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|3,0,0]=3 3 B13R2.328 CC1=CC(=O)N2=CC=CC=C2N1 OTV000974 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 T320765 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,0,0,0,0,0|0,0,0]=0 6 B13R2.328 CC1=NC2=CC=CC=C2C(=N1)Cl ANV00241 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,0,0,0,0,0|1,0,0]=1 9 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.328 NC1=NC(=C2C=CC=CC2=N1)N CDS001152 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CDS020257 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.328 O=C1C=C(N=C2N1C=CC=C2)Cl R795666 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.328 O=C1C=C([N+]2=C(N1)C=CC=C2)[O-] R973165 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.328 O=C1SC(=NC2=C1C=CC=C2)S S275190 [0,0,0,0,0,0|3,1,0]=4 17 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.328 [NH+]1=C(C2=C(C=CC=C2)N=C1C)O R663514 [0,0,0,0,0,0|4,0,0]=4 19 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [1,0,0,0,0,0|3,0,0]=4 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=NC=CC=C2C=C1 ADE000831 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [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|3,0,0]=4 24 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [1,0,0,0,0,0|2,0,1]=4 34 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.1081 ClC1=CC=NC2=C1C=NC=C2 CDS023178 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [1,0,0,0,0,0|1,1,0]=3 51 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [1,0,0,0,0,0|3,0,0]=4 52 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [1,0,0,0,0,0|3,0,0]=4 55 B14R2.1019 C[N+]1=CC(=CC2=CC=CC=C12)C#N R254789 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.1019 O=CC1=NC2=C(C=CC=C2)[N+](=C1)[O-] PH008269 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.1019 O=CC1=NC2=CC=CC=C2C(=C1)O CDS009527 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 PH009702 [0,1,0,0,0,0|0,0,0]=1 59 B14R2.1146 CSC1=NC(=O)CC2=C1C=CC=C2 S761605 [0,1,0,0,0,0|2,0,0]=3 60 B14R2.1146 OC1=CC(=C2C=CC=CC2=N1)CBr PH015678 [0,1,0,0,0,0|1,0,1]=3 61 B14R2.7724 CC1=CC(=O)N(C2=C1C=CC=C2)C PH005171 [0,1,0,0,0,0|1,0,0]=2 62 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S512214 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.7724 CC1=[N+](C2=C(C=CC=C2)C(=C1)Cl)C S515639 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.7724 CC1C(=O)NC(=O)C2=C1C=CC=C2 T153575 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 T323713 [0,1,0,0,0,0|2,0,1]=4 66 B14R2.7724 NC1=C(C=C(C2=C1C=CC=C2)Br)Br S860042 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.7724 OC1=C(C=C(C2=C1C=CC=C2)Br)Br PH011201 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Br BBO000235 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)Cl BBO000144 [0,1,0,0,0,0|3,0,0]=4 70 B14R2.8045 CC1=C2N=CC=C(C2=CC(=C1)Cl)O BBO000032 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)Br)Br BBO000286 [0,1,0,0,0,0|3,0,0]=4 72 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Br CDS020781 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C T327395 [0,1,0,0,0,0|2,0,0]=3 75 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)Cl)C BBO000167 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.8045 CC1=CC(=C2N=CC=C(C2=C1)O)C BBO000048 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)Cl)Br BBO000310 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl BBO000763 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.8045 CC1=CC(=CC2=C(C=CN=C12)N)Cl CDS019164 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.8045 CC1=CC(=NC2=C1C=CC=C2C)O S376183 [0,1,0,0,0,0|1,0,1]=3 81 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O T315990 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.8045 CC1=CC=C[N+]2=C1N=C(C=C2C)C R606456 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)Br BBO000020 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)C BBO000026 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)Br BBO000073 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)C