0 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)S1 D47321 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 B37673 [0,0,0,0,0,0|1,1,0]=2 3 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 B10560 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.18 CC1=C(Br)N2N=CC=CC2=N1 B45276 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 I11087 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.18 CC1=NC2=C(C=NC=C2)N1C D49210 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.18 CN1C(=O)NC2=C1C=CC=N2 M62649 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 M62647 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.18 CN1C(Cl)=NC2=C1N=CC=C2 C45298 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,0,0,0,0,0|3,0,0]=3 16 B12R2.18 CN1N=C2C=CC=CC2=C1Br B14973 [0,0,0,0,0,0|3,0,0]=3 17 B12R2.18 CN1N=C2C=CC=CC2=C1I I14461 [0,0,0,0,0,0|3,0,0]=3 18 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 M18676 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,0,0,0,0,0|2,0,1]=3 20 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P9936 [0,0,0,0,0,0|4,0,0]=4 21 B11R2.1 BrC1=C2C=CC=CN2N=C1 B9817 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.1 BrC1=CN=C2C=CC=CN12 B15558 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.1 BrC1=CNC2=C1C=CC=N2 B0249 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.1 BrC1=CNC2=C1C=CN=C2 B1048 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.1 BrC1=CNC2=C1C=NC=C2 B12650 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.1 BrC1=CNC2=CC=CN=C12 B15504 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [1,0,0,0,0,0|1,0,0]=2 28 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [1,0,0,0,0,0|1,1,0]=3 29 B11R2.1 BrC1=CSC2=C1C=CC=N2 B44419 [1,0,0,0,0,0|2,1,0]=4 30 B11R2.1 BrC1=CSC2=C1C=CN=C2 B9453 [1,0,0,0,0,0|2,1,0]=4 31 B11R2.1 BrC1=CSC2=C1C=NC=C2 B9502 [1,0,0,0,0,0|2,1,0]=4 32 B11R2.1 BrC1=CSC2=CC=CN=C12 B12493 [1,0,0,0,0,0|2,1,0]=4 33 B11R2.1 BrC1=NNC2=C1C=CC=C2 B0436 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 BrC1=NOC2=C1C=CC=N2 B41851 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,0,0,0|1,0,0]=2 36 B11R2.1 CC1=CN=C2C=CC=CN12 M0025 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [1,0,0,0,0,0|1,0,0]=2 38 B11R2.1 CC1=CNC2=C1C=NC=C2 M22503 [1,0,0,0,0,0|2,0,0]=3 39 B11R2.1 CC1=CNC2=NC=CC=C12 M7858 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [1,0,0,0,0,0|2,0,0]=3 41 B11R2.1 CC1=NNC2=C1C=CN=C2 M12615 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.1 CC1=NNC2=C1C=NC=C2 M14280 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.1 CC1=NNC2=CC=CN=C21 M0543 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.1 CC1=NNC2=NC=CC=C12 M0532 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [1,0,0,0,0,0|1,0,0]=2 46 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,0,0,0,0,0|2,0,0]=3 47 B11R2.1 CN1C=CC2=NC=CC=C21 M36638 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.1 ClC1=C2C=CC=CN2N=C1 C44777 [1,0,0,0,0,0|3,0,0]=4 51 B11R2.1 ClC1=CNC2=C1C=CC=N2 C1529 [1,0,0,0,0,0|3,0,0]=4 52 B11R2.1 ClC1=NNC2=C1C=CC=C2 C44767 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.1 ClC1=NOC2=C1C=CC=C2 C44531 [1,0,0,0,0,0|2,0,0]=3 54 B11R2.1 ClC1=NOC2=CC=CN=C21 C41855 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.1 ClC1=NSC2=C1C=CC=C2 C25325 [1,0,0,0,0,0|2,1,0]=4 56 B11R2.1 FC1=CNC2=C1C=CC=N2 F18191 [1,0,0,0,0,0|3,0,0]=4 57 B11R2.1 FC1=NNC2=C1C=CC=C2 F39022 [1,0,0,0,0,0|3,0,0]=4 58 B11R2.1 IC1=CN=C2C=CC=CN12 K44805 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.1 IC1=CNC2=C1C=CC=N2 K3799 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.1 IC1=CNC2=C1C=CN=C2 I3239 [1,0,0,0,0,0|3,0,0]=4 61 B11R2.1 IC1=CNC2=C1C=NC=C2 I15557 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.1 IC1=CNC2=CC=CN=C12 K44806 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.1 IC1=NNC2=C1C=CC=C2 X9686 [1,0,0,0,0,0|3,0,0]=4 64 B11R2.1 NC1=CN=C2C=CC=CN12 I12078 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.1 NC1=CNC2=NC=CC=C12 A3801 [1,0,0,0,0,0|3,0,0]=4 66 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [1,0,0,0,0,0|3,0,0]=4 67 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.1 NC1=NOC2=C1C=CC=C2 B45214 [1,0,0,0,0,0|2,0,0]=3 69 B11R2.1 NC1=NOC2=C1C=CN=C2 K42473 [1,0,0,0,0,0|3,0,0]=4 70 B11R2.1 NC1=NOC2=C1N=CC=C2 A11385 [1,0,0,0,0,0|3,0,0]=4 71 B11R2.1 NC1=NOC2=NC=CC=C12 K42472 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.1 NC1=NSC2=C1C=CC=C2 B69175 [1,0,0,0,0,0|2,1,0]=4 73 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.1 O=C1COC2=C1C=CN=C2 F37015 [1,0,0,0,0,0|2,0,1]=4 75 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [1,0,0,0,0,0|3,0,0]=4 76 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [1,0,0,0,0,0|3,0,0]=4 77 B11R2.1 OC1=COC2=C1N=CC=C2 F32399 [1,0,0,0,0,0|2,0,0]=3 78 B11R2.10 BrC1=CC2=C(C=CC=C2)C1 B51041 [1,0,0,0,0,0|2,0,0]=3 79 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 B47828 [1,0,0,0,0,0|1,0,0]=2 80 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 B47534 [1,0,0,0,0,0|1,1,0]=3 81 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 B69716 [1,0,0,0,0,0|3,0,0]=4 82 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 B16458 [1,0,0,0,0,0|3,0,0]=4 83 B11R2.10 BrC1=CN2C=CC=CC2=N1 B16658 [1,0,0,0,0,0|3,0,0]=4 84 B11R2.10 BrC1=NC2=C(C=CC=C2)N1 B36657 [1,0,0,0,0,0|3,0,0]=4 85 B11R2.10 BrC1=NC2=C(C=CC=C2)S1 B44414 [1,0,0,0,0,0|2,1,0]=4 86 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [1,0,0,0,0,0|1,0,0]=2 87 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [1,0,0,0,0,0|1,0,0]=2 88 B11R2.10 CC1=CC2=C(C=CC=C2)S1 M51663 [1,0,0,0,0,0|0,1,0]=2 89 B11R2.10 CC1=CC2=C(C=CN=C2)N1 M14784 [1,0,0,0,0,0|2,0,0]=3 90 B11R2.10 CC1=CC2=C(C=NC=C2)N1 M12631 [1,0,0,0,0,0|2,0,0]=3 91 B11R2.10 CC1=CC2=CC=CN=C2N1 M0598 [1,0,0,0,0,0|2,0,0]=3 92 B11R2.10 CC1=CC2=CN=CN=C2N1 M11115 [1,0,0,0,0,0|3,0,0]=4 93 B11R2.10 CC1=CC2=NC=CC=C2N1 M25103 [1,0,0,0,0,0|2,0,0]=3 94 B11R2.10 CC1=CC2=NC=CN=C2N1 M60205 [1,0,0,0,0,0|3,0,0]=4 95 B11R2.10 CC1=NC2=C(C=CC=C2)O1 M63131 [1,0,0,0,0,0|1,0,0]=2 96 B11R2.10 CC1=NC2=C(C=CC=C2)S1 M39486 [1,0,0,0,0,0|1,1,0]=3 97 B11R2.10 CC1=NC2=C(C=CC=N2)O1 M38652 [1,0,0,0,0,0|2,0,0]=3 98 B11R2.10 CC1=NC2=NC=CC=C2N1 M45728 [1,0,0,0,0,0|3,0,0]=4 99 B11R2.10 CN1C=C2C=CC=CC2=N1 M14460 [1,0,0,0,0,0|2,0,0]=3 100 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [1,0,0,0,0,0|1,0,2]=4 101 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [1,0,0,0,0,0|1,0,2]=4 102 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 C47956 [1,0,0,0,0,0|2,0,0]=3 103 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 C39352 [1,0,0,0,0,0|3,0,0]=4 104 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 C44527 [1,0,0,0,0,0|2,0,0]=3 105 B11R2.10 ClC1=NC2=C(C=CC=C2)S1 C39328 [1,0,0,0,0,0|2,1,0]=4 106 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C38306 [1,0,0,0,0,0|3,0,0]=4 107 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C41854 [1,0,0,0,0,0|3,0,0]=4 108 B11R2.10 IC1=CC2=C(C=CC=C2)N1 K47983 [1,0,0,0,0,0|2,0,0]=3 109 B11R2.10 