0 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.15 COC(=O)C1=CCCNC1 AC6481 [0,0,0,0,0,0|1,0,3]=4 26 B10R1.15 COC(=O)C1=CCNCC1 31667 [0,0,0,0,0,0|1,0,3]=4 27 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 COC(=O)C1=CNCCC1 P15502 [0,0,0,0,0,0|1,0,3]=4 29 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.15 N=C(NN)C1=NC=CC=C1 I10248 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 NNC(=O)C1=CN=CN=C1 F18165 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,0,0,0,0,0|2,1,0]=3 35 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,0,0,0,0,0|2,0,2]=4 42 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 O12024 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|1,0,2]=4 72 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.16 CCOC(=O)C1=NN=CC=N1 67096 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,1,0,0,0,0|1,0,1]=3 86 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,0,0|1,0,0]=2 110 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 26252 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.22 NNC(=S)C1=CC=C(Cl)C=C1 W10978 [0,1,0,0,0,0|2,1,0]=4 132 B11R1.22 NNC(=S)C1=CC=C(F)C=C1 W10976 [0,1,0,0,0,0|2,1,0]=4 133 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.22 O=C(CCl)C1=NC=C(F)C=C1 AC1560 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 65916 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 A12381 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.23 NNC(=O)C1=CC=CC(=O)N1 C77301 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 F13874 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 F19685 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 80119 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.36 O=C(C1=NC=CC=C1)C(F)F F17975 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.222 COC(=O)C1=CC=NNC1=O P11740 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W19004 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 W10711 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,1,0,0,0,0|2,0,0]=3 246 B11R2.1 BrC1=NSC2=C1C=CC=C2 D84733 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|2,0,0]=3 248 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,1,0,0|2,0,0]=3 249 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,0|2,0,1]=4 251 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,1,0,0|2,0,0]=3 256 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,0,0,1,0,0|1,0,1]=3 258 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,1,0,0|2,0,0]=3 259 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,1,0,0|2,0,0]=3 260 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,1,0,0|3,0,0]=4 261 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,0|2,0,0]=3 263 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,0,0,1,0,0|2,0,0]=3 264 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,0,0,1,0,0|2,0,0]=3 265 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,0,0,1,0,0|2,0,0]=3 266 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,0,0,1,0,0|1,0,2]=4 267 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,0,0,1,0,0|2,0,0]=3 268 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,0,0,1,0,0|3,0,0]=4 269 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.1 O=C1NNC2=C1C=CN=C2 F50508 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,1,0,0|1,0,2]=4 275 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,0,0,1,0,0|2,0,1]=4 276 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [0,0,0,0,1,0|3,0,0]=4 277 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,0,0,0,1,0|2,0,0]=3 278 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,0,0,0,1,0|2,0,0]=3 281 B9R1.11 COC(=O)C1=CCSC1 T71209 [0,0,0,0,1,0|1,0,2]=4 282 B9R1.11 COC(=O)C1=COC=N1 22956 [0,0,0,0,1,0|2,0,0]=3 283 B9R1.11 COC(=O)C1=CSN=N1 W15897 [0,0,0,0,1,0|3,0,0]=4 284 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,0,0,0,1,0|2,0,0]=3 285 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,0,0,0,1,0|3,0,0]=4 286 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,0,0,0,1,0|3,0,0]=4 287 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,0,0,0,1,0|3,0,0]=4 288 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,0,0,0,0,1|2,0,0]=3 289 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,0,0,0,0,1|1,0,0]=2 290 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,0,0,0,0,1|1,0,0]=2 291 B11R1.40 COC(=O)CC1=NC=NC=C1 P11690 [0,0,0,0,0,1|2,0,0]=3 292 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,0,0,0,0,1|2,0,0]=3 293 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,0,0,0,0,1|2,0,0]=3 294 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,0,0,0,0,1|2,0,0]=3 295 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,0,0,0,0,1|3,0,0]=4 296 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,0,0,0,0,1|2,0,0]=3 297 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,0,0,0,0,1|3,0,0]=4 298 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,0,0,0,0,1|2,0,0]=3 299 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,0,0,0,0,1|2,0,0]=3 300 B8R1.2 COC1=NC=NC=C1 T72699 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,1]=4 302 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,1,0,0,0,0|0,0,0]=2 306 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,1,0,0,0,0|0,0,2]=4 318 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [1,1,0,0,0,0|0,0,2]=4 322 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,1,0,0,0,0|0,0,2]=4 336 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,1,0,0,0,0|0,0,2]=4 337 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,1,0,0,0,0|0,0,2]=4 338 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 C15067 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 12268 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [1,1,0,0,0,0|0,0,2]=4 396 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [1,1,0,0,0,0|0,0,2]=4 397 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [1,1,0,0,0,0|0,0,2]=4 