=C1 F20873 [0,1,0,0,0,0|1,0,0]=2 144 B7R1.4 CC1=C(C)NC=N1 SC3541 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.4 CC1=C(Cl)NC=N1 P16604 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.4 CC1=C(N)C=NO1 D82481 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.4 CC1=C(N)N=CN1 31730 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.4 CC1=C(N)ON=C1 C74807 [0,1,0,0,0,0|1,0,0]=2 149 B7R1.4 CC1=C(N)SC=N1 P18586 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.4 CC1=CCOC1=O T72100 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.4 CC1=CNN=C1N 52526 [0,1,0,0,0,0|0,0,0]=1 152 B7R1.4 CC1=CON=C1N 72247 [0,1,0,0,0,0|1,0,0]=2 153 B7R1.4 CC1=CSC=C1N P10841 [0,1,0,0,0,0|2,0,0]=3 154 B7R1.4 CC1=NOC=C1N O11036 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.4 CC1=NON=C1N F14552 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.4 CC1=NSC=C1Br 20343 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.4 CC1=NSC=C1N 75880 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.4 CN1C=CN=C1I 23828 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.4 CN1C=CNC1=O F12570 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.4 CN1C=NC=C1N 27441 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.4 CN1C=NC=C1N FD10512 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.4 CN1C=NN=C1N D94510 [0,1,0,0,0,0|1,0,1]=3 163 B7R1.4 CN1C=NN=C1N O11264 [0,1,0,0,0,0|1,0,1]=3 164 B7R1.4 CN1CCN=C1N W16176 [0,1,0,0,0,0|2,0,1]=4 165 B7R1.4 CN1CCNC1=O 81682 [0,1,0,0,0,0|2,0,1]=4 166 B7R1.4 CN1N=NC=C1Br 98645 [0,1,0,0,0,0|2,0,1]=4 167 B7R1.4 CN1N=NC=C1I 72387 [0,1,0,0,0,0|2,0,1]=4 168 B7R1.4 CN1N=NC=C1N 31834 [0,1,0,0,0,0|2,0,1]=4 169 B7R1.4 FC1=CNN=C1Br P18733 [0,1,0,0,0,0|1,0,0]=2 170 B7R1.4 NC1=CNN=C1Br C72502 [0,1,0,0,0,0|1,0,0]=2 171 B7R1.4 NC1=CNN=C1Cl F14377 [0,1,0,0,0,0|1,0,0]=2 172 B7R1.4 NC1=CSC=C1Br P15392 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.4 NC1=NNC=C1Cl F17330 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.1 C=C(C)CON F31248 [0,0,1,0,0,0|1,0,1]=3 175 B5R0.1 C\C(I)=C/CI AC8880 [0,0,1,0,0,0|3,0,0]=4 176 B5R0.1 C\C(I)=C\CI AC3855 [0,0,1,0,0,0|3,0,0]=4 177 B5R0.3 C=C[C@H](C)ON F31247 [0,0,1,0,0,0|2,0,1]=4 178 B5R1.2 C[C@H]1CCN1 98100 [0,0,0,0,1,0|1,0,2]=4 179 B5R1.2 C[C@H]1CCN1 P21034 [0,0,0,0,1,0|1,0,2]=4 180 B7R1.3 BrC1=CCCNC1 D97153 [0,0,0,0,0,1|2,0,1]=4 181 B7R1.3 BrC1=CN=NC=C1 85151 [0,0,0,0,0,1|1,0,1]=3 182 B7R1.3 BrC1=CN=NN=C1 74040 [0,0,0,0,0,1|1,0,1]=3 183 B7R1.3 BrC1=NC=NC=C1 54642 [0,0,0,0,0,1|2,0,0]=3 184 B7R1.3 BrC1=NC=NC=C1 54644 [0,0,0,0,0,1|2,0,0]=3 185 B7R1.3 CC1=CCNCC1 A11257 [0,0,0,0,0,1|1,0,1]=3 186 B7R1.3 CC1=NC=CN=N1 C74235 [0,0,0,0,0,1|2,0,0]=3 187 B7R1.3 ClC1=CN=CC=C1 P19758 [0,0,0,0,0,1|2,0,0]=3 188 B7R1.3 ClC1=NN=CC=C1 57588 [0,0,0,0,0,1|3,0,0]=4 189 B7R1.3 FC1=CCNCC1 P20375 [0,0,0,0,0,1|2,0,1]=4 190 B7R1.3 NC1=CC=CC=C1 T70935 [0,0,0,0,0,1|3,0,0]=4 191 B7R1.3 NC1=CC=CC=C1 T71037 [0,0,0,0,0,1|3,0,0]=4 192 B7R1.3 O=C1C=CNN=C1 D87946 [0,0,0,0,0,1|1,0,0]=2 193 B7R1.3 SC1=NC=CN=C1 F16108 [0,0,0,0,0,1|2,0,0]=3 194 B7R1.3 [O-][N+]1=CC=NC=C1 O12055 [0,0,0,0,0,1|3,0,0]=4 195 B4R0.1 C=C[C@H](C)N 81150 [1,0,1,0,0,0|1,0,1]=4 196 B4R0.1 C=C[C@H](C)N C77628 [1,0,1,0,0,0|1,0,1]=4 197 B4R0.1 C=C[C@H](C)N N11410 [1,0,1,0,0,0|1,0,1]=4 198 B4R0.1 CC(=N)NN C74999 [1,0,1,0,0,0|1,0,0]=3 199 B4R0.1 C\C=C(\C)Br D93160 [1,0,1,0,0,0|2,0,0]=4 200 B4R0.2 C=CCNN D79874 [1,0,1,0,0,0|0,0,2]=4 201 B4R0.2 C=C\C=C/C T71862 [1,0,1,0,0,0|1,0,0]=3 202 B4R0.2 N\C=C\C=O W10858 [1,0,1,0,0,0|1,0,0]=3 203 B6R1.4 C[C@H]1CNC1=O P20594 [0,1,0,0,1,0|0,0,2]=4 204 B8R1.2 BrCC1=CN=CN=C1 O11299 [0,1,0,0,0,1|0,0,1]=3 205 B8R1.2 BrCC1=NC=CN=C1 31757 [0,1,0,0,0,1|1,0,0]=3 206 B8R1.2 BrCC1=NC=NC=C1 Y10744 [0,1,0,0,0,1|1,0,0]=3 207 B8R1.2 BrCC1=NN=CC=C1 27114 [0,1,0,0,0,1|2,0,0]=4 208 B8R1.2 C#CC1=CN=CN=C1 25642 [0,1,0,0,0,1|0,0,2]=4 209 B8R1.2 C#CC1=NC=CN=C1 P11646 [0,1,0,0,0,1|1,0,1]=4 210 B8R1.2 CCC1=NC=NC=C1 F17281 [0,1,0,0,0,1|1,0,0]=3 211 B8R1.2 CNC1=CN=CN=C1 Y10181 [0,1,0,0,0,1|0,0,1]=3 212 B8R1.2 CNC1=CN=NC=C1 A10648 [0,1,0,0,0,1|0,0,1]=3 213 B8R1.2 CNC1=NC=NC=C1 W10133 [0,1,0,0,0,1|1,0,0]=3 214 B8R1.2 COC1=NC=NC=C1 T72699 [0,1,0,0,0,1|1,0,0]=3 215 B8R1.2 ClCC1=NC=CN=C1 37060 [0,1,0,0,0,1|1,0,0]=3 216 B8R1.2 ClCC1=NN=CC=C1 37063 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.2 N#CC1=CN=NC=C1 37055 [0,1,0,0,0,1|0,0,2]=4 218 B8R1.2 NCC1=CC=CC=C1 RB3068 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.2 NCC1=CC=CN=N1 36976 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.2 NCC1=CC=CN=N1 AT13034 [0,1,0,0,0,1|2,0,0]=4 221 B8R1.2 NCC1=CC=CN=N1 P15536 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.2 NCC1=CC=NC=C1 35876 [0,1,0,0,0,1|1,0,0]=3 223 B8R1.2 NCC1=CN=CN=C1 26963 [0,1,0,0,0,1|0,0,1]=3 224 B8R1.2 NCC1=CN=NC=C1 27223 [0,1,0,0,0,1|0,0,1]=3 225 B8R1.2 NCC1=CN=NC=C1 36975 [0,1,0,0,0,1|0,0,1]=3 226 B8R1.2 NCC1=NC=CN=C1 67569 [0,1,0,0,0,1|1,0,0]=3 227 B8R1.2 NNC1=CC=CN=C1 S12141 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.2 NNC1=CN=CN=C1 AT18412 [0,1,0,0,0,1|1,0,1]=4 229 B8R1.2 NNC1=NC=NC=C1 N12626 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.2 O=CC1=NC=NC=C1 26359 [0,1,0,0,0,1|1,0,1]=4 231 B8R1.2 OCC1=CN=NC=C1 37054 [0,1,0,0,0,1|0,0,1]=3 232 B8R1.2 SCC1=CC=NC=C1 F18336 [0,1,0,0,0,1|1,0,0]=3 233 B8R1.2 SCC1=CN=CC=C1 F18343 [0,1,0,0,0,1|1,0,0]=3 234 B8R1.2 SCC1=NC=CC=C1 Y10072 [0,1,0,0,0,1|2,0,0]=4 235 B8R1.3 BrC1=NC=C(I)C=N1 55463 [0,1,0,0,0,1|1,0,1]=4 236 B8R1.3 CC1=CC=C(C)N=N1 S11370 [0,1,0,0,0,1|2,0,0]=4 237 B8R1.3 CC1=CN=C(Br)C=N1 