0 B11R2.1 BrC1=C2C=CC=CN2C=N1 Q63204 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.1 BrC1=C2C=CC=CN2N=C1 M24067 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 BrC1=CN=C2C=CC=CN12 C-3743 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 BrC1=CNC2=C1C=CN=C2 G-6818 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 BrC1=CNC2=CC=CN=C12 O31587 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 BrC1=CNC2=CC=NC=C12 C-3753 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 BrC1=CNC2=NC=CC=C12 C-3432 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.1 BrC1=COC2=CC=CC=C12 O30635 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 BrC1=CSC2=C1C=CN=C2 O30623 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.1 BrC1=CSC2=C1C=NC=C2 O31384 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.1 BrC1=CSC2=CC=CN=C12 O33502 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 BrC1=NC=C2C=CC=CN21 Q62387 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.1 BrC1=NNC2=CC=CC=C21 C-2069 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.1 BrC1=NNC2=CC=CN=C21 G-6819 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.1 BrC1=NNC2=CC=NC=C21 C-3536 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.1 BrC1=NNC2=CN=CC=C21 L13725 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.1 BrC1=NNC2=NC=CC=C12 C-2211 [0,0,0,0,0,0|4,0,0]=4 17 B11R2.1 CC1=CNC2=C1C=CC=C2 I-9262 [0,0,0,0,0,0|3,0,0]=3 18 B11R2.1 CC1=CNC2=C1C=CN=C2 P44359 [0,0,0,0,0,0|4,0,0]=4 19 B11R2.1 CC1=CNC2=C1C=NC=C2 L21593 [0,0,0,0,0,0|4,0,0]=4 20 B11R2.1 CC1=CNC2=CC=CN=C12 O30970 [0,0,0,0,0,0|4,0,0]=4 21 B11R2.1 CC1=CNC2=NC=CC=C12 G-5971 [0,0,0,0,0,0|4,0,0]=4 22 B11R2.1 CC1=NNC2=C1C=CC=C2 C-2144 [0,0,0,0,0,0|3,0,0]=3 23 B11R2.1 CC1=NNC2=C1C=NC=C2 L13764 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.1 CC1=NNC2=CC=CN=C21 C-3453 [0,0,0,0,0,0|4,0,0]=4 25 B11R2.1 CC1=NNC2=CN=CC=C21 P44265 [0,0,0,0,0,0|4,0,0]=4 26 B11R2.1 CC1=NNC2=NC=CC=C12 C-3338 [0,0,0,0,0,0|4,0,0]=4 27 B11R2.1 CC1=NOC2=CC=CC=C21 O30125 [0,0,0,0,0,0|3,0,0]=3 28 B11R2.1 ClC1=CNC2=C1C=CC=C2 L14683 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.1 ClC1=CNC2=C1C=CC=N2 G-5301 [0,0,0,0,0,0|4,0,0]=4 30 B11R2.1 ClC1=NN=C2C=CC=CN12 L21611 [0,0,0,0,0,0|4,0,0]=4 31 B11R2.1 ClC1=NNC2=C1C=CN=C2 O30097 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.1 ClC1=NNC2=CC=CN=C21 O30920 [0,0,0,0,0,0|4,0,0]=4 33 B11R2.1 ClC1=NNC2=NC=CC=C12 I-9325 [0,0,0,0,0,0|4,0,0]=4 34 B11R2.1 FC1=CNC2=NC=CC=C12 L14272 [0,0,0,0,0,0|4,0,0]=4 35 B11R2.1 IC1=CNC2=C1C=CN=C2 L21657 [0,0,0,0,0,0|4,0,0]=4 36 B11R2.1 IC1=CNC2=CC=CN=C12 P49843 [0,0,0,0,0,0|4,0,0]=4 37 B11R2.1 IC1=CNC2=CC=NC=C12 C-3752 [0,0,0,0,0,0|4,0,0]=4 38 B11R2.1 IC1=CNC2=NC=CC=C12 A-822 [0,0,0,0,0,0|4,0,0]=4 39 B11R2.1 IC1=NNC2=C1C=CC=C2 Q67919 [0,0,0,0,0,0|3,0,0]=3 40 B11R2.1 IC1=NNC2=CC=CN=C21 G-7560 [0,0,0,0,0,0|4,0,0]=4 41 B11R2.1 IC1=NNC2=CC=NC=C21 P48604 [0,0,0,0,0,0|4,0,0]=4 42 B11R2.1 IC1=NNC2=CN=CC=C21 L18085 [0,0,0,0,0,0|4,0,0]=4 43 B11R2.1 IC1=NNC2=NC=CC=C12 C-3230 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.1 NC1=CN=C2C=CC=CN12 G-7498 [0,0,0,0,0,0|4,0,0]=4 45 B11R2.1 NC1=CNC2=C1C=CC=C2 O32345 [0,0,0,0,0,0|3,0,0]=3 46 B11R2.1 NC1=CNC2=C1C=CC=C2 O32346 [0,0,0,0,0,0|3,0,0]=3 47 B11R2.1 NC1=CNC2=C1C=CN=C2 O31035 [0,0,0,0,0,0|4,0,0]=4 48 B11R2.1 NC1=CNC2=C1C=NC=C2 O31551 [0,0,0,0,0,0|4,0,0]=4 49 B11R2.1 NC1=CNC2=CC=CN=C12 O29454 [0,0,0,0,0,0|4,0,0]=4 50 B11R2.1 NC1=CNC2=NC=CC=C12 O31595 [0,0,0,0,0,0|4,0,0]=4 51 B11R2.1 NC1=CNC2=NC=CC=C12 P44547 [0,0,0,0,0,0|4,0,0]=4 52 B11R2.1 NC1=CSC2=C1C=CN=C2 O31463 [0,0,0,0,0,0|4,0,0]=4 53 B11R2.1 NC1=CSC2=C1C=NC=C2 O31045 [0,0,0,0,0,0|4,0,0]=4 54 B11R2.1 NC1=CSC2=CC=CC=C12 O29978 [0,0,0,0,0,0|3,0,0]=3 55 B11R2.1 NC1=CSC2=CC=CN=C12 O30207 [0,0,0,0,0,0|4,0,0]=4 56 B11R2.1 NC1=CSC2=NC=CC=C12 O31075 [0,0,0,0,0,0|4,0,0]=4 57 B11R2.1 NC1=NNC2=C1C=CC=C2 P35582 [0,0,0,0,0,0|3,0,0]=3 58 B11R2.1 NC1=NNC2=C1C=CN=C2 10127 [0,0,0,0,0,0|4,0,0]=4 59 B11R2.1 NC1=NNC2=C1C=NC=C2 10128 [0,0,0,0,0,0|4,0,0]=4 60 B11R2.1 NC1=NNC2=CC=CN=C21 L18463 [0,0,0,0,0,0|4,0,0]=4 61 B11R2.1 NC1=NNC2=NC=CC=C12 C-2210 [0,0,0,0,0,0|4,0,0]=4 62 B11R2.1 NC1=NOC2=C1C=CN=C2 K10867 [0,0,0,0,0,0|4,0,0]=4 63 B11R2.1 NC1=NOC2=C1C=NC=C2 K10866 [0,0,0,0,0,0|4,0,0]=4 64 B11R2.1 NC1=NOC2=CC=CN=C21 K10865 [0,0,0,0,0,0|4,0,0]=4 65 B11R2.1 O=C1CCC2=C1C=CN=C2 L22316 [0,0,0,0,0,0|2,0,0]=2 66 B11R2.1 O=C1CCC2=NC=CC=C12 G-6870 [0,0,0,0,0,0|2,0,0]=2 67 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [0,0,0,0,0,0|1,0,0]=1 68 B11R2.1 O=C1NCC2=C1CC=CC2 L18214 [0,0,0,0,0,0|1,0,2]=3 69 B11R2.1 O=C1NCC2=CC=NC=C12 C-2838 [0,0,0,0,0,0|2,0,0]=2 70 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [0,0,0,0,0,0|1,1,0]=2 71 B11R2.1 OB1OCC2=CC=NC=C12 F-4657 [0,0,0,0,0,0|2,0,1]=3 72 B11R2.1 OC1=CNC2=CC=CC=C12 Q52523 [0,0,0,0,0,0|2,0,1]=3 73 B11R2.1 OC1CCC2=C1C=CN=C2 S72817 [0,0,0,0,0,0|2,0,2]=4 74 B10R2.7 B1OC2=C(C=CC=C2)O1 P39136 [1,0,0,0,0,0|3,0,0]=4 75 B10R2.7 C1=CC2=C(C=CO2)C=N1 O30086 [1,0,0,0,0,0|3,0,0]=4 76 B10R2.7 C1=CC2=C(C=CO2)N=C1 C-3657 [1,0,0,0,0,0|3,0,0]=4 77 B10R2.7 C1=CC2=C(C=CS2)C=N1 O30442 [1,0,0,0,0,0|3,0,0]=4 78 B10R2.7 C1=CC2=C(C=N1)CNC2 M15466 [1,0,0,0,0,0|2,0,1]=4 79 B10R2.7 C1=CC2=C(C=N1)CNC2 M15469 [1,0,0,0,0,0|2,0,1]=4 80 B10R2.7 C1=CC2=C(C=N1)NN=C2 G-5456 [1,0,0,0,0,0|3,0,0]=4 81 B10R2.7 C1=CC2=C(C=N1)SC=C2 O31818 [1,0,0,0,0,0|3,0,0]=4 82 B10R2.7 C1=CC2=CC=NC=C2N1 C-2344 [1,0,0,0,0,0|3,0,0]=4 83 B10R2.7 C1=CC2=CC=NN2C=C1 A-886 [1,0,0,0,0,0|3,0,0]=4 84 B10R2.7 C1=CC2=CN=CC=C2N1 C-3300 [1,0,0,0,0,0|3,0,0]=4 85 B10R2.7 C1=CC2=CN=NN2C=C1 O30701 [1,0,0,0,0,0|3,0,0]=4 86 B10R2.7 C1=CC2=NC=CN2C=C1 A-801 [1,0,0,0,0,0|3,0,0]=4 87 B10R2.7 C1=CC=C2CNCC2=C1 P44607 [1,0,0,0,0,0|1,0,1]=3 88 B10R2.7 C1=CN=C2C=CNC2=C1 C-2342 [1,0,0,0,0,0|3,0,0]=4 89 B10R2.7 C1=CN=C2C=CSC2=C1 O31503 [1,0,0,0,0,0|3,0,0]=4 90 B10R2.7 C1=CN=C2C=NNC2=C1 C-2409 [1,0,0,0,0,0|3,0,0]=4 91 B10R2.7 C1=CN=C2CC=NC2=C1 O29484 [1,0,0,0,0,0|3,0,0]=4 92 B10R2.7 C1=CN=C2CCNC2=C1 O29585 [1,0,0,0,0,0|3,0,0]=4 93 B10R2.7 C1=CN=C2CNCC2=C1 B-1200 [1,0,0,0,0,0|2,0,1]=4 94 B10R2.7 C1=CN=C2NC=CC2=C1 A-816 [1,0,0,0,0,0|3,0,0]=4 95 B10R2.7 C1=CN=C2NCCC2=C1 C-3425 [1,0,0,0,0,0|3,0,0]=4 96 B10R2.7 C1=CN=C2NN=CC2=C1 C-2471 [1,0,0,0,0,0|3,0,0]=4 97 B10R2.7 C1=CN=C2OC=CC2=C1 O31056 [1,0,0,0,0,0|3,0,0]=4 98 B10R2.7 C1=NC=C2C=NNC2=C1 C-2408 [1,0,0,0,0,0|3,0,0]=4 99 B10R2.7 C1=NC=C2CNCC2=C1 G-5769 [1,0,0,0,0,0|2,0,1]=4 100 B12R2.1 BrCC1=CNC2=C1C=CC=C2 Q54248 [0,1,0,0,0,0|3,0,0]=4 101 B12R2.1 C#CC1=NNC2=C1C=CC=C2 Q55222 [0,1,0,0,0,0|3,0,0]=4 102 B12R2.1 C(=O)C1=C2C=CC=CN2N=C1 A-882 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 P45569 [0,1,0,0,0,0|2,0,0]=3 104 B12R2.1 N#CC1=COC2=C1C=CC=C2 O34105 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.1 N#CC1=NNC2=C1C=CC=C2 O34461 [0,1,0,0,0,0|3,0,0]=4 106 B12R2.1 O=CC1=CNC2=C1C=CC=N2 G-5303 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.1 O=CC1=CNC2=C1C=CN=C2 A-696 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.1 O=CC1=CNC2=CC=CN=C12 A-697 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.1 O=CC1=CNC2=CC=NC=C12 P44525 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.1 O=CC1=COC2=C1N=CC=C2 Q60417 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.1 O=CC1=COC2=CC=CC=C12 O34082 [0,1,0,0,0,0|2,0,0]=3 112 B12R2.1 O=CC1=COC2=CC=NC=C12 Q60457 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.1 O=CC1=COC2=CN=CC=C12 Q60459 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.1 O=CC1=CSC2=CC=CN=C12 O29341 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.1 O=CC1=NC=C2C=CC=CN21 L21619 [0,1,0,0,0,0|2,0,1]=4 116 B12R2.1 O=CC1=NN=C2C=CC=CN12 Q60323 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.1 O=CC1=NNC2=NC=CC=C12 G-5518 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.1 OCC1=NNC2=C1C=CC=C2 G-5612 [0,1,0,0,0,0|2,0,1]=4 119 B12R2.18 BrC1=C(Br)C2=CC=CC=C2S1 Q67335 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 A-725 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.18 CN1N=C2C=CC=CC2=C1Br O33236 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.18 CN1N=C2C=CC=CC2=C1I L14060 [0,1,0,0,0,0|3,0,0]=4 123 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O I-9168 [0,1,0,0,0,0|2,0,1]=4 124 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O G-6897 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O P45467 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O Q52820 [0,1,0,0,0,0|3,0,0]=4 127 B12R2.132 BrC1=CC=C2NC=C(I)C2=C1 Q60085 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.132 BrC1=CC=C2NN=C(I)C2=C1 C-2098 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.132 BrC1=NNC2=C1C=C(I)C=C2 M15089 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.132 CC1=CC2=C(C=C1)CCC2N P38544 [0,1,0,0,0,0|2,0,1]=4 131 B12R2.132 CC1=CC2=C(C=C1)NN=C2Br M15047 [0,1,0,0,0,0|3,0,0]=4 132 B12R2.132 CC1=CC2=C(C=C1)NN=C2I O30800 [0,1,0,0,0,0|3,0,0]=4 133 B12R2.132 CC1=CC2=C(C=C1)ON=C2Cl L19234 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.132 CC1=CC=C2COB(O)C2=C1 Q68463 [0,1,0,0,0,0|1,0,1]=3 135 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 Q55299 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 G-7513 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 Q55296 [0,1,0,0,0,0|3,0,0]=4 138 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 Q55686 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.132 CC1=NNC2=CC=C(Br)C=C21 C-2092 [0,1,0,0,0,0|3,0,0]=4 140 B12R2.132 CC1=NNC2=CC=C(N)C=C21 C-2090 [0,1,0,0,0,0|3,0,0]=4 141 B12R2.132 ClC1=CC2=C(C=C1)NN=C2Br O32917 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.132 ClC1=CC2=C(C=C1)NN=C2I O31850 [0,1,0,0,0,0|3,0,0]=4 143 B12R2.132 