BBO000075 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [0,1,0,0,0,0|3,0,0]=4 89 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)Br BBO000223 [0,1,0,0,0,0|3,0,0]=4 90 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)C BBO000042 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [0,1,0,0,0,0|3,0,0]=4 92 B14R2.8045 CC1=NC2=C(C=CC=C2Cl)C(=C1)O BBO000698 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.8188 CC1=C(C(=C2C=CC=NC2=N1)C)Br T314560 [0,1,0,0,0,0|3,0,0]=4 94 B14R2.8188 CC1=CC2=C(C=CC=C2)C(=C1C)I R268623 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)Cl BBO000651 [0,1,0,0,0,0|3,0,0]=4 97 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Br)N CDS022707 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1Cl)Br BBO000648 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [0,1,0,0,0,0|2,0,0]=3 100 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O TMT00237 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.8188 CN1C(=O)OC2=C(C1=O)C=CC=C2 PH009096 [0,1,0,0,0,0|2,0,0]=3 102 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [0,1,0,0,0,0|1,0,0]=2 103 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [0,1,0,0,0,0|2,0,0]=3 104 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Cl)Br CDS023550 [0,1,0,0,0,0|3,0,0]=4 105 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [0,1,0,0,0,0|2,0,0]=3 106 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [0,1,0,0,0,0|1,0,1]=3 107 B14R2.8235 CC1=CC(=NC2=[N+]1C=C(C=C2)Br)C S29883 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,1,0,0,0,0|2,0,0]=3 109 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [0,1,0,0,0,0|1,0,1]=3 111 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [0,1,0,0,0,0|2,0,0]=3 112 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [0,1,0,0,0,0|0,0,0]=1 113 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [0,1,0,0,0,0|2,0,0]=3 114 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C BBO000025 [0,1,0,0,0,0|3,0,0]=4 115 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)N)C BBO000736 [0,1,0,0,0,0|3,0,0]=4 116 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,1,0,0,0,0|3,0,0]=4 117 B14R2.8235 CC1=NC2=C(C=C(C=C2)F)C(=C1)Cl PH003438 [0,1,0,0,0,0|3,0,0]=4 118 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Br)Br BBO000595 [0,1,0,0,0,0|3,0,0]=4 119 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000022 [0,1,0,0,0,0|3,0,0]=4 120 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Cl BBO000070 [0,1,0,0,0,0|3,0,0]=4 121 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Br BBO000074 [0,1,0,0,0,0|3,0,0]=4 122 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Cl CBR01370 [0,1,0,0,0,0|3,0,0]=4 123 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)F BBO000077 [0,1,0,0,0,0|3,0,0]=4 124 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,1,0,0,0,0|3,0,0]=4 125 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,1,0,0,0,0|1,0,0]=2 126 B14R2.8235 O=C1NC2=CC=C(C=C2C(=O)O1)F CDS019993 [0,1,0,0,0,0|3,0,0]=4 127 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C BBO000165 [0,1,0,0,0,0|3,0,0]=4 128 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)N)C BBO000152 [0,1,0,0,0,0|3,0,0]=4 129 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)O)C BBO000043 [0,1,0,0,0,0|3,0,0]=4 130 B14R2.28480 CC1=CC(=O)C2=C(N1)C=CC=C2C R261815 [0,1,0,0,0,0|3,0,0]=4 131 B14R2.28480 CC1=CC2=NC=CC(=C2C(=C1)C)Br BBO000593 [0,1,0,0,0,0|3,0,0]=4 132 B14R2.28480 O=C1CC2=C(C(=O)O1)C(=CC=C2)F PH019588 [0,1,0,0,0,0|3,0,0]=4 133 B14R2.29365 CC1=C2C=CC(=CC2=NC(=C1)Cl)Br BBO000652 [0,1,0,0,0,0|2,0,0]=3 134 B14R2.29365 CC1=CC(=C2C=CC(=NC2=C1)C)C BBO000089 [0,1,0,0,0,0|3,0,0]=4 135 B14R2.29365 CC1=CC(=C2C=CC(=NC2=N1)O)C T151793 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.29365 CC1=CC(=NC2=C1C=CC(=N2)O)O S437727 [0,1,0,0,0,0|2,0,1]=4 137 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)C BBO000027 [0,1,0,0,0,0|2,0,0]=3 138 B14R2.29365 CC1=CC(=NC2=CC(=CC=C12)Cl)Cl CBR01181 [0,1,0,0,0,0|2,0,0]=3 139 B14R2.29365 CC1=CC(=O)C2=C(N1)C=C(C=C2)Br