88781 [0,1,0,0,0,1|1,0,0]=3 238 B8R1.3 CC1=CN=C(F)N=C1 F11686 [0,1,0,0,0,1|0,0,1]=3 239 B8R1.3 CC1=CN=C(I)C=N1 W17940 [0,1,0,0,0,1|1,0,0]=3 240 B8R1.3 CC1=CN=C(N)C=N1 52044 [0,1,0,0,0,1|1,0,0]=3 241 B8R1.3 CC1=CN=C(N)N=C1 51196 [0,1,0,0,0,1|0,0,1]=3 242 B8R1.3 CC1=CN=C(O)C=N1 84954 [0,1,0,0,0,1|1,0,0]=3 243 B8R1.3 CC1=NC=C(F)C=N1 O11437 [0,1,0,0,0,1|1,0,1]=4 244 B8R1.3 CC1=NC=C(I)C=C1 C10582 [0,1,0,0,0,1|2,0,0]=4 245 B8R1.3 CC1=NC=C(O)C=N1 25911 [0,1,0,0,0,1|1,0,1]=4 246 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.3 FC1=NC=C(I)C=N1 O10782 [0,1,0,0,0,1|1,0,1]=4 248 B8R1.3 IC1=CN=C(I)C=N1 I11480 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.3 NC1=CN=C(Br)N=C1 26764 [0,1,0,0,0,1|1,0,1]=4 250 B8R1.3 NC1=CN=C(I)N=C1 P19402 [0,1,0,0,0,1|1,0,1]=4 251 B8R1.3 NC1=CN=C(N)C=N1 C14950 [0,1,0,0,0,1|2,0,0]=4 252 B8R1.3 NC1=CN=C(N)C=N1 F20076 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.3 NC1=NC=C(O)C=N1 24754 [0,1,0,0,0,1|1,0,1]=4 255 B8R1.3 OC1=NC=C(F)C=N1 61070 [0,1,0,0,0,1|1,0,1]=4 256 B8R1.4 BrC1=CC(Br)=NN=C1 26403 [0,1,0,0,0,1|1,0,1]=4 257 B8R1.4 BrC1=NC=CC(I)=N1 81854 [0,1,0,0,0,1|2,0,0]=4 258 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,1,0,0,0,1|1,0,0]=3 259 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,1,0,0,0,1|1,0,0]=3 260 B8R1.4 CC1=CC=CC(I)=N1 S10876 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,1,0,0,0,1|0,0,1]=3 262 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,1,0,0,0,1|2,0,0]=4 263 B8R1.4 CC1=NC=CC(N)=N1 25050 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.4 ClC1=CC(Br)=CN=N1 P15413 [0,1,0,0,0,1|1,0,1]=4 265 B8R1.4 ClC1=CC(I)=CN=C1 C76473 [0,1,0,0,0,1|2,0,0]=4 266 B8R1.4 ClC1=CC(I)=NC=C1 O11208 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [0,1,0,0,0,1|2,0,0]=4 268 B8R1.4 ClC1=NC=CC(I)=N1 F50757 [0,1,0,0,0,1|2,0,0]=4 269 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [0,1,0,0,0,1|2,0,0]=4 270 B8R1.4 IC1=CC(I)=NC=N1 N10410 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.4 IC1=CN=CC(I)=C1 83196 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.4 NC1=CC(Cl)=NN=C1 26681 [0,1,0,0,0,1|1,0,1]=4 273 B8R1.4 NC1=CC(I)=NC=N1 27194 [0,1,0,0,0,1|2,0,0]=4 274 B8R1.4 NC1=CC(N)=NC=C1 25421 [0,1,0,0,0,1|2,0,0]=4 275 B8R1.4 NC1=CC(O)=CN=C1 24928 [0,1,0,0,0,1|2,0,0]=4 276 B8R1.4 NC1=CC(O)=CN=C1 26279 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.4 NC1=CC=NC(F)=N1 90479 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.4 NC1=CN=CC(N)=C1 26714 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.4 NC1=CN=CC(N)=N1 30602 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,1,0,0,0,1|2,0,0]=4 281 B8R1.4 O=C1N=C(Br)C=CN1 D96558 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.4 OC1=CC(F)=NC=C1 26765 [0,1,0,0,0,1|2,0,0]=4 283 B8R1.4 OC1=CC=NC(Cl)=N1 29860 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [0,1,0,0,0,1|2,0,0]=4 285 B8R1.4 OC1=NC(S)=NN=C1 C75942 [0,1,0,0,0,1|1,0,1]=4 286 B8R1.4 OC1=NC=CC(Cl)=N1 78049 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.4 OC1=NC=CC(F)=C1 22624 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [0,1,0,0,0,1|2,0,0]=4 289 B8R1.5 BrC1=C(I)C=NC=C1 C76998 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.5 CC1=C(Cl)C=NC=N1 F17326 [0,1,0,0,0,1|1,0,0]=3 291 B8R1.5 CC1=C(F)C=CN=C1 F19730 [0,1,0,0,0,1|1,0,0]=3 292 B8R1.5 CC1=C(I)C=CC=N1 F19761 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.5 CC1=C(I)C=NC=C1 C74973 [0,1,0,0,0,1|1,0,0]=3 294 B8R1.5 CC1=C(I)C=NC=N1 27820 [0,1,0,0,0,1|1,0,0]=3 295 B8R1.5 CC1=CC=NN=C1Br N13316 [0,1,0,0,0,1|0,0,1]=3 296 B8R1.5 CC1=CC=NN=C1Cl 38744 [0,1,0,0,0,1|0,0,1]=3 297 B8R1.5 CC1=CN=CN=C1Br 27819 [0,1,0,0,0,1|0,0,1]=3 298 B8R1.5 CC1=CN=CN=C1O 25833 [0,1,0,0,0,1|0,0,1]=3 299 B8R1.5 CC1=NC=CN=C1Br 26975 [0,1,0,0,0,1|1,0,0]=3 300 B8R1.5 CC1=NC=NC=C1N 25415 [0,1,0,0,0,1|1,0,0]=3 301 B8R1.5 CC1=NCCN=C1C N13379 [0,1,0,0,0,1|1,0,1]=4 302 B8R1.5 CC1=NNC=NC1=O D79535 [0,1,0,0,0,1|1,0,0]=3 303 B8R1.5 ClC1=CC=CN=C1I 68801 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.5 ClC1=CC=NN=C1Cl 27407 [0,1,0,0,0,1|1,0,1]=4 305 B8R1.5 ClC1=CN=CN=C1Cl 25142 [0,1,0,0,0,1|1,0,1]=4 306 B8R1.5 ClC1=NC=CN=C1Br C71707 [0,1,0,0,0,1|2,0,0]=4 307 B8R1.5 ClC1=NC=CN=C1I AC1564 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.5 FC1=CN=CN=C1Br 77431 [0,1,0,0,0,1|1,0,1]=4 309 B8R1.5 FC1=NC=CN=C1Br W17938 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.5 NC1=C(Br)C=NN=C1 FD10591 [0,1,0,0,0,1|1,0,1]=4 311 B8R1.5 NC1=C(Cl)C=NC=N1 26794 [0,1,0,0,0,1|1,0,1]=4 312 B8R1.5 NC1=C(Cl)C=NN=C1 P11076 [0,1,0,0,0,1|1,0,1]=4 313 B8R1.5 NC1=C(O)C=CN=N1 D83804 [0,1,0,0,0,1|1,0,1]=4 314 B8R1.5 NC1=C(S)C=CN=C1 AT18151 [0,1,0,0,0,1|2,0,0]=4 315 B8R1.5 NC1=CC=CN=C1I RB1070 [0,1,0,0,0,1|2,0,0]=4 316 B8R1.5 NC1=CC=NN=C1Cl 27714 [0,1,0,0,0,1|1,0,1]=4 317 B8R1.5 NC1=CN=CN=C1I C10176 [0,1,0,0,0,1|1,0,1]=4 318 B8R1.5 NC1=CN=CN=C1N 65496 [0,1,0,0,0,1|1,0,1]=4 319 B8R1.5 NC1=CN=NC=C1N F10831 [0,1,0,0,0,1|1,0,1]=4 320 B8R1.5 NC1=NC=CN=C1Br 27472 [0,1,0,0,0,1|2,0,0]=4 321 B8R1.5 NC1=NC=CN=C1I 27241 [0,1,0,0,0,1|2,0,0]=4 322 B8R1.5 O=C1NC=CNC1=O W18441 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.5 O=C1NC=NC=C1O 25860 [0,1,0,0,0,1|1,0,0]=3 324 B8R1.5 O=C1NC=NC=C1O C73082 [0,1,0,0,0,1|1,0,0]=3 325 B8R1.5 OC1=C(Cl)C=NN=C1 F10592 [0,1,0,0,0,1|1,0,1]=4 326 B8R1.5 OC1=C(I)C=CC=N1 CS1389 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.5 OC1=C(I)C=CN=C1 25190 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.5 OC1=C(I)C=NC=N1 25919 [0,1,0,0,0,1|1,0,1]=4 