ClC1=NNC2=C1C=C(I)C=C2 Q54519 [0,1,0,0,0,0|3,0,0]=4 144 B12R2.132 ClC1=NNC2=CC=C(Br)C=C21 C-2854 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.132 ClC1=NOC2=CC=C(Br)C=C21 10619 [0,1,0,0,0,0|3,0,0]=4 146 B12R2.132 FC1=CC2=C(C=C1)NN=C2Br O32912 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.132 FC1=CC2=C(C=C1)NN=C2I O30721 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.132 FC1=NNC2=C1C=C(Br)C=C2 O32591 [0,1,0,0,0,0|3,0,0]=4 149 B12R2.132 NC1=CC2=C(C=C1)CNC2=O G-6420 [0,1,0,0,0,0|1,0,0]=2 150 B12R2.132 NC1=CC2=C(C=C1)COC2=O P37328 [0,1,0,0,0,0|0,0,0]=1 151 B12R2.132 NC1=CC2=C(C=C1)NN=C2Br L14059 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.132 NC1=CC2=C(C=C1)NN=C2Cl L13636 [0,1,0,0,0,0|3,0,0]=4 153 B12R2.132 NC1=CC2=C(C=C1)NN=C2I C-2857 [0,1,0,0,0,0|3,0,0]=4 154 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 A-507 [0,1,0,0,0,0|1,0,0]=2 155 B12R2.132 NC1=CC=C2NC=C(Cl)C2=C1 Q53319 [0,1,0,0,0,0|3,0,0]=4 156 B12R2.132 NC1=NNC2=C1C=C(Br)C=C2 C-2129 [0,1,0,0,0,0|3,0,0]=4 157 B12R2.132 NC1=NNC2=C1C=C(F)C=C2 P51011 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 P42338 [0,1,0,0,0,0|2,0,1]=4 159 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 P36711 [0,1,0,0,0,0|2,0,1]=4 160 B12R2.132 NC1CCC2=C1C=C(F)C=C2 M23347 [0,1,0,0,0,0|2,0,1]=4 161 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 L18503 [0,1,0,0,0,0|2,0,1]=4 162 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 I-9219 [0,1,0,0,0,0|1,0,0]=2 163 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 P41205 [0,1,0,0,0,0|1,0,0]=2 164 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 A-509 [0,1,0,0,0,0|1,0,0]=2 165 B12R2.132 O=C1COC2=CC=C(Br)C=C12 B-1771 [0,1,0,0,0,0|2,0,0]=3 166 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 B-1796 [0,1,0,0,0,0|2,0,0]=3 167 B12R2.132 O=C1COC2=CC=C(F)C=C12 B-1139 [0,1,0,0,0,0|2,0,0]=3 168 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 A-637 [0,1,0,0,0,0|1,0,0]=2 169 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 O33569 [0,1,0,0,0,0|1,0,0]=2 170 B12R2.132 O=C1NN=C2C=CC(Br)=CN12 O34191 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.132 O=C1NOC2=CC=C(Br)C=C12 M15623 [0,1,0,0,0,0|2,0,0]=3 172 B12R2.132 O=C1OCC2=CC=C(I)C=C12 L18429 [0,1,0,0,0,0|0,0,0]=1 173 B12R2.132 OB1OCC2=CC=C(Cl)C=C12 N27709 [0,1,0,0,0,0|1,0,1]=3 174 B12R2.132 OC1CCC2=C1C=C(Cl)C=C2 P37662 [0,1,0,0,0,0|1,0,2]=4 175 B12R2.132 OC1CCC2=CC=C(Br)C=C21 N24956 [0,1,0,0,0,0|1,0,2]=4 176 B12R2.196 BrC1=C2NN=C(I)C2=CC=C1 C-2100 [0,1,0,0,0,0|3,0,0]=4 177 B12R2.196 CC1=CC=CC2=C1CCC2N M22843 [0,1,0,0,0,0|2,0,1]=4 178 B12R2.196 CC1=CNC2=C1C=CC=C2Br O30302 [0,1,0,0,0,0|3,0,0]=4 179 B12R2.196 CC1=CNC2=C1C=CC=C2N L14881 [0,1,0,0,0,0|3,0,0]=4 180 B12R2.196 CC1=NNC2=C1C=CC=C2Br G-5466 [0,1,0,0,0,0|3,0,0]=4 181 B12R2.196 CC1=NNC2=C1C=CC=C2F Q52505 [0,1,0,0,0,0|3,0,0]=4 182 B12R2.196 ClC1=NNC2=C(Br)C=CC=C12 L18472 [0,1,0,0,0,0|3,0,0]=4 183 B12R2.196 FC1=C2NN=C(I)C2=CC=C1 L13617 [0,1,0,0,0,0|3,0,0]=4 184 B12R2.196 NC1=C2CNC(=O)C2=CC=C1 L13741 [0,1,0,0,0,0|1,0,0]=2 185 B12R2.196 NC1=CC=CC2=C1NC=C2Cl Q69224 [0,1,0,0,0,0|3,0,0]=4 186 B12R2.196 NC1=CC=CC2=C1NN=C2Br O32911 [0,1,0,0,0,0|3,0,0]=4 187 B12R2.196 NC1=CC=CC2=C1NN=C2Cl L22302 [0,1,0,0,0,0|3,0,0]=4 188 B12R2.196 NC1=CC=CC2=C1NN=C2I C-2859 [0,1,0,0,0,0|3,0,0]=4 189 B12R2.196 NC1CCC2=C1C=CC=C2Br L22472 [0,1,0,0,0,0|2,0,1]=4 190 B12R2.196 NC1CCC2=C1C=CC=C2Cl P36710 [0,1,0,0,0,0|2,0,1]=4 191 B12R2.196 NC1CCC2=C1C=CC=C2F M23042 [0,1,0,0,0,0|2,0,1]=4 192 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F S72703 [0,1,0,0,0,0|2,0,1]=4 193 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 E-3117 [0,1,0,0,0,0|1,0,0]=2 194 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C-2426 [0,1,0,0,0,0|1,0,0]=2 195 B12R2.196 O=C1CCC2=C1C=CC=C2F P36547 [0,1,0,0,0,0|1,0,0]=2 196 B12R2.196 O=C1COC2=C(Br)C=CC=C12 L22354 [0,1,0,0,0,0|2,0,0]=3 197 B12R2.196 O=C1COC2=C1C=CC=C2F S72794 [0,1,0,0,0,0|2,0,0]=3 198 B12R2.196 O=C1CSC2=C(F)C=CC=C12 L19573 [0,1,0,0,0,0|2,0,0]=3 199 B12R2.196 O=C1NCC2=C1C=CC=C2Br A-616 [0,1,0,0,0,0|1,0,0]=2 200 B12R2.196 O=C1NCC2=C1C=CC=C2O A-651 [0,1,0,0,0,0|1,0,0]=2 201 B12R2.196 O=C1NN=C2C(Cl)=CC=CN12 O31396 [0,1,0,0,0,0|3,0,0]=4 202 B12R2.196 O=C1OCC2=C1C=CC=C2Br P42977 [0,1,0,0,0,0|0,0,0]=1 203 B12R2.196 OC1=NNC2=C1C=CC=C2F M15118 [0,1,0,0,0,0|2,0,1]=4 204 B12R2.196 OC1CCC2=C1C=CC=C2Br P40723 [0,1,0,0,0,0|1,0,2]=4 205 B12R2.196 OC1CCC2=C1C=CC=C2Cl P38853 [0,1,0,0,0,0|1,0,2]=4 206 B12R2.203 BrC1=C2C(=CC=C1)NN=C2I C-2097 [0,1,0,0,0,0|3,0,0]=4 207 B12R2.203 BrC1=NNC2=C1C(I)=CC=C2 M15078 [0,1,0,0,0,0|3,0,0]=4 208 B12R2.203 CC1=CC=CC2=C1C(I)=NN2 O30780 [0,1,0,0,0,0|3,0,0]=4 209 B12R2.203 CC1=CNC2=C1C(F)=CC=C2 Q55308 [0,1,0,0,0,0|3,0,0]=4 210 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 Q55294 [0,1,0,0,0,0|3,0,0]=4 211 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 L13715 [0,1,0,0,0,0|3,0,0]=4 212 B12R2.203 CC1=CNC2=CC=CC(N)=C12 L13255 [0,1,0,0,0,0|3,0,0]=4 213 B12R2.203 CC1=NNC2=CC=CC(Br)=C21 C-2815 [0,1,0,0,0,0|3,0,0]=4 214 B12R2.203 ClC1=CC=CC2=C1C(Br)=NN2 O32913 [0,1,0,0,0,0|3,0,0]=4 215 B12R2.203 ClC1=NNC2=C1C(Br)=CC=C2 O30470 [0,1,0,0,0,0|3,0,0]=4 216 B12R2.203 FC1=CC=CC2=C1C(Br)=CN2 Q52773 [0,1,0,0,0,0|3,0,0]=4 217 B12R2.203 FC1=CC=CC2=C1C(I)=NN2 H-8948 [0,1,0,0,0,0|3,0,0]=4 218 B12R2.203 FC1=CNC2=C1C(Br)=CC=C2 K16149 [0,1,0,0,0,0|3,0,0]=4 219 B12R2.203 IC1=CC=CC2=C1C(I)=NN2 M15085 [0,1,0,0,0,0|3,0,0]=4 220 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 L13702 [0,1,0,0,0,0|1,0,0]=2 221 B12R2.203 NC1=CC=CC2=C1C(=O)CC2 O30109 [0,1,0,0,0,0|1,0,0]=2 222 B12R2.203 NC1=CC=CC2=C1C(Br)=CN2 Q55415 [0,1,0,0,0,0|3,0,0]=4 223 B12R2.203 NC1=CC=CC2=C1C(Cl)=NN2 L18474 [0,1,0,0,0,0|3,0,0]=4 224 B12R2.203 NC1=CC=CC2=C1C(I)=NN2 C-2856 [0,1,0,0,0,0|3,0,0]=4 225 B12R2.203 NC1=NNC2=C1C(Br)=CC=C2 G-6811 [0,1,0,0,0,0|3,0,0]=4 226 B12R2.203 NC1=NNC2=CC=CC(I)=C21 C-2009 [0,1,0,0,0,0|3,0,0]=4 227 B12R2.203 O=C1COC2=CC=CC(Br)=C12 P51087 [0,1,0,0,0,0|2,0,0]=3 228 B12R2.203 O=C1NCC2=C1C(Br)=CC=C2 L22234 [0,1,0,0,0,0|1,0,0]=2 229 B12R2.203 OC1=NNC2=C1C(Br)=CC=C2 Q56599 [0,1,0,0,0,0|2,0,1]=4 230 B12R2.612 BrC1=CC=C2C(=C1)NN=C2I C-2099 [0,1,0,0,0,0|3,0,0]=4 231 B12R2.612 BrC1=CC=C2C(Br)=CSC2=C1 Q67988 [0,1,0,0,0,0|3,0,0]=4 232 B12R2.612 CC1=CC2=C(C=C1)C(I)=NN2 L13630 [0,1,0,0,0,0|3,0,0]=4 233 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 L14882 [0,1,0,0,0,0|3,0,0]=4 234 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 P44314 [0,1,0,0,0,0|3,0,0]=4 235 B12R2.612 CC1=CNC2=CC(N)=CC=C12 L13196 [0,1,0,0,0,0|3,0,0]=4 236 B12R2.612 CC1=NNC2=C1C=CC(I)=C2 G-6456 [0,1,0,0,0,0|3,0,0]=4 237 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 C-2094 [0,1,0,0,0,0|3,0,0]=4 238 B12R2.612 CC1=NNC2=CC(N)=CC=C21 C-2091 [0,1,0,0,0,0|3,0,0]=4 239 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 10152 [0,1,0,0,0,0|2,0,1]=4 240 B12R2.612 ClC1=CC2=C(C=C1)C(Br)=NN2 10575 [0,1,0,0,0,0|3,0,0]=4 241 B12R2.612 ClC1=CC2=C(C=C1)C(I)=NN2 Q53126 [0,1,0,0,0,0|3,0,0]=4 242 B12R2.612 ClC1=NNC2=CC(Br)=CC=C21 L13625 [0,1,0,0,0,0|3,0,0]=4 243 B12R2.612 FC1=CC2=C(C=C1)C(Br)=NN2 O32918 [0,1,0,0,0,0|3,0,0]=4 244 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NN2 L21927 [0,1,0,0,0,0|3,0,0]=4 245 B12R2.612 FC1=CC2=C(C=C1)C(I)=NN2 O30390 [0,1,0,0,0,0|3,0,0]=4 246 B12R2.612 FC1=NNC2=C1C=CC(Br)=C2 Q54547 [0,1,0,0,0,0|3,0,0]=4 247 B12R2.612 IC1=CC2=C(C=C1)C(I)=NN2 M15116 [0,1,0,0,0,0|3,0,0]=4 248 B12R2.612 NC1=CC2=C(C=C1)B(O)OC2 P43935 [0,1,0,0,0,0|1,0,1]=3 249 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 O34341 [0,1,0,0,0,0|2,0,0]=3 250 B12R2.612 NC1=CC2=C(C=C1)C(Br)=NN2 O32920 [0,1,0,0,0,0|3,0,0]=4 251 B12R2.612 NC1=CC2=C(C=C1)C(Cl)=NN2 L18475 [0,1,0,0,0,0|3,0,0]=4 252 B12R2.612 NC1=CC2=C(C=C1)C(I)=NN2 C-2858 [0,1,0,0,0,0|3,0,0]=4 253 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 C-2439 [0,1,0,0,0,0|1,0,0]=2 254 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 P40299 [0,1,0,0,0,0|2,0,1]=4 255 B12R2.612 NC1CCC2=C1C=CC(F)=C2 Q66157 [0,1,0,0,0,0|2,0,1]=4 256 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 O31598 [0,1,0,0,0,0|1,0,0]=2 257 B12R2.612 O=C1COC2=CC(Br)=CC=C12 F-4089 [0,1,0,0,0,0|2,0,0]=3 258 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 P51039 [0,1,0,0,0,0|1,0,0]=2 259 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 O32491 [0,1,0,0,0,0|1,0,0]=2 260 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 M15861 [0,1,0,0,0,0|1,0,0]=2 261 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 D-2558 [0,1,0,0,0,0|1,0,0]=2 262 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 O32593 [0,1,0,0,0,0|2,0,0]=3 263 B12R2.612 O=C1NN=C2C=C(Cl)C=CN12 O31397 [0,1,0,0,0,0|3,0,0]=4 264 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 L21981 [0,1,0,0,0,0|1,0,0]=2 265 B12R2.612 OB1OCC2=C1C=CC(O)=C2 L14767 [0,1,0,0,0,0|1,0,1]=3 266 B12R2.612 OB1OCC2=CC(Cl)=CC=C12 P43395 [0,1,0,0,0,0|1,0,1]=3 267 B12R2.612 OC1=NNC2=C1C=CC(Br)=C2 M15267 [0,1,0,0,0,0|2,0,1]=4 268 B12R2.612 OC1CCC2=C1C=CC(Br)=C2 Q66199 [0,1,0,0,0,0|1,0,2]=4 269 B12R2.2028 CC1OB(O)C2=CC=CC=C21 N27110 [0,1,0,0,0,0|1,0,1]=3 270 B12R2.2028 CN1C=C(Br)C2=C1C=CC=C2 Q54271 [0,1,0,0,0,0|3,0,0]=4 271 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 O31186 [0,1,0,0,0,0|3,0,0]=4 272 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 L14062 [0,1,0,0,0,0|3,0,0]=4 273 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 P50991 [0,1,0,0,0,0|2,0,1]=4 274 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 G-7597 [0,1,0,0,0,0|2,0,1]=4 275 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 O29991 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.15 C#CC(=O)C1=CC=CC=C1 P38531 [0,0,1,0,0,0|1,0,1]=3 