398 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [1,1,0,0,0,0|0,0,2]=4 399 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.61 O=C(O)C1=CC=NN=C1Cl P11658 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [1,1,0,0,0,0|0,0,2]=4 434 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [1,1,0,0,0,0|0,0,2]=4 435 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [1,1,0,0,0,0|0,0,2]=4 454 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [1,1,0,0,0,0|0,0,2]=4 455 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [1,1,0,0,0,0|0,0,2]=4 456 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|0,0,1]=3 477 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|0,1,1]=4 478 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|0,1,1]=4 479 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|0,1,1]=4 480 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|0,0,1]=3 483 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|0,1,1]=4 493 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|0,1,1]=4 494 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|0,1,1]=4 495 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [0,1,0,0,1,0|2,0,0]=4 505 B10R1.14 COC(=O)C1=CC(=O)CC1 24403 [0,1,0,0,1,0|0,0,2]=4 506 B10R1.14 COC(=O)C1=CC(Br)=NO1 69278 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.14 COC(=O)C1=CC(C)=NO1 W10289 [0,1,0,0,1,0|2,0,0]=4 509 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,1,0,0,1,0|1,0,0]=3 510 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,1,0,0,1,0|1,0,0]=3 511 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,1,0,0,1,0|1,0,0]=3 512 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,1,0,0,1,0|1,0,0]=3 513 B10R1.14 COC(=O)C1=CC(O)=NN1 F30450 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,1,0,0,1,0|1,0,0]=3 515 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,1,0,0,1,0|1,0,0]=3 516 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,1,0,0,1,0|1,0,0]=3 517 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,1,0,0,1,0|1,0,0]=3 518 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,0,1,0|1,0,0]=3 519 B10R1.14 COC(=O)C1=CN(C)N=C1 F17310 [0,1,0,0,1,0|2,0,0]=4 520 B10R1.14 COC(=O)C1=CN=C(Br)O1 26636 [0,1,0,0,1,0|2,0,0]=4 521 B10R1.14 COC(=O)C1=CN=C(Cl)O1 24825 [0,1,0,0,1,0|2,0,0]=4 522 B10R1.14 COC(=O)C1=CN=C(N)O1 C77206 [0,1,0,0,1,0|2,0,0]=4 523 B10R1.14 COC(=O)C1=CNC(=O)N1 32398 [0,1,0,0,1,0|2,0,0]=4 524 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,1,0,0,1,0|1,0,0]=3 525 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [0,1,0,0,1,0|2,0,0]=4 526 B10R1.14 COC(=O)C1=COC(Br)=N1 24396 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,0,1,0|1,0,0]=3 528 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,1,0,0,1,0|1,0,0]=3 529 B10R1.14 COC(=O)C1=NC=C(Br)S1 P11750 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.14 COC(=O)C1=NC=C(C)S1 25239 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.14 COC(=O)C1=NC=C(N)N1 D80282 [0,1,0,0,1,0|2,0,0]=4 532 B10R1.14 COC(=O)C1=NNC(Cl)=C1 P15511 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.14 COC(=O)C1=NNC(N)=C1 69262 [0,1,0,0,1,0|2,0,0]=4 534 B10R1.14 COC(=O)C1=NNC(O)=C1 64189 [0,1,0,0,1,0|2,0,0]=4 535 B10R1.14 COC(=O)C1=NOC(N)=C1 88479 [0,1,0,0,1,0|2,0,0]=4 536 B10R1.14 COC(=O)C1=NSC(N)=C1 D97206 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.23 CC(C)C(=O)C1=CC=CO1 N14289 [0,1,0,0,1,0|2,0,0]=4 538 B10R1.149 COC(=O)C1=C(Br)NC=N1 A11887 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.149 COC(=O)C1=C(C)C=CN1 38966 [0,1,0,0,1,0|1,0,0]=3 540 B10R1.149 COC(=O)C1=C(Cl)SC=N1 W17606 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.149 COC(=O)C1=C(N)C=NN1 P10863 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.149 COC(=O)C1=C(N)N=CS1 27542 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.149 COC(=O)C1=C(N)SC=N1 F13785 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.149 COC(=O)C1=C(O)C=CN1 C10734 [0,1,0,0,1,0|1,0,0]=3 545 B10R1.149 COC(=O)C1=CC=CN1N O11841 [0,1,0,0,1,0|1,0,0]=3 546 B10R1.149 COC(=O)C1=CN=CN1N D79019 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.149 COC(=O)C1=CNN=C1C 25283 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.149 COC(=O)C1=CSC=C1Br 27641 [0,1,0,0,1,0|1,0,0]=3 549 B10R1.149 COC(=O)C1=CSC=C1N P17958 [0,1,0,0,1,0|1,0,0]=3 550 B10R1.149 COC(=O)C1=NNC=C1I Y10747 [0,1,0,0,1,0|2,0,0]=4 551 B10R1.149 COC(=O)C1=NNC=C1N 37584 [0,1,0,0,1,0|2,0,0]=4 552 B10R1.149 COC(=O)C1=NSC=C1I AT21163 [0,1,0,0,1,0|2,0,0]=4 553 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [0,1,0,0,0,1|2,0,0]=4 554 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [0,1,0,0,0,1|1,0,0]=3 555 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [0,1,0,0,0,1|1,0,0]=3 556 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,1,0,0,0,1|0,0,0]=2 557 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,1,0,0,0,1|1,0,1]=4 558 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,1,0,0,0,1|1,0,1]=4 559 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [0,1,0,0,0,1|1,0,0]=3 560 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,1,0,0,0,1|1,0,0]=3 561 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,1,0,0,0,1|1,0,0]=3 562 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,1,0,0,0,1|0,0,0]=2 563 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,1,0,0,0,1|0,0,0]=2 564 B12R1.34 COC(=O)[C@H](N)C1=CC=NC=C1 31581 [0,1,0,0,0,1|1,0,0]=3 565 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,1,0,0,0,1|1,0,0]=3 566 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,1,0,0,0,1|1,0,0]=3 567 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.49 C=CC(=O)NC1=CC=C(N)C=C1 A10042 [0,1,0,0,0,1|1,0,1]=4 569 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,1,0,0,0,1|1,0,0]=3 571 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,1,0,0,0,1|1,0,0]=3 572 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,1,0,0,0,1|1,0,0]=3 