329 B8R1.5 OC1=C(O)C=NC=C1 C14003 [0,1,0,0,0,1|2,0,0]=4 330 B8R1.5 OC1=NC=CN=C1Br A11981 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.5 OC1=NC=CN=C1O C74124 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.5 SC1=C(Br)C=NC=C1 C12894 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.1 BrCC1=CN=C(Br)S1 24688 [0,2,0,0,0,0|2,0,0]=4 334 B8R1.1 C#CC1=CN(C)N=C1 65015 [0,2,0,0,0,0|0,0,1]=3 335 B8R1.1 CC1=CC(C#N)=NN1 25520 [0,2,0,0,0,0|2,0,0]=4 336 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,2,0,0,0,0|2,0,0]=4 338 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,2,0,0,0,0|2,0,0]=4 339 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.1 CC1=CNC(C#N)=N1 O11258 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,2,0,0,0,0|1,0,0]=3 343 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.1 CC1=NC(CO)=CN1 22905 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.1 CC1=NC=C(CN)S1 72160 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,2,0,0,0,0|2,0,0]=4 348 B8R1.1 CC1=NNC(CO)=C1 71135 [0,2,0,0,0,0|2,0,0]=4 349 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,2,0,0,0,0|2,0,0]=4 350 B8R1.1 CC1=NOC(CN)=C1 20228 [0,2,0,0,0,0|2,0,0]=4 351 B8R1.1 CCC1=CC(N)=NO1 71263 [0,2,0,0,0,0|2,0,0]=4 352 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.1 CCC1=CN=C(N)S1 84403 [0,2,0,0,0,0|2,0,0]=4 354 B8R1.1 CCN1C=C(O)C=N1 AT11883 [0,2,0,0,0,0|1,0,0]=3 355 B8R1.1 CN1C=C(CCl)C=N1 71934 [0,2,0,0,0,0|0,0,0]=2 356 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [0,2,0,0,0,0|1,0,1]=4 357 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,2,0,0,0,0|2,0,0]=4 358 B8R1.1 CN1C=NC(C#N)=C1 P10362 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.1 CN1C=NC(CN)=C1 38318 [0,2,0,0,0,0|2,0,0]=4 360 B8R1.1 CN1C=NC(CN)=C1 82874 [0,2,0,0,0,0|2,0,0]=4 361 B8R1.1 CNC1=CN(C)N=C1 S10801 [0,2,0,0,0,0|0,0,0]=2 362 B8R1.1 CNC1=CN(C)N=C1 W19310 [0,2,0,0,0,0|0,0,0]=2 363 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,2,0,0,0,0|2,0,0]=4 364 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,2,0,0,0,0|2,0,0]=4 365 B8R1.1 CSC1=NNC(N)=C1 75644 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.1 N#CC1=CC(Br)=CN1 D73299 [0,2,0,0,0,0|2,0,0]=4 367 B8R1.1 NC1=NNC(CO)=C1 P10905 [0,2,0,0,0,0|2,0,0]=4 368 B8R1.1 NCC1=CN=C(Br)S1 C13963 [0,2,0,0,0,0|2,0,0]=4 369 B8R1.1 NCC1=CN=C(Br)S1 S11077 [0,2,0,0,0,0|2,0,0]=4 370 B8R1.1 NCC1=CSC(Br)=C1 P11133 [0,2,0,0,0,0|2,0,0]=4 371 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [0,2,0,0,0,0|1,0,1]=4 372 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.1 OCC1=CSC(Cl)=C1 37630 [0,2,0,0,0,0|2,0,0]=4 374 B8R1.1 OCC1=NNC(Br)=C1 P17372 [0,2,0,0,0,0|2,0,0]=4 375 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,2,0,0,0,0|2,0,0]=4 376 