R261793 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)Br OTV000861 [0,1,0,0,0,0|1,0,0]=2 141 B14R2.29365 CC1=CC(=[O+]C2=C1C=CC(=C2)O)C S32949 [0,1,0,0,0,0|1,0,1]=3 142 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=N2)O)C S385492 [0,1,0,0,0,0|1,0,1]=3 143 B14R2.29365 CC1=CC2=C(C=C1)C(=CC(=O)O2)O IDF00004 [0,1,0,0,0,0|1,0,0]=2 144 B14R2.29365 CC1=NC2=C(C=CC(=C2)Cl)C(=C1)Cl BBO000700 [0,1,0,0,0,0|3,0,0]=4 145 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)Br BBO000214 [0,1,0,0,0,0|3,0,0]=4 146 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)Cl)F BBO000171 [0,1,0,0,0,0|3,0,0]=4 147 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Br BBO000156 [0,1,0,0,0,0|3,0,0]=4 148 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)N)Cl BBO000157 [0,1,0,0,0,0|3,0,0]=4 149 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)Cl BBO000069 [0,1,0,0,0,0|3,0,0]=4 150 B14R2.29365 CC1=NC2=CC(=CC=C2C(=C1)O)F BBO000217 [0,1,0,0,0,0|3,0,0]=4 151 B14R2.29365 O=C1C=C(C2=C(O1)C=C(C=C2)Cl)O PH004653 [0,1,0,0,0,0|1,0,0]=2 152 B14R2.29365 O=C1NC(=O)C2=CC=C(C=C2N1)Cl T309141 [0,1,0,0,0,0|3,0,0]=4 153 B14R2.29365 O=C1NC2=CC(=CC=C2C(=O)O1)F CDS019634 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,0,1,0,0,0|2,0,1]=4 155 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,0,1,0,0,0|2,0,1]=4 156 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,0,1,0,0,0|2,0,1]=4 157 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,0,1,0,0,0|1,0,1]=3 158 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,0,1,0,0,0|3,0,0]=4 159 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,0,1,0,0,0|1,0,2]=4 160 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,0,1,0,0,0|3,0,0]=4 161 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,0,1,0,0,0|3,0,0]=4 162 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,0,1,0,0,0|1,0,1]=3 163 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [0,0,1,0,0,0|1,0,2]=4 164 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [0,0,1,0,0,0|1,0,2]=4 165 B12R1.75 CCC1=CC=CC=C1NC(=O)N S641782 [0,0,1,0,0,0|2,0,1]=4 166 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,0,1,0,0,0|3,0,0]=4 167 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [0,0,1,0,0,0|3,0,0]=4 168 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [0,0,1,0,0,0|2,0,1]=4 169 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [0,0,1,0,0,0|3,0,0]=4 170 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,0,1,0,0,0|2,0,1]=4 171 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,0,1,0,0,0|1,0,0]=2 172 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,0,1,0,0,0|0,0,0]=1 173 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,0,1,0,0,0|3,0,0]=4 174 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,0,1,0,0,0|0,0,2]=3 175 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,0,1,0,0,0|3,0,0]=4 176 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [0,0,1,0,0,0|3,0,0]=4 177 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,0,1,0,0,0|3,0,0]=4 178 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,1,0,0|2,0,1]=4 179 B14R3.608 O=C1CC2CC1C3=C2C=CC=C3 T201596 [0,0,0,1,0,0|1,0,2]=4 180 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,0,0,0,1,0|2,1,0]=4 181 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,0,0,0,1,0|2,1,0]=4 182 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,0,0,0,1,0|2,1,0]=4 183 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,0,0,0,1,0|2,1,0]=4 184 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,0,0,0,1,0|3,0,0]=4 185 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,0,1,0|2,0,0]=3 186 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,0,1,0|1,1,0]=3 187 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,0,0,0,1,0|2,1,0]=4 188 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,0,1,0|2,0,1]=4 189 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,0,1,0|3,0,0]=4 190 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,0,1,0|3,0,0]=4 191 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,0,1,0|2,0,1]=4 