0 B13R2.328 CC1=CC(=C2C=CC=NC2=N1)Cl MNO000097 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.328 CC1=CC(=NC2=CC=CC=[N+]12)C S29859 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.328 ClC1=NC(=C2N=CC=CC2=N1)Cl CDS008871 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.328 ClC1=NC2=NC=CC=C2C(=N1)Cl PH010601 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.328 NC1=CC2=C(C=CN=C2)C(=N1)Br S872938 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,0,0,0,0,0|0,0,0]=0 12 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,0,0,0,0,0|1,0,1]=2 14 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.328 O=C1C=C(N=C2N1C=CC=C2)Cl R795666 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.328 O=C1NC(=S)N=C2N1C=CC=C2 PH007719 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,0,0,0,0,0|2,0,1]=3 20 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [1,0,0,0,0,0|1,0,0]=2 25 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [1,0,0,0,0,0|1,0,0]=2 27 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [1,0,0,0,0,0|0,0,0]=1 31 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [1,0,0,0,0,0|0,0,2]=3 32 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [1,0,0,0,0,0|0,0,0]=1 35 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [1,0,0,0,0,0|1,0,0]=2 40 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [1,0,0,0,0,0|3,0,0]=4 41 B14R2.1019 CNC1=NC2=C(C=CC=C2)C(=O)O1 PH008463 [0,1,0,0,0,0|2,0,0]=3 42 B14R2.1019 ClCC1=NC2=CC=CC=C2C(=N1)Cl BBO000667 [0,1,0,0,0,0|2,0,0]=3 43 B14R2.1019 NCC1=NC(=C2C=CC=CC2=N1)O PH017876 [0,1,0,0,0,0|1,0,0]=2 44 B14R2.1019 NCC1=NC2=CC=CC=C2C(=O)N1 CBR01562 [0,1,0,0,0,0|1,0,1]=3 45 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O CDS009527 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.1146 CSC1=NC(=O)CC2=C1C=CC=C2 S761605 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.1146 OC1=CC(=C2C=CC=CC2=N1)CBr PH015678 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br BBO000286 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Br CDS020781 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)Br BBO000020 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)C BBO000026 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)Br BBO000073 [0,1,0,0,0,0|2,0,0]=3 57 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)C BBO000075 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [0,1,0,0,0,0|2,0,0]=3 59 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.8188 CC1=NC2=C(C=CC=C2)C(=O)N1C PH009348 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.8188 CC1=NC2=CC=CC=C2C(=O)N1O R245895 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Cl)Br CDS023550 [0,1,0,0,0,0|3,0,0]=4 70 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [0,1,0,0,0,0|3,0,0]=4 72 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C BBO000025 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)N)C BBO000736 [0,1,0,0,0,0|2,0,0]=3 77 B14R2.8235 CC1=CC=C2N=C(NC(=O)C2=C1)N CDS000937 [0,1,0,0,0,0|1,0,1]=3 78 B14R2.8235 CC1=NC(=C2C=C(C=CC2=N1)F)Cl CDS021119 [0,1,0,0,0,0|2,0,0]=3 79 B14R2.8235 CC1=NC2=C(C=C(C=C2)Br)C(=O)O1 PH006909 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 S188131 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=O)O1 PH004008 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.8235 CC1=NC2=C(C=C(C=C2)F)C(=C1)Cl PH003438 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Br)Br BBO000595 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000022 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Cl BBO000070 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Br BBO000074 [0,1,0,0,0,0|2,0,0]=3 88 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Cl CBR01370 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)F BBO000077 [0,1,0,0,0,0|2,0,0]=3 90 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.8235 NC1=NC2=C(C=C(C=C2)Br)[N+](=N1)[O-] S596043 