0 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC(C)C1=CN=C(Br)S1 27295 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 CC(C)C1=CN=C(N)S1 84416 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,0,0,0,0,0|2,1,0]=3 22 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 CC1=NC(C(N)=S)=CS1 58591 [0,0,0,0,0,0|3,1,0]=4 28 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,0,0,0,0,0|2,1,0]=3 29 B9R1.35 CC1=NN=C(C(=O)O)S1 I11693 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.35 CC1=NN=C(C(=O)[O-])S1 I10757 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.35 CC1=NOC(C(=O)[O-])=N1 80103 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 CN1C=NC(C(=O)O)=N1 72561 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,0,0,0,0,0|2,1,1]=4 36 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,0,0,0,0,0|2,1,1]=4 37 B9R1.35 FC(F)C1=CC=C(Br)S1 W16588 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.35 NC(=O)C1=NN=C(Cl)S1 72503 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 AC1555 [0,0,0,0,0,0|3,1,0]=4 63 B9R1.35 O=[N+]([O-])C1=NC=C(Br)S1 C73532 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.1 CC1=CC=C(CN)S1 71266 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,0,0,0,0,0|0,0,2]=3 68 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.1 CC1=CN=C(CO)S1 C73831 [1,0,0,0,0,0|1,0,2]=4 70 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.1 CC1=NC(C=O)=NO1 F13848 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 CC1=NC=C(C#N)S1 F13465 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,0,0,0,0,0|1,1,0]=3 76 B8R1.1 CC1=NC=C(CBr)S1 F16665 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.1 CC1=NC=C(CN)S1 72160 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.1 CC1=NC=C(CN)S1 F14010 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,0,0,0,0,0|0,1,1]=3 82 B8R1.1 CCC1=CN=C(N)S1 84403 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.1 CN1C=NC(C=O)=N1 D82935 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.1 CNC1=NN=C(C)S1 71271 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.1 COC1=NC=C(Br)S1 78090 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.1 CSC1=CN=C(N)S1 C77378 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.1 CSC1=NN=C(C)S1 D80857 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.1 N#CC1=CC=C(F)S1 37626 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.1 N#CC1=CC=C(I)S1 C73627 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.1 N#CC1=CC=C(N)S1 53143 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.1 NCC1=CC=C(Br)S1 P15264 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.1 O=CC1=COC(Br)=N1 AT11059 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 O=CC1=CSC(Cl)=N1 25211 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.1 O=CC1=NN=C(Cl)S1 Y11504 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,0,0,0,0,0|1,1,0]=3 105 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,0,0,0,0,0|1,1,0]=3 106 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,0,0,0,0,0|1,0,0]=2 107 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,0,0,0,0,0|1,0,0]=2 108 B8R1.7 CC(=O)C1=CN=NS1 66662 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.7 CC(=O)C1=CNN=C1 50308 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,0,0,0,0,0|1,1,0]=3 111 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.7 CC(C)C1=CC=CO1 81450 [1,0,0,0,0,0|1,1,1]=4 113 B8R1.7 CN(C)C1=NC=CS1 N10099 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,0,0,0,0,0|1,1,1]=4 115 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,0,0,0,0,0|1,1,1]=4 116 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,0,0,0,0,0|1,0,1]=3 117 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,0,0,0,0,0|1,0,1]=3 118 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,0,0,0,0,0|1,0,1]=3 119 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,0,0,0,0,0|1,0,1]=3 120 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,0,0,0,0,0|1,0,1]=3 121 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [1,0,0,0,0,0|1,0,2]=4 125 B8R1.7 N=C(N)C1=CC=CS1 C15965 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.7 NC(=O)C1=CC=NO1 F30843 [1,0,0,0,0,0|2,1,0]=4 127 B8R1.7 NC(=O)C1=CN=CO1 78451 [1,0,0,0,0,0|2,1,0]=4 128 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.7 NC(=O)C1=COC=N1 35847 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.7 NC(=O)C1=NC=CS1 A10602 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.7 NC(=O)C1=NSC=C1 F14137 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.14 CC1=CC=C(C(=O)NN)O1 79439 [0,1,0,0,0,0|1,1,0]=3 136 B10R1.14 CC1=NC(C(=O)NN)=CO1 D79715 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.14 CC1=NOC(C(=O)CBr)=C1 O10667 