573 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,1,0,0,0,1|1,0,0]=3 574 B12R1.49 CNC(=S)NC1=CC=C(Br)C=C1 F19872 [0,1,0,0,0,1|1,1,0]=4 575 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 AB22708 [0,1,0,0,0,1|1,0,0]=3 576 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 74980 [0,1,0,0,0,1|1,0,0]=3 577 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 P11352 [0,1,0,0,0,1|1,0,0]=3 578 B12R1.49 COC(=O)CC1=NC=C(F)C=N1 C72405 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F20087 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.49 O=C(CCl)NC1=CC=C(O)C=C1 69837 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.50 C=CC(=O)NC1=CC(O)=CC=C1 P18258 [0,1,0,0,0,1|1,0,1]=4 582 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,1,0,0,0,1|1,0,0]=3 583 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,1,0,0,0,1|1,0,0]=3 584 B12R1.50 COC(=O)CC1=CC(Br)=CN=C1 69168 [0,1,0,0,0,1|1,0,0]=3 585 B12R1.50 COC(=O)CC1=CC(Br)=NC=C1 AC2372 [0,1,0,0,0,1|1,0,0]=3 586 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 C73088 [0,1,0,0,0,1|1,0,0]=3 587 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 P15504 [0,1,0,0,0,1|1,0,0]=3 588 B12R1.50 COC(=O)CC1=NC=CC(Br)=C1 57353 [0,1,0,0,0,1|1,0,0]=3 589 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 74407 [0,1,0,0,0,1|0,0,0]=2 590 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 D84555 [0,1,0,0,0,1|2,0,0]=4 591 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,1,0,0,0,1|2,0,0]=4 592 B12R1.371 C=CC(=O)NC1=C(I)C=CC=C1 AR2315 [0,1,0,0,0,1|1,0,1]=4 593 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,1,0,0,0,1|1,0,0]=3 594 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 D93364 [0,1,0,0,0,1|1,0,0]=3 595 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [0,1,0,0,0,1|1,0,0]=3 596 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 D72052 [0,1,0,0,0,1|1,0,0]=3 597 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,1,0,0,0,1|0,0,0]=2 598 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,1,0,0,0,1|0,0,0]=2 599 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,1,0,0,0,1|0,0,0]=2 600 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 12221 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [0,1,0,0,0,1|2,0,0]=4 602 B12R1.9 CC[S@](=N)(=O)C1=CC=C(Br)C=C1 W10956 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.9 CNS(=O)(=O)C1=CC=C(Cl)C=C1 S12303 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 D72514 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.9 COS(=O)(=O)C1=CC=C(Cl)C=C1 D93386 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.195 CCS(=O)(=O)C1=C(N)C=CC=C1 D84300 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.195 CNS(=O)(=O)C1=C(N)C=CC=C1 25006 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.195 COS(=O)(=O)C1=C(I)C=CC=C1 P17004 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 35104 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86305 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 N14275 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.16 CCOC(=O)C1=CC=[N+]([O-])C=C1 AB21610 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=N1 RB3338 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.16 CCOC(=O)C1=CN=C(F)C=C1 88966 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 C72155 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.16 CCOC(=O)C1=NC=C(F)C=N1 P17719 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 D86980 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 26720 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.16 CCOC(=O)C1=NN=C(S)C=C1 D80571 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 D81217 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 C72931 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.17 CCOC(=O)C1=CC(=O)NC=C1 72628 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 S12346 [0,2,0,0,0,0|0,0,0]=2 628 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 90616 [0,2,0,0,0,0|1,0,0]=3 629 B12R1.17 CCOC(=O)C1=CC(F)=NC=C1 91499 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.17 CCOC(=O)C1=CC=NC(Br)=N1 C71724 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 90138 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.17 CCOC(=O)C1=NC(C)=CC=C1 D84508 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 F11923 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.17 CCOC(=O)C1=NC=CC(F)=C1 AB10269 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.30 C#CCNC(=O)C1=CN=CC=C1 W16031 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [0,2,0,0,0,0|0,0,0]=2 637 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.30 O=C(NCCBr)C1=NC=CC=C1 W10393 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [0,2,0,0,0,0|1,0,1]=4 642 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 O12077 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.308 CCOC(=O)C1=C(Br)C=NC=N1 67175 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 72062 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 P12076 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 29844 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 P11140 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 W18461 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 A12134 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.308 CCOC(=O)C1=C(N)N=NC=C1 31637 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 BL009831 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.308 CCOC(=O)C1=CC=CN=C1Br 24958 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl 84692 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.308 CCOC(=O)C1=NC=CC=C1C 30595 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl I10105 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.308 CCOC(=O)C1=NC=CN=C1N 89343 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.308 CONC(=O)C1=C(N)C=CC=C1 W13132 [0,2,0,0,0,0|0,0,0]=2 659 