277 B10R1.15 C=CC(=O)C1=CC=CC=N1 Q52779 [0,0,1,0,0,0|2,0,1]=4 278 B10R1.15 C=CC(=O)C1=CC=CN=C1 Q52778 [0,0,1,0,0,0|2,0,1]=4 279 B10R1.15 C=CC(=O)C1=CC=NC=C1 Q52777 [0,0,1,0,0,0|2,0,1]=4 280 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [0,0,1,0,0,0|2,0,0]=3 281 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [0,0,1,0,0,0|2,0,0]=3 282 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [0,0,1,0,0,0|2,0,0]=3 283 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [0,0,1,0,0,0|2,0,1]=4 284 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [0,0,1,0,0,0|1,0,2]=4 285 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [0,0,1,0,0,0|2,0,1]=4 286 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [0,0,1,0,0,0|2,0,1]=4 287 B10R1.15 COC(=O)C1=CC=CN=N1 C-2267 [0,0,1,0,0,0|2,0,0]=3 288 B10R1.15 COC(=O)C1=CC=NC=N1 C-2227 [0,0,1,0,0,0|2,0,0]=3 289 B10R1.15 COC(=O)C1=CN=CN=C1 G-7535 [0,0,1,0,0,0|2,0,0]=3 290 B10R1.15 COC(=O)C1=NC=CC=N1 C-3283 [0,0,1,0,0,0|2,0,0]=3 291 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [0,0,1,0,0,0|3,0,0]=4 292 B10R1.15 O=C(CBr)C1=CC=CC=N1 Q58258 [0,0,1,0,0,0|3,0,0]=4 293 B10R1.15 O=C(CBr)C1=CC=CN=C1 Q55443 [0,0,1,0,0,0|3,0,0]=4 294 B10R1.15 O=C(CCl)C1=CC=CN=C1 O29841 [0,0,1,0,0,0|3,0,0]=4 295 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [0,0,1,0,0,0|1,0,0]=2 296 B10R1.17 CNCCC1=CC=CC=C1 P37213 [0,0,1,0,0,0|3,0,0]=4 297 B10R1.17 ICCCC1=CC=CC=C1 P38180 [0,0,1,0,0,0|2,0,1]=4 298 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [0,0,1,0,0,0|2,0,0]=3 299 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [0,0,1,0,0,0|2,0,0]=3 300 B10R1.20 C#CC1=CC=CC=C1C=O P38374 [0,0,1,0,0,0|1,0,1]=3 301 B10R1.20 C#CC1=CC=CC=C1CO O27866 [0,0,1,0,0,0|1,0,1]=3 302 B10R1.20 CCC1=CC=CC=C1C=O O31187 [0,0,1,0,0,0|1,0,0]=2 303 B10R1.20 CCC1=CC=CC=C1CO Q67965 [0,0,1,0,0,0|1,0,1]=3 304 B10R1.20 CNC1=CC=CC=C1CO P39027 [0,0,1,0,0,0|2,0,0]=3 305 B10R1.20 COC1=C(C=O)C=CN=C1 O33532 [0,0,1,0,0,0|3,0,0]=4 306 B10R1.20 COC1=C(C=O)C=NC=C1 N24850 [0,0,1,0,0,0|3,0,0]=4 307 B10R1.20 COC1=C(CO)C=CN=C1 Q55507 [0,0,1,0,0,0|3,0,0]=4 308 B10R1.20 COC1=C(CO)C=NC=C1 O31025 [0,0,1,0,0,0|3,0,0]=4 309 B10R1.20 COC1=CC=CC=C1CBr O30598 [0,0,1,0,0,0|3,0,0]=4 310 B10R1.20 COC1=NC=CC=C1C=O C-3519 [0,0,1,0,0,0|3,0,0]=4 311 B10R1.20 COC1=NC=CC=C1CO I-9302 [0,0,1,0,0,0|3,0,0]=4 312 B10R1.20 N#CC1=C(C=O)C=NC=C1 Q56668 [0,0,1,0,0,0|2,0,1]=4 313 B10R1.20 N#CC1=CC=CN=C1C=O Q54467 [0,0,1,0,0,0|2,0,1]=4 314 B10R1.20 N#CC1=CN=CC=C1C=O Q60382 [0,0,1,0,0,0|2,0,1]=4 315 B10R1.20 N#CC1=NC=CC=C1CO Q58421 [0,0,1,0,0,0|2,0,1]=4 316 B10R1.20 NCC1=CC=CC=C1CO O34255 [0,0,1,0,0,0|1,0,1]=3 317 B10R1.20 OCC1=C(CO)C=NC=C1 G-7502 [0,0,1,0,0,0|1,0,2]=4 318 B10R1.20 OCC1=C(CO)C=NC=C1 L13996 [0,0,1,0,0,0|1,0,2]=4 319 B10R1.20 OCC1=CC=CN=C1CO Q56688 [0,0,1,0,0,0|1,0,2]=4 320 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 G-7564 [0,0,1,0,0,0|3,0,0]=4 321 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Q54381 [0,0,1,0,0,0|3,0,0]=4 322 B10R1.61 CC(=O)C1=CC=CN=C1Br F-4747 [0,0,1,0,0,0|3,0,0]=4 323 B10R1.61 CC(=O)C1=CC=CN=C1C Q52526 [0,0,1,0,0,0|2,0,0]=3 324 B10R1.61 CC(=O)C1=CC=CN=C1F O30900 [0,0,1,0,0,0|3,0,0]=4 325 B10R1.61 CC(=O)C1=CC=CN=C1N Q52860 [0,0,1,0,0,0|3,0,0]=4 326 B10R1.61 CC(=O)C1=CN=CN=C1C Q58769 [0,0,1,0,0,0|3,0,0]=4 327 B10R1.61 CC(=O)C1=NC=CC=C1Cl G-7206 [0,0,1,0,0,0|3,0,0]=4 328 B10R1.61 CC(=O)C1=NC=CC=C1F O30529 [0,0,1,0,0,0|3,0,0]=4 329 B10R1.61 CC(=O)C1=NC=CC=C1O P41694 [0,0,1,0,0,0|3,0,0]=4 330 B10R1.61 CC1=C(B(O)O)C=CN=C1 I-9950 [0,0,1,0,0,0|2,0,1]=4 331 B10R1.61 CC1=C(B(O)O)C=NC=C1 Q66522 [0,0,1,0,0,0|2,0,1]=4 332 B10R1.61 CC1=C(C(=O)O)C=CN=C1 Q56301 [0,0,1,0,0,0|1,0,0]=2 333 B10R1.61 CC1=C(C(=O)O)C=NN=C1 G-5521 [0,0,1,0,0,0|2,0,0]=3 334 B10R1.61 CC1=C(C(=O)O)N=NC=C1 L13035 [0,0,1,0,0,0|2,0,0]=3 335 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 C-3702 [0,0,1,0,0,0|2,0,1]=4 336 B10R1.61 CC1=CC=CC=C1C(C)N P38147 [0,0,1,0,0,0|2,0,1]=4 337 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] G-6919 [0,0,1,0,0,0|2,0,1]=4 338 B10R1.61 CC1=CC=NC=C1C(=O)O G-5539 [0,0,1,0,0,0|1,0,0]=2 339 B10R1.61 CC1=CN=CN=C1C(=O)O O33331 [0,0,1,0,0,0|2,0,0]=3 340 B10R1.61 CC1=NC=CC=C1B(O)O N24577 [0,0,1,0,0,0|2,0,1]=4 341 B10R1.61 CC1=NC=CC=C1B(O)O P43526 [0,0,1,0,0,0|2,0,1]=4 342 B10R1.61 CC1=NC=CC=C1C(=O)O E-3023 [0,0,1,0,0,0|1,0,0]=2 343 B10R1.61 CC1=NC=CC=C1[N+](=O)[O-] C-3336 [0,0,1,0,0,0|2,0,1]=4 344 B10R1.61 CC1=NC=CN=C1C(=O)O G-5660 [0,0,1,0,0,0|2,0,0]=3 345 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 H-8943 [0,0,1,0,0,0|2,0,1]=4 346 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl P41701 [0,0,1,0,0,0|2,0,1]=4 347 B10R1.61 N=C(N)C1=CC=CC=C1F P51589 [0,0,1,0,0,0|3,0,0]=4 348 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 N25046 [0,0,1,0,0,0|3,0,0]=4 349 B10R1.61 NC(=O)C1=C(N)C=CN=C1 C-3535 [0,0,1,0,0,0|3,0,0]=4 350 B10R1.61 NC(=O)C1=CC=CN=C1F N25255 [0,0,1,0,0,0|3,0,0]=4 351 B10R1.61 NC(=O)C1=CC=NC=C1N O34515 [0,0,1,0,0,0|3,0,0]=4 352 B10R1.61 NC(=O)C1=NC=CC=C1N C-3697 [0,0,1,0,0,0|3,0,0]=4 353 B10R1.61 NC1=C(C(=O)O)C=CN=C1 G-6779 [0,0,1,0,0,0|2,0,0]=3 354 B10R1.61 NC1=C(C(=O)O)C=NC=C1 G-5409 [0,0,1,0,0,0|2,0,0]=3 355 B10R1.61 NC1=C(C(=O)O)N=CN=C1 Q57220 [0,0,1,0,0,0|3,0,0]=4 356 B10R1.61 NC1=CC=CN=C1C(=O)O C-3331 [0,0,1,0,0,0|2,0,0]=3 357 B10R1.61 NC1=NN=CC=C1C(=O)O M15199 [0,0,1,0,0,0|3,0,0]=4 358 B10R1.61 O=C(Cl)C1=CC=CN=C1Br N24418 [0,0,1,0,0,0|3,0,0]=4 359 B10R1.61 O=C(Cl)C1=CC=CN=C1F N25171 [0,0,1,0,0,0|3,0,0]=4 360 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 E-3001 [0,0,1,0,0,0|2,0,0]=3 361 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 G-5495 [0,0,1,0,0,0|2,0,0]=3 362 B10R1.61 O=C(O)C1=C(Br)N=CN=C1 H-8378 [0,0,1,0,0,0|3,0,0]=4 363 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 H-8359 [0,0,1,0,0,0|2,0,0]=3 364 B10R1.61 O=C(O)C1=C(Cl)N=CN=C1 H-8380 [0,0,1,0,0,0|3,0,0]=4 365 B10R1.61 O=C(O)C1=C(F)C=NC=C1 G-7559 [0,0,1,0,0,0|2,0,0]=3 366 B10R1.61 O=C(O)C1=C(I)C=NC=C1 O31943 [0,0,1,0,0,0|2,0,0]=3 367 B10R1.61 O=C(O)C1=CN=CC=C1F O34100 [0,0,1,0,0,0|2,0,0]=3 368 B10R1.61 O=C(O)C1=CN=CNC1=O H-8379 [0,0,1,0,0,0|3,0,0]=4 369 B10R1.61 O=C(O)C1=NC=CC=C1F H-8045 [0,0,1,0,0,0|2,0,0]=3 370 B10R1.61 O=C(O)C1=NC=CC=C1O I-9324 [0,0,1,0,0,0|2,0,0]=3 371 B10R1.61 O=C(O)C1=NC=CN=C1Br S70901 [0,0,1,0,0,0|3,0,0]=4 372 B10R1.61 O=C(O)C1=NC=CN=C1Cl G-5403 [0,0,1,0,0,0|3,0,0]=4 373 B10R1.61 O=C(O)C1=NC=CN=C1I O29988 [0,0,1,0,0,0|3,0,0]=4 374 B10R1.61 O=C(O)C1=NC=CN=C1O C-3727 [0,0,1,0,0,0|3,0,0]=4 375 B10R1.61 O=C(O)C1=NC=NC=C1Cl P51523 [0,0,1,0,0,0|3,0,0]=4 376 B10R1.61 O=C(O)C1=NC=NC=C1F O33158 [0,0,1,0,0,0|3,0,0]=4 377 B10R1.61 OB(O)C1=CC=CC=C1I Q67114 [0,0,1,0,0,0|2,0,1]=4 378 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [0,0,0,0,1,0|1,0,1]=3 379 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 G-5331 [0,0,0,0,0,1|2,0,1]=4 380 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 I-9601 [0,0,0,0,0,1|2,0,1]=4 381 B12R2.24 ClC1=NC=C2C=CC=CC2=N1 O30754 [0,0,0,0,0,1|2,0,1]=4 382 B12R2.24 NC1=NC=C2C=CC=CC2=N1 O30639 [0,0,0,0,0,1|2,0,1]=4 383 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 C-3537 [0,0,0,0,0,1|2,0,1]=4 384 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [0,0,0,0,0,1|1,0,0]=2 385 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 I-9788 [0,0,0,0,0,1|2,0,0]=3 386 B12R2.24 O=C1CCC2=CC=CN=C2N1 C-3538 [0,0,0,0,0,1|2,0,0]=3 387 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [0,0,0,0,0,1|2,0,0]=3 388 B12R2.24 O=C1COC2=NC=CC=C2N1 Q70041 [0,0,0,0,0,1|3,0,0]=4 389 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 P51461 [0,0,0,0,0,1|2,0,0]=3 390 B12R2.24 O=C1CSC2=NC=CC=C2N1 L19465 [0,0,0,0,0,1|3,0,0]=4 391 B12R2.24 OC1=CC2=CC=CC=C2C=N1 G-6644 [0,0,0,0,0,1|1,0,2]=4 392 B12R2.24 OC1=CC2=CC=CC=C2N=C1 Q67519 [0,0,0,0,0,1|2,0,1]=4 393 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,0,0,0,0,1|1,0,2]=4 394 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,0,0,0,0,1|1,0,2]=4 395 B12R2.24 SC1=CC2=CC=CC=C2N=C1 O29500 [0,0,0,0,0,1|2,1,0]=4 396 B12R2.1081 BrC1=C2C=CC=CC2=CN=C1 Q55475 [0,0,0,0,0,1|2,0,1]=4 397 B12R2.1081 BrC1=NC=CC2=C1C=CC=C2 O31180 [0,0,0,0,0,1|2,0,1]=4 398 B12R2.1081 CC1=CN=CC2=C1C=CC=C2 O29973 [0,0,0,0,0,1|2,0,1]=4 399 B12R2.1081 ClC1=C2C=CC=CC2=NC=N1 O32308 [0,0,0,0,0,1|2,0,1]=4 400 B12R2.1081 ClC1=C2C=CC=CC2=NN=C1 L21175 [0,0,0,0,0,1|3,0,0]=4 401 B12R2.1081 ClC1=CN=CC2=C1C=CC=C2 O30742 [0,0,0,0,0,1|2,0,1]=4 402 B12R2.1081 FC1=C2C=CC=CC2=NC=N1 O31497 [0,0,0,0,0,1|2,0,1]=4 403 B12R2.1081 IC1=C2C=CC=CC2=NC=N1 O29288 [0,0,0,0,0,1|2,0,1]=4 404 B12R2.1081 IC1=NC=CC2=C1C=CC=C2 Q67671 [0,0,0,0,0,1|2,0,1]=4 405 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 M15516 [0,0,0,0,0,1|2,0,1]=4 406 B12R2.1081 NC1CCOC2=CC=CC=C21 P37556 [0,0,0,0,0,1|2,0,1]=4 407 B12R2.1081 NC1COCC2=C1C=CC=C2 G-7548 [0,0,0,0,0,1|1,0,1]=3 408 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 O34575 [0,0,0,0,0,1|2,0,1]=4 409 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 O34290 [0,0,0,0,0,1|2,0,1]=4 410 B12R2.1081 O=C1C=CNC2=C1C=CN=C2 C-3638 [0,0,0,0,0,1|2,0,1]=4 411 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 Q65380 [0,0,0,0,0,1|2,0,0]=3 412 B12R2.1081 O=C1CCCC2=C1C=CN=C2 M15496 [0,0,0,0,0,1|2,0,0]=3 413 B12R2.1081 O=C1CCCC2=C1C=NC=C2 M15791 [0,0,0,0,0,1|2,0,0]=3 414 B12R2.1081 O=C1CCCC2=C1N=CC=C2 P43242 [0,0,0,0,0,1|2,0,0]=3 415 B12R2.1081 O=C1CCCC2=NC=CC=C12 C-3495 [0,0,0,0,0,1|2,0,0]=3 416 B12R2.1081 O=C1CCNC2=C1C=CC=C2 B-1121 [0,0,0,0,0,1|1,0,0]=2 417 B12R2.1081 O=C1CCNC2=C1C=CC=C2 O34422 [0,0,0,0,0,1|1,0,0]=2 418 B12R2.1081 O=C1CCNC2=NC=CC=C12 D-2570 [0,0,0,0,0,1|2,0,0]=3 419 B12R2.1081 O=C1COCC2=CC=CC=C12 C-2359 [0,0,0,0,0,1|0,0,0]=1 420 B12R2.1081 