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33601 [0,1,0,0,0,0|1,1,1]=4 139 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33602 [0,1,0,0,0,0|1,1,1]=4 140 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33622 [0,1,0,0,0,0|1,1,1]=4 141 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10462 [0,1,0,0,0,0|1,1,1]=4 142 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10471 [0,1,0,0,0,0|1,1,1]=4 143 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10537 [0,1,0,0,0,0|1,1,1]=4 144 B10R1.14 CN1C=C(C(=O)CBr)C=N1 Y10059 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.14 CNC(=O)C1=CN=C(N)S1 C71570 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.14 CNC(=O)C1=NOC(C)=C1 C11165 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.14 COC(=O)C1=CC(C)=NO1 W10289 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.14 COC(=O)C1=CC(Cl)=CS1 P12968 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.14 COC(=O)C1=CC(F)=CN1 68046 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.14 COC(=O)C1=CC(F)=CS1 F21319 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.14 COC(=O)C1=CC(I)=CN1 80242 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,1,0,0,0,0|1,1,0]=3 154 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.14 COC(=O)C1=CN(C)N=C1 F17310 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.14 COC(=O)C1=CN=C(Br)O1 26636 [0,1,0,0,0,0|2,1,0]=4 160 B10R1.14 COC(=O)C1=CN=C(Cl)O1 24825 [0,1,0,0,0,0|2,1,0]=4 161 B10R1.14 COC(=O)C1=CN=C(N)O1 C77206 [0,1,0,0,0,0|2,1,0]=4 162 B10R1.14 COC(=O)C1=CNC(=O)N1 32398 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.14 COC(=O)C1=CNC(Br)=C1 30522 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.14 COC(=O)C1=COC(Br)=N1 24396 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.14 COC(=O)C1=CSC(N)=C1 W15215 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.14 COC(=O)C1=NC(C)=NO1 W16221 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.14 COC(=O)C1=NC(C)=NS1 72369 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.14 COC(=O)C1=NC=C(Br)S1 P11750 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.14 COC(=O)C1=NC=C(C)S1 25239 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.14 COC(=O)C1=NC=C(N)N1 D80282 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.14 COC(=O)C1=NN(C)C=N1 26857 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.14 COC(=O)C1=NN(C)N=C1 31007 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.14 COC(=O)C1=NOC(C)=N1 C90423 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.14 O=C(CBr)C1=CC=C(Br)O1 C90418 [0,1,0,0,0,0|1,1,0]=3 177 B10R1.31 CC(C)C1=NC=C(CN)S1 D80421 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.31 CCC1=NC(C(=O)O)=CS1 69872 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.31 CCC1=NC(C(=O)O)=CS1 C73183 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.31 CN(C)C1=CC=C(C=O)S1 C74250 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [0,1,0,0,0,0|2,1,0]=4 183 B10R1.31 COC1=NOC(C(C)=O)=C1 98350 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.31 N#CC1=CC=C(C(=O)O)O1 N12973 [0,1,0,0,0,0|1,1,1]=4 186 B10R1.31 N#CC1=CC=C(C(=O)O)S1 89049 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.31 NCC1=CC=C([N+](=O)[O-])S1 31756 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.31 O=C(O)C1=CSC(CO)=N1 W17565 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.31 O=CC1=NC=C(C(=O)O)S1 F14409 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)O1 AT17332 [0,1,0,0,0,0|2,1,0]=4 191 B10R1.55 C[Si](C)(C)C1=CC=C(Br)S1 T70463 [0,1,0,0,0,0|2,1,0]=4 192 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 O10303 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 C75701 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 63233 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 36278 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.58 CC1=C(Br)SC(C(=O)O)=N1 F13815 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.58 CC1=C(Br)SC(C(=O)[O-])=N1 AT24928 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.58 CC1=CC(C(=O)O)=CN1C 72960 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.58 CN1N=C(C(=O)O)C=C1Br 80200 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.58 CN1N=C(C(=O)O)C=C1Cl 80334 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.58 CN1N=C(C(=O)O)C=C1N 38065 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.58 NC(=O)C1=CC(Cl)=C(Cl)N1 C75354 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 C16067 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 C71923 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,1,0,0,0,0|0,1,0]=2 209 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 83678 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 W17906 