IC1=CC2=C(C=CN=C2)N1 I37324 [1,0,0,0,0,0|3,0,0]=4 110 B11R2.10 IC1=CC2=C(N=CC=C2)N1 I8108 [1,0,0,0,0,0|3,0,0]=4 111 B11R2.10 IC1=NC2=C(C=CC=C2)S1 K44444 [1,0,0,0,0,0|2,1,0]=4 112 B11R2.10 NC1=CC2=C(C=CC=C2)S1 B39092 [1,0,0,0,0,0|1,1,0]=3 113 B11R2.10 NC1=NC2=C(C=CC=C2)N1 K64925 [1,0,0,0,0,0|3,0,0]=4 114 B11R2.10 NC1=NC2=C(C=CC=C2)O1 B45208 [1,0,0,0,0,0|2,0,0]=3 115 B11R2.10 NC1=NC2=C(C=CN=C2)O1 X42470 [1,0,0,0,0,0|3,0,0]=4 116 B11R2.10 NC1=NC2=C(C=NC=C2)O1 X42471 [1,0,0,0,0,0|3,0,0]=4 117 B11R2.10 O=C1C=C2C=CC=CN2N1 P45223 [1,0,0,0,0,0|3,0,0]=4 118 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [1,0,0,0,0,0|2,0,1]=4 119 B11R2.10 O=C1NC2=C(C=CC=C2)N1 H67954 [1,0,0,0,0,0|3,0,0]=4 120 B11R2.10 O=C1NC2=C(C=CC=N2)O1 X39239 [1,0,0,0,0,0|3,0,0]=4 121 B11R2.10 O=C1OC2=C(C=CC=C2)O1 B44621 [1,0,0,0,0,0|2,0,0]=3 122 B11R2.10 OC1=CN2C=CC=CC2=N1 K45215 [1,0,0,0,0,0|3,0,0]=4 123 B11R2.10 S=C1NC2=C(C=CC=C2)N1 B69662 [1,0,0,0,0,0|3,0,0]=4 124 B11R2.10 S=C1NC2=C(C=CC=C2)S1 B69039 [1,0,0,0,0,0|2,1,0]=4 125 B11R2.10 S=C1NC2=C(C=CC=N2)O1 X42139 [1,0,0,0,0,0|3,0,0]=4 126 B11R2.10 SC1=NC2=C(C=CC=N2)O1 X42137 [1,0,0,0,0,0|3,0,0]=4 127 B13R2.45 CC1=C(C#N)NC2=C1C=CC=C2 M53633 [0,1,0,0,0,0|1,0,1]=3 128 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 M61458 [0,1,0,0,0,0|1,0,1]=3 129 B13R2.45 CC1=C(C=O)OC2=C1C=CC=C2 M53796 [0,1,0,0,0,0|0,0,1]=2 130 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 M53907 [0,1,0,0,0,0|2,0,1]=4 131 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 M28682 [0,1,0,0,0,0|2,0,1]=4 132 B13R2.135 CC1=C(C#N)C2=C(C=CC=C2)N1 M38858 [0,1,0,0,0,0|1,0,1]=3 133 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 M53912 [0,1,0,0,0,0|1,0,1]=3 134 B13R2.135 CC1=C(C=O)C2=C(N=CC=C2)N1 M25752 [0,1,0,0,0,0|2,0,1]=4 135 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 E54600 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.135 CN1N=C2C=CC=CC2=C1CO M11747 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 B50785 [0,1,0,0,0,0|1,1,1]=4 138 B13R2.135 O=CC1=C(Cl)NC2=C1C=CC=C2 C50937 [0,1,0,0,0,0|2,0,1]=4 139 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 D22066 [0,1,0,0,0,0|2,0,1]=4 140 B13R2.359 CC1=NC2=C(C=CC=C2)C1(C)C T68852 [0,1,0,0,0,0|1,0,1]=3 141 B13R2.3028 CC1=C(C)C2=C(C=CC(Br)=C2)N1 B52353 [0,1,0,0,0,0|1,0,0]=2 142 B13R2.3028 CC1=C(C)C2=C(C=CC(Cl)=C2)N1 C52359 [0,1,0,0,0,0|1,0,0]=2 143 B13R2.3028 CC1=C(C)C2=C(C=CC(F)=C2)N1 F52361 [0,1,0,0,0,0|1,0,0]=2 144 B13R2.3028 CC1=C2C=C(Br)C=CC2=NN1C B10379 [0,1,0,0,0,0|2,0,0]=3 145 B13R2.3028 CC1=C2C=C(N)C=CC2=NN1C A12550 [0,1,0,0,0,0|2,0,0]=3 146 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O M68330 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.3028 CC1=NC2=C(C=C(Br)C=C2)N1C B63221 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.3028 CN1C(=O)CC2=C1C=C(Br)C=C2 B26299 [0,1,0,0,0,0|3,0,0]=4 149 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 A0124 [0,1,0,0,0,0|3,0,0]=4 150 B13R2.3028 CN1C(=O)NC2=C1C=C(Br)C=C2 B48367 [0,1,0,0,0,0|3,0,0]=4 151 B13R2.3028 CN1CC2=C(C=C(Br)C=C2)C1=O B51512 [0,1,0,0,0,0|3,0,0]=4 152 B13R2.3028 CN1CC2=C(C=C(N)C=C2)C1=O A0013 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.3028 CN1CC2=C(C=C(O)C=C2)C1=O H51782 [0,1,0,0,0,0|3,0,0]=4 154 B13R2.3028 C[C@H]1CC2=C(C=C(Cl)C=C2)C1=O C54054 [0,1,0,0,0,0|2,0,1]=4 155 B13R2.3028 NC1=CC2=C(C=C1)SC(Cl)=C2Br B64564 [0,1,0,0,0,0|2,1,0]=4 156 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O B67844 [0,1,0,0,0,0|3,0,0]=4 157 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O C64901 [0,1,0,0,0,0|3,0,0]=4 158 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O F28487 [0,1,0,0,0,0|3,0,0]=4 159 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O K61448 [0,1,0,0,0,0|3,0,0]=4 160 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 M61712 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 D49726 [0,1,0,0,0,0|3,0,0]=4 162 B13R2.3085 O=C1C(=O)C2=C(C=CC=C2)C1=O T69116 [0,1,0,0,0,0|3,0,0]=4 163 B13R2.4825 CC1=C2C=CC=C(Br)C2=NN1C B10396 [0,1,0,0,0,0|2,0,0]=3 164 B13R2.4825 CC1=C2C=CC=C(N)C2=NN1C D60270 [0,1,0,0,0,0|2,0,0]=3 165 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O M37436 [0,1,0,0,0,0|3,0,0]=4 166 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C B63349 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 B3855 [0,1,0,0,0,0|3,0,0]=4 168 B13R2.4825 CN1CC2=C(Br)C=CC=C2C1=O B51510 [0,1,0,0,0,0|3,0,0]=4 169 B13R2.4825 CN1CC2=C(C=CC=C2N)C1=O A11582 [0,1,0,0,0,0|3,0,0]=4 170 B13R2.4825 C[C@@H]1C(=O)NC2=C(Br)C=CC=C21 B61898 [0,1,0,0,0,0|2,0,1]=4 171 B13R2.4825 C[C@H]1CC2=C(Br)C=CC=C2C1=O B54047 [0,1,0,0,0,0|2,0,1]=4 172 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O B47383 [0,1,0,0,0,0|3,0,0]=4 173 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O C47391 [0,1,0,0,0,0|3,0,0]=4 174 B13R2.4856 CC1=C(C)C2=C(N=CNC2=O)S1 D48847 [0,1,0,0,0,0|2,1,0]=4 175 B13R2.4856 CC1=C2C(Br)=CC=CC2=NN1C B16850 [0,1,0,0,0,0|2,0,0]=3 176 B13R2.4856 CC1=C2C(N)=CC=CC2=NN1C D60269 [0,1,0,0,0,0|2,0,0]=3 177 B13R2.4856 CC1=CC=CC2=C1N(C)C(N)=N2 D49999 [0,1,0,0,0,0|3,0,0]=4 178 B13R2.4856 CN1CC2=CC=CC(N)=C2C1=O A14680 [0,1,0,0,0,0|3,0,0]=4 179 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O B47382 [0,1,0,0,0,0|3,0,0]=4 180 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O C47390 [0,1,0,0,0,0|3,0,0]=4 181 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O F69164 [0,1,0,0,0,0|3,0,0]=4 182 B13R2.5190 CC1=C2C=CC(Br)=CC2=NN1C B10378 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.5190 CC1=C2C=CC(I)=CC2=NN1C D7613 [0,1,0,0,0,0|2,0,0]=3 184 B13R2.5190 CC1=C2C=CC(N)=CC2=NN1C A0237 [0,1,0,0,0,0|2,0,0]=3 185 B13R2.5190 CC1=C2C=CC(N)=CC2=NN1C D29898 [0,1,0,0,0,0|2,0,0]=3 186 B13R2.5190 CC1=CC2=C(C=C1)N(C)C(N)=N2 D49998 [0,1,0,0,0,0|3,0,0]=4 187 B13R2.5190 CC1=CC2=C(C=CC(O)=C2)N1C D63491 [0,1,0,0,0,0|2,0,0]=3 188 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C D63292 [0,1,0,0,0,0|2,0,0]=3 189 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 B22286 [0,1,0,0,0,0|3,0,0]=4 190 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 A12401 [0,1,0,0,0,0|3,0,0]=4 191 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 A49215 [0,1,0,0,0,0|3,0,0]=4 192 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 B47991 [0,1,0,0,0,0|2,0,0]=3 193 B13R2.5190 CN1CC2=C(C=CC(Br)=C2)C1=O B51511 [0,1,0,0,0,0|3,0,0]=4 194 B13R2.5190 CN1CC2=C(C=CC(N)=C2)C1=O A0245 [0,1,0,0,0,0|3,0,0]=4 195 B13R2.5190 CN1N=C2C=C(Br)C=CC2=C1Cl B29573 [0,1,0,0,0,0|3,0,0]=4 196 B13R2.5190 C[C@@H]1C(=O)NC2=C1C=CC(Br)=C2 B51506 [0,1,0,0,0,0|2,0,1]=4 197 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O C54053 [0,1,0,0,0,0|2,0,1]=4 198 B13R2.5190 C[C@H]1CC2=C(C=CC(F)=C2)C1=O F54060 [0,1,0,0,0,0|2,0,1]=4 199 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O B9750 [0,1,0,0,0,0|3,0,0]=4 200 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O C38431 [0,1,0,0,0,0|3,0,0]=4 201 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O F47400 [0,1,0,0,0,0|3,0,0]=4 202 B13R2.5190 O=C1NC2=C(C=CC(I)=C2)C1=O K47409 