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.8235 NC1=NC2=C(C=C(C=C2)Cl)C(=O)N1 PH008190 [0,1,0,0,0,0|1,0,1]=3 93 B14R2.29365 CC1=C2C=CC(=CC2=NC(=C1)Cl)Br BBO000652 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)C BBO000027 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)Cl CBR01181 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=N2)O)C S385492 [0,1,0,0,0,0|3,0,0]=4 97 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl BBO000700 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1 R101850 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=O)O1 PH009098 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)Br BBO000214 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Br BBO000156 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Cl BBO000157 [0,1,0,0,0,0|2,0,0]=3 104 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,1,0,0,0,0|3,0,0]=4 105 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,1,0,0,0,0|3,0,0]=4 106 B14R2.29365 CC1=NC2=CC(=CC=C2C(=N1)Cl)F CDS021178 [0,1,0,0,0,0|2,0,0]=3 107 B14R2.29365 CC1=NC2=CC(=CN=C2C(=N1)O)Br ADE000061 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.29365 ClC1=CC=C2C(=NC(=NC2=N1)Cl)Cl SYX00244 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,0,1,0,0,0|1,0,1]=3 112 B12R1.107 N=C(N)SC(=O)C1=CC=CC=C1 S187364 [0,0,1,0,0,0|2,0,0]=3 113 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,0,1,0,0,0|2,0,1]=4 114 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,0,0,0,1,0|2,0,0]=3 115 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,0,1,0|1,0,2]=4 116 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,0,1,0|3,0,0]=4 117 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)Cl JRD0183 [0,0,0,0,1,0|3,0,0]=4 118 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)N JRD0185 [0,0,0,0,1,0|2,0,0]=3 119 B12R2.246 CC1=NC2=C(C=CS2)C(=N1)Cl JRD0215 [0,0,0,0,1,0|3,0,0]=4 120 B12R2.246 CC1=NC2=C(SC=C2)C(=N1)Cl CBR01727 [0,0,0,0,1,0|3,0,0]=4 121 B12R2.246 ClC1=NC(=C2C=CSC2=N1)Cl SYX00043 [0,0,0,0,1,0|3,0,0]=4 122 B12R2.246 ClC1=NC(=C2SC=CC2=N1)Cl CDS005155 [0,0,0,0,1,0|3,0,0]=4 123 B12R2.246 ClC1=NC(=NN2C1=CC=C2)I SYX00176 [0,0,0,0,1,0|3,0,0]=4 124 B12R2.246 NC1=NC(=C2C=NNC2=N1)Cl CDS007701 [0,0,0,0,1,0|3,0,0]=4 125 B12R2.246 NC1=NC(=NC2=C1C=CS2)S CDS011798 [0,0,0,0,1,0|2,0,0]=3 126 B12R2.246 NC1=NC(=NC2=C1C=NN2)O CDS000700 [0,0,0,0,1,0|3,0,0]=4 127 B12R2.246 NC1=NC(=NC2=C1N=CN2)O CDS000009 [0,0,0,0,1,0|3,0,0]=4 128 B12R2.2028 CN1N=C(C2=C1N=CC=C2)N CDS013841 [0,0,0,0,1,0|3,0,0]=4 129 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,0,0,0,1,0|3,0,0]=4 130 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,0,0,0,1,0|2,0,1]=4 131 B14R2.738 CC1=NC2=C(C=CC=C2)N=C(C1)C R174289 [0,0,0,0,0,1|3,0,0]=4 132 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C L160156 [0,0,0,0,0,1|3,0,0]=4 133 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C S32825 [0,0,0,0,0,1|3,0,0]=4 134 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [1,0,1,0,0,0|2,0,0]=4 135 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,0,1,0,0,0|2,0,0]=4 138 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [1,0,1,0,0,0|2,0,0]=4 140 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,1,0,0,0|0,0,2]=4 141 B11R1.464 C(=O)C1=C(N=C(N=C1N)N)O CBR02336 [1,0,1,0,0,0|2,0,0]=4 142 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [1,0,1,0,0,0|1,0,1]=4 143 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [1,0,1,0,0,0|2,0,0]=4 144 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [2,0,0,0,0,0|1,0,0]=3 145 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [2,0,0,0,0,0|1,0,1]=4 146 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [2,0,0,0,0,0|2,0,0]=4 147 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [2,0,0,0,0,0|2,0,0]=4 148 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [2,0,0,0,0,0|0,0,2]=4 149 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [2,0,0,0,0,0|2,0,0]=4 150 