O=C1N=CNC2=CC=CN=C12 I-9295 [0,0,0,0,0,1|2,0,1]=4 421 B12R2.1081 O=C1NC=CC2=C1C=NC=C2 C-2346 [0,0,0,0,0,1|2,0,1]=4 422 B12R2.1081 O=C1NC=CC2=C1N=CC=C2 A-731 [0,0,0,0,0,1|2,0,1]=4 423 B12R2.1081 O=C1NC=NC2=CC=NC=C12 G-6780 [0,0,0,0,0,1|2,0,1]=4 424 B12R2.1081 O=C1NC=NC2=NC=CC=C12 C-2354 [0,0,0,0,0,1|2,0,1]=4 425 B12R2.1081 O=C1NCCC2=C1C=CC=C2 O30459 [0,0,0,0,0,1|1,0,0]=2 426 B12R2.1081 O=C1NCCC2=C1C=CC=N2 O29792 [0,0,0,0,0,1|2,0,0]=3 427 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 O30770 [0,0,0,0,0,1|1,0,2]=4 428 B12R2.1081 OC1=NC=CC2=C1C=CC=C2 P51313 [0,0,0,0,0,1|1,0,2]=4 429 B12R2.1081 OC1=NC=NC2=C1C=CC=C2 G-7025 [0,0,0,0,0,1|1,0,2]=4 430 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [1,0,1,0,0,0|1,0,0]=3 431 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [1,0,1,0,0,0|2,0,0]=4 432 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [1,0,1,0,0,0|2,0,0]=4 433 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [1,0,1,0,0,0|2,0,0]=4 434 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [1,0,1,0,0,0|2,0,0]=4 435 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [1,0,1,0,0,0|2,0,0]=4 436 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [1,0,1,0,0,0|2,0,0]=4 437 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [1,0,1,0,0,0|2,0,0]=4 438 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [1,0,1,0,0,0|2,0,0]=4 439 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [1,0,1,0,0,0|2,0,0]=4 440 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [1,0,1,0,0,0|2,0,0]=4 441 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [1,0,1,0,0,0|2,0,0]=4 442 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [1,0,1,0,0,0|2,0,0]=4 443 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [1,0,1,0,0,0|2,0,0]=4 444 B9R1.8 NNCC1=CC=CC=C1 P43525 [1,0,1,0,0,0|2,0,0]=4 445 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [1,0,1,0,0,0|1,0,0]=3 446 B9R1.15 C#CC1=CC=CC=C1C O28000 [1,0,1,0,0,0|1,0,1]=4 447 B9R1.15 C#CC1=CC=CC=C1O O30353 [1,0,1,0,0,0|1,0,1]=4 448 B9R1.15 C(=O)C1=C(O)C=CN=C1 Q57085 [1,0,1,0,0,0|1,0,0]=3 449 B9R1.15 C(=O)C1=CC=CN=C1C C-2892 [1,0,1,0,0,0|1,0,0]=3 450 B9R1.15 C(=O)C1=CC=CN=C1N E-3082 [1,0,1,0,0,0|2,0,0]=4 451 B9R1.15 C(=O)C1=CN=CC=C1C C-2893 [1,0,1,0,0,0|1,0,0]=3 452 B9R1.15 C=CC1=C(C)N=CC=C1 L14938 [1,0,1,0,0,0|2,0,0]=4 453 B9R1.15 C=CC1=CC=CC=C1N O30540 [1,0,1,0,0,0|2,0,0]=4 454 B9R1.15 CC1=C(C=O)N=CC=C1 G-5812 [1,0,1,0,0,0|1,0,0]=3 455 B9R1.15 CC1=C(CO)C=NC=C1 G-7931 [1,0,1,0,0,0|1,0,1]=4 456 B9R1.15 CC1=C(CO)N=CC=C1 Q62329 [1,0,1,0,0,0|1,0,1]=4 457 B9R1.15 CC1=CN=CC=C1CO C-2894 [1,0,1,0,0,0|1,0,1]=4 458 B9R1.15 CC1=NC=CC=C1CO 10789 [1,0,1,0,0,0|1,0,1]=4 459 B9R1.15 CC1=NC=NC=C1C=O Q60398 [1,0,1,0,0,0|2,0,0]=4 460 B9R1.15 NC1=C(C=O)C=CN=C1 I-9640 [1,0,1,0,0,0|2,0,0]=4 461 B9R1.15 NC1=C(C=O)C=NC=C1 Q51902 [1,0,1,0,0,0|2,0,0]=4 462 B9R1.15 NC1=C(CO)C=NC=C1 O34460 [1,0,1,0,0,0|2,0,0]=4 463 B9R1.15 NC1=CC=CC=C1CO G-7793 [1,0,1,0,0,0|1,0,0]=3 464 B9R1.15 NC1=NC=CC=C1CO O32321 [1,0,1,0,0,0|2,0,0]=4 465 B9R1.15 NCC1=CC=CC=C1Br P38336 [1,0,1,0,0,0|2,0,0]=4 466 B9R1.15 NCC1=CC=CC=C1I P38307 [1,0,1,0,0,0|2,0,0]=4 467 B9R1.15 O=C1NC=CC=C1CO L18304 [1,0,1,0,0,0|1,0,0]=3 468 B9R1.15 O=CC1=C(Br)C=CN=C1 L14209 [1,0,1,0,0,0|2,0,0]=4 469 B9R1.15 O=CC1=C(Br)C=CN=C1 L21843 [1,0,1,0,0,0|2,0,0]=4 470 B9R1.15 O=CC1=C(Br)C=CN=C1 N24911 [1,0,1,0,0,0|2,0,0]=4 471 B9R1.15 O=CC1=C(Br)C=NC=C1 Q66929 [1,0,1,0,0,0|2,0,0]=4 472 B9R1.15 O=CC1=C(Br)C=NC=C1 Q67986 [1,0,1,0,0,0|2,0,0]=4 473 B9R1.15 O=CC1=C(Cl)C=CN=C1 G-7008 [1,0,1,0,0,0|2,0,0]=4 474 B9R1.15 O=CC1=C(Cl)C=CN=C1 N24210 [1,0,1,0,0,0|2,0,0]=4 475 B9R1.15 O=CC1=C(Cl)C=NC=C1 N27329 [1,0,1,0,0,0|2,0,0]=4 476 B9R1.15 O=CC1=C(F)C=CN=C1 Q56666 [1,0,1,0,0,0|2,0,0]=4 477 B9R1.15 O=CC1=C(I)C=CC=C1 G-5775 [1,0,1,0,0,0|1,0,0]=3 478 B9R1.15 O=CC1=NC=CC=C1Br O31907 [1,0,1,0,0,0|2,0,0]=4 479 B9R1.15 O=CC1=NC=CC=C1Cl O31967 [1,0,1,0,0,0|2,0,0]=4 480 B9R1.15 O=CC1=NC=CC=C1F Q66589 [1,0,1,0,0,0|2,0,0]=4 481 B9R1.15 O=CC1=NC=CC=C1O L22205 [1,0,1,0,0,0|1,0,0]=3 482 B9R1.15 OCC1=C(Br)C=CN=C1 N25303 [1,0,1,0,0,0|2,0,0]=4 483 B9R1.15 OCC1=C(Br)C=CN=C1 N25521 [1,0,1,0,0,0|2,0,0]=4 484 B9R1.15 OCC1=C(Br)C=CN=C1 N25828 [1,0,1,0,0,0|2,0,0]=4 485 B9R1.15 OCC1=C(Br)C=NC=C1 P41171 [1,0,1,0,0,0|2,0,0]=4 486 B9R1.15 OCC1=C(Cl)C=CN=C1 O31919 [1,0,1,0,0,0|2,0,0]=4 487 B9R1.15 OCC1=C(Cl)C=NC=C1 P36007 [1,0,1,0,0,0|2,0,0]=4 488 B9R1.15 OCC1=C(F)C=CN=C1 L14446 [1,0,1,0,0,0|2,0,0]=4 489 B9R1.15 OCC1=C(F)C=CN=C1 Q55508 [1,0,1,0,0,0|2,0,0]=4 490 B9R1.15 OCC1=C(F)C=NC=C1 G-5482 [1,0,1,0,0,0|2,0,0]=4 491 B9R1.15 OCC1=CC=CN=C1Br P41707 [1,0,1,0,0,0|2,0,0]=4 492 B9R1.15 OCC1=CC=CN=C1Cl C-3458 [1,0,1,0,0,0|2,0,0]=4 493 B9R1.15 OCC1=CC=CN=C1F Q67775 [1,0,1,0,0,0|2,0,0]=4 494 B9R1.15 OCC1=NC=CC=C1F C-2822 [1,0,1,0,0,0|2,0,0]=4 495 B9R1.15 OCC1=NC=CC=C1O P41369 [1,0,1,0,0,0|1,0,1]=4 496 B11R1.16 CCCC(=O)C1=CC=CN=C1 P40625 [0,1,1,0,0,0|2,0,0]=4 497 B11R1.16 CCOC(=N)C1=CC=NC=C1 O30241 [0,1,1,0,0,0|2,0,0]=4 498 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [0,1,1,0,0,0|1,0,1]=4 499 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [0,1,1,0,0,0|1,0,1]=4 500 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [0,1,1,0,0,0|1,0,1]=4 501 B11R1.16 CONC(=O)C1=CC=CC=C1 Q65648 [0,1,1,0,0,0|0,0,0]=2 502 B11R1.22 C#CC(=O)C1=CC=C(Cl)C=C1 P39524 [0,1,1,0,0,0|1,0,1]=4 503 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 P40808 [0,1,1,0,0,0|2,0,0]=4 504 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [0,1,1,0,0,0|2,0,0]=4 505 B11R1.22 CNC(=O)C1=CC=C(Br)N=C1 P35629 [0,1,1,0,0,0|2,0,0]=4 506 B11R1.22 CNC(=O)C1=CC=C(N)N=C1 S72671 [0,1,1,0,0,0|2,0,0]=4 507 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 P50985 [0,1,1,0,0,0|2,0,0]=4 508 B11R1.22 CNC(=O)C1=NC=C(O)C=C1 O30530 [0,1,1,0,0,0|2,0,0]=4 509 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 C-3212 [0,1,1,0,0,0|1,0,0]=3 510 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 C-3291 [0,1,1,0,0,0|2,0,0]=4 511 B11R1.22 COC(=O)C1=CC=C(N)C=N1 C-2286 [0,1,1,0,0,0|1,0,0]=3 512 B11R1.22 COC(=O)C1=CC=C(O)N=N1 C-2379 [0,1,1,0,0,0|2,0,0]=4 513 B11R1.22 COC(=O)C1=CC=C(S)N=C1 H-8392 [0,1,1,0,0,0|1,0,0]=3 514 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 Q64835 [0,1,1,0,0,0|2,0,0]=4 515 B11R1.22 COC(=O)C1=CN=C(C)N=C1 L13555 [0,1,1,0,0,0|2,0,0]=4 516 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 C-2772 [0,1,1,0,0,0|2,0,0]=4 517 B11R1.22 COC(=O)C1=CN=C(F)C=C1 Q66489 [0,1,1,0,0,0|1,0,0]=3 518 B11R1.22 COC(=O)C1=CN=C(N)C=N1 C-3306 [0,1,1,0,0,0|2,0,0]=4 519 B11R1.22 COC(=O)C1=CN=C(O)C=C1 G-5577 [0,1,1,0,0,0|1,0,0]=3 520 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 O30862 [0,1,1,0,0,0|2,0,0]=4 521 B11R1.22 COC(=O)C1=NC=C(C)C=N1 G-5731 [0,1,1,0,0,0|2,0,0]=4 522 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 G-5538 [0,1,1,0,0,0|2,0,0]=4 523 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Q54927 [0,1,1,0,0,0|1,0,0]=3 524 B11R1.22 COC(=O)C1=NC=C(F)C=N1 O34307 [0,1,1,0,0,0|2,0,0]=4 525 B11R1.22 COC(=O)C1=NC=C(N)C=N1 C-2775 [0,1,1,0,0,0|2,0,0]=4 526 B11R1.22 COC(=O)C1=NC=C(N)C=N1 G-5008 [0,1,1,0,0,0|2,0,0]=4 527 B11R1.22 COC(=O)C1=NC=C(N)N=C1 O31116 [0,1,1,0,0,0|2,0,0]=4 528 B11R1.22 COC(=O)C1=NC=C(O)C=C1 G-5601 [0,1,1,0,0,0|1,0,0]=3 529 B11R1.22 COC(=O)C1=NC=C(O)C=N1 Q55461 [0,1,1,0,0,0|2,0,0]=4 530 B11R1.22 COC(=O)C1=NN=C(N)C=C1 G-5477 [0,1,1,0,0,0|2,0,0]=4 531 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [0,1,1,0,0,0|2,0,0]=4 532 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 O31201 [0,1,1,0,0,0|2,0,0]=4 533 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 P35986 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.23 C#CC(=O)C1=CC=CC(Cl)=C1 P38720 [0,1,1,0,0,0|1,0,1]=4 535 B11R1.23 CC1=CC(C(=O)CBr)=CC=C1 O28559 [0,1,1,0,0,0|2,0,0]=4 536 B11R1.23 COC(=O)C1=CC(C)=CN=C1 Q66697 [0,1,1,0,0,0|1,0,0]=3 537 B11R1.23 COC(=O)C1=CC(C)=CN=N1 L22161 [0,1,1,0,0,0|2,0,0]=4 538 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 G-7304 [0,1,1,0,0,0|2,0,0]=4 539 B11R1.23 COC(=O)C1=CC(F)=CN=C1 C-2951 [0,1,1,0,0,0|1,0,0]=3 540 B11R1.23 COC(=O)C1=CC(N)=NC=N1 I-9515 [0,1,1,0,0,0|2,0,0]=4 541 B11R1.23 COC(=O)C1=CC(O)=CN=C1 P45785 [0,1,1,0,0,0|1,0,0]=3 542 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 Q66806 [0,1,1,0,0,0|0,0,0]=2 543 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 C-3476 [0,1,1,0,0,0|2,0,0]=4 544 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 G-5883 [0,1,1,0,0,0|2,0,0]=4 545 B11R1.23 COC(=O)C1=NC(F)=CC=C1 Q68381 [0,1,1,0,0,0|1,0,0]=3 546 B11R1.23 COC(=O)C1=NC(O)=NC=C1 S72664 [0,1,1,0,0,0|2,0,0]=4 547 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 E-3030 [0,1,1,0,0,0|1,0,0]=3 548 B11R1.23 COC(=O)C1=NC=CC(C)=C1 M15778 [0,1,1,0,0,0|1,0,0]=3 549 B11R1.23 COC(=O)C1=NC=CC(C)=N1 L14173 [0,1,1,0,0,0|2,0,0]=4 550 B11R1.23 COC(=O)C1=NC=CC(F)=C1 L22462 [0,1,1,0,0,0|1,0,0]=3 551 B11R1.23 COC(=O)C1=NC=CC(N)=C1 G-6744 [0,1,1,0,0,0|1,0,0]=3 552 B11R1.23 COC(=O)C1=NC=CC(N)=C1 M23610 [0,1,1,0,0,0|1,0,0]=3 553 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P44278 [0,1,1,0,0,0|2,0,0]=4 554 B11R1.23 COC(=O)C1=NC=NC(Cl)=C1 L14015 [0,1,1,0,0,0|2,0,0]=4 555 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 P37041 [0,1,1,0,0,0|2,0,0]=4 556 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 P37749 [0,1,1,0,0,0|2,0,0]=4 557 B11R1.23 NCC(=O)C1=CC=CC(F)=C1 P35035 [0,1,1,0,0,0|2,0,0]=4 558 B11R1.23 NCC(=O)C1=CC=CC(O)=C1 P41173 [0,1,1,0,0,0|2,0,0]=4 559 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 L20820 [0,1,1,0,0,0|2,0,0]=4 560 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 P51224 [0,1,1,0,0,0|2,0,0]=4 561 B11R1.222 C#CC(=O)C1=CC=CC=C1Cl M23022 [0,1,1,0,0,0|1,0,1]=4 562 B11R1.222 