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,0,1,0,0,0|1,0,1]=3 204 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,0,1,0,0,0|1,0,1]=3 205 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [0,0,1,0,0,0|2,0,1]=4 206 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,0,1,0,0,0|1,0,1]=3 207 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,0,1,0,0,0|1,0,2]=4 208 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,0,1,0,0,0|1,0,2]=4 209 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [0,0,1,0,0,0|2,0,1]=4 210 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,0,1,0,0,0|1,0,1]=3 211 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,0,1,0,0,0|1,0,2]=4 212 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,0,1,0,0,0|1,0,2]=4 213 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,0,1,0,0,0|2,0,1]=4 214 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,0,1,0,0,0|2,0,1]=4 215 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,0,1,0,0,0|2,0,1]=4 216 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,0,1,0,0,0|2,0,1]=4 217 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,0,1,0,0,0|2,0,1]=4 218 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,0,1,0,0,0|1,0,1]=3 219 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,0,1,0,0,0|2,0,0]=3 220 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,0,1,0,0,0|2,0,1]=4 221 B11R1.41 CCOC1=C(C=O)C=NC=C1 E49273 [0,0,1,0,0,0|2,0,1]=4 222 B11R1.41 CNCC1=C(OC)C=CC=C1 M50356 [0,0,1,0,0,0|3,0,0]=4 223 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [0,0,1,0,0,0|2,0,1]=4 224 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [0,0,1,0,0,0|2,0,1]=4 225 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [0,0,1,0,0,0|1,0,1]=3 226 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,0,1,0,0,0|1,0,2]=4 227 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,0,1,0,0,0|1,0,2]=4 228 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [0,0,1,0,0,0|3,0,0]=4 229 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [0,0,1,0,0,0|3,0,0]=4 230 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [0,0,1,0,0,0|2,0,0]=3 231 B11R1.222 CNC(=O)C1=NC=CC=C1O H46003 [0,0,1,0,0,0|3,0,0]=4 232 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [0,0,1,0,0,0|3,0,0]=4 233 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [0,0,1,0,0,0|3,0,0]=4 234 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [0,0,1,0,0,0|3,0,0]=4 235 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [0,0,1,0,0,0|3,0,0]=4 236 B11R1.222 COC(=O)C1=C(O)C=NC=C1 M15996 [0,0,1,0,0,0|3,0,0]=4 237 B11R1.222 COC(=O)C1=C(O)N=CC=C1 M38592 [0,0,1,0,0,0|3,0,0]=4 238 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [0,0,1,0,0,0|2,1,0]=4 239 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [0,0,1,0,0,0|2,0,1]=4 240 B13R2.32 CC1=C(Br)C=CC2=CC=CN=C21 B53711 [0,0,0,0,0,1|3,0,0]=4 241 B13R2.32 CC1=C(Br)C=CC2=NC=CC=C21 B53707 [0,0,0,0,0,1|3,0,0]=4 242 B13R2.32 CC1=C(Br)C=NC2=CC=CC=C21 B53702 [0,0,0,0,0,1|2,0,0]=3 243 B13R2.32 CC1=C(Cl)C2=CC=CC=C2N=C1 C24644 [0,0,0,0,0,1|2,0,0]=3 244 B13R2.32 CC1=C(Cl)C=CC2=CC=CN=C21 C53728 [0,0,0,0,0,1|3,0,0]=4 245 B13R2.32 CC1=C(O)C2=CC=CN=C2C=C1 M53899 [0,0,0,0,0,1|3,0,0]=4 246 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 M53894 [0,0,0,0,0,1|2,0,0]=3 247 B13R2.32 CC1=C([Mg+])C2=CC=CC=C2C=C1 M31716 [0,0,0,0,0,1|2,0,0]=3 248 B13R2.32 CN1C=CC2=C(C=CC=C2)C1=O M53906 [0,0,0,0,0,1|3,0,0]=4 249 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [0,0,0,0,0,1|2,0,1]=4 250 B13R2.32 ClC1=C(Br)C=NC2=CC=CC=C21 B38667 [0,0,0,0,0,1|3,0,0]=4 251 B13R2.32 ClC1=C(I)C=NC2=CC=CC=C21 C6470 [0,0,0,0,0,1|3,0,0]=4 252 B13R2.32 NC1=C(Br)C=NC2=CC=CC=C21 A51052 [0,0,0,0,0,1|3,0,0]=4 253 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 C62029 [0,0,0,0,0,1|3,0,0]=4 254 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 C51078 [0,0,0,0,0,1|3,0,0]=4 255 B13R2.32 NC1=C(N)C2=CC=CC=C2N=C1 Q66279 [0,0,0,0,0,1|3,0,0]=4 256 B13R2.32 NC1=C(O)C2=CC=CC=C2N=C1 A51341 [0,0,0,0,0,1|3,0,0]=4 257 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 B39639 [0,0,0,0,0,1|3,0,0]=4 258 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 B67708 [0,0,0,0,0,1|3,0,0]=4 259 B13R2.32 OC1=C(Br)N=NC2=CC=CC=C21 B61477 [0,0,0,0,0,1|3,0,0]=4 260 B13R2.32 OC1=C(Cl)C2=CC=CC=C2C=C1 C38681 [0,0,0,0,0,1|3,0,0]=4 261 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 K53627 [0,0,0,0,0,1|3,0,0]=4 262 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 I6887 [0,0,0,0,0,1|3,0,0]=4 263 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 D9735 [0,0,0,0,0,1|3,0,0]=4 264 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)N1 M53903 [0,0,0,0,0,1|2,0,0]=3 265 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 B53700 [0,0,0,0,0,1|2,0,0]=3 266 B13R2.328 CC1=CC(C)=NC2=CC=CC=C12 D54369 [0,0,0,0,0,1|1,0,0]=2 267 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 C9556 [0,0,0,0,0,1|2,0,0]=3 268 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 M38860 [0,0,0,0,0,1|2,0,0]=3 269 B13R2.328 CC1=CC2=CC=CN=C2C(Cl)=C1 C53729 [0,0,0,0,0,1|3,0,0]=4 270 B13R2.328 CC1=CC2=CC=CN=C2C(O)=C1 M53900 [0,0,0,0,0,1|3,0,0]=4 271 B13R2.328 CC1=CC2=NC=CC=C2C(Br)=C1 B37209 [0,0,0,0,0,1|3,0,0]=4 272 B13R2.328 CC1=NC(Cl)=NC2=CC=CC=C21 C39007 [0,0,0,0,0,1|2,0,0]=3 273 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M51186 [0,0,0,0,0,1|2,0,0]=3 274 B13R2.328 CC1=NC2=CC=CC=C2C(Br)=C1 B53703 [0,0,0,0,0,1|2,0,0]=3 275 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 D52275 [0,0,0,0,0,1|1,0,0]=2 276 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 C53725 [0,0,0,0,0,1|2,0,0]=3 277 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=N1 C51086 [0,0,0,0,0,1|2,0,0]=3 278 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 M69060 [0,0,0,0,0,1|2,0,0]=3 279 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 M60829 [0,0,0,0,0,1|2,0,0]=3 280 B13R2.328 CC1=NC2=CC=CC=C2C(O)=N1 M61591 [0,0,0,0,0,1|2,0,0]=3 281 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 D54824 [0,0,0,0,0,1|1,0,2]=4 282 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 D9344 [0,0,0,0,0,1|3,0,0]=4 283 B13R2.328 ClC1=CC2=CC=CC=C2C(Cl)=N1 D5656 [0,0,0,0,0,1|3,0,0]=4 284 B13R2.328 ClC1=NC2=CC=CC=C2C(Cl)=N1 D47332 [0,0,0,0,0,1|3,0,0]=4 285 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 A51343 [0,0,0,0,0,1|3,0,0]=4 286 B13R2.328 NC1=CC(Br)=NC2=CC=CC=C12 B51046 [0,0,0,0,0,1|3,0,0]=4 287 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 C51069 [0,0,0,0,0,1|3,0,0]=4 288 B13R2.328 NC1=NC(Cl)=CC2=CC=CC=C21 C51077 [0,0,0,0,0,1|3,0,0]=4 289 B13R2.328 NC1=NC(Cl)=NC2=CC=CC=C21 C47920 [0,0,0,0,0,1|3,0,0]=4 290 B13R2.328 NC1=NC2=CC=CC=C2C(Br)=C1 B51048 [0,0,0,0,0,1|3,0,0]=4 291 B13R2.328 NC1=NC2=CC=CC=C2C(O)=C1 A68849 [0,0,0,0,0,1|3,0,0]=4 292 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 B38904 [0,0,0,0,0,1|3,0,0]=4 293 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 C50932 [0,0,0,0,0,1|3,0,0]=4 294 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 C63746 [0,0,0,0,0,1|2,0,0]=3 295 