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,2,0,0,0,0|2,0,0]=4 377 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,2,0,0,0,0|2,0,0]=4 378 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,2,0,0,0,0|2,0,0]=4 379 B8R1.7 CC(=O)C1=CN=NS1 66662 [0,2,0,0,0,0|1,0,1]=4 380 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,2,0,0,0,0|0,0,0]=2 381 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.7 CC(C)C1=CNN=C1 D78878 [0,2,0,0,0,0|0,0,0]=2 383 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,2,0,0,0,0|2,0,0]=4 384 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,2,0,0,0,0|2,0,0]=4 385 B8R1.7 C[C@H](N)C1=CNN=C1 98132 [0,2,0,0,0,0|0,0,0]=2 386 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,2,0,0,0,0|2,0,0]=4 387 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,2,0,0,0,0|2,0,0]=4 388 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,2,0,0,0,0|2,0,0]=4 389 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,2,0,0,0,0|2,0,0]=4 390 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,2,0,0,0,0|2,0,0]=4 391 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [0,2,0,0,0,0|2,0,0]=4 392 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,2,0,0,0,0|2,0,0]=4 393 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,2,0,0,0,0|2,0,0]=4 394 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,2,0,0,0,0|2,0,0]=4 395 B8R1.7 FC(F)C1=NNC=C1 AT15834 [0,2,0,0,0,0|2,0,0]=4 396 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,2,0,0,0,0|1,0,1]=4 397 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,2,0,0,0,0|1,0,1]=4 398 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [0,2,0,0,0,0|2,0,0]=4 399 B8R1.7 O=[N+]([O-])C1=CNN=C1 27362 [0,2,0,0,0,0|1,0,0]=3 400 B8R1.7 O=[N+]([O-])C1=CON=C1 27176 [0,2,0,0,0,0|2,0,0]=4 401 B8R1.7 O=[N+]([O-])C1=CSN=C1 64650 [0,2,0,0,0,0|2,0,0]=4 402 B8R1.7 O=[N+]([O-])C1=NNN=C1 P20596 [0,2,0,0,0,0|2,0,0]=4 403 B8R1.8 BrCCC1=CSC=C1 F20032 [0,2,0,0,0,0|2,0,0]=4 404 B8R1.8 CCCC1=NNC=C1 C16284 [0,2,0,0,0,0|2,0,0]=4 405 B8R1.8 CCOC1=NNC=C1 AT14799 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.8 CNCC1=CC=NO1 27030 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.8 CNCC1=CNC=N1 AT15460 [0,2,0,0,0,0|2,0,0]=4 408 B8R1.8 CNCC1=COC=C1 AC5678 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.8 CNCC1=NNC=C1 33350 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.8 COCC1=CN=CN1 AC8003 [0,2,0,0,0,0|2,0,0]=4 411 B8R1.8 COCC1=CNN=C1 P18875 [0,2,0,0,0,0|0,0,0]=2 412 B8R1.8 ClCCC1=CNN=C1 D95803 [0,2,0,0,0,0|0,0,0]=2 413 B8R1.8 ClCCN1C=CN=C1 70870 [0,2,0,0,0,0|2,0,0]=4 414 B8R1.8 N#CCC1=NNC=C1 29852 [0,2,0,0,0,0|2,0,0]=4 415 B8R1.8 NCCC1=CSC=C1 P10092 [0,2,0,0,0,0|2,0,0]=4 416 B8R1.8 NCCC1=NNC=C1 AC1362 [0,2,0,0,0,0|2,0,0]=4 417 B8R1.8 