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 AC8189 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 F19828 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 W16149 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.5 CCC1=NC=C(C(=O)OC)C=N1 60093 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 C74747 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.5 CNC1=NN=C(C(=O)OC)C=C1 AC2454 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 AB9723 [0,2,0,0,0,0|0,0,0]=2 667 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 87748 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.5 COC(=O)C1=CN=C(C#N)N=C1 P14141 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 57139 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.5 COC(=O)C1=CN=C(CBr)C=N1 26698 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 94419 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 FD7395 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 68601 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.5 COC(=O)C1=NC=C(C=O)N=C1 30635 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.5 COC(=O)C1=NC=C(CN)N=C1 57143 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 90186 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 P11291 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.5 COC(=O)C1=NC=C(OC)C=N1 F52806 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 RB3230 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.5 COC(=O)C1=NN=C(C#N)C=C1 37925 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.5 COC(=O)C1=NN=C(CBr)C=C1 57145 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 P12130 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 Y11290 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.5 N#CC1=CC=C(C(=O)CO)C=C1 AC6010 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 H10945 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.20 CC1=CC=C(C(=O)C(Br)Br)C=C1 D93381 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 W17856 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 C75974 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.20 CN(C)C(=O)C1=CN=C(Br)C=C1 C91401 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 A10635 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.20 O=C(C1=CC=C(Br)C=C1)C(F)F 55168 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 AB10481 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 57454 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 AB11475 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 F16678 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 38640 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.367 CCC(=O)C1=CC(C)=C(F)C=C1 N14308 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.367 CCC(=O)C1=CC(F)=C(C)C=C1 N14054 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.367 CNC(=O)C1=CC(F)=C(N)C=C1 AB8036 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=N1 D82594 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 89893 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 52415 [0,2,0,0,0,0|1,0,0]=3 707 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 27161 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 36387 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.367 COC(=O)C1=CC(Cl)=C(I)C=C1 71900 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.367 COC(=O)C1=CC(I)=C(N)N=C1 D74443 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 26246 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 D94492 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=N1 27120 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=N1 D70929 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.367 COC(=O)C1=CC=C(N)C(Br)=N1 F30314 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=N1 A10575 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 C71741 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=N1 D80385 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.367 COC(=O)C1=CN=C(Br)C(Cl)=C1 AT10809 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.367 COC(=O)C1=CN=C(C)C(Br)=N1 91342 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.367 COC(=O)C1=CN=C(C)C(C)=C1 W18451 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 C74015 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 P14147 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=N1 38398 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 D71942 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 C72053 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 P13461 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 O11955 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 P15512 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 27103 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.367 COC(=O)C1=NC(N)=C(Cl)C=C1 D80838 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 P10795 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.367 COC(=O)C1=NC=C(C)C(N)=C1 F18534 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 RB3263 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 CS1665 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.367 COC(=O)C1=NN(C)C(=O)C=C1 P13924 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.367 COC(=O)C1=NN=C(Br)C(C)=C1 F52819 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 80144 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A11075 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.367 O=C(CBr)C1=CC(F)=C(Cl)C=C1 D87891 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.367 O=C(CCl)C1=CC(F)=C(Br)C=C1 80196 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.1703 CC1=C(C(=O)NN)C=CC(Cl)=C1 D97392 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 D87870 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 T70851 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.1703 CCC(=O)C1=C(F)C=C(Cl)C=C1 55949 