192 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,0,0,0,1,0|2,0,0]=3 193 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,0,0,0,1,0|1,0,1]=3 194 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,0,0,0,1,0|3,0,0]=4 195 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,0,0,0,1,0|2,0,0]=3 196 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,0,0,0,1,0|2,0,0]=3 197 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 R733776 [0,0,0,0,0,1|1,0,1]=3 198 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 PH006911 [0,0,0,0,0,1|2,0,1]=4 199 B14R2.738 CC1=NC2=C(C=CC=C2)N=C(C1)C R174289 [0,0,0,0,0,1|2,0,1]=4 200 B14R2.738 CC1CC(=O)NC2=C(N1)C=CC=C2 S615005 [0,0,0,0,0,1|1,0,2]=4 201 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C L160156 [0,0,0,0,0,1|2,0,0]=3 202 B14R2.738 N1C(=CC(=NC2=C1C=CC=C2)C)C S32825 [0,0,0,0,0,1|2,0,0]=3 203 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,0,1,0,0,0|0,0,1]=3 204 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,0,1,0,0,0|0,1,1]=4 205 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [1,0,1,0,0,0|1,1,0]=4 206 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,0,1,0,0,0|0,0,1]=3 207 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,0,1,0,0,0|2,0,0]=4 208 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,0,1,0,0,0|1,0,1]=4 210 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [1,0,1,0,0,0|1,0,1]=4 211 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,0,1,0,0,0|1,0,1]=4 212 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,0,1,0,0,0|1,0,1]=4 213 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,0,1,0,0,0|2,0,0]=4 214 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,0,1,0,0,0|2,0,0]=4 215 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,0,1,0,0,0|1,0,1]=4 217 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [1,0,1,0,0,0|1,0,1]=4 218 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,1,0,0,0|0,0,1]=3 219 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,1,0,0,0|0,0,0]=2 220 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [1,0,1,0,0,0|1,0,0]=3 221 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,0,1,0,0,0|1,0,0]=3 222 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,1,0,0,0|0,0,1]=3 223 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,1,0,0,0|0,0,1]=3 224 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [1,0,1,0,0,0|0,0,2]=4 225 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [2,0,0,0,0,0|2,0,0]=4 226 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [2,0,0,0,0,0|1,0,0]=3 227 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [2,0,0,0,0,0|2,0,0]=4 228 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [2,0,0,0,0,0|2,0,0]=4 229 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [2,0,0,0,0,0|2,0,0]=4 230 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [2,0,0,0,0,0|1,0,1]=4 231 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)Br S718157 [0,1,1,0,0,0|1,0,0]=3 232 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)C S659401 [0,1,1,0,0,0|1,0,0]=3 233 B13R1.19 CCNC(=O)OC1=CC=C(C=C1)C S690589 [0,1,1,0,0,0|1,0,1]=4 234 B13R1.19 CCOC(=O)OC1=CC=C(C=C1)Cl PH008708 [0,1,1,0,0,0|1,0,1]=4 235 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [0,1,1,0,0,0|1,0,1]=4 236 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [0,1,1,0,0,0|0,0,2]=4 237 B13R1.135 CCC(Br)C(=O)OC1=CC=CC=C1 PH000737 [0,1,1,0,0,0|0,0,2]=4 238 B13R1.348 CC(=CC(=O)NC1=CC=CC=C1)C PH007530 [0,1,1,0,0,0|1,0,0]=3 239 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.470 C/C=C/C(=O)NC1=C(C=CC=C1)F S795585 [0,1,1,0,0,0|1,0,0]=3 241 B13R1.1327 C(=C/S(=O)(=O)CC1=CC=CC=C1)\C T299219 [0,1,1,0,0,0|2,0,0]=4 242 B13R1.91 CNC(=O)OC1=C(C=CC=C1)OC PH009207 [0,1,1,0,0,0|1,0,1]=4 243 B13R1.589 CC(=O)NC1=C(C=CC=C1)C(=O)C PH011163 [0,1,1,0,0,0|1,0,1]=4 244 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C S928887 [0,1,1,0,0,0|0,0,1]=3 245 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)N R239674 [0,1,1,0,0,0|1,0,1]=4 246 