CC1=CC=CC=C1C(=O)CBr O28087 [0,1,1,0,0,0|2,0,0]=4 563 B11R1.222 CNC(=O)C1=CC=CC=C1Br P37075 [0,1,1,0,0,0|1,0,0]=3 564 B11R1.222 CNC(=O)C1=CC=CC=C1C O32523 [0,1,1,0,0,0|1,0,0]=3 565 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 N25636 [0,1,1,0,0,0|1,0,0]=3 566 B11R1.222 COC(=O)C1=C(Br)N=CN=C1 H-8377 [0,1,1,0,0,0|2,0,0]=4 567 B11R1.222 COC(=O)C1=C(C)C=NC=C1 G-7865 [0,1,1,0,0,0|1,0,0]=3 568 B11R1.222 COC(=O)C1=C(C)C=NN=C1 G-7306 [0,1,1,0,0,0|2,0,0]=4 569 B11R1.222 COC(=O)C1=C(C)N=CC=C1 I-9174 [0,1,1,0,0,0|1,0,0]=3 570 B11R1.222 COC(=O)C1=C(Cl)C=NC=C1 N25043 [0,1,1,0,0,0|1,0,0]=3 571 B11R1.222 COC(=O)C1=C(F)C=NC=C1 G-7746 [0,1,1,0,0,0|1,0,0]=3 572 B11R1.222 COC(=O)C1=C(F)N=CC=C1 Q66492 [0,1,1,0,0,0|1,0,0]=3 573 B11R1.222 COC(=O)C1=C(I)C=NC=C1 G-6795 [0,1,1,0,0,0|1,0,0]=3 574 B11R1.222 COC(=O)C1=C(N)C=NC=N1 Q65333 [0,1,1,0,0,0|2,0,0]=4 575 B11R1.222 COC(=O)C1=C(O)C=NC=C1 O30771 [0,1,1,0,0,0|1,0,0]=3 576 B11R1.222 COC(=O)C1=CC=CN=C1Br Q67675 [0,1,1,0,0,0|1,0,0]=3 577 B11R1.222 COC(=O)C1=CC=CN=C1I O30553 [0,1,1,0,0,0|1,0,0]=3 578 B11R1.222 COC(=O)C1=CC=NC=C1N C-3596 [0,1,1,0,0,0|1,0,0]=3 579 B11R1.222 COC(=O)C1=CC=NNC1=O L14296 [0,1,1,0,0,0|2,0,0]=4 580 B11R1.222 COC(=O)C1=CN=CN=C1Cl H-8381 [0,1,1,0,0,0|2,0,0]=4 581 B11R1.222 COC(=O)C1=NC=CC=C1Cl Q68224 [0,1,1,0,0,0|1,0,0]=3 582 B11R1.222 COC(=O)C1=NC=CC=C1F Q68214 [0,1,1,0,0,0|1,0,0]=3 583 B11R1.222 COC(=O)C1=NC=CN=C1Br Q51827 [0,1,1,0,0,0|2,0,0]=4 584 B11R1.222 COC(=O)C1=NC=CN=C1Cl C-3373 [0,1,1,0,0,0|2,0,0]=4 585 B11R1.222 COC(=O)C1=NC=CN=C1F L18388 [0,1,1,0,0,0|2,0,0]=4 586 B11R1.222 NCC(=O)C1=CC=CC=C1Br P35565 [0,1,1,0,0,0|2,0,0]=4 587 B11R1.222 NCC(=O)C1=CC=CC=C1Cl P40753 [0,1,1,0,0,0|2,0,0]=4 588 B11R1.222 NCC(=O)C1=CC=CC=C1O P37785 [0,1,1,0,0,0|2,0,0]=4 589 B11R1.222 O=C(CBr)C1=CC=CC=C1Br P37875 [0,1,1,0,0,0|2,0,0]=4 590 B11R1.222 O=C(CF)C1=CC=CC=C1F P51651 [0,1,1,0,0,0|2,0,0]=4 591 B11R1.1 CCOCC1=CC=C(Br)C=C1 Q68272 [0,1,1,0,0,0|1,0,1]=4 592 B11R1.17 O=C\C=C\C1=CC=CC=C1F O29957 [0,1,1,0,0,0|1,0,1]=4 593 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [0,1,1,0,0,0|1,0,1]=4 594 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [0,1,1,0,0,0|1,0,1]=4 595 B11R1.28 N#CCOCC1=CC=CC=C1 P41519 [0,1,1,0,0,0|1,0,1]=4 596 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [0,1,1,0,0,0|0,0,0]=2 597 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [0,1,1,0,0,0|2,0,0]=4 598 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,1,1,0,0,0|1,0,1]=4 599 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,1,1,0,0,0|2,0,0]=4 600 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,1,1,0,0,0|2,0,0]=4 601 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,1,1,0,0,0|2,0,0]=4 602 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,1,1,0,0,0|2,0,0]=4 603 B11R1.37 C#CC1=CC(F)=CC=C1C=O P36277 [0,1,1,0,0,0|1,0,1]=4 604 B11R1.37 CCC1=C(C=O)C=CC(Br)=C1 N24420 [0,1,1,0,0,0|1,0,0]=3 605 B11R1.37 CCC1=C(C=O)C=CC(C)=N1 Q60297 [0,1,1,0,0,0|2,0,0]=4 606 B11R1.37 CCC1=C(CO)C=CC(Br)=C1 N25543 [0,1,1,0,0,0|1,0,1]=4 607 B11R1.37 COC1=CC(Br)=CC=C1CO P40595 [0,1,1,0,0,0|2,0,0]=4 608 B11R1.37 COC1=CC(C)=CC=C1C=O Q67836 [0,1,1,0,0,0|2,0,0]=4 609 B11R1.37 COC1=CC(C)=CC=C1CO O29222 [0,1,1,0,0,0|2,0,0]=4 610 B11R1.37 COC1=CC(F)=CC=C1C=O Q67688 [0,1,1,0,0,0|2,0,0]=4 611 B11R1.37 COC1=CC(F)=CC=C1CO N24144 [0,1,1,0,0,0|2,0,0]=4 612 B11R1.37 COC1=CC(O)=CC=C1C=O Q68147 [0,1,1,0,0,0|2,0,0]=4 613 B11R1.37 COC1=CC=C(Br)C=C1CO Q67815 [0,1,1,0,0,0|2,0,0]=4 614 B11R1.37 COC1=CC=C(C)C=C1C=O Q67087 [0,1,1,0,0,0|2,0,0]=4 615 B11R1.37 COC1=CC=C(C)C=C1CO Q67516 [0,1,1,0,0,0|2,0,0]=4 616 B11R1.37 COC1=CC=C(Cl)C=C1CO N25307 [0,1,1,0,0,0|2,0,0]=4 617 B11R1.37 COC1=CC=C(O)C=C1C=O N24958 [0,1,1,0,0,0|2,0,0]=4 618 B11R1.37 CSC1=C(C=O)C=C(I)C=C1 N26603 [0,1,1,0,0,0|2,0,0]=4 619 B11R1.37 CSC1=CC(C)=CC=C1C=O N26779 [0,1,1,0,0,0|2,0,0]=4 620 B11R1.37 CSC1=CC=C(Cl)C=C1C=O N26845 [0,1,1,0,0,0|2,0,0]=4 621 B11R1.37 CSC1=CC=C(F)C=C1C=O N25310 [0,1,1,0,0,0|2,0,0]=4 622 B11R1.37 CSC1=CC=C(F)C=C1CO N25683 [0,1,1,0,0,0|2,0,0]=4 623 B11R1.41 CCCC1=C(C=O)C=CC=N1 Q60346 [0,1,1,0,0,0|2,0,0]=4 624 B11R1.41 CCOC1=NC=CC=C1C=O Q66660 [0,1,1,0,0,0|2,0,0]=4 625 B11R1.53 C#CC1=CC=CC=C1C(=O)O O28760 [0,1,1,0,0,0|1,0,1]=4 626 B11R1.53 C#CC1=CC=CC=C1C(C)=O O29479 [0,1,1,0,0,0|1,0,1]=4 627 B11R1.53 C#CC1=CC=CC=C1C(N)=O O29403 [0,1,1,0,0,0|1,0,1]=4 628 B11R1.53 CC(C)C1=C(C=O)C=CC=N1 Q60359 [0,1,1,0,0,0|2,0,0]=4 629 B11R1.53 CC(C)C1=C(C=O)N=CC=C1 Q62375 [0,1,1,0,0,0|2,0,0]=4 630 B11R1.53 CC(C)C1=CC=NC=C1C=O Q60343 [0,1,1,0,0,0|2,0,0]=4 631 B11R1.53 CCC1=CN=CC=C1C(=O)O Q60755 [0,1,1,0,0,0|2,0,0]=4 632 B11R1.53 CN(C)C1=CC=CC=C1C=O Q68631 [0,1,1,0,0,0|2,0,0]=4 633 B11R1.53 COC1=CC=CC=C1C(N)=O P39422 [0,1,1,0,0,0|2,0,0]=4 634 B11R1.53 NCC1=CC=CC=C1C(=O)O O28742 [0,1,1,0,0,0|1,0,0]=3 635 B11R1.53 NCC1=CC=CC=C1[N+](=O)[O-] P39381 [0,1,1,0,0,0|2,0,0]=4 636 B11R1.53 O=C(O)C1=CC=CC=C1CO O34075 [0,1,1,0,0,0|0,0,0]=2 637 B11R1.53 O=CC1=C(C(=O)O)C=NC=C1 P44466 [0,1,1,0,0,0|1,0,1]=4 638 B11R1.53 O=CC1=C(C(=O)O)N=CC=C1 Q60211 [0,1,1,0,0,0|1,0,1]=4 639 B11R1.53 O=CC1=CN=CC=C1C(=O)O Q60210 [0,1,1,0,0,0|1,0,1]=4 640 B11R1.53 O=CC1=NC=CC=C1C(=O)O Q60213 [0,1,1,0,0,0|1,0,1]=4 641 B11R1.265 COC1=C(Br)C=CC=C1C=O Q67032 [0,1,1,0,0,0|2,0,0]=4 642 B11R1.265 COC1=C(Br)C=CC=C1CO N25489 [0,1,1,0,0,0|2,0,0]=4 643 B11R1.265 COC1=C(C)C=CC=C1C=O Q68397 [0,1,1,0,0,0|2,0,0]=4 644 B11R1.265 COC1=C(C=O)C=CC=C1O N25134 [0,1,1,0,0,0|2,0,0]=4 645 B11R1.265 COC1=C(CO)C(F)=CC=C1 Q67586 [0,1,1,0,0,0|2,0,0]=4 646 B11R1.265 COC1=C(CO)C=CC=C1C N25714 [0,1,1,0,0,0|2,0,0]=4 647 B11R1.265 COC1=C(F)C=CC=C1C=O Q67075 [0,1,1,0,0,0|2,0,0]=4 648 B11R1.265 COC1=C(F)C=CC=C1CO Q68346 [0,1,1,0,0,0|2,0,0]=4 649 B11R1.265 COC1=CC=CC(Br)=C1C=O N24658 [0,1,1,0,0,0|2,0,0]=4 650 B11R1.265 COC1=CC=CC(Br)=C1CO N25260 [0,1,1,0,0,0|2,0,0]=4 651 B11R1.265 CSC1=C(Br)C=CC=C1C=O N26549 [0,1,1,0,0,0|2,0,0]=4 652 B11R1.265 CSC1=C(Br)C=CC=C1CO N27624 [0,1,1,0,0,0|2,0,0]=4 653 B11R1.265 CSC1=C(C=O)C(Cl)=CC=C1 N24853 [0,1,1,0,0,0|2,0,0]=4 654 B11R1.265 CSC1=C(C=O)C=CC=C1Cl N27225 [0,1,1,0,0,0|2,0,0]=4 655 B11R1.265 CSC1=C(CO)C(Cl)=CC=C1 N25818 [0,1,1,0,0,0|2,0,0]=4 656 B11R1.265 CSC1=C(F)C=CC=C1C=O Q68049 [0,1,1,0,0,0|2,0,0]=4 657 B11R1.265 CSC1=CC=CC(Br)=C1C=O N27334 [0,1,1,0,0,0|2,0,0]=4 658 B11R1.265 CSC1=CC=CC(Br)=C1CO N27581 [0,1,1,0,0,0|2,0,0]=4 659 B11R1.265 CSC1=CC=CC(F)=C1C=O N25474 [0,1,1,0,0,0|2,0,0]=4 660 B11R1.156 CC1=C(C(=O)O)C(Br)=CN=C1 Q64763 [0,1,1,0,0,0|1,0,0]=3 661 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=C1 I-9230 [0,1,1,0,0,0|0,0,0]=2 662 B11R1.156 CC1=C(C(=O)O)C(Cl)=CC=N1 Q60700 [0,1,1,0,0,0|1,0,0]=3 663 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 Q52933 [0,1,1,0,0,0|1,0,0]=3 664 B11R1.156 CC1=C(C(=O)O)C(F)=CN=C1 Q60648 [0,1,1,0,0,0|1,0,0]=3 665 B11R1.156 CC1=C(C(=O)O)C(F)=NC=C1 N26390 [0,1,1,0,0,0|1,0,0]=3 666 B11R1.156 CC1=CN=CC(C)=C1C(=O)O Q60782 [0,1,1,0,0,0|1,0,0]=3 667 B11R1.156 CC1=CN=CC(N)=C1C(=O)O Q63314 [0,1,1,0,0,0|1,0,0]=3 668 B11R1.156 CC1=NC=CC(C)=C1C(=O)O G-7850 [0,1,1,0,0,0|1,0,0]=3 669 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 L14459 [0,1,1,0,0,0|2,0,0]=4 670 B11R1.156 NC1=CC=CC(I)=C1C(=O)O O32252 [0,1,1,0,0,0|1,0,0]=3 671 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Br Q67512 [0,1,1,0,0,0|2,0,0]=4 672 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br Q67183 [0,1,1,0,0,0|1,0,0]=3 673 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F C-3485 [0,1,1,0,0,0|1,0,0]=3 674 B11R1.156 O=C(O)C1=C(Br)C=CN=C1F O30907 [0,1,1,0,0,0|2,0,0]=4 675 B11R1.156 O=C(O)C1=C(Br)C=NC=C1Br Q66331 [0,1,1,0,0,0|2,0,0]=4 676 B11R1.156 O=C(O)C1=C(Br)C=NC=C1F N24768 [0,1,1,0,0,0|2,0,0]=4 677 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1O Q66580 [0,1,1,0,0,0|1,0,0]=3 678 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1O Q60761 [0,1,1,0,0,0|2,0,0]=4 679 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1Br N27720 [0,1,1,0,0,0|2,0,0]=4 680 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1Cl Q67313 [0,1,1,0,0,0|2,0,0]=4 681 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1F Q57224 [0,1,1,0,0,0|2,0,0]=4 682 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1Br Q67320 [0,1,1,0,0,0|2,0,0]=4 683 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1F O30790 [0,1,1,0,0,0|2,0,0]=4 684 B11R1.156 O=C(O)C1=C(Cl)N=CC=C1I P43249 [0,1,1,0,0,0|2,0,0]=4 685 B11R1.156 O=C(O)C1=C(F)C=CN=C1Br O29983 [0,1,1,0,0,0|2,0,0]=4 686 B11R1.156 O=C(O)C1=C(F)N=CC=C1I A-622 [0,1,1,0,0,0|2,0,0]=4 687 B11R1.156 O=C(O)C1=C(I)C=NC=C1Br N26737 [0,1,1,0,0,0|2,0,0]=4 688 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 M23816 [0,1,1,0,0,0|2,0,0]=4 689 B11R1.159 CC1=C(B(O)O)C=CC=C1F N24187 [0,1,1,0,0,0|1,0,1]=4 690 B11R1.159 CC1=C(B(O)O)C=CC=C1O N27745 [0,1,1,0,0,0|1,0,1]=4 691 B11R1.159 CC1=C(Br)C=CC=C1B(O)O Q67304 [0,1,1,0,0,0|1,0,1]=4 692 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O P49354 [0,1,1,0,0,0|1,0,0]=3 693 B11R1.159 CC1=C(C(=O)O)C=CN=C1F N26427 [0,1,1,0,0,0|1,0,0]=3 694 B11R1.159 CC1=C(C(=O)O)C=NC=C1Br N25194 [0,1,1,0,0,0|1,0,0]=3 695 B11R1.159 CC1=C(C(=O)O)C=NC=C1Cl Q60529 [0,1,1,0,0,0|1,0,0]=3 696 B11R1.159 CC1=C(C(=O)O)C=NC=C1F Q60749 [0,1,1,0,0,0|1,0,0]=3 697 B11R1.159 CC1=C(C(N)=O)C=CC=C1Br N24536 [0,1,1,0,0,0|1,0,0]=3 698 B11R1.159 CC1=C(C(N)=O)C=NC=C1Br N25587 [0,1,1,0,0,0|2,0,0]=4 699 B11R1.159 CC1=C(C)C(C(=O)O)=CC=N1 Q60787 [0,1,1,0,0,0|1,0,0]=3 700 B11R1.159 CC1=C(Cl)C=CC=C1B(O)O Q66298 [0,1,1,0,0,0|1,0,1]=4 701 B11R1.159 CC1=C(F)C(C(=O)O)=CC=C1 Q67898 [0,1,1,0,0,0|1,0,0]=3 702 B11R1.159 CC1=C(N)C(C(N)=O)=CC=C1 O30695 [0,1,1,0,0,0|2,0,0]=4 703 B11R1.159 CC1=NC=CC(C(=O)O)=C1N Q64766 [0,1,1,0,0,0|2,0,0]=4 704 B11R1.159 CC1=NC=NC(C(=O)O)=C1C