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.1703 CCC(=O)C1=CN=C(Cl)C=C1Cl D79379 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 75450 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 35420 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=N1 BL008119 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 F11974 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=N1 85649 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.1703 COC(=O)C1=C(Br)C=C(O)C=C1 C90903 [0,2,0,0,0,0|0,0,0]=2 753 B12R1.1703 COC(=O)C1=C(C)C=C(C)N=C1 D82510 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 F19913 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.1703 COC(=O)C1=C(C)N=C(Cl)C=C1 F16760 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.1703 COC(=O)C1=C(C)N=C(F)C=C1 C71884 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 O11963 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.1703 COC(=O)C1=C(C)NC(=O)C=C1 32384 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.1703 COC(=O)C1=C(Cl)C=C(C)C=C1 C90285 [0,2,0,0,0,0|0,0,0]=2 760 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=N1 BL010110 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=N1 BL010141 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)N=C1 C72055 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 P12276 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 O11966 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.1703 COC(=O)C1=C(I)C=C(C)C=C1 C90901 [0,2,0,0,0,0|0,0,0]=2 766 B12R1.1703 COC(=O)C1=C(I)C=C(F)C=C1 W19258 [0,2,0,0,0,0|0,0,0]=2 767 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 P18775 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=N1 55143 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)N=C1 27214 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.1703 COC(=O)C1=C(O)N=C(C)N=C1 W17872 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br 27048 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Br Y11556 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl AC8698 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl 28017 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C 68238 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F 24406 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O 76668 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N F14180 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.1703 COC(=O)C1=NC=C(Cl)N=C1Cl 84757 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C S10377 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.1703 COC(=O)C1=NC=C(F)C=C1N 85648 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(F)C=C1 78988 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 T70646 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.1703 O=C(CCl)C1=C(F)C=C(Cl)C=C1 W16973 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.1703 O=C(CO)C1=C(Cl)C=C(Cl)C=C1 AC4055 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.24 CCC(=O)C1=CC=CC(F)=C1C W10818 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.24 COC(=O)C1=C(Cl)C(Cl)=CC=N1 W16398 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.24 COC(=O)C1=C(F)C(Br)=NC=C1 AC2387 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.24 COC(=O)C1=C(F)C(F)=NC=C1 22790 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.24 COC(=O)C1=C(N)C(C)=NC=C1 P11890 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.24 COC(=O)C1=C(N)C(O)=CC=C1 25739 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.24 COC(=O)C1=CC=CC(F)=C1O 35125 [0,2,0,0,0,0|0,0,0]=2 793 B12R1.24 COC(=O)C1=CC=CC(I)=C1Cl C90780 [0,2,0,0,0,0|0,0,0]=2 794 B12R1.24 COC(=O)C1=CC=CC(I)=C1F CL9472 [0,2,0,0,0,0|0,0,0]=2 795 B12R1.24 COC(=O)C1=CC=CC(I)=C1N 87420 [0,2,0,0,0,0|0,0,0]=2 796 B12R1.24 COC(=O)C1=CC=CC(N)=C1Cl C71675 [0,2,0,0,0,0|0,0,0]=2 797 B12R1.24 COC(=O)C1=CC=CC(N)=C1F 84758 [0,2,0,0,0,0|0,0,0]=2 798 B12R1.24 COC(=O)C1=CC=CC(N)=C1I D93611 [0,2,0,0,0,0|0,0,0]=2 799 B12R1.24 COC(=O)C1=CC=CC(O)=C1Cl O11869 [0,2,0,0,0,0|0,0,0]=2 800 B12R1.24 COC(=O)C1=CC=CC(O)=C1F 31763 [0,2,0,0,0,0|0,0,0]=2 801 B12R1.24 COC(=O)C1=CC=CN(C)C1=O P10137 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.24 COC(=O)C1=CN=CC(Br)=C1Cl O11951 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.24 COC(=O)C1=CN=CC(Br)=C1O C71564 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.24 COC(=O)C1=CN=CC(Cl)=C1Cl D79951 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.24 COC(=O)C1=NC=CC(Br)=C1C W12069 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1C 36343 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1F C71146 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.24 COC(=O)C1=NC=C[N+]([O-])=C1N AC9148 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1Cl C75178 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.225 CC(=O)C(=O)C1=CC=CC(F)=C1 D79282 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 N12197 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.225 CC1=CC=CC(C(=O)C(C)C)=C1 N12777 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.225 CN(C)C(=O)C1=NC=CC(Cl)=C1 D84243 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.225 O=C(C1=CC=CC(Br)=C1)C(F)F 79339 [0,2,0,0,0,0|2,0,0]=4 815 B12R1.225 O=C(O)C(=O)C1=CC=CC(Cl)=C1 AB11010 [0,2,0,0,0,0|2,0,0]=4 816 B12R1.354 CC1=C(C(=O)NN)C=C(Br)C=C1 W11103 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.354 CCC(=O)C1=C(C)C=CC(Cl)=C1 W17965 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.354 CCC(=O)C1=C(F)C=CC(Br)=C1 F19670 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 C14451 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.354 CCC(=O)C1=C(O)C=CC(Cl)=C1 W10407 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 AB3027 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.354 COC(=O)C1=C(Br)C=CC(C)=N1 N11759 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=N1 83150 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.354 