NCCN1C=CN=C1 30762 [0,2,0,0,0,0|2,0,0]=4 418 B8R1.8 NCCN1C=NN=C1 AC1420 [0,2,0,0,0,0|1,0,1]=4 419 B8R1.8 OCCC1=COC=C1 D93026 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.8 OCCC1=NNC=C1 22974 [0,2,0,0,0,0|2,0,0]=4 421 B8R1.8 OCCN1C=NN=C1 AC6566 [0,2,0,0,0,0|1,0,1]=4 422 B8R1.11 C=CC1=NC=CN1C D84862 [0,2,0,0,0,0|2,0,0]=4 423 B8R1.11 CC1=C(C#N)C=NN1 P12753 [0,2,0,0,0,0|0,0,1]=3 424 B8R1.11 CC1=C(C#N)N=CN1 AC2082 [0,2,0,0,0,0|2,0,0]=4 425 B8R1.11 CC1=C(C=O)N=CS1 F12255 [0,2,0,0,0,0|2,0,0]=4 426 B8R1.11 CC1=C(CCl)N=CO1 AC3323 [0,2,0,0,0,0|2,0,0]=4 427 B8R1.11 CC1=C(CO)C=CO1 30727 [0,2,0,0,0,0|2,0,0]=4 428 B8R1.11 CC1=C(CO)C=NO1 72237 [0,2,0,0,0,0|1,0,0]=3 429 B8R1.11 CC1=C(CO)N=CO1 AT18595 [0,2,0,0,0,0|2,0,0]=4 430 B8R1.11 CC1=C(CO)N=NS1 73069 [0,2,0,0,0,0|1,0,1]=4 431 B8R1.11 CC1=C(CO)NN=C1 F52703 [0,2,0,0,0,0|0,0,0]=2 432 B8R1.11 CC1=CNN=C1CN P17767 [0,2,0,0,0,0|0,0,0]=2 433 B8R1.11 CC1=CON=C1C=O W10337 [0,2,0,0,0,0|1,0,0]=3 434 B8R1.11 CC1=CON=C1CN AT25740 [0,2,0,0,0,0|1,0,0]=3 435 B8R1.11 CC1=CSC=C1C#N D76347 [0,2,0,0,0,0|2,0,0]=4 436 B8R1.11 CC1=CSC=C1C=O P16095 [0,2,0,0,0,0|2,0,0]=4 437 B8R1.11 CC1=CSC=C1CO 57803 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.11 CC1=NOC=C1CN 72854 [0,2,0,0,0,0|1,0,0]=3 439 B8R1.11 CC1=NOC=C1CN N10525 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.11 CC1=NON=C1CN 70844 [0,2,0,0,0,0|2,0,0]=4 441 B8R1.11 CC1=NSC=C1C#N 86911 [0,2,0,0,0,0|1,0,1]=4 442 B8R1.11 CCC1=C(C)N=CS1 60935 [0,2,0,0,0,0|2,0,0]=4 443 B8R1.11 CCC1=CNN=C1C AC8755 [0,2,0,0,0,0|0,0,0]=2 444 B8R1.11 CCC1=NNC=C1Br 98406 [0,2,0,0,0,0|1,0,0]=3 445 B8R1.11 CCN1C=CN=C1Br AT15593 [0,2,0,0,0,0|2,0,0]=4 446 B8R1.11 CN1C=CN=C1C#N 38081 [0,2,0,0,0,0|2,0,0]=4 447 B8R1.11 CN1C=NC=C1CN Y14872 [0,2,0,0,0,0|2,0,0]=4 448 B8R1.11 CN1N=CC=C1CCl 31784 [0,2,0,0,0,0|2,0,0]=4 449 B8R1.11 CN1N=CC=C1CN AC1023 [0,2,0,0,0,0|2,0,0]=4 450 B8R1.11 COC1=NNC=C1I F16206 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.11 COC1=NON=C1N F20171 [0,2,0,0,0,0|2,0,0]=4 452 B8R1.11 ClC1=C(CBr)C=CS1 24714 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.11 N#CC1=C(N)NC=C1 FD7220 [0,2,0,0,0,0|1,0,1]=4 454 B8R1.11 N#CC1=C(N)ON=C1 FD13120 [0,2,0,0,0,0|1,0,1]=4 455 B8R1.11 N#CC1=C(N)SN=C1 80981 [0,2,0,0,0,0|1,0,1]=4 456 B8R1.11 N#CC1=CNN=C1I P13140 [0,2,0,0,0,0|0,0,1]=3 457 B8R1.11 N#CC1=NNC=C1N Y10582 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.11 O=C1CCC=C1CO E70389 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.11 O=CC1=C(Br)C=NN1 F13682 [0,2,0,0,0,0|1,0,0]=3 461 B8R1.11 O=CC1=C(Cl)C=NN1 D86408 [0,2,0,0,0,0|1,0,0]=3 462 B8R1.11 O=CC1=NSC=C1Br AT21087 [0,2,0,0,0,0|2,0,0]=4 463 B8R1.11 OCC1=C(Br)N=CS1 26511 [0,2,0,0,0,0|2,0,0]=4 464 B8R1.18 CC1=C(Br)N=C(Br)S1 31991 [0,2,0,0,0,0|2,0,0]=4 465 B8R1.18 