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [1,1,0,0,0,0|1,0,0]=3 155 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [1,1,0,0,0,0|1,0,0]=3 156 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [1,1,0,0,0,0|2,0,0]=4 160 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [1,1,0,0,0,0|1,0,0]=3 161 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [1,1,0,0,0,0|1,0,0]=3 166 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.3683 NC1=CC=C2C=C(C=NC2=N1)Br CDS019239 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [1,1,0,0,0,0|1,0,0]=3 169 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.5179 NC1=NC=C2C(=CC=CC2=N1)Cl CDS016761 [1,1,0,0,0,0|0,0,0]=2 173 B13R2.342 BrC1=CC=CC2=C(C=CN=C12)Br BBO000590 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [1,1,0,0,0,0|1,0,0]=3 175 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)O PH002702 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.342 CC1=CC=CC2=C(C=CN=C12)Cl BBO000712 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.342 CC1=CC=CC2=C(N=CN=C12)Cl CDS005205 [1,1,0,0,0,0|1,0,0]=3 178 B13R2.342 ClC1=C2N=CC=C(C2=CC=C1)Br BBO000239 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.342 ClC1=CC=CC2=C1N=CN=C2Cl CDS020951 [1,1,0,0,0,0|1,0,0]=3 180 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)Br BBO000222 [1,1,0,0,0,0|2,0,0]=4 181 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Br BBO000240 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.342 FC1=CC=CC2=C1N=CC=C2Cl BBO000703 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br CBR00223 [1,1,0,0,0,0|1,0,0]=3 184 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl BBO000570 [1,1,0,0,0,0|1,0,0]=3 187 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F BBO000718 [1,1,0,0,0,0|1,0,0]=3 188 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Br BBO000023 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Cl BBO000039 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.1613 COC1=C2C=CC=CC2=CC=N1 T170887 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.1613 N#CC1=CC=NC2=C1C=CC=C2 S841013 [1,1,0,0,0,0|1,0,1]=4 193 B13R2.1613 N/N=C/1\C=COC2=C1C=CC=C2 T292575 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 CDS010363 [1,1,0,0,0,0|1,0,0]=3 195 B13R2.1613 NNC1=C2C=CC=CC2=CN=N1 PH016716 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.1613 NNC1=CC=CC2=CC=CC=C12 ANV00020 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.1613 NNC1=CC=NC2=CC=CC=C12 BBO000548 [1,1,0,0,0,0|1,0,0]=3 198 B13R2.1613 NNC1=NC=NC2=CC=CC=C12 CBR00329 [1,1,0,0,0,0|0,0,0]=2 199 B13R2.4818 ClC1=C2C(=CC=CC2=NC=C1)Br PH019581 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.4818 ClC1=C2C(=CC=CC2=NC=N1)Br CDS021052 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O T285277 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.4818 O=C1NC=NC2=C1C(=CC=C2)Cl R745960 [1,1,0,0,0,0|1,0,1]=4 203 B13R2.45 CN1C2=CC=CC=C2N=C1CN CDS023403 [0,1,0,0,1,0|2,0,0]=4 204 B13R2.45 N#CC1=C(C2=C(S1)C=CC=C2)N T138746 [0,1,0,0,1,0|1,0,1]=4 205 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [0,1,0,0,1,0|2,0,0]=4 206 B13R2.45 NCC1=C(C2=CC=CC=C2S1)Cl CBR01694 [0,1,0,0,1,0|2,0,0]=4 207 B13R2.135 NCC1=C(NC2=CC=CC=C12)O PH019069 [0,1,0,0,1,0|1,0,1]=4 208 B13R2.3085 CN1C2=CC=CC=C2C(=C1O)N PH019068 [0,1,0,0,1,0|1,0,1]=4 209 B13R2.5397 CC1=CC2=C(O1)N=C(N=C2C)N CBR00422 [0,1,0,0,1,0|2,0,0]=4 210 B13R2.2931 CCN1N=C(C2=C1C=CC=C2)N CBR00053 [0,1,0,0,1,0|2,0,0]=4 211 B13R2.2931 CN1N=C(C2=CC=CC=C12)CN CDS023609 [0,1,0,0,1,0|2,0,0]=4 212 B13R2.2931 N/N=C/1\CC(=O)C2=C1C=CC=C2 R956031 [0,1,0,0,1,0|2,0,0]=4 213 B13R2.4857 CN1N=C(C2=C(C=CC=C12)F)N SYX00077 [0,1,0,0,1,0|2,0,0]=4 214 B13R2.4857 CN1N=C(C2=CC=CC(=C12)F)N SYX00159 [0,1,0,0,1,0|2,0,0]=4 215 B13R2.5187 CN1N=C(C2=CC(=CC=C12)Br)N CDS023144 [0,1,0,0,1,0|2,0,0]=4 216 B13R2.5187 CN1N=C(C2=CC(=CC=C12)F)N SYX00157 [0,1,0,0,1,0|2,0,0]=4 217 B13R2.5187 CN1N=C(C2=CC=C(C=C12)F)N SYX00158 [0,1,0,0,1,0|2,0,0]=4 218 