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 D69317 [0,0,0,0,0,1|3,0,0]=4 296 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)N1 Q51171 [0,0,0,0,0,1|3,0,0]=4 297 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Q67745 [0,0,0,0,0,1|3,0,0]=4 298 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [0,0,0,0,0,1|3,0,0]=4 299 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 T62223 [0,0,0,0,0,1|3,0,0]=4 300 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [0,0,0,0,0,1|3,0,0]=4 301 B13R2.328 OC1=CC(Br)=CC2=CC=CC=C12 B61353 [0,0,0,0,0,1|3,0,0]=4 302 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 B53616 [0,0,0,0,0,1|3,0,0]=4 303 B13R2.328 OC1=CC2=CC=CC=C2C(O)=C1 N60644 [0,0,0,0,0,1|3,0,0]=4 304 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br D11891 [0,0,0,0,0,1|3,0,0]=4 305 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br D12593 [0,0,0,0,0,1|3,0,0]=4 306 B13R2.369 CC1=C(N)C=C2N=CC=CC2=C1 M52277 [0,0,0,0,0,1|3,0,0]=4 307 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl C53724 [0,0,0,0,0,1|2,0,0]=3 308 B13R2.369 CC1=CC2=NC=CC=C2C=C1Br B53708 [0,0,0,0,0,1|3,0,0]=4 309 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br B60030 [0,0,0,0,0,1|2,0,0]=3 310 B13R2.369 CC1=NC2=CC=CC=C2C=C1N M38253 [0,0,0,0,0,1|2,0,0]=3 311 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl C51083 [0,0,0,0,0,1|2,0,0]=3 312 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O M0672 [0,0,0,0,0,1|2,0,1]=4 313 B13R2.369 C[C@@H]1OC2=C(C=CC=C2)NC1=O M51787 [0,0,0,0,0,1|1,0,1]=3 314 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl D50728 [0,0,0,0,0,1|3,0,0]=4 315 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br B0520 [0,0,0,0,0,1|3,0,0]=4 316 B13R2.369 ClC1=NC2=CC=CC=C2N=C1Cl D22428 [0,0,0,0,0,1|3,0,0]=4 317 B13R2.369 NC1=CC2=CC=CC=C2C=C1I K53740 [0,0,0,0,0,1|3,0,0]=4 318 B13R2.369 NC1=NC2=C(C=CC=C2)OC1=O A7976 [0,0,0,0,0,1|2,0,0]=3 319 B13R2.369 NC1=NC2=CC=CC=C2C=C1Br B38777 [0,0,0,0,0,1|3,0,0]=4 320 B13R2.369 NC1=NC2=CC=CC=C2N=C1Cl C1403 [0,0,0,0,0,1|3,0,0]=4 321 B13R2.369 NC1=NC2=CC=CC=C2N=C1N Q48862 [0,0,0,0,0,1|3,0,0]=4 322 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl C11394 [0,0,0,0,0,1|3,0,0]=4 323 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O H47728 [0,0,0,0,0,1|2,0,0]=3 324 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl C18445 [0,0,0,0,0,1|3,0,0]=4 325 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,0,1,0,0,0|0,0,2]=4 326 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,0,1,0,0,0|1,0,1]=4 327 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,0,1,0,0,0|1,0,1]=4 328 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,0,1,0,0,0|1,0,1]=4 329 B10R1.15 C\C(=N\O)C1=NC=CC=C1 M66365 [1,0,1,0,0,0|2,0,0]=4 330 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [1,0,1,0,0,0|1,0,1]=4 331 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [1,0,1,0,0,0|1,0,1]=4 332 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,1,0,0,0|1,0,1]=4 333 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,1,0,0,0|1,0,0]=3 334 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,0,1,0,0,0|1,0,1]=4 335 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [1,0,1,0,0,0|1,0,1]=4 336 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [1,0,1,0,0,0|1,0,1]=4 337 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,0,1,0,0,0|2,0,0]=4 338 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [1,0,1,0,0,0|2,0,0]=4 339 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,0,1,0,0,0|0,0,2]=4 340 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,0,1,0,0,0|0,0,2]=4 341 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,0,1,0,0,0|1,0,1]=4 342 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,0,1,0,0,0|2,0,0]=4 343 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,0,1,0,0,0|1,0,1]=4 344 B10R1.20 C#CC1=C(OC)C=CC=C1 E38630 [1,0,1,0,0,0|0,0,2]=4 345 B10R1.20 C=CC1=C(C=O)C=CC=C1 V51543 [1,0,1,0,0,0|1,0,1]=4 346 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [1,0,1,0,0,0|1,0,1]=4 347 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [1,0,1,0,0,0|2,0,0]=4 348 B10R1.20 CNC1=C(NC)C=CC=C1 D46973 [1,0,1,0,0,0|2,0,0]=4 349 B10R1.20 CNC1=C(OC)C=CC=C1 M46897 [1,0,1,0,0,0|1,0,0]=3 350 B10R1.20 COC1=C(C#N)C=CC=C1 M67889 [1,0,1,0,0,0|1,0,1]=4 351 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [1,0,1,0,0,0|1,0,0]=3 352 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [1,0,1,0,0,0|2,0,0]=4 353 B10R1.20 COC1=C(C=O)C=CN=C1 M32191 [1,0,1,0,0,0|2,0,0]=4 354 B10R1.20 COC1=C(C=O)C=NC=C1 M45822 [1,0,1,0,0,0|2,0,0]=4 355 B10R1.20 COC1=C(CN)C=CC=C1 M46906 [1,0,1,0,0,0|1,0,1]=4 356 B10R1.20 COC1=C(OC)C=CC=C1 D64830 [1,0,1,0,0,0|1,0,0]=3 357 B10R1.20 COC1=C(OC)C=NC=C1 D37489 [1,0,1,0,0,0|2,0,0]=4 358 B10R1.20 COC1=CC=CN=C1C=O M3691 [1,0,1,0,0,0|2,0,0]=4 359 B10R1.20 COC1=CC=CN=C1OC D1095 [1,0,1,0,0,0|2,0,0]=4 360 B10R1.20 O=CC1=C(C=O)C=CC=C1 B68577 [1,0,1,0,0,0|2,0,0]=4 361 B10R1.16 CC1=CC=C(C=CC=O)O1 M49076 [1,0,1,0,0,0|1,0,0]=3 362 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [1,0,1,0,0,0|1,0,0]=3 363 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [1,0,1,0,0,0|2,0,0]=4 364 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [1,0,1,0,0,0|2,0,0]=4 365 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [1,0,1,0,0,0|2,0,0]=4 366 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [1,0,1,0,0,0|2,0,0]=4 367 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [1,0,1,0,0,0|2,0,0]=4 368 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [1,0,1,0,0,0|2,0,0]=4 369 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [1,0,1,0,0,0|2,0,0]=4 370 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [1,0,1,0,0,0|2,0,0]=4 371 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [1,0,1,0,0,0|1,0,1]=4 372 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [1,0,1,0,0,0|1,0,1]=4 373 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [1,0,1,0,0,0|1,0,1]=4 374 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [1,0,1,0,0,0|2,0,0]=4 375 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [1,0,1,0,0,0|2,0,0]=4 376 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [1,0,1,0,0,0|2,0,0]=4 377 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [1,0,1,0,0,0|1,0,0]=3 378 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [2,0,0,0,0,0|2,0,0]=4 379 B10R2.7 C1=CC2=C(C=C1)NN=C2 I14459 [2,0,0,0,0,0|2,0,0]=4 380 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [2,0,0,0,0,0|1,0,0]=3 381 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [2,0,0,0,0,0|0,0,2]=4 382 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [2,0,0,0,0,0|1,0,1]=4 383 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [2,0,0,0,0,0|1,1,0]=4 384 B10R2.7 C1=CC2=C(C=CN2)C=N1 A3184 [2,0,0,0,0,0|2,0,0]=4 385 B10R2.7 C1=CC2=C(C=CO2)N=C1 F10431 [2,0,0,0,0,0|1,0,0]=3 386 B10R2.7 C1=CC2=C(C=CS2)N=C1 T14110 [2,0,0,0,0,0|1,1,0]=4 387 B10R2.7 C1=CC2=C(C=N1)N=CO2 X42084 [2,0,0,0,0,0|2,0,0]=4 388 B10R2.7 C1=CC2=C(C=N1)NC=C2 A2957 [2,0,0,0,0,0|2,0,0]=4 389 