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 73926 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.59 CC(=O)C1=NN(C)C=C1Cl E70434 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 D73863 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 F16072 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 C75414 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.59 CC1=CN(C)N=C1C(=O)O 22968 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 C11013 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 57638 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 C10776 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 AC1879 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.59 NC(=O)C1=C(N)C=C(Br)S1 F30708 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 C10746 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 27825 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 N12995 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 F16141 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.194 CC(=O)C1=CNC(Br)=C1C S10057 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 71336 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.194 CC1=NC=C(C(=O)O)N1C F11120 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.194 CN1C(Br)=CC=C1C(=O)O 26338 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,0,1,0,0,0|1,0,2]=4 238 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,0,0,0,0,1|2,0,0]=3 240 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,0,0,0,0,1|2,0,0]=3 245 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,0,0,0,0,1|2,0,0]=3 246 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,0,0,0,0,1|2,0,0]=3 248 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,0,0,0,0,1|1,0,2]=4 249 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,0,0,0,0,1|2,0,1]=4 250 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,0,0,0,0,1|2,0,1]=4 251 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,0,0,0,0,1|1,0,2]=4 252 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,0,0,0,0,1|2,0,1]=4 256 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,0,0,0,0,1|3,0,0]=4 257 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,0,0,0,0,1|2,0,1]=4 258 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,0,0,0,0,1|1,0,2]=4 259 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,0,0,0,0,1|2,0,1]=4 260 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,0,0,0,0,1|2,0,1]=4 261 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,0,0,0,0,1|3,0,0]=4 262 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,0,0,0,0,1|3,0,0]=4 264 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 A10073 [0,0,0,0,0,1|2,0,1]=4 268 B10R1.54 CC(=O)O[C@@H]1C=CC(=O)C1 P15221 [0,0,0,0,0,1|2,0,1]=4 269 B10R1.54 CC1=CC=C(CN(C)C)O1 T71781 [0,0,0,0,0,1|2,1,0]=4 270 B10R1.54 NC1=NC=C(CC(=O)O)S1 38971 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,0,0,0,0,1|2,0,0]=3 272 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,0,0,0,0,1|2,0,0]=3 274 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,0,0,0,0,1|3,0,0]=4 275 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,0,0,0,0,1|2,0,0]=3 276 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,0,0,0,0,1|2,0,0]=3 277 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,0,0,0,0,1|1,0,0]=2 278 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,0,0,0,0,1|2,0,0]=3 282 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,0,0,0,0,1|2,0,0]=3 283 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,0,0,0,0,1|2,0,0]=3 284 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,0,0,0,0,1|1,0,0]=2 287 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,0,0,0,0,1|2,0,0]=3 288 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,0,0,0,0,1|2,0,0]=3 289 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,0,0,0,0,1|2,0,0]=3 290 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,0,0,0,0,1|1,0,2]=4 293 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,0,0,0,0,1|2,0,0]=3 295 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,0,0,0,0,1|2,0,1]=4 296 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,0,0,0,0,1|2,0,1]=4 297 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,0,0,0,0,1|2,0,1]=4 298 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,0,0,0,0,1|2,0,1]=4 299 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,0,0,0,0,1|2,0,1]=4 300 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,0,0,0,0,1|1,0,2]=4 301 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,0,0,0,0,1|1,0,2]=4 302 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,0,0,0,0,1|1,0,2]=4 303 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.113 CC1=CC=NC(C(=N)N)=N1 P12879 