Q60491 [0,1,1,0,0,0|2,0,0]=4 705 B11R1.159 CN1C=CC=C(C(=O)O)C1=O G-7544 [0,1,1,0,0,0|2,0,0]=4 706 B11R1.159 NC(=O)C1=CC=CC(N)=C1N G-7463 [0,1,1,0,0,0|2,0,0]=4 707 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O L14675 [0,1,1,0,0,0|2,0,0]=4 708 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl O31474 [0,1,1,0,0,0|2,0,0]=4 709 B11R1.159 NC1=C(F)C(C(=O)O)=CC=C1 P35150 [0,1,1,0,0,0|1,0,0]=3 710 B11R1.159 NC1=C(I)C=CC=C1C(=O)O O32276 [0,1,1,0,0,0|1,0,0]=3 711 B11R1.159 NC1=NC=CC(C(=O)O)=C1N Q58195 [0,1,1,0,0,0|2,0,0]=4 712 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 O29217 [0,1,1,0,0,0|2,0,0]=4 713 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CN=C1 N26393 [0,1,1,0,0,0|2,0,0]=4 714 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 Q66969 [0,1,1,0,0,0|2,0,0]=4 715 B11R1.159 O=C(O)C1=C(Cl)C(F)=CN=C1 N26255 [0,1,1,0,0,0|2,0,0]=4 716 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 Q66538 [0,1,1,0,0,0|2,0,0]=4 717 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 E-3012 [0,1,1,0,0,0|2,0,0]=4 718 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 N24320 [0,1,1,0,0,0|1,0,0]=3 719 B11R1.159 O=C(O)C1=CC=CC(Br)=C1O P51774 [0,1,1,0,0,0|1,0,0]=3 720 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O Q66616 [0,1,1,0,0,0|1,0,0]=3 721 B11R1.159 O=C(O)C1=CC=CC(I)=C1F Q67650 [0,1,1,0,0,0|1,0,0]=3 722 B11R1.159 O=C(O)C1=CC=NC(F)=C1F F-4045 [0,1,1,0,0,0|2,0,0]=4 723 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl S72554 [0,1,1,0,0,0|2,0,0]=4 724 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 O31353 [0,1,1,0,0,0|2,0,0]=4 725 B11R1.166 CC(=O)C1=CC=C(C)C=C1Br P42929 [0,1,1,0,0,0|2,0,0]=4 726 B11R1.166 CC(=O)C1=CC=C(N)C=C1Cl O32522 [0,1,1,0,0,0|2,0,0]=4 727 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C O31315 [0,1,1,0,0,0|2,0,0]=4 728 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C O29675 [0,1,1,0,0,0|2,0,0]=4 729 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Q57090 [0,1,1,0,0,0|1,0,0]=3 730 B11R1.166 CC1=CC(Br)=CC=C1B(O)O N25479 [0,1,1,0,0,0|1,0,1]=4 731 B11R1.166 CC1=CC(Br)=CN=C1C(=O)Cl N24228 [0,1,1,0,0,0|2,0,0]=4 732 B11R1.166 CC1=CC(Br)=CN=C1C(N)=O N25137 [0,1,1,0,0,0|2,0,0]=4 733 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O N26124 [0,1,1,0,0,0|1,0,0]=3 734 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O N25656 [0,1,1,0,0,0|1,0,0]=3 735 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 Q60789 [0,1,1,0,0,0|2,0,0]=4 736 B11R1.166 CC1=CC(F)=NC=C1C(=O)O Q67322 [0,1,1,0,0,0|1,0,0]=3 737 B11R1.166 CC1=CC(O)=CC=C1B(O)O Q66536 [0,1,1,0,0,0|1,0,1]=4 738 B11R1.166 CC1=CC(O)=CN=C1C(=O)O Q60879 [0,1,1,0,0,0|1,0,0]=3 739 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 L13612 [0,1,1,0,0,0|2,0,0]=4 740 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 O31836 [0,1,1,0,0,0|2,0,0]=4 741 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 O31096 [0,1,1,0,0,0|1,0,0]=3 742 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 I-9719 [0,1,1,0,0,0|2,0,0]=4 743 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O N26103 [0,1,1,0,0,0|1,0,0]=3 744 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 P51309 [0,1,1,0,0,0|1,0,0]=3 745 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 Q60943 [0,1,1,0,0,0|1,0,0]=3 746 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)O N25033 [0,1,1,0,0,0|1,0,0]=3 747 B11R1.166 CC1=NC(Cl)=NC=C1C(=O)O O30245 [0,1,1,0,0,0|2,0,0]=4 748 B11R1.166 CC1=NC(F)=C(C(=O)O)C=C1 N24616 [0,1,1,0,0,0|2,0,0]=4 749 B11R1.166 CC1=NC(F)=CC=C1C(=O)O Q67993 [0,1,1,0,0,0|1,0,0]=3 750 B11R1.166 CC1=NC(N)=NC=C1C(=O)O O30878 [0,1,1,0,0,0|2,0,0]=4 751 B11R1.166 CC1=NC(O)=CC=C1C(=O)O Q52564 [0,1,1,0,0,0|1,0,0]=3 752 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 O34423 [0,1,1,0,0,0|2,0,0]=4 753 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 M15159 [0,1,1,0,0,0|2,0,0]=4 754 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 N24181 [0,1,1,0,0,0|2,0,0]=4 755 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 F-4223 [0,1,1,0,0,0|2,0,0]=4 756 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl Q68006 [0,1,1,0,0,0|2,0,0]=4 757 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Br Q68008 [0,1,1,0,0,0|2,0,0]=4 758 B11R1.166 NC(=O)C1=CC=C(O)C=C1F O30471 [0,1,1,0,0,0|2,0,0]=4 759 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O C-2276 [0,1,1,0,0,0|2,0,0]=4 760 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6102 [0,1,1,0,0,0|2,0,0]=4 761 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6103 [0,1,1,0,0,0|2,0,0]=4 762 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O I-9422 [0,1,1,0,0,0|2,0,0]=4 763 B11R1.166 NC1=CC(F)=C(C(=O)O)N=C1 Q55031 [0,1,1,0,0,0|2,0,0]=4 764 B11R1.166 NC1=CC(F)=CN=C1C(=O)O O33092 [0,1,1,0,0,0|2,0,0]=4 765 B11R1.166 NC1=CC(F)=NC=C1C(=O)O G-7587 [0,1,1,0,0,0|2,0,0]=4 766 B11R1.166 NC1=CC(I)=CC=C1C(=O)O O32287 [0,1,1,0,0,0|1,0,0]=3 767 B11R1.166 NC1=CC=C(C(=O)O)C(Br)=N1 Q64646 [0,1,1,0,0,0|2,0,0]=4 768 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O C-2357 [0,1,1,0,0,0|2,0,0]=4 769 B11R1.166 NC1=NC(O)=CC=C1C(=O)O L19692 [0,1,1,0,0,0|2,0,0]=4 770 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 F-4417 [0,1,1,0,0,0|2,0,0]=4 771 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 Q60904 [0,1,1,0,0,0|2,0,0]=4 772 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 G-6764 [0,1,1,0,0,0|2,0,0]=4 773 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=N1 Q60786 [0,1,1,0,0,0|2,0,0]=4 774 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Br P37092 [0,1,1,0,0,0|1,0,0]=3 775 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br Q51864 [0,1,1,0,0,0|2,0,0]=4 776 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl N26004 [0,1,1,0,0,0|2,0,0]=4 777 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1F O30248 [0,1,1,0,0,0|2,0,0]=4 778 B11R1.166 O=C(O)C1=CC=C(F)C=C1O M22934 [0,1,1,0,0,0|1,0,0]=3 779 B11R1.166 O=C(O)C1=CC=C(I)C=C1F P43484 [0,1,1,0,0,0|1,0,0]=3 780 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl Q66502 [0,1,1,0,0,0|1,0,0]=3 781 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl O32638 [0,1,1,0,0,0|2,0,0]=4 782 B11R1.166 O=C(O)C1=CN=C(Br)C=C1I Q52323 [0,1,1,0,0,0|2,0,0]=4 783 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1I N27822 [0,1,1,0,0,0|2,0,0]=4 784 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl Q68112 [0,1,1,0,0,0|2,0,0]=4 785 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F G-7561 [0,1,1,0,0,0|2,0,0]=4 786 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br Q67790 [0,1,1,0,0,0|2,0,0]=4 787 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F O30677 [0,1,1,0,0,0|2,0,0]=4 788 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl O31562 [0,1,1,0,0,0|2,0,0]=4 789 B11R1.166 O=C(O)C1=NC=C(O)C=C1F O29407 [0,1,1,0,0,0|2,0,0]=4 790 B11R1.167 CC(=O)C1=CC(C)=CC=C1Br O29725 [0,1,1,0,0,0|2,0,0]=4 791 B11R1.167 CC(=O)C1=CC(Cl)=CC=C1F P37541 [0,1,1,0,0,0|2,0,0]=4 792 B11R1.167 CC(=O)C1=CC(O)=CC=C1C N26381 [0,1,1,0,0,0|1,0,0]=3 793 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 P43289 [0,1,1,0,0,0|1,0,0]=3 794 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 L18299 [0,1,1,0,0,0|1,0,0]=3 795 B11R1.167 CC1=C(C(=O)O)N=C(Cl)C=C1 P44204 [0,1,1,0,0,0|1,0,0]=3 796 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 Q60931 [0,1,1,0,0,0|1,0,0]=3 797 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 Q60684 [0,1,1,0,0,0|2,0,0]=4 798 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 Q60686 [0,1,1,0,0,0|2,0,0]=4 799 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 Q51924 [0,1,1,0,0,0|2,0,0]=4 800 B11R1.167 CC1=CC=C(Br)C=C1B(O)O N25858 [0,1,1,0,0,0|1,0,1]=4 801 B11R1.167 CC1=CC=C(F)C(C(=O)O)=N1 O30076 [0,1,1,0,0,0|2,0,0]=4 802 B11R1.167 CC1=CC=C(I)C=C1C(=O)O P43248 [0,1,1,0,0,0|0,0,0]=2 803 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 L22360 [0,1,1,0,0,0|2,0,0]=4 804 B11R1.167 CC1=CC=C(N)C=C1C(=O)O P43309 [0,1,1,0,0,0|0,0,0]=2 805 B11R1.167 CC1=CC=C(O)C=C1B(O)O N25272 [0,1,1,0,0,0|1,0,1]=4 806 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 N24563 [0,1,1,0,0,0|2,0,0]=4 807 B11R1.167 CC1=CN=C(Cl)N=C1C(=O)O Q53304 [0,1,1,0,0,0|2,0,0]=4 808 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 N25261 [0,1,1,0,0,0|2,0,0]=4 809 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 L18300 [0,1,1,0,0,0|2,0,0]=4 810 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 Q60885 [0,1,1,0,0,0|2,0,0]=4 811 B11R1.167 CC1=NC=C(N)C(C(=O)O)=C1 G-5635 [0,1,1,0,0,0|2,0,0]=4 812 B11R1.167 CC1=NC=C(N)C=C1C(=O)O Q58346 [0,1,1,0,0,0|1,0,0]=3 813 B11R1.167 NC(=O)C1=CC(F)=CC=C1Br P43107 [0,1,1,0,0,0|2,0,0]=4 814 B11R1.167 NC1=C(C(=O)O)C=C(Cl)N=C1 C-3440 [0,1,1,0,0,0|2,0,0]=4 815 B11R1.167 NC1=C(C(=O)O)C=C(F)N=C1 L22147 [0,1,1,0,0,0|2,0,0]=4 816 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 G-6804 [0,1,1,0,0,0|2,0,0]=4 817 B11R1.167 NC1=CC=C(Br)N=C1C(=O)O O34588 [0,1,1,0,0,0|2,0,0]=4 818 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O G-5404 [0,1,1,0,0,0|2,0,0]=4 819 B11R1.167 NC1=CC=C(Cl)N=C1C(=O)O O34386 [0,1,1,0,0,0|2,0,0]=4 820 B11R1.167 NC1=NC=C(F)C=C1C(=O)O L18306 [0,1,1,0,0,0|2,0,0]=4 821 B11R1.167 O=C(Cl)C1=CC(Br)=CC=C1F Q67078 [0,1,1,0,0,0|2,0,0]=4 822 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 Q66324 [0,1,1,0,0,0|2,0,0]=4 823 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 Q67587 [0,1,1,0,0,0|2,0,0]=4 824 B11R1.167 O=C(O)C1=C(F)C=NC(Cl)=C1 Q67957 [0,1,1,0,0,0|2,0,0]=4 825 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl C-3392 [0,1,1,0,0,0|2,0,0]=4 826 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O C-3696 [0,1,1,0,0,0|2,0,0]=4 827 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Br