COC(=O)C1=C(Br)C=CC(O)=C1 91199 [0,2,0,0,0,0|0,0,0]=2 825 B12R1.354 COC(=O)C1=C(Br)C=NC(Cl)=N1 D96522 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.354 COC(=O)C1=C(Br)C=NC(N)=N1 67180 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=N1 D80475 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.354 COC(=O)C1=C(C)C=CC(O)=C1 35162 [0,2,0,0,0,0|0,0,0]=2 829 B12R1.354 COC(=O)C1=C(C)N=CC(Cl)=N1 N13187 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.354 COC(=O)C1=C(Cl)C=CC(=O)N1 C71788 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.354 COC(=O)C1=C(Cl)C=CC(Br)=N1 D70469 [0,2,0,0,0,0|1,0,0]=3 832 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=N1 D74444 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.354 COC(=O)C1=C(F)C=CC(Br)=N1 C71779 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.354 COC(=O)C1=C(F)C=CC(C)=N1 D79814 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.354 COC(=O)C1=C(I)C=CC(Cl)=C1 F14202 [0,2,0,0,0,0|0,0,0]=2 836 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 TD1035 [0,2,0,0,0,0|0,0,0]=2 837 B12R1.354 COC(=O)C1=C(I)C=CC(N)=C1 C90900 [0,2,0,0,0,0|0,0,0]=2 838 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=N1 Y10087 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=N1 36328 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.354 COC(=O)C1=C(N)C=CC(N)=C1 C75313 [0,2,0,0,0,0|0,0,0]=2 841 B12R1.354 COC(=O)C1=C(N)C=NC(C)=C1 92402 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.354 COC(=O)C1=C(N)C=NC(Cl)=N1 D83955 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.354 COC(=O)C1=C(N)N=CC(C)=C1 27205 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.354 COC(=O)C1=C(N)N=CC(I)=N1 26903 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.354 COC(=O)C1=C(O)N=CC(F)=N1 N13384 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Br P11748 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.354 COC(=O)C1=CC(Br)=NC=C1Cl 33641 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.354 COC(=O)C1=CC(Br)=NC=C1O P12277 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.354 COC(=O)C1=CC(C)=CN=C1Br F31227 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.354 COC(=O)C1=CC(Cl)=CNC1=O AB10289 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1N 36566 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O P12281 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.354 COC(=O)C1=CC(F)=CN=C1Br D79790 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.354 COC(=O)C1=CC(F)=CN=C1C D83689 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.354 COC(=O)C1=CC(F)=CN=C1F N13221 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.354 COC(=O)C1=CC(N)=CN=C1Cl AB9601 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.354 COC(=O)C1=CC(O)=CN=C1Cl P16237 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.354 COC(=O)C1=NC(=O)NC=C1Cl F20060 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.354 COC(=O)C1=NC(C)=CC=C1O C75887 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.354 COC(=O)C1=NC(C)=CN=C1N 78276 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.354 COC(=O)C1=NC(Cl)=CN=C1Cl W17935 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.354 COC(=O)C1=NC(F)=CN=C1F W10961 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.354 O=C(CCl)C1=C(O)C=CC(O)=C1 D93523 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.358 CNC(=O)C1=CC(Cl)=CC(Cl)=N1 D93661 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.358 COC(=O)C1=CC(Br)=CC(Br)=N1 O11925 [0,2,0,0,0,0|1,0,0]=3 866 B12R1.358 COC(=O)C1=CC(Br)=CC(Cl)=C1 AC2412 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.358 COC(=O)C1=CC(Br)=CC(N)=N1 F19593 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.358 COC(=O)C1=CC(Br)=CC(O)=C1 92695 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.358 COC(=O)C1=CC(Br)=NC(Br)=C1 39016 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.358 COC(=O)C1=CC(Br)=NC(C)=C1 63854 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.358 COC(=O)C1=CC(Br)=NC(F)=C1 70482 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.358 COC(=O)C1=CC(C)=CC(Cl)=N1 90351 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.358 COC(=O)C1=CC(C)=CC(F)=C1 95607 [0,2,0,0,0,0|0,0,0]=2 874 B12R1.358 COC(=O)C1=CC(C)=NC(C)=C1 85555 [0,2,0,0,0,0|1,0,0]=3 875 B12R1.358 COC(=O)C1=CC(Cl)=CC(Br)=N1 D83505 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.358 COC(=O)C1=CC(Cl)=CC(F)=N1 91501 [0,2,0,0,0,0|1,0,0]=3 877 B12R1.358 COC(=O)C1=CC(Cl)=CC(O)=C1 F13564 [0,2,0,0,0,0|0,0,0]=2 878 B12R1.358 COC(=O)C1=CC(F)=CC(O)=C1 AC2842 [0,2,0,0,0,0|0,0,0]=2 879 B12R1.358 COC(=O)C1=CC(I)=CC(N)=C1 68573 [0,2,0,0,0,0|0,0,0]=2 880 B12R1.358 COC(=O)C1=CC(I)=CC(O)=C1 63574 [0,2,0,0,0,0|0,0,0]=2 881 B12R1.358 COC(=O)C1=CC(N)=CC(C)=C1 35796 [0,2,0,0,0,0|0,0,0]=2 882 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=N1 P17484 [0,2,0,0,0,0|1,0,0]=3 883 B12R1.358 COC(=O)C1=CC(N)=NC(C)=C1 C14032 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.358 COC(=O)C1=NC(C)=CC(C)=N1 C74423 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.358 COC(=O)C1=NC(C)=NC(C)=C1 P20715 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.358 COC(=O)C1=NC(Cl)=NC(N)=C1 C77254 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.358 COC(=O)C1=NC(N)=CC(C)=N1 39269 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.435 C#CC1=NC=CC(C(=O)OC)=C1 C72023 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.435 C=CC1=CC=CC(C(=O)OC)=C1 D70627 [0,2,0,0,0,0|0,0,0]=2 890 B12R1.435 C=CC1=NC=CC(C(=O)OC)=C1 AT24831 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.435 CCC1=CC=CC(C(=O)OC)=N1 87881 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.435 CNC1=CC(C(=O)OC)=CN=C1 AC2444 [0,2,0,0,0,0|1,0,0]=3 893 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 95192 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.435 COC(=O)C1=CC(CCl)=CN=C1 D82677 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.435 