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,0,0,0,0,1|2,0,0]=3 306 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,0,0,0,0,1|2,0,0]=3 307 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [0,0,0,0,0,1|2,0,1]=4 308 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [0,0,0,0,0,1|2,0,1]=4 309 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,0,0,0,0,1|3,0,0]=4 313 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,0,0,0,0,1|3,0,0]=4 316 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,0,0,0,0,1|3,0,0]=4 319 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,0,0,0,0,1|3,0,0]=4 323 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,0,0,0,0,1|3,0,0]=4 324 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,0,0,0,0,1|3,0,0]=4 325 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,0,0,0,0,1|3,0,0]=4 326 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|1,0,0]=3 327 B7R1.1 C=CC1=CC=CS1 C10114 [2,0,0,0,0,0|0,0,1]=3 328 B7R1.1 CNC1=NC=CS1 26158 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.1 ClCC1=CC=CS1 79790 [2,0,0,0,0,0|1,0,1]=4 330 B7R1.1 O=CC1=CC=C[Se]1 T72165 [2,0,0,0,0,0|0,1,0]=3 331 B7R1.1 O=CC1=CC=NS1 62852 [2,0,0,0,0,0|1,0,0]=3 332 B7R1.1 O=CC1=CCC=C1 77835 [2,0,0,0,0,0|1,0,1]=4 333 B7R1.1 O=CC1=CN=CO1 39069 [2,0,0,0,0,0|1,1,0]=4 334 B7R1.1 O=CC1=NOC=C1 P10400 [2,0,0,0,0,0|2,0,0]=4 335 B7R1.2 CC1=CC=C(Br)O1 C71939 [2,0,0,0,0,0|1,1,0]=4 336 B7R1.2 CC1=CN=C(N)S1 C13827 [2,0,0,0,0,0|2,0,0]=4 337 B7R1.2 CC1=CNC(=O)N1 O11257 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.2 CC1=CNC(=O)S1 C90545 [2,0,0,0,0,0|1,0,0]=3 339 B7R1.2 CC1=CSC(C)=C1 O10605 [2,0,0,0,0,0|2,0,0]=4 340 B7R1.2 CC1=NC=C(Br)S1 29668 [2,0,0,0,0,0|2,0,0]=4 341 B7R1.2 CC1=NC=C(N)S1 80222 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [2,0,0,0,0,0|0,1,1]=4 343 B7R1.2 OC1=CC=C(Br)S1 C72253 [2,0,0,0,0,0|1,0,1]=4 344 B9R1.7 CC1=CC=C(CCN)S1 29986 [1,1,0,0,0,0|0,0,1]=3 345 B9R1.7 CC1=CC=C(CCO)O1 F16227 [1,1,0,0,0,0|0,1,1]=4 346 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.21 CSC1=CC=C(CO)O1 D93647 [1,1,0,0,0,0|1,1,0]=4 350 B9R1.21 N#CC1=CC=C(CBr)S1 26290 [1,1,0,0,0,0|1,0,1]=4 351 B9R1.21 N#CC1=CC=C(CN)S1 AB1094 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [1,1,0,0,0,0|0,1,0]=3 353 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.22 CC1=C(C=O)SC(Br)=N1 C77197 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.22 CC1=CC(N)=C(C#N)S1 50003 [1,1,0,0,0,0|1,0,1]=4 356 B9R1.22 COC1=C(Br)C=C(Br)S1 95246 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.22 O=CC1=C(Cl)NC(=O)S1 F20156 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.23 O=CC1=CC(Br)=C(Br)S1 D77762 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.132 CC1=CNC(C=O)=C1C 39169 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.132 CC1=NC=C(C=O)N1C C15385 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.132 CN1C(Br)=CC=C1C=O O11356 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.11 CCC(=O)C1=COC=C1 N14291 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [1,1,0,0,0,0|1,0,0]=3 366 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.11 COC(=O)C1=CC=NS1 62854 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.11 COC(=O)C1=COC=N1 22956 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.11 COC(=O)C1=NC=CO1 C74629 [1,1,0,0,0,0|1,1,0]=4 370 B9R1.11 NNC(=O)C1=CN=CS1 D79739 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.11 NNC(=O)C1=NC=CS1 78397 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [1,1,0,0,0,0|0,1,0]=3 375 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,1,0,0,0,0|0,1,0]=3 376 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [1,1,0,0,0,0|0,1,1]=4 377 B9R1.19 CC(C)(C)C1=CC=CS1 AC4668 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.19 O=S(=O)(O)C1=CC=CS1 C76553 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.41 CC(=O)C1=CN=CN1C W13364 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.41 CC(=O)C1=CNC=C1C W17613 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.41 CC(=O)C1=NC=CN1C 38319 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.41 NC(=O)C1=CC=CN1N P15055 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [1,1,0,0,0,0|1,1,0]=4 386 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,1,0,0,0,1|1,0,1]=4 391 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,1,0,0,0,1|1,0,0]=3 393 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [0,1,0,0,0,1|1,0,1]=4 394 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.21 CC(=O)C1=CC(=O)N(C)C=C1 90625 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,1,0,0,0,1|1,0,0]=3 415 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,1,0,0,0,1|1,0,0]=3 421 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.21 