B10R2.7 C1=CC2=C(C=N1)OC=C2 F3036 [2,0,0,0,0,0|1,0,0]=3 390 B10R2.7 C1=CC2=C(C=N1)SC=C2 T3035 [2,0,0,0,0,0|1,1,0]=4 391 B10R2.7 C1=CC2=C(N=C1)N=CO2 X42083 [2,0,0,0,0,0|2,0,0]=4 392 B10R2.7 C1=CC2=CC=NN2C=C1 P64401 [2,0,0,0,0,0|2,0,0]=4 393 B10R2.7 C1=CC2=NC=CN2C=C1 I5954 [2,0,0,0,0,0|2,0,0]=4 394 B10R2.7 C1=CN=C2C=CNC2=C1 A2958 [2,0,0,0,0,0|2,0,0]=4 395 B10R2.7 C1=CN=C2NC=CC2=C1 A4765 [2,0,0,0,0,0|2,0,0]=4 396 B10R2.7 C1=CN=C2OC=NC2=C1 X42085 [2,0,0,0,0,0|2,0,0]=4 397 B10R2.7 C1=CN=C2SC=CC2=C1 T67796 [2,0,0,0,0,0|1,1,0]=4 398 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,1,1,0,0,0|1,0,1]=4 399 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,1,1,0,0,0|1,0,1]=4 400 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,1,1,0,0,0|1,0,1]=4 401 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 B47800 [0,1,1,0,0,0|2,0,0]=4 402 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 C47803 [0,1,1,0,0,0|2,0,0]=4 403 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 F47808 [0,1,1,0,0,0|2,0,0]=4 404 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M61037 [0,1,1,0,0,0|1,0,1]=4 405 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,1,1,0,0,0|0,0,2]=4 406 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [0,1,1,0,0,0|2,0,0]=4 407 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,1,1,0,0,0|1,0,1]=4 408 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [0,1,1,0,0,0|1,0,1]=4 409 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 B47799 [0,1,1,0,0,0|2,0,0]=4 410 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 F62229 [0,1,1,0,0,0|2,0,0]=4 411 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 M39605 [0,1,1,0,0,0|1,0,1]=4 412 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 A50055 [0,1,1,0,0,0|1,0,1]=4 413 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,1,1,0,0,0|1,0,1]=4 414 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,1,1,0,0,0|1,0,1]=4 415 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,1,0,0,0|1,0,1]=4 416 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,1,1,0,0,0|1,0,1]=4 417 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,1,1,0,0,0|1,0,1]=4 418 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [0,1,1,0,0,0|1,0,1]=4 419 B12R1.75 C=CC1=C(OC(C)C)C=CC=C1 P54756 [0,1,1,0,0,0|0,0,2]=4 420 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 B51880 [0,1,1,0,0,0|1,0,1]=4 421 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 M69051 [0,1,1,0,0,0|2,0,0]=4 422 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 A52429 [0,1,1,0,0,0|1,0,1]=4 423 B12R1.121 CCCOC1=C(C=O)C=CC=C1 P62564 [0,1,1,0,0,0|1,0,1]=4 424 B12R1.121 COC1=C(OCCBr)C=CC=C1 B50122 [0,1,1,0,0,0|1,0,1]=4 425 B12R1.121 COC1=C(OCCN)C=CC=C1 M39585 [0,1,1,0,0,0|1,0,1]=4 426 B12R1.121 COC1=C(OCCN)C=CC=C1 M50361 [0,1,1,0,0,0|1,0,1]=4 427 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 E52131 [0,1,1,0,0,0|1,0,1]=4 428 B12R1.24 COC(=O)C1=CC=CC(Br)=C1O M48644 [0,1,1,0,0,0|2,0,0]=4 429 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1O M48661 [0,1,1,0,0,0|2,0,0]=4 430 B12R1.24 COC(=O)C1=CC=CC(F)=C1O M48681 [0,1,1,0,0,0|2,0,0]=4 431 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 M67654 [0,1,1,0,0,0|2,0,0]=4 432 B12R1.354 COC(=O)C1=C(O)C=CC(Cl)=C1 M69648 [0,1,1,0,0,0|2,0,0]=4 433 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 M48684 [0,1,1,0,0,0|2,0,0]=4 434 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 M68556 [0,1,1,0,0,0|2,0,0]=4 435 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 M36676 [0,1,1,0,0,0|2,0,0]=4 436 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 M69045 [0,1,1,0,0,0|2,0,0]=4 437 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 M48663 [0,1,1,0,0,0|2,0,0]=4 438 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 M48683 [0,1,1,0,0,0|2,0,0]=4 439 B12R1.1703 COC(=O)C1=C(O)C=C(I)C=C1 M48694 [0,1,1,0,0,0|2,0,0]=4 440 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 M69042 [0,1,1,0,0,0|2,0,0]=4 441 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M39507 [0,1,1,0,0,0|2,0,0]=4 442 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O M48680 [0,1,1,0,0,0|2,0,0]=4 443 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O M67402 [0,1,1,0,0,0|2,0,0]=4 444 B12R2.1 BrCC1=NOC2=C1C=CC=C2 B48074 [1,1,0,0,0,0|1,0,0]=3 445 B12R2.1 COC1=NNC2=C1C=CC=C2 M15069 [1,1,0,0,0,0|2,0,0]=4 446 B12R2.1 ClCC1=COC2=C1C=CC=C2 C51318 [1,1,0,0,0,0|0,0,0]=2 447 B12R2.1 N#CC1=CSC2=C1C=CC=C2 B50761 [1,1,0,0,0,0|0,1,1]=4 448 B12R2.1 NCC1=CN=C2C=CC=CN12 I4211 [1,1,0,0,0,0|2,0,0]=4 449 B12R2.1 NCC1=CN=C2C=CC=CN12 K49209 [1,1,0,0,0,0|2,0,0]=4 450 B12R2.1 NCC1=CNC2=C1C=CC=C2 K22443 [1,1,0,0,0,0|1,0,0]=3 451 B12R2.1 NCC1=CNC2=NC=CC=C12 P0336 [1,1,0,0,0,0|2,0,0]=4 452 B12R2.1 NCC1=NNC2=C1C=CC=C2 I14709 [1,1,0,0,0,0|2,0,0]=4 453 B12R2.1 NCC1=NNC2=C1C=CC=C2 K49688 [1,1,0,0,0,0|2,0,0]=4 454 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [1,1,0,0,0,0|0,0,1]=3 455 B12R2.1 O=CC1=CSC2=C1C=CC=C2 B67477 [1,1,0,0,0,0|0,1,1]=4 456 B12R2.1 OCC1=C2C=CC=CN2N=C1 P5043 [1,1,0,0,0,0|2,0,0]=4 457 B12R2.1 OCC1=CN=C2C=CC=CN12 I3369 [1,1,0,0,0,0|2,0,0]=4 458 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4626 [1,1,0,0,0,0|1,0,0]=3 459 B12R2.1 OCC1=CNC2=C1C=CC=N2 H12376 [1,1,0,0,0,0|2,0,0]=4 460 B12R2.1 OCC1=NNC2=C1C=CC=C2 H7713 [1,1,0,0,0,0|2,0,0]=4 461 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 C48090 [1,1,0,0,0,0|2,0,0]=4 462 B12R2.132 CC1=CC2=C(C=C1)N=CN2C D49714 [1,1,0,0,0,0|2,0,0]=4 463 B12R2.132 CC1=CC2=C(C=C1)ONC2=O M48465 [1,1,0,0,0,0|2,0,0]=4 464 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 B15960 [1,1,0,0,0,0|1,0,0]=3 465 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 C12130 [1,1,0,0,0,0|1,0,0]=3 466 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 F4725 [1,1,0,0,0,0|1,0,0]=3 467 B12R2.132 CC1=CNC2=NC=C(Br)C=C12 B7587 [1,1,0,0,0,0|2,0,0]=4 468 B12R2.132 CC1=CNC2=NC=C(Cl)C=C12 C10650 [1,1,0,0,0,0|2,0,0]=4 469 B12R2.132 CC1=CNC2=NC=C(N)C=C12 A11074 [1,1,0,0,0,0|2,0,0]=4 470 B12R2.132 CC1=NNC2=C1C=C(Br)C=C2 B7595 [1,1,0,0,0,0|2,0,0]=4 471 B12R2.132 CC1=NNC2=C1C=C(N)C=C2 A7593 [1,1,0,0,0,0|2,0,0]=4 472 B12R2.132 CC1=NOC2=C1C=C(Br)C=C2 B64889 [1,1,0,0,0,0|1,0,0]=3 473 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 A48809 [1,1,0,0,0,0|1,0,0]=3 474 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 B51448 [1,1,0,0,0,0|2,0,0]=4 475 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 M52056 [1,1,0,0,0,0|2,0,0]=4 476 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 B48316 [1,1,0,0,0,0|2,0,0]=4 477 B12R2.132 CN1C=NC2=C1C=C(N)C=C2 M49207 [1,1,0,0,0,0|2,0,0]=4 478 B12R2.132 ClC1=CC2=C(C=C1)ON=C2Cl D44182 [1,1,0,0,0,0|2,0,0]=4 479 B12R2.132 ClC1=NOC2=C1C=C(Br)C=C2 B61945 [1,1,0,0,0,0|2,0,0]=4 480 B12R2.132 FC1=CC2=C(C=C1)ON=C2Cl C44185 [1,1,0,0,0,0|2,0,0]=4 481 B12R2.132 NC1=CC2=C(C=C1)ONC2=O A45230 [1,1,0,0,0,0|2,0,0]=4 482 B12R2.132 NC1=CC2=C(C=C1)SC=C2Br B63806 [1,1,0,0,0,0|1,1,0]=4 483 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 B44831 [1,1,0,0,0,0|2,0,0]=4 484 