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)O CDS014072 [0,1,1,0,0,0|1,0,1]=4 247 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [0,1,1,0,0,0|1,0,0]=3 248 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,1,1,0,0,0|0,0,0]=2 249 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,1,1,0,0,0|1,0,1]=4 250 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,1,1,0,0,0|0,0,2]=4 251 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,1,1,0,0,0|0,0,2]=4 252 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,1,1,0,0,0|0,0,2]=4 253 B13R1.132 CC1=CC=C(C=C1)/C(=C/C(=O)O)/C L128317 [0,1,1,0,0,0|0,0,0]=2 254 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,1,1,0,0,0|0,0,2]=4 255 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,1,1,0,0,0|0,0,2]=4 256 B13R1.152 O=C(O)/C(=C(/Br)\C1=CC=CC=C1)/Br S731374 [0,1,1,0,0,0|1,0,0]=3 257 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [0,1,1,0,0,0|0,0,2]=4 258 B13R1.201 CC1=CC=CC=C1/C(=C/C(=O)O)/C R244880 [0,1,1,0,0,0|0,0,0]=2 259 B13R1.352 O=P(O)(O)/C=C(\Cl)/C1=CC=CC=C1 S996831 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 PH015123 [0,1,1,0,0,0|0,0,2]=4 261 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [1,1,0,0,0,0|2,0,0]=4 263 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [1,1,0,0,0,0|2,0,0]=4 264 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [1,1,0,0,0,0|1,1,0]=4 265 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [1,1,0,0,0,0|2,0,0]=4 266 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [1,1,0,0,0,0|2,0,0]=4 267 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [1,1,0,0,0,0|1,0,0]=3 268 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [1,1,0,0,0,0|2,0,0]=4 269 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [1,1,0,0,0,0|1,0,1]=4 271 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [1,1,0,0,0,0|2,0,0]=4 272 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [1,1,0,0,0,0|2,0,0]=4 274 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [1,1,0,0,0,0|2,0,0]=4 277 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [1,1,0,0,0,0|1,0,1]=4 278 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [1,1,0,0,0,0|2,0,0]=4 279 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [1,1,0,0,0,0|2,0,0]=4 280 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [1,1,0,0,0,0|0,0,0]=2 281 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [1,1,0,0,0,0|1,0,0]=3 282 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [1,1,0,0,0,0|0,0,2]=4 283 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [1,1,0,0,0,0|2,0,0]=4 284 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,1,0,0,0,0|2,0,0]=4 285 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [1,1,0,0,0,0|2,0,0]=4 286 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [1,1,0,0,0,0|2,0,0]=4 287 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [1,1,0,0,0,0|1,0,0]=3 288 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [1,1,0,0,0,0|2,0,0]=4 289 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [1,1,0,0,0,0|0,0,0]=2 290 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [1,1,0,0,0,0|0,0,2]=4 291 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [1,1,0,0,0,0|1,0,0]=3 292 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [1,1,0,0,0,0|1,0,0]=3 293 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [1,1,0,0,0,0|0,1,0]=3 294 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [1,1,0,0,0,0|2,0,0]=4 296 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [1,1,0,0,0,0|0,0,2]=4 297 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [1,1,0,0,0,0|2,0,0]=4 298 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [1,1,0,0,0,0|2,0,0]=4 299 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [1,1,0,0,0,0|1,0,1]=4 300 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [1,1,0,0,0,0|0,0,0]=2 301 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [1,1,0,0,0,0|0,0,0]=2 302 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [1,1,0,0,0,0|2,0,0]=4 303 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [1,1,0,0,0,0|0,0,0]=2 