CC1=C(Br)N=C(N)S1 F30514 [0,2,0,0,0,0|2,0,0]=4 466 B8R1.18 CC1=C(C)NC(N)=N1 C72528 [0,2,0,0,0,0|2,0,0]=4 467 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [0,2,0,0,0,0|2,0,0]=4 468 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,2,0,0,0,0|2,0,0]=4 469 B8R1.18 CC1=CC(Cl)=NN1C D72062 [0,2,0,0,0,0|2,0,0]=4 470 B8R1.18 CC1=CN(C)N=C1Br P19396 [0,2,0,0,0,0|0,0,0]=2 471 B8R1.18 CC1=CN(C)N=C1I C72577 [0,2,0,0,0,0|0,0,0]=2 472 B8R1.18 CC1=CN(C)N=C1N 51246 [0,2,0,0,0,0|0,0,0]=2 473 B8R1.18 CC1=CN(C)N=C1N 98162 [0,2,0,0,0,0|0,0,0]=2 474 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.18 CC1=C[C@H](Cl)OC1=O F17135 [0,2,0,0,0,0|2,0,0]=4 476 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.18 CC1=NC(I)=CN1C F51115 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.18 CC1=NN(C)C=C1Cl 57531 [0,2,0,0,0,0|1,0,0]=3 480 B8R1.18 CC1=NN(C)C=C1I C76091 [0,2,0,0,0,0|1,0,0]=3 481 B8R1.18 CC1=NN(C)C=C1O F30460 [0,2,0,0,0,0|1,0,0]=3 482 B8R1.18 CC1=NN(C)N=C1Br O11170 [0,2,0,0,0,0|1,0,0]=3 483 B8R1.18 CN1C=C(Br)C(Br)=N1 P19526 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.18 CN1N=C(I)C(I)=N1 D79442 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [0,2,0,0,0,0|1,0,1]=4 486 B8R1.50 CC1=C(Br)C(Br)=NN1 AC6424 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.50 CC1=C(Br)COC1=O W19136 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.50 CC1=C(Br)N(C)C=N1 72894 [0,2,0,0,0,0|2,0,0]=4 489 B8R1.50 CC1=C(Br)N(C)N=C1 P13239 [0,2,0,0,0,0|0,0,0]=2 490 B8R1.50 CC1=C(C)N(C)C=N1 F18314 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.50 CC1=C(Cl)C(Br)=NN1 D80975 [0,2,0,0,0,0|1,0,0]=3 492 B8R1.50 CC1=C(I)C(I)=NN1 C76114 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.50 CC1=C(I)N(C)N=N1 F20256 [0,2,0,0,0,0|1,0,0]=3 494 B8R1.50 CC1=C(N)N=CN1C 32547 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.50 CC1=CSC(C)=C1N AT16742 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.50 CC1=NN=C(S)N1C W17011 [0,2,0,0,0,0|1,0,1]=4 497 B8R1.50 CC1=NNC(=O)[C@H]1Br W18036 [0,2,0,0,0,0|1,0,1]=4 498 B8R1.50 CC1=NNC(C)=C1N 51248 [0,2,0,0,0,0|1,0,0]=3 499 B8R1.50 CC1=NNC(Cl)=C1N P12022 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.50 CC1=NNC(O)=C1C S10439 [0,2,0,0,0,0|0,0,0]=2 501 B8R1.50 CC1=NOC(C)=C1O AT19674 [0,2,0,0,0,0|2,0,0]=4 502 B8R1.50 CC1=NOC(N)=C1Cl 70875 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.50 CN1C=NC(I)=C1I C15691 [0,2,0,0,0,0|2,0,0]=4 504 B8R1.50 CN1N=CC(Br)=C1Br Y11325 [0,2,0,0,0,0|1,0,0]=3 505 B8R1.50 CN1N=CC(Cl)=C1N C71227 [0,2,0,0,0,0|1,0,0]=3 506 B8R1.50 CN1N=CC(N)=C1N W11478 [0,2,0,0,0,0|1,0,0]=3 507 B6R1.1 C1=CC=NC=C1 T72767 [0,0,1,1,0,0|1,0,1]=4 508 B6R1.1 C1=CN=NC=C1 C75894 [0,0,1,1,0,0|0,0,2]=4 509 B4R1.2 C[C@H]1CN1 68557 [0,0,0,0,2,0|0,0,2]=4