Q67187 [0,1,1,0,0,0|2,0,0]=4 828 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl L22357 [0,1,1,0,0,0|2,0,0]=4 829 B11R1.167 O=C(O)C1=CC(Br)=NC=C1F K12095 [0,1,1,0,0,0|2,0,0]=4 830 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F E-3037 [0,1,1,0,0,0|2,0,0]=4 831 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl E-3057 [0,1,1,0,0,0|2,0,0]=4 832 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br O31572 [0,1,1,0,0,0|2,0,0]=4 833 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl C-3699 [0,1,1,0,0,0|2,0,0]=4 834 B11R1.167 O=C(O)C1=CC(F)=CN=C1F Q62473 [0,1,1,0,0,0|2,0,0]=4 835 B11R1.167 O=C(O)C1=CC(F)=NC=C1Br N26408 [0,1,1,0,0,0|2,0,0]=4 836 B11R1.167 O=C(O)C1=CC(F)=NC=C1F H-8387 [0,1,1,0,0,0|2,0,0]=4 837 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br G-7754 [0,1,1,0,0,0|2,0,0]=4 838 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1F P44595 [0,1,1,0,0,0|2,0,0]=4 839 B11R1.167 O=C(O)C1=NC(O)=CC=C1Cl Q60687 [0,1,1,0,0,0|2,0,0]=4 840 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 L14886 [1,1,0,0,0,0|2,0,0]=4 841 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 I-9534 [1,1,0,0,0,0|2,0,0]=4 842 B11R2.10 ClC1=CC2=CC=CC=C2N1 D-2538 [1,1,0,0,0,0|2,0,0]=4 843 B11R2.10 NC1=CC2=C(C=CC=C2)N1 O29924 [1,1,0,0,0,0|2,0,0]=4 844 B11R2.36 BrC1=CC2=C(C=C1)CCN2 M15579 [1,1,0,0,0,0|2,0,0]=4 845 B11R2.36 BrC1=CC2=C(C=C1)CNC2 O32275 [1,1,0,0,0,0|1,0,1]=4 846 B11R2.36 BrC1=CC2=CSN=C2C=C1 O30630 [1,1,0,0,0,0|1,1,0]=4 847 B11R2.36 BrC1=CC2=NSC=C2C=C1 O30952 [1,1,0,0,0,0|1,1,0]=4 848 B11R2.36 BrC1=CC=C2C=CCC2=C1 10753 [1,1,0,0,0,0|1,0,0]=3 849 B11R2.36 BrC1=CC=C2C=COC2=C1 G-5721 [1,1,0,0,0,0|2,0,0]=4 850 B11R2.36 BrC1=CC=C2C=CSC2=C1 G-7750 [1,1,0,0,0,0|2,0,0]=4 851 B11R2.36 BrC1=CC=C2C=NNC2=C1 C-2007 [1,1,0,0,0,0|2,0,0]=4 852 B11R2.36 BrC1=CC=C2CNCC2=C1 C-3625 [1,1,0,0,0,0|1,0,1]=4 853 B11R2.36 BrC1=CC=C2NN=CC2=C1 C-2005 [1,1,0,0,0,0|2,0,0]=4 854 B11R2.36 BrC1=CC=C2ON=CC2=C1 L14106 [1,1,0,0,0,0|2,0,0]=4 855 B11R2.36 CC1=CC2=C(C=C1)C=NN2 L13557 [1,1,0,0,0,0|2,0,0]=4 856 B11R2.36 CC1=CC2=C(C=C1)NCC2 O32270 [1,1,0,0,0,0|2,0,0]=4 857 B11R2.36 CC1=CC2=C(C=C1)NN=C2 O34411 [1,1,0,0,0,0|2,0,0]=4 858 B11R2.36 CC1=CC2=C(C=CN2)C=C1 P43296 [1,1,0,0,0,0|2,0,0]=4 859 B11R2.36 CC1=CC=C2OC=CC2=C1 P40313 [1,1,0,0,0,0|2,0,0]=4 860 B11R2.36 ClC1=CC2=C(C=C1)C=NN2 C-2037 [1,1,0,0,0,0|2,0,0]=4 861 B11R2.36 ClC1=CC2=C(C=C1)CCN2 M15570 [1,1,0,0,0,0|2,0,0]=4 862 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 I-9317 [1,1,0,0,0,0|2,0,0]=4 863 B11R2.36 ClC1=CC=C2NN=CC2=C1 C-2056 [1,1,0,0,0,0|2,0,0]=4 864 B11R2.36 ClC1=CC=C2OCCC2=C1 M15833 [1,1,0,0,0,0|2,0,0]=4 865 B11R2.36 FC1=CC2=C(C=C1)CCN2 D-2527 [1,1,0,0,0,0|2,0,0]=4 866 B11R2.36 FC1=CC2=C(C=C1)CNC2 L13810 [1,1,0,0,0,0|1,0,1]=4 867 B11R2.36 FC1=CC2=C(C=CN2)C=C1 C-3360 [1,1,0,0,0,0|2,0,0]=4 868 B11R2.36 FC1=CC=C2C=NNC2=C1 C-2106 [1,1,0,0,0,0|2,0,0]=4 869 B11R2.36 FC1=CC=C2NN=CC2=C1 C-2101 [1,1,0,0,0,0|2,0,0]=4 870 B11R2.36 FC1=CC=C2OC=CC2=C1 P39420 [1,1,0,0,0,0|2,0,0]=4 871 B11R2.36 FC1=CC=C2OCCC2=C1 Q65592 [1,1,0,0,0,0|2,0,0]=4 872 B11R2.36 FC1=CC=C2SC=CC2=C1 P51244 [1,1,0,0,0,0|2,0,0]=4 873 B11R2.36 IC1=CC2=C(C=C1)CCN2 O31769 [1,1,0,0,0,0|2,0,0]=4 874 B11R2.36 IC1=CC2=C(C=C1)CNC2 H-8930 [1,1,0,0,0,0|1,0,1]=4 875 B11R2.36 IC1=CC2=C(C=C1)CNC2 M15878 [1,1,0,0,0,0|1,0,1]=4 876 B11R2.36 IC1=CC2=C(C=C1)NC=C2 Q55309 [1,1,0,0,0,0|2,0,0]=4 877 B11R2.36 IC1=CC=C2C=CNC2=C1 L14002 [1,1,0,0,0,0|2,0,0]=4 878 B11R2.36 IC1=CC=C2C=NNC2=C1 C-2108 [1,1,0,0,0,0|2,0,0]=4 879 B11R2.36 IC1=CC=C2NN=CC2=C1 C-2103 [1,1,0,0,0,0|2,0,0]=4 880 B11R2.36 NC1=CC2=C(C=C1)C=NN2 C-2138 [1,1,0,0,0,0|2,0,0]=4 881 B11R2.36 NC1=CC2=C(C=C1)CCN2 P40883 [1,1,0,0,0,0|2,0,0]=4 882 B11R2.36 NC1=CC2=C(C=C1)NN=C2 C-2139 [1,1,0,0,0,0|2,0,0]=4 883 B11R2.36 NC1=CC2=C(C=CN2)C=C1 Q55305 [1,1,0,0,0,0|2,0,0]=4 884 B11R2.36 NC1=CC=C2OC=CC2=C1 O30424 [1,1,0,0,0,0|2,0,0]=4 885 B11R2.36 NC1=CC=C2OCCC2=C1 M15806 [1,1,0,0,0,0|2,0,0]=4 886 B11R2.36 NC1=CC=C2SC=CC2=C1 O31837 [1,1,0,0,0,0|2,0,0]=4 887 B11R2.36 OC1=CC2=C(C=C1)CNC2 Q57110 [1,1,0,0,0,0|1,0,1]=4 888 B11R2.36 OC1=CC2=C(C=C1)NC=C2 P46527 [1,1,0,0,0,0|2,0,0]=4 889 B11R2.36 OC1=CC2=C(C=C1)NCC2 O32235 [1,1,0,0,0,0|2,0,0]=4 890 B11R2.36 OC1=CC2=C(C=C1)OC=C2 L21551 [1,1,0,0,0,0|2,0,0]=4 891 B11R2.36 OC1=CC2=C(C=C1)OCC2 N25202 [1,1,0,0,0,0|2,0,0]=4 892 B11R2.36 OC1=CC=C2C=NNC2=C1 C-2424 [1,1,0,0,0,0|2,0,0]=4 893 B11R2.106 BrC1=C2C=CNC2=CC=C1 C-3748 [1,1,0,0,0,0|2,0,0]=4 894 B11R2.106 BrC1=C2C=COC2=CC=C1 G-7784 [1,1,0,0,0,0|2,0,0]=4 895 B11R2.106 BrC1=C2C=CSC2=CC=C1 I-9865 [1,1,0,0,0,0|2,0,0]=4 896 B11R2.106 BrC1=C2C=NNC2=CC=C1 C-2006 [1,1,0,0,0,0|2,0,0]=4 897 B11R2.106 BrC1=C2CNCC2=CC=C1 L18234 [1,1,0,0,0,0|1,0,1]=4 898 B11R2.106 BrC1=C2NN=CC2=CC=C1 C-2070 [1,1,0,0,0,0|2,0,0]=4 899 B11R2.106 BrC1=C2OC=CC2=CC=C1 O31177 [1,1,0,0,0,0|2,0,0]=4 900 B11R2.106 BrC1=C2OCCC2=CC=C1 M15789 [1,1,0,0,0,0|2,0,0]=4 901 B11R2.106 BrC1=CC=CC2=C1CCC2 G-5799 [1,1,0,0,0,0|1,0,1]=4 902 B11R2.106 BrC1=CC=CC2=C1CCN2 O30708 [1,1,0,0,0,0|2,0,0]=4 903 B11R2.106 BrC1=CC=CC2=C1CCN2 O34479 [1,1,0,0,0,0|2,0,0]=4 904 B11R2.106 BrC1=CC=CC2=C1CNC2 P51178 [1,1,0,0,0,0|1,0,1]=4 905 B11R2.106 BrC1=CC=CC2=C1NCC2 O30394 [1,1,0,0,0,0|2,0,0]=4 906 B11R2.106 BrC1=CC=CC2=C1ON=C2 G-5045 [1,1,0,0,0,0|2,0,0]=4 907 B11R2.106 CC1=CC=CC2=C1C=CN2 G-7009 [1,1,0,0,0,0|2,0,0]=4 908 B11R2.106 CC1=CC=CC2=C1C=NN2 O34435 [1,1,0,0,0,0|2,0,0]=4 909 B11R2.106 CC1=CC=CC2=C1CNC2 O31189 [1,1,0,0,0,0|1,0,1]=4 910 B11R2.106 CC1=CC=CC2=C1NC=C2 I-9272 [1,1,0,0,0,0|2,0,0]=4 911 B11R2.106 CC1=CC=CC2=C1NN=C2 O34439 [1,1,0,0,0,0|2,0,0]=4 912 B11R2.106 ClC1=C2C=NNC2=CC=C1 C-2057 [1,1,0,0,0,0|2,0,0]=4 913 B11R2.106 ClC1=C2CCNC2=CC=C1 H-8553 [1,1,0,0,0,0|2,0,0]=4 914 B11R2.106 ClC1=C2NN=CC2=CC=C1 C-2058 [1,1,0,0,0,0|2,0,0]=4 915 B11R2.106 ClC1=CC=CC2=C1CNC2 O32221 [1,1,0,0,0,0|1,0,1]=4 916 B11R2.106 ClC1=CC=CC2=C1NC=C2 Q55310 [1,1,0,0,0,0|2,0,0]=4 917 B11R2.106 FC1=C2NC=CC2=CC=C1 C-3602 [1,1,0,0,0,0|2,0,0]=4 918 B11R2.106 FC1=C2OC=CC2=CC=C1 P39419 [1,1,0,0,0,0|2,0,0]=4 919 B11R2.106 FC1=C2SC=CC2=CC=C1 P38656 [1,1,0,0,0,0|2,0,0]=4 920 B11R2.106 FC1=CC=CC2=C1C=CN2 C-3359 [1,1,0,0,0,0|2,0,0]=4 921 B11R2.106 FC1=CC=CC2=C1C=CO2 N26468 [1,1,0,0,0,0|2,0,0]=4 922 B11R2.106 FC1=CC=CC2=C1C=NN2 G-6585 [1,1,0,0,0,0|2,0,0]=4 923 B11R2.106 FC1=CC=CC2=C1CCN2 O30386 [1,1,0,0,0,0|2,0,0]=4 924 B11R2.106 FC1=CC=CC2=C1CCN2 P43501 [1,1,0,0,0,0|2,0,0]=4 925 B11R2.106 FC1=CC=CC2=C1NN=C2 Q55643 [1,1,0,0,0,0|2,0,0]=4 926 B11R2.106 IC1=C2C=NNC2=CC=C1 C-2033 [1,1,0,0,0,0|2,0,0]=4 927 B11R2.106 IC1=C2NN=CC2=CC=C1 10155 [1,1,0,0,0,0|2,0,0]=4 928 B11R2.106 IC1=CC=CC2=C1C=CN2 O34024 [1,1,0,0,0,0|2,0,0]=4 929 B11R2.106 IC1=CC=CC2=C1CCN2 O30821 [1,1,0,0,0,0|2,0,0]=4 930 B11R2.106 NC1=C2C=NNC2=CC=C1 C-2047 [1,1,0,0,0,0|2,0,0]=4 931 B11R2.106 NC1=C2CCOC2=CC=C1 M15821 [1,1,0,0,0,0|2,0,0]=4 932 B11R2.106 NC1=C2COCC2=CC=C1 S72502 [1,1,0,0,0,0|0,0,1]=3 933 B11R2.106 NC1=C2OCCC2=CC=C1 M15777 [1,1,0,0,0,0|2,0,0]=4 934 B11R2.106 NC1=CC=CC2=C1NC=C2 O31787 [1,1,0,0,0,0|2,0,0]=4 935 B11R2.106 NC1=CC=CC2=C1NN=C2 C-2137 [1,1,0,0,0,0|2,0,0]=4 936 B11R2.106 NC1=CC=CC2=CSN=C12 O29671 [1,1,0,0,0,0|1,1,0]=4 937 B11R2.106 NC1=CC=CC2=NSC=C12 O29336 [1,1,0,0,0,0|1,1,0]=4 938 B11R2.106 OC1=C2CCOC2=CC=C1 M15862 [1,1,0,0,0,0|2,0,0]=4 939 B11R2.106 OC1=C2OC=CC2=CC=C1 P37918 [1,1,0,0,0,0|2,0,0]=4 940 B11R2.106 OC1=CC=CC2=C1C=NN2 G-5561 [1,1,0,0,0,0|2,0,0]=4 941 B11R2.106 OC1=CC=CC2=C1NC=C2 O30805 [1,1,0,0,0,0|2,0,0]=4 942 B11R2.106 OC1=CC=CC2=C1NN=C2 O30543 [1,1,0,0,0,0|2,0,0]=4 943 B11R2.60 CN1C=CC2=C1CCC2=O O33176 [0,1,0,0,1,0|2,0,0]=4 944 B13R2.32 CN1C(=O)NCC2=C1C=CC=C2 H-8618 [0,1,0,0,0,1|1,0,0]=3 945 B13R2.57 O=CC1=CC2=C(C=CC=C2)C=N1 O33529 [0,1,0,0,0,1|1,0,1]=4 946 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 Q67518 [0,1,0,0,0,1|2,0,0]=4 947 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 O31771 [0,1,0,0,0,1|2,0,0]=4 948 B13R2.57 OCC1CC2=CC=CC=C2CO1 L20438 [0,1,0,0,0,1|0,0,2]=4 949 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 P35289 [0,1,0,0,0,1|2,0,0]=4 950 B13R2.155 O=C1C=CC2=C(C=C(Br)C=C2)N1 O30309 [0,1,0,0,0,1|1,0,1]=4 951 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 I-9876 [0,1,0,0,0,1|1,0,1]=4 952 B13R2.155 O=C1C=CC2=CC=C(F)C=C2N1 L18395 [0,1,0,0,0,1|1,0,1]=4 953 B13R2.155 O=C1C=NC2=CC=C(Br)C=C2N1 F-4065 [0,1,0,0,0,1|2,0,0]=4 954 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 Q70043 [0,1,0,0,0,1|1,0,0]=3 955 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 M15801 [0,1,0,0,0,1|1,0,0]=3 956 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 M22763 [0,1,0,0,0,1|1,0,0]=3 957 B13R2.162 O=C1CCC2=C(C1)C(O)=CC=C2 M15815 [0,1,0,0,0,1|1,0,0]=3 958 B13R2.162 O=C1CCC2=CC=NC(Cl)=C2N1 O29346 [0,1,0,0,0,1|2,0,0]=4 959 B13R2.162 O=C1COC2=CC=CC(Cl)=C2N1 K12403 [0,1,0,0,0,1|2,0,0]=4 960 B13R2.222 O=S1(=O)CC2=CC=CC=C2CN1 Q69419 [0,1,0,0,0,1|2,0,0]=4 961 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 O34589 [0,1,0,0,0,1|1,0,1]=4 962 B13R2.369 CC1=CC2=CC=CC=C2NC1=O H-8558 [0,1,0,0,0,1|1,0,1]=4 963 B13R2.369 CC1NC2=CC=CC=C2NC1=O C-2873 [0,1,0,0,0,1|2,0,0]=4 964 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O O31934 [0,1,0,0,0,1|1,0,1]=4 965 B13R2.369 O=C1NC2=CC=CC=C2C=C1Br N25822 [0,1,0,0,0,1|1,0,1]=4 966 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 L22415 [0,1,0,0,0,1|1,0,1]=4 967 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 P39589 [0,1,0,0,0,1|1,0,0]=3 968 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 P39254 [0,1,0,0,0,1|2,0,0]=4 969 B13R2.3683 O=C1C=NC2=CC(Br)=CC=C2N1 D-2701 [0,1,0,0,0,1|2,0,0]=4 970 B13R2.3683 O=C1CCC2=CC(Br)=CN=C2N1 P44583 [0,1,0,0,0,1|2,0,0]=4 971 B13R2.3683 O=C1COC2=CC(Br)=CC=C2N1 O34505 [0,1,0,0,0,1|2,0,0]=4 972 