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 B24181 [1,1,0,0,0,0|1,0,1]=4 485 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 B44449 [1,1,0,0,0,0|2,0,0]=4 486 B12R2.196 CC1=CC=CC2=C1ONC2=O M60993 [1,1,0,0,0,0|2,0,0]=4 487 B12R2.196 CC1=CNC2=C(N)C=CC=C12 M16465 [1,1,0,0,0,0|1,0,0]=3 488 B12R2.196 CC1=CSC2=C(Cl)C=CN=C12 C7658 [1,1,0,0,0,0|1,1,0]=4 489 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 B1701 [1,1,0,0,0,0|2,0,0]=4 490 B12R2.196 CC1=NOC2=C(Br)C=CC=C12 B48076 [1,1,0,0,0,0|1,0,0]=3 491 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 B10874 [1,1,0,0,0,0|2,0,0]=4 492 B12R2.196 CN1C=CC2=C(O)C=CC=C21 M60832 [1,1,0,0,0,0|2,0,0]=4 493 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 B37518 [1,1,0,0,0,0|2,0,0]=4 494 B12R2.196 CN1C=NC2=C(N)C=CC=C21 M49206 [1,1,0,0,0,0|2,0,0]=4 495 B12R2.196 ClC1=NOC2=C(Br)C=CC=C12 B63414 [1,1,0,0,0,0|2,0,0]=4 496 B12R2.196 NC1=NOC2=C(Br)C=CC=C12 B44829 [1,1,0,0,0,0|2,0,0]=4 497 B12R2.196 O=C1COC2=C(Br)C=CC=C12 B47766 [1,1,0,0,0,0|1,0,1]=4 498 B12R2.203 CC1=CN=C2C=CC=C(Br)N12 B3373 [1,1,0,0,0,0|2,0,0]=4 499 B12R2.203 CC1=CN=C2C=CC=C(Br)N12 B48319 [1,1,0,0,0,0|2,0,0]=4 500 B12R2.203 CC1=CN=C2C=CC=C(N)N12 A3372 [1,1,0,0,0,0|2,0,0]=4 501 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 M25969 [1,1,0,0,0,0|1,0,0]=3 502 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 B23812 [1,1,0,0,0,0|1,0,0]=3 503 B12R2.203 CC1=CNC2=CN=CC(Br)=C12 B60196 [1,1,0,0,0,0|2,0,0]=4 504 B12R2.203 CC1=CNC2=NC=CC(Br)=C12 B11076 [1,1,0,0,0,0|2,0,0]=4 505 B12R2.203 CC1=CNC2=NC=CC(Cl)=C12 C9660 [1,1,0,0,0,0|2,0,0]=4 506 B12R2.203 CC1=CNC2=NC=CC(N)=C12 A13789 [1,1,0,0,0,0|2,0,0]=4 507 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 B1857 [1,1,0,0,0,0|2,0,0]=4 508 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 B48318 [1,1,0,0,0,0|2,0,0]=4 509 B12R2.203 ClC1=C2C(Br)=CNC2=CC=C1 B37689 [1,1,0,0,0,0|2,0,0]=4 510 B12R2.203 ClC1=C2C(Br)=COC2=CC=N1 B44178 [1,1,0,0,0,0|2,0,0]=4 511 B12R2.203 NC1=C2C(Br)=COC2=CC=N1 B44830 [1,1,0,0,0,0|2,0,0]=4 512 B12R2.203 NC1=NOC2=CC=CC(Br)=C21 B44828 [1,1,0,0,0,0|2,0,0]=4 513 B12R2.203 O=C1COC2=CC=CC(F)=C12 F63171 [1,1,0,0,0,0|1,0,1]=4 514 B12R2.203 O=C1NOC2=CC=CC(F)=C12 F44454 [1,1,0,0,0,0|2,0,0]=4 515 B12R2.612 CC1=C2C=CC(Br)=CC2=NN1 B48309 [1,1,0,0,0,0|2,0,0]=4 516 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M48466 [1,1,0,0,0,0|2,0,0]=4 517 B12R2.612 CC1=CNC2=C1C=CC(Cl)=N2 C11077 [1,1,0,0,0,0|2,0,0]=4 518 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 M25577 [1,1,0,0,0,0|1,0,0]=3 519 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 B7596 [1,1,0,0,0,0|2,0,0]=4 520 B12R2.612 CC1=NNC2=C1C=CC(I)=C2 I8095 [1,1,0,0,0,0|2,0,0]=4 521 B12R2.612 CC1=NNC2=C1C=CC(N)=C2 A7594 [1,1,0,0,0,0|2,0,0]=4 522 B12R2.612 CC1=NNC2=C1C=CC(O)=C2 H38130 [1,1,0,0,0,0|2,0,0]=4 523 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 B48075 [1,1,0,0,0,0|1,0,0]=3 524 B12R2.612 CC1=NOC2=C1C=CC(O)=C2 M39002 [1,1,0,0,0,0|1,0,0]=3 525 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 B51447 [1,1,0,0,0,0|2,0,0]=4 526 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 M16073 [1,1,0,0,0,0|2,0,0]=4 527 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 M37572 [1,1,0,0,0,0|2,0,0]=4 528 B12R2.612 CN1C=CC2=C1C=CC([Mg+])=C2 M8400 [1,1,0,0,0,0|2,0,0]=4 529 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 B48313 [1,1,0,0,0,0|2,0,0]=4 530 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 M49200 [1,1,0,0,0,0|2,0,0]=4 531 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 M38761 [1,1,0,0,0,0|2,0,0]=4 532 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=NO2 D44183 [1,1,0,0,0,0|2,0,0]=4 533 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 B37239 [1,1,0,0,0,0|2,0,0]=4 534 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NO2 C44186 [1,1,0,0,0,0|2,0,0]=4 535 B12R2.612 NC1=NOC2=C1C=CC(Br)=C2 B38042 [1,1,0,0,0,0|2,0,0]=4 536 B12R2.612 NC1=NOC2=C1C=CC(F)=C2 F44845 [1,1,0,0,0,0|2,0,0]=4 537 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 B47765 [1,1,0,0,0,0|1,0,1]=4 538 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [1,1,0,0,0,0|1,0,1]=4 539 B12R2.612 O=C1NOC2=C1C=CC(Br)=C2 B38875 [1,1,0,0,0,0|2,0,0]=4 540 B12R2.612 O=C1NOC2=C1C=CC(Cl)=C2 C62237 [1,1,0,0,0,0|2,0,0]=4 541 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 F44455 [1,1,0,0,0,0|2,0,0]=4 542 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [1,1,0,0,0,0|1,0,0]=3 543 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 D49693 [1,1,0,0,0,0|2,0,0]=4 544 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 B48072 [1,1,0,0,0,0|1,0,0]=3 545 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [1,1,0,0,0,0|1,0,0]=3 546 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 E37955 [1,1,0,0,0,0|2,0,0]=4 547 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [1,1,0,0,0,0|1,0,0]=3 548 B12R2.32 CCC1=NC2=C(C=CC=N2)O1 E48800 [1,1,0,0,0,0|2,0,0]=4 549 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 M49208 [1,1,0,0,0,0|2,0,0]=4 550 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 M48556 [1,1,0,0,0,0|1,0,0]=3 551 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 M69659 [1,1,0,0,0,0|1,1,0]=4 552 B12R2.32 CSC1=NC2=C(C=CC=N2)O1 M45265 [1,1,0,0,0,0|2,0,0]=4 553 B12R2.32 ClCC1=CN2C=CC=CC2=N1 C3371 [1,1,0,0,0,0|2,0,0]=4 554 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 C48331 [1,1,0,0,0,0|2,0,0]=4 555 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 C48088 [1,1,0,0,0,0|1,0,0]=3 556 B12R2.32 ClCC1=NC2=C(C=CC=C2)S1 C47967 [1,1,0,0,0,0|1,1,0]=4 557 B12R2.32 N#CC1=CC2=C(C=CC=C2)N1 K50792 [1,1,0,0,0,0|1,0,1]=4 558 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 B50747 [1,1,0,0,0,0|0,0,1]=3 559 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 B50760 [1,1,0,0,0,0|0,1,1]=4 560 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 K22314 [1,1,0,0,0,0|1,0,0]=3 561 B12R2.32 NCC1=CC2=CC=CN=C2N1 P27892 [1,1,0,0,0,0|2,0,0]=4 562 B12R2.32 NCC1=CN2C=CC=CC2=N1 K49626 [1,1,0,0,0,0|2,0,0]=4 563 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49625 [1,1,0,0,0,0|2,0,0]=4 564 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B49689 [1,1,0,0,0,0|2,0,0]=4 565 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 B9950 [1,1,0,0,0,0|2,0,0]=4 566 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [1,1,0,0,0,0|1,0,1]=4 567 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [1,1,0,0,0,0|0,0,1]=3 568 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [1,1,0,0,0,0|0,1,1]=4 569 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 F10728 [1,1,0,0,0,0|1,0,1]=4 570 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 M9932 [1,1,0,0,0,0|1,0,0]=3 571 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B51662 [1,1,0,0,0,0|0,1,0]=3 572 B12R2.32 OCC1=CN2C=CC=CC2=N1 I5665 [1,1,0,0,0,0|2,0,0]=4 573 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 B28661 [1,1,0,0,0,0|2,0,0]=4 574 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [1,1,0,0,0,0|1,0,0]=3 575 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B69048 [1,1,0,0,0,0|1,1,0]=4 576 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [1,1,0,0,0,0|0,0,2]=4 577 B12R2.202 CC1=CC2=C(Br)C=CC=C2N1 B24528 [1,1,0,0,0,0|1,0,0]=3 578 B12R2.202 CC1=CC2=C(Br)C=CN=C2N1 B14144 [1,1,0,0,0,0|2,0,0]=4 579 B12R2.202 CC1=CC2=C(C)C=CN=C2N1 D37619 [1,1,0,0,0,0|2,0,0]=4 580 B12R2.202 CC1=CC2=C(C=CN=C2Cl)S1 C4232 [1,1,0,0,0,0|1,1,0]=4 581 B12R2.202 CC1=CC2=C(C=CNC2=O)S1 M5279 [1,1,0,0,0,0|1,1,0]=4 582 B12R2.202 CC1=CC2=C(Cl)C=CN=C2N1 C12866 [1,1,0,0,0,0|2,0,0]=4 583 B12R2.202 CC1=CC2=C(N1)C(=O)NC=C2 M48819 [1,1,0,0,0,0|2,0,0]=4 584 B12R2.202 CC1=CC2=C(N1)C(Cl)=NC=C2 C14178 [1,1,0,0,0,0|2,0,0]=4 585 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 M23244 [1,1,0,0,0,0|1,0,0]=3 586 B12R2.202 CC1=CC2=C(O)C=CN=C2N1 H12868 [1,1,0,0,0,0|2,0,0]=4 587 B12R2.202 CC1=CC2=CC=CC(Br)=C2C1 B10696 [1,1,0,0,0,0|1,0,0]=3 588 B12R2.202 CC1=CC2=NC=CC(Cl)=C2O1 C12674 [1,1,0,0,0,0|1,0,0]=3 589 B12R2.202 CC1=CC2=NC=CC(Cl)=C2S1 C7657 [1,1,0,0,0,0|1,1,0]=4 590 B12R2.202 CC1=CC=CC2=C1NC(C)=N2 D63300 [1,1,0,0,0,0|2,0,0]=4 591 B12R2.202 CC1=CN2C=CC=C(N)C2=N1 M49627 [1,1,0,0,0,0|2,0,0]=4 592 B12R2.202 CC1=CN2C=CC=C(O)C2=N1 M48811 [1,1,0,0,0,0|2,0,0]=4 593 B12R2.202 CC1=NC2=C(Br)C=CC=C2N1 B48311 [1,1,0,0,0,0|2,0,0]=4 594 B12R2.202 CC1=NC2=C(Br)C=CC=C2S1 B37098 [1,1,0,0,0,0|1,1,0]=4 595 B12R2.202 CC1=NC2=C(F)C=CC=C2O1 F48104 [1,1,0,0,0,0|1,0,0]=3 596 B12R2.202 CC1=NC2=CN=CC(Br)=C2O1 B44832 [1,1,0,0,0,0|2,0,0]=4 597 B12R2.202 CN1C=C2C(Br)=CC=CC2=N1 B2924 [1,1,0,0,0,0|2,0,0]=4 598 B12R2.202 CN1C=C2C(N)=CC=CC2=N1 A2915 [1,1,0,0,0,0|2,0,0]=4 599 B12R2.202 CN1C=C2C(O)=CC=CC2=N1 M48796 [1,1,0,0,0,0|2,0,0]=4 600 B12R2.202 CN1C=C2C=CC=C(Br)C2=N1 B2927 [1,1,0,0,0,0|2,0,0]=4 601 B12R2.202 CN1C=C2C=CC=C(I)C2=N1 I12542 [1,1,0,0,0,0|2,0,0]=4 602 B12R2.202 CN1C=C2C=CC=C(N)C2=N1 A2919 [1,1,0,0,0,0|2,0,0]=4 603 B12R2.202 ClC1=CC=CC2=C1SC(Br)=C2 B63280 [1,1,0,0,0,0|1,1,0]=4 604 B12R2.202 ClC1=CC=NC2=C1OC(I)=C2 C12675 [1,1,0,0,0,0|2,0,0]=4 605 B12R2.202 NC1=CC2=C(Br)C=CC=C2S1 A12712 [1,1,0,0,0,0|1,1,0]=4 606 B12R2.202 NC1=CC2=CC=CC(Br)=C2S1 A10456 [1,1,0,0,0,0|1,1,0]=4 607 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 A45229 [1,1,0,0,0,0|2,0,0]=4 608 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 B44825 [1,1,0,0,0,0|2,0,0]=4 609 B12R2.202 NC1=NC2=C(C=CC=C2O)O1 H45228 [1,1,0,0,0,0|2,0,0]=4 610 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 B44827 [1,1,0,0,0,0|2,0,0]=4 611 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 B44448 [1,1,0,0,0,0|2,0,0]=4 612 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 C62263 [1,1,0,0,0,0|2,0,0]=4 613 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)N1 B24529 [1,1,0,0,0,0|1,0,0]=3 614 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 C24527 [1,1,0,0,0,0|1,0,0]=3 615 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 F23531 [1,1,0,0,0,0|1,0,0]=3 616 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 I18181 [1,1,0,0,0,0|1,0,0]=3 617 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 M13891 [1,1,0,0,0,0|1,0,0]=3 618 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 M24189 [1,1,0,0,0,0|1,0,0]=3 619 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 M63165 [1,1,0,0,0,0|0,0,0]=2 620 B12R2.606 CC1=CC2=C(C=C1)C=C(C)N2 D52503 [1,1,0,0,0,0|1,0,0]=3 621 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 D17352 [1,1,0,0,0,0|1,0,0]=3 622 B12R2.606 CC1=CC2=C(C=C1)OC(=S)N2 M48557 [1,1,0,0,0,0|2,0,0]=4 623 B12R2.606 CC1=CC2=C(C=C1)OC(C)=N2 D51756 [1,1,0,0,0,0|1,0,0]=3 624 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 M48797 [1,1,0,0,0,0|2,0,0]=4 625 B12R2.606 CC1=CC2=C(C=C1)SC(C)=N2 D62175 [1,1,0,0,0,0|1,1,0]=4 626 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)N1 B16417 [1,1,0,0,0,0|1,0,0]=3 627 B12R2.606 CC1=CC2=C(C=CC(Cl)=C2)N1 C16418 [1,1,0,0,0,0|1,0,0]=3 628 B12R2.606 CC1=CC2=C(C=CC(Cl)=N2)N1 C15671 [1,1,0,0,0,0|2,0,0]=4 629 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 F12894 [1,1,0,0,0,0|1,0,0]=3 630 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 M18691 [1,1,0,0,0,0|1,0,0]=3 631 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 B0709 [1,1,0,0,0,0|2,0,0]=4 632 B12R2.606 CC1=CC2=CC(Cl)=NC=C2N1 C26351 [1,1,0,0,0,0|2,0,0]=4 633 B12R2.606 CC1=CC2=CC(N)=CN=C2N1 A1743 [1,1,0,0,0,0|2,0,0]=4 634 B12R2.606 CC1=CC2=NC=C(Br)C=C2N1 B48324 [1,1,0,0,0,0|2,0,0]=4 635 B12R2.606 CC1=CN2C=C(Br)C=CC2=N1 B4923 [1,1,0,0,0,0|2,0,0]=4 636 B12R2.606 CC1=CN2C=C(N)C=CC2=N1 M61197 [1,1,0,0,0,0|2,0,0]=4 637 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 B48073 [1,1,0,0,0,0|1,0,0]=3 638 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)S1 B24105 [1,1,0,0,0,0|1,1,0]=4 639 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 C48089 [1,1,0,0,0,0|1,0,0]=3 640 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)S1 C47966 [1,1,0,0,0,0|1,1,0]=4 641 B12R2.606 CC1=NC2=C(C=C(F)C=C2)S1 F47982 [1,1,0,0,0,0|1,1,0]=4 642 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 M48804 [1,1,0,0,0,0|1,0,0]=3 643 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)N1 B38068 [1,1,0,0,0,0|2,0,0]=4 644 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)O1 B38129 [1,1,0,0,0,0|1,0,0]=3 645 B12R2.606 CC1=NC2=C(C=CC(Br)=C2)S1 B38040 [1,1,0,0,0,0|1,1,0]=4 646 B12R2.606 CC1=NC2=C(C=CC(F)=C2)N1 F48344 [1,1,0,0,0,0|2,0,0]=4 647 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 F48105 [1,1,0,0,0,0|1,0,0]=3 648 B12R2.606 CC1=NC2=C(C=CC(I)=C2)N1 K48348 [1,1,0,0,0,0|2,0,0]=4 649 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 M49203 [1,1,0,0,0,0|2,0,0]=4 650 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 M49624 [1,1,0,0,0,0|2,0,0]=4 651 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 M61203 [1,1,0,0,0,0|1,0,0]=3 652 B12R2.606 CC1=NC2=C(C=CC(N)=C2)S1 M69049 [1,1,0,0,0,0|1,1,0]=4 653 B12R2.606 CC1=NC2=C(C=CC(O)=C2)N1 M48808 [1,1,0,0,0,0|2,0,0]=4 654 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 M38254 [1,1,0,0,0,0|1,0,0]=3 655 B12R2.606 CC1=NC2=CC(Br)=CN=C2O1 B32438 [1,1,0,0,0,0|2,0,0]=4 656 B12R2.606 CC1=NC2=NC=C(Br)C=C2O1 B39013 [1,1,0,0,0,0|2,0,0]=4 657 B12R2.606 CN1C=C2C=C(Br)C=CC2=N1 B2925 [1,1,0,0,0,0|2,0,0]=4 658 B12R2.606 CN1C=C2C=C(Cl)C=CC2=N1 C9582 [1,1,0,0,0,0|2,0,0]=4 659 B12R2.606 CN1C=C2C=C(I)C=CC2=N1 I12539 [1,1,0,0,0,0|2,0,0]=4 660 B12R2.606 CN1C=C2C=C(N)C=CC2=N1 A2916 [1,1,0,0,0,0|2,0,0]=4 661 B12R2.606 CN1C=C2C=CC(Br)=CC2=N1 B2926 [1,1,0,0,0,0|2,0,0]=4 662 B12R2.606 CN1C=C2C=CC(I)=CC2=N1 I12541 [1,1,0,0,0,0|2,0,0]=4 663 B12R2.606 CN1C=C2C=CC(N)=CC2=N1 A2918 [1,1,0,0,0,0|2,0,0]=4 664 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 D44181 [1,1,0,0,0,0|2,0,0]=4 665 B12R2.606 ClC1=CC2=C(C=C1)NC(I)=C2 C47699 [1,1,0,0,0,0|2,0,0]=4 666 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 D13938 [1,1,0,0,0,0|2,0,0]=4 667 B12R2.606 ClC1=NC2=C(C=CC(Br)=C2)O1 B37658 [1,1,0,0,0,0|2,0,0]=4 668 B12R2.606 FC1=CC2=C(C=C1)OC(S)=N2 F44554 [1,1,0,0,0,0|2,0,0]=4 669 B12R2.606 NC1=CC2=C(C=C(Br)C=C2)S1 B10455 [1,1,0,0,0,0|1,1,0]=4 670 B12R2.606 NC1=CC2=C(C=C1)N=C(O)O2 A62037 [1,1,0,0,0,0|2,0,0]=4 