COC(=O)C1=CC(CN)=NC=C1 83064 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.435 COC(=O)C1=CC(CO)=NC=C1 66246 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.435 COC(=O)C1=CC(NN)=CC=C1 Y14662 [0,2,0,0,0,0|0,0,0]=2 898 B12R1.435 COC(=O)C1=CC=CC(CCl)=N1 C15344 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.435 COC(=O)C1=CC=CC(CF)=N1 C71729 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.435 COC(=O)C1=CN=CC(C#N)=C1 AB9682 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.435 COC(=O)C1=CN=CC(C=O)=C1 P16250 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C72063 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.435 COC(=O)C1=NC(CN)=CC=C1 C73301 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.435 COC(=O)C1=NC=CC(C#N)=C1 79688 [0,2,0,0,0,0|1,0,0]=3 905 B12R1.435 COC(=O)C1=NC=CC(C=O)=C1 C76018 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.435 COC(=O)C1=NC=CC(CCl)=C1 P16244 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.435 N#CC1=CC=CC(C(=O)NN)=C1 D85705 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.124 CC(C)C(=O)C1=C(Cl)C=CC=C1 N12696 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 N13950 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 D71121 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 AB11009 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 AB7290 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.77 C=CC1=C(C(=O)OC)C=CC=C1 F53555 [0,2,0,0,0,0|0,0,0]=2 914 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 70929 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.77 COC(=O)C1=C(C#N)C=NC=C1 85332 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.77 COC(=O)C1=C(CCl)C=CN=C1 63528 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 O11853 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 20930 [0,2,0,0,0,0|0,0,0]=2 919 B12R1.77 COC(=O)C1=CC=CN=C1CCl 84738 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.77 COC(=O)C1=NC=CC=C1C#N AC6324 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.77 COC(=O)C1=NC=CC=C1OC 27447 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.77 N#CC1=C(C(=O)CBr)C=CC=C1 F13302 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.3441 COC(=O)C1=C(Br)C=NC=C1Br AT11253 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.3441 COC(=O)C1=C(C)C=NC=C1C AT11252 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.3441 COC(=O)C1=C(Cl)C=CN=C1Br 55289 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.3441 COC(=O)C1=C(Cl)C=CN=C1C P17403 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.3441 COC(=O)C1=C(Cl)N=CN=C1Cl 72060 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.3441 COC(=O)C1=C(F)C=NC=C1C D79934 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.3441 COC(=O)C1=C(I)C=CC=C1Br 82625 [0,2,0,0,0,0|0,0,0]=2 930 B12R1.3441 COC(=O)C1=C(I)C=CC=C1Cl D76547 [0,2,0,0,0,0|0,0,0]=2 931 B12R1.3441 COC(=O)C1=C(I)C=CC=C1F C11271 [0,2,0,0,0,0|0,0,0]=2 932 B12R1.3441 COC(=O)C1=C(N)C=CN=C1Cl 87438 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.3441 COC(=O)C1=C(N)N=CC=C1C D81973 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.3441 COC(=O)C1=C(N)N=CN=C1Cl D81323 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.3441 COC(=O)C1=C(O)C=CC=C1C C74722 [0,2,0,0,0,0|0,0,0]=2 936 B12R1.3441 COC(=O)C1=C(O)C=CC=C1N F30234 [0,2,0,0,0,0|0,0,0]=2 937 B12R1.3441 O=C(CCl)C1=C(Cl)C=CC=C1Cl Y13245 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.3441 O=C(CO)C1=C(F)C=CC=C1F AC3385 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.172 C=CC1=NC=CC(OC)=C1 52910 [0,0,1,1,0,0|2,0,0]=4 940 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,0]=2 941 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [1,0,0,1,0,0|1,0,0]=3 942 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,0,0,1,0,1|2,0,0]=4 943 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [0,0,0,1,0,1|2,0,0]=4 944 B12R2.18 CN1C(=O)NC2=C1N=CC=C2 C74108 [0,0,0,1,0,1|2,0,0]=4 945 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 P15375 [0,0,0,1,0,1|2,0,0]=4 946 B12R2.18 N[C@@H]1C(=O)NC2=C1C=CC=C2 W10169 [0,0,0,1,0,1|2,0,0]=4 947 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,0,0,1,0,1|1,0,0]=3 948 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,1,0,1|1,0,0]=3 949 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,1,0,1|2,0,0]=4 950 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,1|1,0,0]=3 951 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,0,0,1,0,1|2,0,0]=4 952 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,1,0,1|2,0,0]=4 953 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,0,1|1,0,0]=3 954 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [0,0,0,1,0,1|1,0,1]=4 955 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 71045 [0,0,0,1,0,1|1,1,0]=4 956 B12R2.116 NC1(C2=CC=CC=C2)COC1 59767 [0,1,0,1,0,0|1,0,1]=4 957 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,1,0,1,0,0|2,0,0]=4 958 B12R2.1 CCC1=NNC2=C1C=CC=C2 C10488 [0,1,0,1,0,0|2,0,0]=4 959 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,1,0,1,0,0|0,0,2]=4 960 B12R2.1 O=CC1=COC2=C1C=CC=C2 29951 [0,1,0,1,0,0|2,0,0]=4 961 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 C75026 [0,1,0,1,0,0|2,0,0]=4 962 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 77950 [0,1,0,1,0,0|1,0,1]=4 963 B12R2.2 C1=CC=C(C2=CC=NO2)C=C1 T71521 [0,1,0,1,0,0|1,0,1]=4 964 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [0,1,0,1,0,0|1,0,1]=4 965 B12R2.2 C1=CC=C(C2=NC=CO2)C=C1 36029 [0,1,0,1,0,0|1,0,1]=4 966 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,1,0,1,0,0|1,0,1]=4 968 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,1,0,1,0,0|1,0,1]=4 969 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [0,1,0,1,0,0|1,0,1]=4 970 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [0,1,0,1,0,0|2,0,0]=4 971 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [0,1,0,1,0,0|2,0,0]=4 972 