B13R2.3683 O=C1N=CC2=C(C=CC(Br)=C2)N1 G-7695 [0,1,0,0,0,1|1,0,1]=4 973 B13R2.3683 O=C1NC2=CC=C(Br)C=C2CO1 G-7693 [0,1,0,0,0,1|0,0,0]=2 974 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 O30405 [0,1,0,0,0,1|2,0,0]=4 975 B13R2.5179 O=C1C=CC2=C(C=CC=C2Br)N1 O30380 [0,1,0,0,0,1|1,0,1]=4 976 B13R2.5179 O=C1CC2=C(CN1)C(Br)=CC=C2 Q70044 [0,1,0,0,0,1|1,0,0]=3 977 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 O30080 [0,1,0,0,0,1|1,0,0]=3 978 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 O30284 [0,1,0,0,0,1|1,0,0]=3 979 B13R2.5179 O=C1CCC2=C(N=CC=C2F)N1 L14994 [0,1,0,0,0,1|2,0,0]=4 980 B13R2.342 NC1=CC=CC2=C1CCOC2=O H-8728 [0,1,0,0,0,1|0,0,0]=2 981 B13R2.342 O=C1CCCC2=C1C=CC=C2Br O31935 [0,1,0,0,0,1|1,0,0]=3 982 B13R2.342 O=C1CCCC2=C1C=CC=C2O O34179 [0,1,0,0,0,1|1,0,0]=3 983 B13R2.342 O=C1NC=CC2=C1C=CC=C2Br M15786 [0,1,0,0,0,1|1,0,1]=4 984 B13R2.342 O=C1NC=NC2=C1C=CC=C2Br M15591 [0,1,0,0,0,1|1,0,1]=4 985 B13R2.342 O=C1NCCC2=C1C=CC=C2O M15574 [0,1,0,0,0,1|1,0,0]=3 986 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 O29322 [0,1,0,0,0,1|1,0,0]=3 987 B13R2.371 O=C1NC=C(Br)C2=CC=CC=C12 K10898 [0,1,0,0,0,1|1,0,1]=4 988 B13R2.371 O=C1NC=C(Cl)C2=C1C=CC=C2 O34319 [0,1,0,0,0,1|1,0,1]=4 989 B13R2.1613 O=CC1=CN=CC2=C1C=CC=C2 O31961 [0,1,0,0,0,1|1,0,1]=4 990 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 N25167 [0,1,0,0,0,1|1,0,1]=4 991 B13R2.4818 O=C1NC=CC2=C1C(Br)=CC=C2 M15809 [0,1,0,0,0,1|1,0,1]=4 992 B13R2.4818 O=C1NC=CC2=C1C(F)=CC=C2 M15808 [0,1,0,0,0,1|1,0,1]=4 993 B13R2.4818 O=C1NC=NC2=C1C(I)=CC=C2 O32225 [0,1,0,0,0,1|1,0,1]=4 994 B13R2.9 CC1=CC=CC2=C1NC=C2C=O P37932 [0,2,0,0,0,0|2,0,0]=4 995 B13R2.9 O=CC1=NNC2=C1C=CC=C2Cl Q60467 [0,2,0,0,0,0|2,0,0]=4 996 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 10153 [0,2,0,0,0,0|2,0,0]=4 997 B13R2.72 NC(=O)C1=NNC2=C1C=CC=C2 O34418 [0,2,0,0,0,0|2,0,0]=4 998 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 Q60936 [0,2,0,0,0,0|1,0,1]=4 999 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 O30560 [0,2,0,0,0,0|2,0,0]=4 1000 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 C-2074 [0,2,0,0,0,0|2,0,0]=4 1001 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 P41249 [0,2,0,0,0,0|1,0,1]=4 1002 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 M22700 [0,2,0,0,0,0|1,0,1]=4 1003 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 P51546 [0,2,0,0,0,0|1,0,1]=4 1004 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 P51529 [0,2,0,0,0,0|1,0,1]=4 1005 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 O34538 [0,2,0,0,0,0|1,0,1]=4 1006 B13R2.662 CC1=CC2=C(C=C1)C(C=O)=CN2 P37933 [0,2,0,0,0,0|2,0,0]=4 1007 B13R2.662 NC1=CC=C2C(C=O)=CNC2=C1 Q60090 [0,2,0,0,0,0|2,0,0]=4 1008 B13R2.662 O=CC1=CNC2=C1C=CC(Cl)=C2 O32322 [0,2,0,0,0,0|2,0,0]=4 1009 B13R2.662 O=CC1=CNC2=C1C=CC(O)=C2 Q53158 [0,2,0,0,0,0|2,0,0]=4 1010 B13R2.662 O=CC1=CNC2=CC(Br)=CC=C12 P47177 [0,2,0,0,0,0|2,0,0]=4 1011 B13R2.662 O=CC1=CNC2=CC(I)=CC=C12 Q60091 [0,2,0,0,0,0|2,0,0]=4 1012 B13R2.662 O=CC1=NNC2=C1C=CC(F)=C2 Q60339 [0,2,0,0,0,0|2,0,0]=4 1013 B13R2.662 O=CC1=NNC2=CC(Br)=CC=C21 H-8881 [0,2,0,0,0,0|2,0,0]=4 1014 B13R2.2091 CC1=C2C(=CC=C1)NN=C2C=O Q60243 [0,2,0,0,0,0|2,0,0]=4 1015 B13R2.2091 O=CC1=CNC2=C1C(Br)=CC=C2 S70880 [0,2,0,0,0,0|2,0,0]=4 1016 B13R2.2091 O=CC1=CNC2=C1C(Cl)=CC=C2 P35551 [0,2,0,0,0,0|2,0,0]=4 1017 B13R2.2091 O=CC1=CNC2=C1C(F)=CC=C2 O32777 [0,2,0,0,0,0|2,0,0]=4 1018 B13R2.2091 O=CC1=CNC2=CC=CC(I)=C12 Q60096 [0,2,0,0,0,0|2,0,0]=4 1019 B13R2.2091 O=CC1=NNC2=CC=CC(Br)=C21 Q53188 [0,2,0,0,0,0|2,0,0]=4 1020 B13R2.2091 O=CC1=NNC2=CC=CC(Cl)=C21 Q60423 [0,2,0,0,0,0|2,0,0]=4 1021 B13R2.2091 O=CC1=NNC2=CC=CC(F)=C21 Q60440 [0,2,0,0,0,0|2,0,0]=4 1022 B13R2.2136 C(=O)C1=CNC2=C1C=C(Cl)C=C2 P45134 [0,2,0,0,0,0|2,0,0]=4 1023 B13R2.2136 O=CC1=CNC2=C1C=C(Br)C=C2 O32323 [0,2,0,0,0,0|2,0,0]=4 1024 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 P51330 [0,2,0,0,0,0|2,0,0]=4 1025 B13R2.2136 O=CC1=CNC2=CC=C(I)C=C12 Q60094 [0,2,0,0,0,0|2,0,0]=4 1026 B13R2.2136 O=CC1=NNC2=C1C=C(F)C=C2 Q60293 [0,2,0,0,0,0|2,0,0]=4 1027 B13R2.2931 CN1N=C(C=O)C2=C1C=CC=C2 G-6812 [0,2,0,0,0,0|2,0,0]=4 1028 B13R2.2931 CO[IH2]1OC(=O)C2=CC=CC=C21 M23805 [0,2,0,0,0,0|1,0,0]=3 1029 B13R2.3028 CN1CC2=C(C=C(Br)C=C2)C1=O M15860 [0,2,0,0,0,0|1,0,0]=3 1030 B13R2.3028 CN1CC2=C(C=C(N)C=C2)C1=O C-3374 [0,2,0,0,0,0|1,0,0]=3 1031 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O Q57204 [0,2,0,0,0,0|2,0,0]=4 1032 B13R2.4825 CN1CC2=C(C=CC=C2Br)C1=O M15871 [0,2,0,0,0,0|1,0,0]=3 1033 B13R2.4825 CN1CC2=C(C=CC=C2N)C1=O I-9395 [0,2,0,0,0,0|1,0,0]=3 1034 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O O32269 [0,2,0,0,0,0|2,0,0]=4 1035 B13R2.4856 CN1CC2=C(C1=O)C(N)=CC=C2 L14293 [0,2,0,0,0,0|1,0,0]=3 1036 B13R2.4856 O=C1NC2=C(C1=O)C(F)=CC=C2 O30726 [0,2,0,0,0,0|2,0,0]=4 1037 B13R2.5190 CN1CC2=C(C=CC(N)=C2)C1=O C-3380 [0,2,0,0,0,0|1,0,0]=3 1038 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O P38822 [0,2,0,0,0,0|2,0,0]=4 1039 B13R2.5190 O=C1NC2=C(C=CC(I)=C2)C1=O O32233 [0,2,0,0,0,0|2,0,0]=4 1040 B13R2.669 CCC1=CC2=C(C=C1)CCC2=O P38134 [0,2,0,0,0,0|1,0,0]=3 1041 B13R2.669 N#CC1=CC2=C(C=C1)CCC2=O O30595 [0,2,0,0,0,0|1,0,0]=3 1042 B13R2.669 O=CC1=CC2=C(C=C1)CNC2=O P51287 [0,2,0,0,0,0|1,0,0]=3 1043 B13R2.3742 O=C1CCC2=C1C=C(Cl)C=C2Cl P37641 [0,2,0,0,0,0|1,0,0]=3 1044 B13R2.5187 O=C1NC(=O)C2=C1C=CC(F)=C2 S72716 [0,2,0,0,0,0|1,0,1]=4 1045 B13R2.5187 O=C1NC(=O)C2=CC(Br)=CC=C12 G-5547 [0,2,0,0,0,0|1,0,1]=4 1046 B13R2.5187 O=C1OC(=O)C2=NC=C(Br)C=C12 G-6660 [0,2,0,0,0,0|1,0,1]=4 1047 B13R2.11634 O=C1CCC2=C1C=C(Br)C(F)=C2 P51040 [0,2,0,0,0,0|1,0,0]=3 1048 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(Cl)=C2 M22704 [0,2,0,0,0,0|1,0,0]=3 1049 B13R2.11634 O=C1CCC2=C1C=C(F)C(F)=C2 O31793 [0,2,0,0,0,0|1,0,0]=3 1050 B13R2.573 COC1=CC=CC2=C1CCC2=O O34518 [0,2,0,0,0,0|1,0,0]=3 1051 B13R2.573 COC1=CC=CC2=C1CNC2=O A-704 [0,2,0,0,0,0|1,0,0]=3 1052 B13R2.573 COC1=CC=CC2=C1COC2=O P37916 [0,2,0,0,0,0|0,0,0]=2 1053 B13R2.573 N#CC1=C2CCC(=O)C2=CC=C1 A-517 [0,2,0,0,0,0|1,0,0]=3 1054 B13R2.4857 NC1=CC=CC2=C1C(=O)OC2=O O34033 [0,2,0,0,0,0|0,0,1]=3 1055 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O L14031 [0,2,0,0,0,0|0,0,1]=3 1056 B13R2.5151 CC1=C2B(O)OCC2=C(Cl)C=C1 Q68750 [0,2,0,0,0,0|1,0,1]=4 1057 B13R2.5151 NC1=CC=C(Cl)C2=C1C(=O)NC2 Q69675 [0,2,0,0,0,0|1,0,0]=3 1058 B13R2.5151 O=C1CCC2=C1C(F)=CC=C2Br P43545 [0,2,0,0,0,0|1,0,0]=3 1059 B13R2.5151 O=C1CCC2=C1C(F)=CC=C2F P41755 [0,2,0,0,0,0|1,0,0]=3 1060 B13R2.5151 O=C1NCC2=C1C(Cl)=CC=C2Br K12359 [0,2,0,0,0,0|1,0,0]=3 1061 B13R2.5180 CC1=C(Br)C=CC2=C1COC2=O Q57154 [0,2,0,0,0,0|0,0,0]=2 1062 B13R2.5180 CC1=C(Cl)C2=C(C=C1)B(O)OC2 N27792 [0,2,0,0,0,0|1,0,1]=4 1063 B13R2.5180 OB1OCC2=C1C=CC(Cl)=C2F N27646 [0,2,0,0,0,0|1,0,1]=4 1064 B13R2.582 COC1=C2B(O)OCC2=CC=C1 S72696 [0,2,0,0,0,0|1,0,1]=4 1065 B13R2.582 N#CC1=CC=CC2=C1C(=O)CC2 O31038 [0,2,0,0,0,0|1,0,0]=3 1066 B13R2.11642 CC1=CC(C)=C2C(=O)COC2=C1 M22891 [0,2,0,0,0,0|2,0,0]=4 1067 B13R2.11642 CC1=CC(O)=C2C(=O)COC2=C1 L18769 [0,2,0,0,0,0|2,0,0]=4 1068 B13R2.11642 O=C1NCC2=C1C(F)=CC(Br)=C2 S72582 [0,2,0,0,0,0|1,0,0]=3 1069 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NC2 P51419 [0,2,0,0,0,0|1,0,0]=3 1070 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)CC2 O30489 [0,2,0,0,0,0|1,0,0]=3 1071 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)NC2 P51183 [0,2,0,0,0,0|1,0,0]=3 1072 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 P51290 [0,2,0,0,0,0|1,0,0]=3 1073 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 G-7596 [0,2,0,0,0,0|1,0,0]=3 1074 B13R2.12159 CC1(C)O[IH2](Cl)C2=CC=CC=C21 O32483 [0,2,0,0,0,0|2,0,0]=4 1075 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 H-8330 [0,2,0,0,0,0|1,0,0]=3 1076 B9R1.11 COC(=O)C1=CC=CN1 G-7797 [0,0,1,0,1,0|1,0,0]=3 1077 B9R1.11 COC(=O)C1=CN=CO1 O30359 [0,0,1,0,1,0|2,0,0]=4 1078 B9R1.11 COC(=O)C1=CN=CS1 P48087 [0,0,1,0,1,0|2,0,0]=4 1079 B9R1.11 COC(=O)C1=CNN=C1 G-7338 [0,0,1,0,1,0|2,0,0]=4 1080 B9R1.11 COC(=O)C1=NC=CN1 G-6057 [0,0,1,0,1,0|2,0,0]=4 1081 B9R1.11 COC(=O)C1=NC=CS1 P37422 [0,0,1,0,1,0|2,0,0]=4 1082 B9R1.11 COC(=O)C1=NNC=C1 P40994 [0,0,1,0,1,0|2,0,0]=4 1083 B9R1.41 CC1=C(C(=O)O)N=CO1 O31842 [0,0,1,0,1,0|2,0,0]=4 1084 B9R1.41 CC1=C(C(=O)O)N=CS1 10657 [0,0,1,0,1,0|2,0,0]=4 1085 B9R1.41 CC1=C(C(=O)O)NC=N1 L20560 [0,0,1,0,1,0|2,0,0]=4 1086 B9R1.41 CC1=CSC=C1C(=O)O L22411 [0,0,1,0,1,0|1,0,0]=3 1087 B9R1.41 CN1C=NC=C1C(=O)O G-7569 [0,0,1,0,1,0|2,0,0]=4 1088 B9R1.41 CN1N=CC=C1C(=O)O G-5544 [0,0,1,0,1,0|2,0,0]=4 1089 B9R1.41 NC1=C(C(=O)O)C=CS1 P44611 [0,0,1,0,1,0|2,0,0]=4 1090 B9R1.41 O=C(O)C1=C(Br)C=CS1 G-6768 [0,0,1,0,1,0|2,0,0]=4 1091 B9R1.41 O=C(O)C1=C(Cl)C=CN1 H-8302 [0,0,1,0,1,0|2,0,0]=4 1092 B9R1.41 O=C(O)C1=CSC=C1Br G-7938 [0,0,1,0,1,0|2,0,0]=4 1093 B11R1.86 CC(=O)OC1=CC=CC=C1Br P40333 [0,0,1,0,0,1|2,0,0]=4 1094 B11R1.86 CC1=C(CC(=O)O)C=CC=N1 H-8205 [0,0,1,0,0,1|1,0,0]=3 1095 B11R1.86 CC1=CC=NC=C1CC(=O)O Q60617 [0,0,1,0,0,1|1,0,0]=3 1096 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,0,1,0,0,1|1,0,0]=3 1097 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 Q60647 [0,0,1,0,0,1|2,0,0]=4 1098 B11R1.86 O=C(O)CC1=CC=CN=C1Cl G-5570 [0,0,1,0,0,1|2,0,0]=4 1099 B11R1.86 O=C(O)CC1=CC=NC=C1Cl Q60592 [0,0,1,0,0,1|2,0,0]=4 1100 B11R1.86 O=C(O)CC1=NC=CC=C1Br I-9578 [0,0,1,0,0,1|2,0,0]=4 1101 B11R1.86 O=C(O)CC1=NC=CC=C1O F-4648 [0,0,1,0,0,1|2,0,0]=4 1102 B13R2.33 O=C1CCC2=CC=CC=C2CC1 Q70223 [0,0,0,0,0,2|1,0,0]=3 1103 B13R2.163 O=C1CC2=CC=CC=C2CCN1 M22915 [0,0,0,0,0,2|1,0,0]=3 1104 B13R2.5252 O=C1CCCCC2=C1C=CN=C2 S72652 [0,0,0,0,0,2|2,0,0]=4 1105 B13R2.5252 O=C1CCCCC2=C1C=NC=C2 S72653 [0,0,0,0,0,2|2,0,0]=4 1106 B13R2.5252 O=C1CCCNC2=CC=CC=C12 P50984 [0,0,0,0,0,2|1,0,0]=3