671 B12R2.606 NC1=CC2=C(C=C1)OC(=O)C2 A48458 [1,1,0,0,0,0|1,0,1]=4 672 B12R2.606 NC1=CC2=C(C=CC(Br)=C2)S1 A10454 [1,1,0,0,0,0|1,1,0]=4 673 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 A44824 [1,1,0,0,0,0|2,0,0]=4 674 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 A44834 [1,1,0,0,0,0|2,0,0]=4 675 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)O1 B44826 [1,1,0,0,0,0|2,0,0]=4 676 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 B69565 [1,1,0,0,0,0|2,0,0]=4 677 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 B44447 [1,1,0,0,0,0|2,0,0]=4 678 B12R2.606 O=C1NC2=C(C=CC(F)=C2)O1 F44453 [1,1,0,0,0,0|2,0,0]=4 679 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)O1 C63973 [1,1,0,0,0,0|2,0,0]=4 680 B12R2.606 S=C1NC2=C(C=CC(Br)=C2)O1 B44526 [1,1,0,0,0,0|2,0,0]=4 681 B12R2.606 S=C1NC2=C(C=CC(Cl)=C2)O1 C44542 [1,1,0,0,0,0|2,0,0]=4 682 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 B55419 [0,1,0,0,0,1|2,0,0]=4 683 B14R2.92 COC1=C([Mg+])C2=CC=CC=C2C=C1 M31719 [0,1,0,0,0,1|2,0,0]=4 684 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O X53493 [0,1,0,0,0,1|1,0,1]=4 685 B14R2.203 COC1=C(Br)C=CC2=CC=CC=C21 B55421 [0,1,0,0,0,1|2,0,0]=4 686 B14R2.203 COC1=C(C)C=CC2=CC=CC=C21 M55760 [0,1,0,0,0,1|1,0,0]=3 687 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O H32193 [0,1,0,0,0,1|2,0,0]=4 688 B14R2.1019 CC1=NC(CCl)=NC2=CC=CC=C21 C16498 [0,1,0,0,0,1|1,0,0]=3 689 B14R2.1019 CC1=NC(CO)=NC2=CC=CC=C21 M66697 [0,1,0,0,0,1|1,0,0]=3 690 B14R2.1146 COC1=CC(=O)NC2=C1C=CC=C2 M53922 [0,1,0,0,0,1|2,0,0]=4 691 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 M62171 [0,1,0,0,0,1|1,0,0]=3 692 B14R2.1146 COC1=CC(Br)=NC2=CC=CC=C21 B53772 [0,1,0,0,0,1|2,0,0]=4 693 B14R2.1146 COC1=NC(N)=CC2=CC=CC=C21 M52291 [0,1,0,0,0,1|2,0,0]=4 694 B14R2.1146 O=C1C=C(CBr)C2=C(C=CC=C2)N1 B67083 [0,1,0,0,0,1|2,0,0]=4 695 B14R2.8045 CC1=CC(=O)NC2=C(Cl)C=CC=C12 C53790 [0,1,0,0,0,1|2,0,0]=4 696 B14R2.8045 CC1=CC(Cl)=C2C=CC=C(Br)C2=N1 B53560 [0,1,0,0,0,1|2,0,0]=4 697 B14R2.8045 CC1=CC(Cl)=NC2=C(C)C=CC=C12 C54309 [0,1,0,0,0,1|2,0,0]=4 698 B14R2.8045 CC1=CC(Cl)=NC2=C(Cl)C=CC=C12 D53563 [0,1,0,0,0,1|2,0,0]=4 699 B14R2.8235 CC1=C2C=C(Br)C=CC2=NC(Cl)=C1 B53558 [0,1,0,0,0,1|2,0,0]=4 700 B14R2.8235 CC1=C2C=C(Br)C=CC2=NC(Cl)=N1 B12560 [0,1,0,0,0,1|2,0,0]=4 701 B14R2.8235 CC1=C2C=C(Br)C=CC2=NC(O)=C1 B53776 [0,1,0,0,0,1|2,0,0]=4 702 B14R2.8235 CC1=CC(=O)NC2=C1C=C(Cl)C=C2 C53788 [0,1,0,0,0,1|2,0,0]=4 703 B14R2.8235 CC1=CC(O)=C2C=C(Br)C=CC2=N1 B53775 [0,1,0,0,0,1|2,0,0]=4 704 B14R2.8235 CC1=CC2=C(C=C1)NC(C)=NC2=O D52296 [0,1,0,0,0,1|2,0,0]=4 705 B14R2.8235 CC1=CC=C2N=C(C)N=C(Cl)C2=C1 C53846 [0,1,0,0,0,1|2,0,0]=4 706 B14R2.8235 CC1=NC(Cl)=C2C=C(Br)C=CC2=N1 B50798 [0,1,0,0,0,1|2,0,0]=4 707 B14R2.8235 CC1=NC2=C(C=C(Br)C=C2)C(=O)N1 B51123 [0,1,0,0,0,1|2,0,0]=4 708 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(Cl)=N1 D50804 [0,1,0,0,0,1|2,0,0]=4 709 B14R2.8235 CC1=NC2=CC=C(F)C=C2C(Cl)=N1 C50806 [0,1,0,0,0,1|2,0,0]=4 710 B14R2.8235 O=C1C=C(O)C2=C(C=CC(F)=C2)O1 F50782 [0,1,0,0,0,1|2,0,0]=4 711 B14R2.28480 CC1=NC(O)=C2C(Br)=CC=CC2=N1 B51121 [0,1,0,0,0,1|2,0,0]=4 712 B14R2.29365 CC1=CC(=O)C2=C(C=C(O)C=C2)O1 H53809 [0,1,0,0,0,1|1,0,0]=3 713 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(Br)=C2 B67267 [0,1,0,0,0,1|2,0,0]=4 714 B14R2.29365 CC1=CC(Cl)=NC2=CC(N)=CC=C12 C63862 [0,1,0,0,0,1|2,0,0]=4 715 B14R2.29365 CC1=CC2=C(C=CC(Br)=C2)C(=O)N1 B53782 [0,1,0,0,0,1|2,0,0]=4 716 B14R2.29365 CC1=NC(Cl)=C2C=CC(Br)=CC2=N1 B50799 [0,1,0,0,0,1|2,0,0]=4 717 B14R2.29365 CC1=NC2=C(C=CC(Br)=C2)C(=O)N1 B51124 [0,1,0,0,0,1|2,0,0]=4 718 B14R2.29365 CC1=NC2=CC(Cl)=CC=C2C(Cl)=C1 D63022 [0,1,0,0,0,1|2,0,0]=4 719 B14R2.29365 CC1=NC2=CC(F)=CC=C2C(Cl)=N1 C50807 [0,1,0,0,0,1|2,0,0]=4 720 B14R2.29365 O=C1C=C(O)C2=C(C=C(F)C=C2)O1 F63742 [0,1,0,0,0,1|2,0,0]=4 721 B14R2.29496 CC1=NC(C)(C)CC2=C1C=CC=C2 T61716 [0,1,0,0,0,1|1,0,1]=4 722 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl C51126 [0,1,0,0,0,1|2,0,0]=4 723 B14R2.8239 CC1=C(Cl)N=C2C=C(Br)C=CC2=C1 B53559 [0,1,0,0,0,1|2,0,0]=4 724 B14R2.8239 CC1=CC=C2N=C(C)C(C)=NC2=C1 T54482 [0,1,0,0,0,1|1,0,0]=3 725 B14R2.8239 C[C@@H]1OC2=C(C=C(Br)C=C2)NC1=O B63696 [0,1,0,0,0,1|1,0,1]=4 726 B14R2.44 CNCC1=C(Cl)C2=C(C=CC=C2)S1 C52360 [0,2,0,0,0,0|1,1,0]=4 727 B14R2.450 CC1=C(B(O)O)OC2=C1C=CC=C2 M32251 [0,2,0,0,0,0|1,0,0]=3 728 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 M16318 [0,2,0,0,0,0|1,0,1]=4 729 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 M22616 [0,2,0,0,0,0|0,0,1]=3 730 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 A51383 [0,2,0,0,0,0|1,0,1]=4 731 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C50779 [0,2,0,0,0,0|1,0,1]=4 732 B14R2.1129 CCC1=C(C=O)C2=C(C=CC=C2)S1 E63974 [0,2,0,0,0,0|0,1,1]=4 733 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 M15797 [0,2,0,0,0,0|1,0,0]=3 734 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 M57396 [0,2,0,0,0,0|1,0,0]=3 735 B14R2.642 CC(=O)C1=C(C)N=C2C=CC=CN21 M52299 [0,2,0,0,0,0|2,0,0]=4 736 B14R2.4507 CC1=NC2=C(C=C(Br)C=C2)C1(C)C B63972 [0,2,0,0,0,0|1,0,1]=4 737 B14R2.4507 CC1=NC2=C(C=C(Cl)C=C2)C1(C)C C54515 [0,2,0,0,0,0|1,0,1]=4 738 B14R2.4507 CC1=NC2=C(C=C(N)C=C2)C1(C)C T54695 [0,2,0,0,0,0|1,0,1]=4 739 B14R2.57380 CC1=[N+](C)C2=C(C=CC=C2)C1(C)C T56553 [0,2,0,0,0,0|1,0,1]=4 740 B14R2.3274 CC1=C(C)C2=C(C=CC(CN)=C2)N1 D54696 [0,2,0,0,0,0|1,0,0]=3 741 B14R2.9184 CC1=C(C)N2C=C(Br)C=C(N)C2=N1 B3547 [0,2,0,0,0,0|2,0,0]=4 742 B14R2.1815 CC1=C2C=CC(C=O)=CC2=NN1C D17843 [0,2,0,0,0,0|2,0,0]=4 743 B14R2.1815 CC1=C2C=CC(CO)=CC2=NN1C D12549 [0,2,0,0,0,0|2,0,0]=4 744 B14R2.1815 CC1=NC2=C(C=CC(C=O)=C2)N1C D52301 [0,2,0,0,0,0|2,0,0]=4 745 B14R2.1815 CC1=NC2=C(C=CC(CO)=C2)N1C D52693 [0,2,0,0,0,0|2,0,0]=4 746 B14R2.1815 CNC1=CC2=NN(C)C(C)=C2C=C1 T66996 [0,2,0,0,0,0|2,0,0]=4 747 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,0,1,1,0,0|0,0,2]=4 748 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [0,0,1,1,0,0|2,0,0]=4 749 B12R2.315 COC1=C2OC=CC2=CC=C1 M51551 [0,0,1,1,0,0|1,0,1]=4 750 B12R2.315 O=CC1=C2OCCC2=CC=C1 D51555 [0,0,1,1,0,0|1,0,1]=4 751 B12R2.1081 O=C1C=COC2=C1C=CC=C2 C38489 [0,0,1,1,0,0|1,0,1]=4 752 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [0,0,1,1,0,0|1,0,1]=4 753 B14R3.49 C1=CC2=C(C=C1)N3CCNC3=N2 D51710 [0,1,0,1,0,0|2,0,0]=4 754 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,0,1,0|1,0,1]=4 755 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,0,1,0,0,1|0,0,2]=4 756 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,0,1,0,0,1|1,0,1]=4 757 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,0,1,0,0,1|0,0,2]=4 758 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,0,1,0,0,1|0,0,2]=4 759 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,0,1,0,0,1|2,0,0]=4 760 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,0,1,0,0,1|1,0,1]=4 761 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,0,1,0,0,1|1,0,1]=4 762 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,0,1,0,0,1|2,0,0]=4 763 B12R2.1041 NC1=CC2=CC=CC=CC2=C1 A53835 [1,0,0,0,0,1|2,0,0]=4