304 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [1,1,0,0,0,0|1,0,0]=3 305 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [1,1,0,0,0,0|1,0,0]=3 306 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [1,1,0,0,0,0|0,0,2]=4 307 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [1,1,0,0,0,0|1,0,1]=4 308 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [1,1,0,0,0,0|2,0,0]=4 309 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,1,0,0,0,0|1,0,1]=4 310 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.342 BrC1=CC=CC2=C(C=CN=C12)Br BBO000590 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.342 BrC1=CC=CC2=C1C=CC=C2Br S671576 [1,1,0,0,0,0|2,0,0]=4 313 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)N BBO000078 [1,1,0,0,0,0|2,0,0]=4 314 B13R2.342 CC1=C2N=CC=C(C2=CC=C1)O PH002702 [1,1,0,0,0,0|2,0,0]=4 315 B13R2.342 CC1=CC=CC2=C(C=CN=C12)Cl BBO000712 [1,1,0,0,0,0|2,0,0]=4 316 B13R2.342 ClC1=C2N=CC=C(C2=CC=C1)Br BBO000239 [1,1,0,0,0,0|2,0,0]=4 317 B13R2.342 ClC1=CC=NC2=C(C=CC=C12)Br BBO000222 [1,1,0,0,0,0|2,0,0]=4 318 B13R2.342 FC1=C2N=CC=C(C2=CC=C1)Br BBO000240 [1,1,0,0,0,0|2,0,0]=4 319 B13R2.342 FC1=CC=CC2=C1N=CC=C2Cl BBO000703 [1,1,0,0,0,0|2,0,0]=4 320 B13R2.342 NC1=C2C=CC=C(C2=NC=C1)Br CBR00223 [1,1,0,0,0,0|2,0,0]=4 321 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [1,1,0,0,0,0|2,0,0]=4 322 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [1,1,0,0,0,0|2,0,0]=4 323 B13R2.342 NC1=CC=NC2=C(C=CC=C12)Cl BBO000570 [1,1,0,0,0,0|2,0,0]=4 324 B13R2.342 NC1=CC=NC2=C(C=CC=C12)F BBO000718 [1,1,0,0,0,0|2,0,0]=4 325 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Br BBO000023 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.342 OC1=CC=NC2=C(C=CC=C12)Cl BBO000039 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br CDS021083 [1,1,0,0,0,0|2,0,0]=4 328 B13R2.371 CC1=CC=C(C2=CC=CN=C12)O PH017862 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.371 CC1=CC=[N+](C2=C1C=CC=C2)C S395153 [1,1,0,0,0,0|1,0,0]=3 330 B13R2.371 ClC1=CC=C(C2=C1C=CC=C2)I R268704 [1,1,0,0,0,0|2,0,0]=4 331 B13R2.371 NC1=CC=C(C2=C1C=CC=C2)O S57836 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.371 [O-][N+]1=CC=C(C2=C1C=CC=C2)Cl T161721 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.1613 BrCC1=CC=CC2=C1N=CC=C2 PH010429 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S633127 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S697117 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.1613 CC[N+]1=CC=CC2=C1C=CC=C2 S920983 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.1613 COC1=C2C=CC=CC2=CC=N1 T170887 [1,1,0,0,0,0|2,0,0]=4 338 B13R2.1613 N#CC1=CC=NC2=C1C=CC=C2 S841013 [1,1,0,0,0,0|1,0,1]=4 339 B13R2.1613 N/N=C/1\C=COC2=C1C=CC=C2 T292575 [1,1,0,0,0,0|1,0,0]=3 340 B13R2.1613 NCC1=CC=NC2=C1C=CC=C2 CDS010363 [1,1,0,0,0,0|1,0,0]=3 341 B13R2.1613 NNC1=CC=CC2=CC=CC=C12 ANV00020 [1,1,0,0,0,0|2,0,0]=4 342 B13R2.1613 NNC1=CC=NC2=CC=CC=C12 BBO000548 [1,1,0,0,0,0|2,0,0]=4 343 B13R2.1613 OCC1=CC=CC2=CC=CN=C12 CDS021555 [1,1,0,0,0,0|2,0,0]=4 344 B13R2.1613 OCC1=CC=CC2=NC=CC=C12 CDS009892 [1,1,0,0,0,0|2,0,0]=4 345 B13R2.4818 CC1=CC=CC2=C1[N+](=CC=C2)C R461709 [1,1,0,0,0,0|2,0,0]=4 346 B13R2.4818 CC1=CN=CC2=CC=CC(=C12)Br SYX00212 [1,1,0,0,0,0|2,0,0]=4 347 B13R2.4818 ClC1=C2C(=CC=CC2=NC=C1)Br PH019581 [1,1,0,0,0,0|2,0,0]=4 348 B13R2.4818 ClC1=CC=CC2=C1C(=CC=C2)Cl T283169 [1,1,0,0,0,0|2,0,0]=4 349 B13R2.4818 NC1=C2C(=CC=CC2=CC=C1)O T285277 [1,1,0,0,0,0|2,0,0]=4 350 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [0,1,0,0,1,0|0,0,0]=2 351 B13R2.45 CN1C(=NC2=C1C=CC=C2)C=O PH010767 [0,1,0,0,1,0|2,0,0]=4 352 B13R2.135 CC1=C(C2=CC=CC=C2O1)C#N T327042 [0,1,0,0,1,0|1,0,1]=4 353 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,1,0,0,1,0|1,0,1]=4 354 B13R2.135 N1C(=O)/C(=N\O)/C2=C1C=CC=C2 T308250 [0,1,0,0,1,0|2,0,0]=4 355 B13R2.135 NCC1=C(NC2=CC=CC=C12)O PH019069 [0,1,0,0,1,0|1,0,1]=4 356 B13R2.135 O=C1NC2=CC=CC=C2N1CO PH007132 [0,1,0,0,1,0|2,0,0]=4 357 B13R2.135 O=C1SC2=C(N1CCl)C=CC=C2 R587516 [0,1,0,0,1,0|1,1,0]=4 358 