B15R2.886 CCCC1=CC(=C2C=CC=CC2=N1)N BBO000303 [0,2,0,0,0,0|2,0,0]=4 219 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 CBR02311 [0,2,0,0,0,0|1,0,1]=4 220 B15R2.14951 CN(C)C1=NC2=CC=CC=C2C(=N1)N PH019053 [0,2,0,0,0,0|0,0,0]=2 221 B15R2.988 CC1=NC2=C(C=CC=C2)C(=C1)C(=O)N S363480 [0,2,0,0,0,0|2,0,0]=4 222 B15R2.988 NC1=CC(=C2C=CC=CC2=N1)C(=O)O CDS001855 [0,2,0,0,0,0|2,0,0]=4 223 B15R2.4392 CCOC1=CC(=NC2=C1C=CC=C2)N PH000802 [0,2,0,0,0,0|2,0,0]=4 224 B15R2.4392 CCOC1=NC(=NC2=C1C=CC=C2)Cl PH008672 [0,2,0,0,0,0|2,0,0]=4 225 B15R2.89950 CC1=NC2=CC=C(C=C2C(=C1)NN)F PH018445 [0,2,0,0,0,0|2,0,0]=4 226 B15R2.14648 CC1=NC2=C(C=CC(=C2C(=C1)N)Cl)Cl BBO000084 [0,2,0,0,0,0|2,0,0]=4 227 B15R2.59732 CC1=CC(=C2C=C(C=C(C2=N1)Cl)Cl)N BBO000740 [0,2,0,0,0,0|2,0,0]=4 228 B15R2.59732 CC1=CC(=C2N=C(C=C(C2=C1)N)C)C BBO000151 [0,2,0,0,0,0|2,0,0]=4 229 B15R2.59732 CC1=NC2=C(C=C(C=C2C(=C1)N)F)F BBO000299 [0,2,0,0,0,0|2,0,0]=4 230 B15R2.63910 CC1=NC2=C(C(=CC=C2C(=C1)N)Cl)Cl BBO000082 [0,2,0,0,0,0|2,0,0]=4 231 B15R2.21329 COC1=CC=C2N=C(C=C(C2=C1)N)C BBO000079 [0,2,0,0,0,0|2,0,0]=4 232 B15R2.21329 NC1=NC(=C2N=C(C=NC2=N1)CO)N CDS013903 [0,2,0,0,0,0|2,0,0]=4 233 B15R2.65793 CC1=CC(=[O+]C2=C1C(=NC(=N2)N)O)C R910635 [0,2,0,0,0,0|2,0,0]=4 234 B15R2.65793 CC1=NC2=CC(=CC(=C2C(=C1)N)Cl)Cl BBO000083 [0,2,0,0,0,0|2,0,0]=4 235 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)C)N BBO000568 [0,2,0,0,0,0|2,0,0]=4 236 B13R2.26 C/C=C/C1=NC2=C(N1)C=CC=C2 S915440 [0,0,1,1,0,0|2,0,0]=4 237 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 CDS013765 [0,0,1,1,0,0|1,0,1]=4 238 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 L300756 [0,0,1,1,0,0|1,0,1]=4 239 B13R2.10 CC1=NC(=CN1)C2=CC=CC=C2 CBR02038 [0,0,1,1,0,0|2,0,0]=4 240 B13R2.10 CC1=NNC(=C1)C2=CC=CC=C2 L496162 [0,0,1,1,0,0|2,0,0]=4 241 B13R2.10 ClC1=NSC(=N1)C2=CC=CC=C2 T321990 [0,0,1,1,0,0|2,0,0]=4 242 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 L133558 [0,0,1,1,0,0|2,0,0]=4 243 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 OTV000831 [0,0,1,1,0,0|2,0,0]=4 244 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 L316873 [0,0,1,1,0,0|1,0,1]=4 245 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 R100978 [0,0,1,1,0,0|1,0,1]=4 246 B13R2.10 NC1=NN=C([Se]1)C2=CC=CC=C2 S139815 [0,0,1,1,0,0|1,0,1]=4 247 B13R2.10 NC1=NOC(=C1)C2=CC=CC=C2 JRD0178 [0,0,1,1,0,0|2,0,0]=4 248 B13R2.10 NC1=NSC(=N1)C2=CC=CC=C2 CDS015096 [0,0,1,1,0,0|1,0,0]=3 249 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,0,1,0,1,0|1,0,1]=4 250 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,0,1,0,1,0|1,0,1]=4 251 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [1,0,0,0,1,0|2,0,0]=4 252 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,0,1,0|2,0,0]=4 253 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,0,1,0|2,0,0]=4 254 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [1,0,0,0,1,0|2,0,0]=4 255 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [1,0,0,0,1,0|2,0,0]=4 256 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [1,0,0,0,1,0|1,0,0]=3 257 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [1,0,0,0,1,0|2,0,0]=4 258 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [1,0,0,0,1,0|2,0,0]=4 259 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,0,1,0|1,0,0]=3 260 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [1,0,0,0,1,0|2,0,0]=4 261 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,0,1,0|1,0,1]=4 262 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [1,0,0,0,1,0|2,0,0]=4 263 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [1,0,0,0,1,0|2,0,0]=4 264 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [1,0,0,0,1,0|2,0,0]=4 265 B11R2.36 ClC1=NC2=C(C=N1)SC=C2 CDS021194 [1,0,0,0,1,0|2,0,0]=4 266 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [1,0,0,0,1,0|2,0,0]=4 267 B11R2.106 NC1=C2OC=CC2=NC=C1 ADE001178 [1,0,0,0,1,0|2,0,0]=4 268 B13R1.45 C/C(=N\NC(=S)N)/C1=CC=CC=C1 S536660 [0,0,1,0,0,1|2,0,0]=4