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [0,1,0,1,0,0|2,0,0]=4 973 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,1,0,1,0,0|2,0,0]=4 974 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [0,1,0,1,0,0|2,0,0]=4 975 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,1,0,1,0,0|2,0,0]=4 976 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [0,1,0,1,0,0|2,0,0]=4 977 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [0,1,0,1,0,0|0,0,1]=3 978 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,1,0,1,0,0|0,0,2]=4 979 B12R2.2028 CN1C=C(Cl)C2=C1C=CC=C2 AB10986 [0,1,0,1,0,0|2,0,0]=4 980 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 24258 [0,1,0,1,0,0|2,0,0]=4 981 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 87996 [0,1,0,1,0,0|2,0,0]=4 982 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,1,0,1,0,0|1,0,0]=3 983 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 N14247 [0,1,0,1,0,0|2,0,0]=4 986 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,1,0,1,0,0|0,0,0]=2 987 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 66309 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 20323 [0,1,0,1,0,0|2,0,0]=4 989 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,1,0,0|1,0,0]=3 990 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 85957 [0,1,0,1,0,0|2,0,0]=4 991 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,1,0,0|2,0,0]=4 992 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,1,0,1,0,0|1,0,0]=3 993 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 83999 [0,1,0,1,0,0|2,0,0]=4 994 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 52917 [0,1,0,1,0,0|2,0,0]=4 995 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 26667 [0,1,0,1,0,0|2,0,0]=4 996 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 S10563 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 P13253 [0,1,0,1,0,0|1,0,0]=3 998 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [0,1,0,1,0,0|1,0,1]=4 999 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 C75084 [0,1,0,1,0,0|2,0,0]=4 1000 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,1,0,0|2,0,0]=4 1001 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,1,0,0|2,0,0]=4 1002 B12R2.132 NC1=CC2=C(C=C1)COB2O 70440 [0,1,0,1,0,0|1,0,1]=4 1003 B12R2.132 NC1=CC2=C(C=C1)ONC2=O C76344 [0,1,0,1,0,0|2,0,0]=4 1004 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,1,0,0|2,0,0]=4 1005 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,1,0,0|2,0,0]=4 1007 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [0,1,0,1,0,0|1,0,0]=3 1008 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [0,1,0,1,0,0|1,0,0]=3 1009 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [0,1,0,1,0,0|1,0,0]=3 1010 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 O10970 [0,1,0,1,0,0|2,0,0]=4 1011 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 27739 [0,1,0,1,0,0|2,0,0]=4 1012 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 F30839 [0,1,0,1,0,0|2,0,0]=4 1013 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [0,1,0,1,0,0|0,0,0]=2 1014 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [0,1,0,1,0,0|0,0,0]=2 1015 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [0,1,0,1,0,0|0,0,0]=2 1016 B12R2.132 OB1OCC2=C1C=C(F)C=C2 W19032 [0,1,0,1,0,0|1,0,1]=4 1017 B12R2.132 OB1OCC2=C1C=C(O)C=C2 F12770 [0,1,0,1,0,0|1,0,1]=4 1018 B12R2.196 CC1=CC=CC2=C1CNC2=O 80956 [0,1,0,1,0,0|1,0,0]=3 1019 B12R2.196 NC1=CC=CC2=C1COB2O D78898 [0,1,0,1,0,0|1,0,1]=4 1020 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,1,0,0|2,0,0]=4 1021 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 F17918 [0,1,0,1,0,0|1,0,0]=3 1022 B12R2.196 O=C1NCC2=C(F)C=CC=C12 94869 [0,1,0,1,0,0|1,0,0]=3 1023 B12R2.196 O=C1NCC2=C1C=CC=C2O 52838 [0,1,0,1,0,0|1,0,0]=3 1024 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [0,1,0,1,0,0|0,0,0]=2 1025 B12R2.196 O=C1OCC2=C1C=CC=C2O 76130 [0,1,0,1,0,0|0,0,0]=2 1026 B12R2.196 OB1OCC2=C(F)C=CC=C12 N16983 [0,1,0,1,0,0|1,0,1]=4 1027 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,1,0,0|1,0,0]=3 1028 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 P10726 [0,1,0,1,0,0|1,0,0]=3 1029 B12R2.203 NC1=C2C(=O)OCC2=CC=C1 F16457 [0,1,0,1,0,0|0,0,0]=2 1030 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,1,0,0|1,0,0]=3 1031 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.203 O=C1COC2=CC=CC(F)=C12 C16679 [0,1,0,1,0,0|2,0,0]=4 1033 B12R2.203 O=C1NCC2=C1C(Cl)=NC=C2 D96489 [0,1,0,1,0,0|2,0,0]=4 1034 B12R2.203 O=C1NCC2=CC=CC(F)=C12 90046 [0,1,0,1,0,0|1,0,0]=3 1035 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 Y12627 [0,1,0,1,0,0|0,0,0]=2 1036 B12R2.203 O=C1OCC2=CC=CC(F)=C12 N13153 [0,1,0,1,0,0|0,0,0]=2 1037 B12R2.203 O=C1OCC2=CC=CC(I)=C12 D83894 [0,1,0,1,0,0|0,0,0]=2 1038 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,1,0|2,0,0]=4 1039 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,1,0|2,0,0]=4 1040 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,1,0|2,0,0]=4 1041 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,0,0,0,1,0|2,0,0]=4 1042 B8R1.7 CC(=O)C1=CNN=C1 50308 [1,0,0,0,1,0|2,0,0]=4 1043 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,1,0|2,0,0]=4 1044 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,1,0|2,0,0]=4 1045 B8R1.7 O=C(O)C1=CSN=C1 83094 [1,0,0,0,1,0|2,0,0]=4 1046 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,0,0,0,1,0|2,0,0]=4 1047 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [0,0,0,0,0,2|1,0,1]=4 1048 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,0,0,0,0,2|1,0,0]=3 1049 B12R1.27 COC(=O)C#CC1=NC=CC=C1 W12522 [0,0,0,0,0,2|1,0,0]=3 1050 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [0,0,0,0,0,2|1,0,0]=3 1051 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,0,0,0,0,2|0,0,0]=2 1052 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [0,0,0,0,0,2|1,0,0]=3 1053 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,0,0,0,0,2|2,0,0]=4