B13R2.135 O=C1SC2=C(N1CO)C=CC=C2 R587532 [0,1,0,0,1,0|1,1,0]=4 359 B13R2.135 O=C1SC2=CC=CC=C2N1CCl R242918 [0,1,0,0,1,0|1,1,0]=4 360 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R240605 [0,1,0,0,1,0|1,1,0]=4 361 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R587117 [0,1,0,0,1,0|1,1,0]=4 362 B13R2.359 CC1(C(=O)CC2=C1C=CC=C2)C PH008000 [0,1,0,0,1,0|1,0,1]=4 363 B13R2.3028 CC1=C(C2=C(O1)C=CC(=C2)N)C CDS024504 [0,1,0,0,1,0|1,0,0]=3 364 B13R2.3028 N1C(=C(C2=C1C=CC(=C2)N)C)C S428590 [0,1,0,0,1,0|2,0,0]=4 365 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [0,1,0,0,1,0|1,0,1]=4 366 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,1,0,0,1,0|2,0,0]=4 367 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,1,0,0,1,0|2,0,0]=4 368 B13R2.4856 CC1=C(C2=C(O1)C=CNC2=O)C L299502 [0,1,0,0,1,0|2,0,0]=4 369 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,1,0,0,1,0|2,0,0]=4 370 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,1,0,0,1,0|2,0,0]=4 371 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,1,0,0,1,0|2,0,0]=4 372 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,0,1,0|2,0,0]=4 373 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,0,1,0|2,0,0]=4 374 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,0,1,0|2,0,0]=4 375 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,0,1,0|2,0,0]=4 376 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,0,1,0|2,0,0]=4 377 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,0,1,0|2,0,0]=4 378 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,0,1,0|2,0,0]=4 379 B13R2.2931 CN1C=C(C2=C1C=CC=C2)C#N CBR01489 [0,1,0,0,1,0|2,0,0]=4 380 B13R2.2931 N/N=C/1\CC(=O)C2=C1C=CC=C2 R956031 [0,1,0,0,1,0|1,0,1]=4 381 B13R2.4857 CC1OC(=O)C2=C1C=CC=C2O S955914 [0,1,0,0,1,0|1,0,1]=4 382 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2Cl S663077 [0,1,0,0,1,0|2,0,0]=4 383 B13R2.5187 CC1CC(=O)C2=C1C=C(C=C2)O PH008300 [0,1,0,0,1,0|0,0,2]=4 384 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O CDS000148 [0,1,0,0,1,0|2,0,0]=4 385 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O R464295 [0,1,0,0,1,0|2,0,0]=4 386 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)Cl PH011762 [0,1,0,0,1,0|2,0,0]=4 387 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)O PH004941 [0,1,0,0,1,0|2,0,0]=4 388 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CDS012430 [0,1,0,0,1,0|0,0,2]=4 389 B13R2.12159 O=S1(=O)C=C(C2=CC=CC=C12)Cl T327751 [0,1,0,0,1,0|2,0,0]=4 390 B15R2.991 CC1=CC2=C(C=CC=C2)C=C(C1=O)C S57895 [0,1,0,0,0,1|2,0,0]=4 391 B15R2.61992 [NH+]1=C(C=C(NC2=C1C=C(C=C2)C)C)C R976865 [0,1,0,0,0,1|2,0,0]=4 392 B15R2.2713 O=CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000558 [0,2,0,0,0,0|2,0,0]=4 393 B15R2.14951 CC1=CC(=CC2=NC=CC=C12)[N+](=O)[O-] T317144 [0,2,0,0,0,0|2,0,0]=4 394 B15R2.21243 CC1=C(C(=NC2=CC=CC=C12)CCl)Cl CDS022420 [0,2,0,0,0,0|2,0,0]=4 395 B15R2.988 O=C1C=C(C2=CC=CC=C2N1)C(=O)O CDS019980 [0,2,0,0,0,0|1,0,1]=4 396 B15R2.4392 CCOC1=CC(=NC2=C1C=CC=C2)N PH000802 [0,2,0,0,0,0|2,0,0]=4 397 B15R2.21211 COC1=CC(=[N+](C2=C1C=CC=C2)C)C S873101 [0,2,0,0,0,0|2,0,0]=4 398 B15R2.22666 CC1=CC=C2C(=CC(=O)OC2=C1)CCl TMT00473 [0,2,0,0,0,0|0,0,0]=2 399 B15R2.22666 CCC1=CC(=O)OC2=C1C=CC(=C2)O R504211 [0,2,0,0,0,0|0,0,0]=2 400 B15R2.89950 CC1=CC2=C(C=C1)OC(=O)C=C2CCl S592218 [0,2,0,0,0,0|0,0,0]=2 401 B15R2.6124 CCN1C(=O)C=C(C2=CC=CC=C12)O T312509 [0,2,0,0,0,0|2,0,0]=4 402 B15R2.6124 CC[N+]1=C(C=C(C2=C1C=CC=C2)C)C S14843 [0,2,0,0,0,0|2,0,0]=4 403 B15R2.6124 COC1=C(C=C(C2=C1C=CC=C2)C)C S13200 [0,2,0,0,0,0|2,0,0]=4 404 B15R2.9032 CC1=C(C2=C(C=CC=C2)C(=C1Cl)C)C S58794 [0,2,0,0,0,0|2,0,0]=4 405 B15R2.9032 CN1C(=O)C(=O)N(C2=CC=CC=C12)C TMT00233 [0,2,0,0,0,0|2,0,0]=4 406 B15R2.63814 CC1=CC2=C(C=C1)N(C(=O)C=C2C)C PH009202 [0,2,0,0,0,0|1,0,0]=3 407 B15R2.20937 COC1=C2N=C(C=C(C2=CC=C1)C)Cl CBR00575 [0,2,0,0,0,0|2,0,0]=4 408 B15R2.59732 CC1=CC(=C2OC(=O)CC(=O)C2=C1)C JRD1484 [0,2,0,0,0,0|1,0,1]=4 409 B15R2.59732 O=C1C=C(C2=C(O1)C(=CC(=C2)Br)Cl)O IDF00091 [0,2,0,0,0,0|1,0,0]=3 410 B15R2.59732 O=C1C=C(C2=C(O1)C(=CC(=C2)Cl)Br)O IDF00092 [0,2,0,0,0,0|1,0,0]=3 411 B15R2.59732 O=C1C=C(C2=CC(=CC(=C2O1)Cl)Cl)O IDF00037 [0,2,0,0,0,0|1,0,0]=3 412 B15R2.63910 CC1=CC(=NC2=C(C(=CC=C12)Br)C)Cl BBO000654 [0,2,0,0,0,0|2,0,0]=4 413 B15R2.63910 CC1=CC(=NC2=C1C=CC(=C2C)Br)O BBO000653 [0,2,0,0,0,0|1,0,1]=4 414 B15R2.274 C(=O)C1=C(C2=C(C=CC=C2)OC1=O)O L481548 [0,2,0,0,0,0|1,0,0]=3 415 B15R2.274 O=C\1NC2=C(C=CC=C2)C(=O)/C1=N/O R260134 [0,2,0,0,0,0|2,0,0]=4 416 B15R2.63893 CC1=C(C2=C(C=C(C=C2)O)OC1=O)C R104418 [0,2,0,0,0,0|0,0,0]=2 417 B15R2.63893 O=C1OC2=C(C=CC(=C2)O)C(=O)C1F R515922 [0,2,0,0,0,0|1,0,1]=4 418 B15R2.21329 CCC1=CC=C2OC(=O)C=C(C2=C1)O JRD1108 [0,2,0,0,0,0|1,0,0]=3 419 B15R2.21329 COC1=CC2=C(C=C1)N=C(C=C2C)Cl BBO000692 [0,2,0,0,0,0|2,0,0]=4 420 B15R2.21329 COC1=CC2=C(C=C1)N=C(C=C2C)O PH003783 [0,2,0,0,0,0|1,0,1]=4 421 B15R2.59733 CC1=C(C=C2C(=CC(=O)OC2=C1)O)C IDF00028 [0,2,0,0,0,0|1,0,0]=3 422 B15R2.59733 CC1=C(C=C2C(=CC(=O)OC2=C1)O)Cl JRD1107 [0,2,0,0,0,0|1,0,0]=3 423 B15R2.59733 CC1=CC(=[O+]C2=C1C=C(C(=C2)O)O)C S192287 [0,2,0,0,0,0|1,0,1]=4 424 B15R2.59733 CC1=CC2=C(C=C(N=C2C=C1N)O)C T319597 [0,2,0,0,0,0|1,0,1]=4 425 B15R2.65793 CC1=CC(=C2C(=CC(=O)OC2=C1)C)O CDS009714 [0,2,0,0,0,0|0,0,0]=2 426 B15R2.65793 CC1=CC(=O)OC2=C1C(=CC(=C2)O)O S416312 [0,2,0,0,0,0|0,0,0]=2 427 B15R2.65793 CC1=CC2=C(C(=C1)C)C(=CC(=N2)O)C T316067 [0,2,0,0,0,0|1,0,1]=4 428 B15R2.65793 CC1=CC2=C(C(=O)N1)C(=CC(=O)O2)C T311456 [0,2,0,0,0,0|1,0,0]=3 429 B15R2.63911 CC1=CC(OC2=CC(=CC=C12)O)(C)C PH002929 [0,2,0,0,0,0|1,0,1]=4 430 B15R2.89396 COC1=CC2=C(C=C1)C(=CC(=O)O2)C T340855 [0,2,0,0,0,0|0,0,0]=2 431 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)Br)C BBO000656 [0,2,0,0,0,0|2,0,0]=4 432 B15R2.89396 COC1=CC=C2C(=CC(=O)NC2=C1)O CVT00065 [0,2,0,0,0,0|2,0,0]=4 433 B15R2.89396 CSC1=CC=C2C(=CC(=NC2=C1)Cl)C CBR00590 [0,2,0,0,0,0|2,0,0]=4 434 B13R2.26 C/C=C/C1=NC2=C(N1)C=CC=C2 S915440 [0,0,1,1,0,0|2,0,0]=4 435 B13R2.10 CC1=CC(=NO1)C2=CC=CC=C2 PH004014 [0,0,1,1,0,0|2,0,0]=4 436 B13R2.10 O=C1C=C(SS1)C2=CC=CC=C2 S409766 [0,0,1,1,0,0|1,1,0]=4 437 B13R2.10 OC1=CC(=NO1)C2=CC=CC=C2 CDS014441 [0,0,1,1,0,0|1,0,1]=4 438 B13R2.10 OC1=NOC(=C1)C2=CC=CC=C2 PH018168 [0,0,1,1,0,0|2,0,0]=4 439 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2C3 S792225 [1,0,0,1,0,0|1,0,1]=4 440 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,0,1,0,1,0|2,0,0]=4 441 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,0,1,0,1,0|1,0,1]=4 442 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,0,1,0,1,0|2,0,0]=4 443 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,0,1,0,1,0|1,0,1]=4 444 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,0,1,0,1,0|1,0,1]=4 445 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,0,1,0,1,0|1,0,1]=4 446 B11R1.107 CC1=CC(=O)C=CCC=CC1 T211575 [0,0,1,0,1,0|0,0,2]=4 447 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,0,1,0|2,0,0]=4 448 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,0,1,0|1,0,1]=4 449 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,0,1,0|2,0,0]=4 450 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,0,1,0|1,1,0]=4 451 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,0,1,0|2,0,0]=4 452 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,0,1,0|1,1,0]=4 453 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,0,1,0|1,1,0]=4 454 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,0,1,0|1,1,0]=4 455 B13R1.42 CC=CC(=O)NCC1=CC=CC=C1 S527947 [0,0,1,0,0,1|1,0,0]=3 456 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,0,1,0,0,1|2,0,0]=4 457 B13R1.90 CCC1=CC=CC=C1OCC(=O)O OTV000239 [0,0,1,0,0,1|1,0,1]=4 458 B13R1.45 C(=C/C(=O)C1=CC=CC=C1)\C(=O)O R152099 [0,0,1,0,0,1|1,0,0]=3 459 B13R1.45 CC(=O)N/N=C(\C)/C1=CC=CC=C1 PH009310 [0,0,1,0,0,1|2,0,0]=4 460 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [0,0,1,0,0,1|0,0,2]=4 461 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,0,1,0,0,1|1,0,1]=4 462 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [1,0,0,0,0,1|1,0,0]=3 463 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [1,0,0,0,0,1|1,0,0]=3