CC1=NC=C(C(N)=O)S[C@H]1C C73720 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,0,1|1,0,0]=3 434 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,0,0,0,1|1,0,0]=3 443 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.22 O=C(CCl)C1=NC=C(F)C=C1 AC1560 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,1,0,0,0,1|1,0,0]=3 451 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,1,0,0,0,1|1,0,0]=3 458 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.39 COC(=O)CC1=CC=C(Br)S1 79451 [0,1,0,0,0,1|1,0,0]=3 466 B11R1.39 COC(=O)CC1=CN=C(C)O1 AC2373 [0,1,0,0,0,1|1,1,0]=4 467 B11R1.39 COC(=O)CC1=CN=C(N)S1 P10299 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.43 CC(=O)NC1=NC=C(C=O)S1 82687 [0,1,0,0,0,1|1,0,1]=4 469 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 71321 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,0,1|1,0,0]=3 472 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 80119 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 CL9440 [0,1,0,0,0,1|1,0,0]=3 490 B11R1.74 CC(=O)C1=CC(Cl)=NC(C)=C1 90620 [0,1,0,0,0,1|1,0,0]=3 491 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 72212 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 D93344 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 98263 [0,1,0,0,0,1|1,0,0]=3 494 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,1,0,0,0,1|1,0,0]=3 495 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=N1 90621 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 85554 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 75580 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,1,0,0,0,1|1,0,0]=3 504 B11R1.159 CC(=O)C1=C(N)C(Cl)=NC=C1 F53540 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.159 CC1=NC=CC(C(=O)O)=C1N C90386 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 33205 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.167 CC(=O)C1=C(Br)C=NC(Cl)=C1 79385 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 27765 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,1,0,0,0,1|1,0,0]=3 526 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 C71246 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 W16972 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 37636 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 C76925 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 66252 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.266 CC(=O)C1=CC(C#N)=NC=C1 29163 [0,1,0,0,0,1|1,0,1]=4 542 B11R1.266 CC(=O)C1=NC(C#N)=CC=C1 C73010 [0,1,0,0,0,1|1,0,1]=4 543 B11R1.266 CC(=O)C1=NC(CO)=CC=C1 58596 [0,1,0,0,0,1|1,0,0]=3 544 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,1,0,0,0,1|1,0,0]=3 548 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.266 COC1=CC=NC(C(C)=O)=N1 D83386 [0,1,0,0,0,1|1,0,0]=3 550 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.266 COC1=NC=CC(C(=O)O)=N1 C76423 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.266 COC1=NC=CC(C(C)=O)=C1 29192 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.266 COC1=NC=CC(C(C)=O)=N1 D85888 [0,1,0,0,0,1|1,0,0]=3 554 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 24986 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.266 NC(=O)C1=CC(CO)=CC=C1 W12789 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 35878 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 A10630 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.15 CCOC(=O)C1=CC(C)=CN1 83098 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.15 CCOC(=O)C1=CC(C)=CS1 H11525 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 78881 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.15 CCOC(=O)C1=CN=C(S)S1 SC1360 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.15 CCOC(=O)C1=CNC(C)=C1 D76379 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.15 CCOC(=O)C1=CNC(C)=N1 D95741 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.15 CCOC(=O)C1=NC(C)=CO1 F13742 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.15 CCOC(=O)C1=NC=C(Br)S1 F52709 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.15 CCOC(=O)C1=NC=C(C)N1 96258 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.15 CCOC(=O)C1=NC=C(C)O1 F14099 [0,2,0,0,0,0|1,1,0]=4 569 B11R1.15 CCOC(=O)C1=NN(C)C=C1 O11735 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.15 CCOC(=O)C1=NN=C(C)S1 31771 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.44 COC(=O)C1=CC(CN)=CS1 C77132 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.44 COC(=O)C1=CC=C(C#N)S1 89051 [0,2,0,0,0,0|0,0,1]=3 573 B11R1.44 COC(=O)C1=CC=C(C=O)O1 A11318 [0,2,0,0,0,0|0,1,1]=4 574 B11R1.44 COC(=O)C1=CC=C(CN)N1 O11942 [0,2,0,0,0,0|1,0,0]=3 575 B11R1.44 COC(=O)C1=CC=C(OC)S1 AC2452 [0,2,0,0,0,0|0,0,0]=2 576 B11R1.44 COC(=O)C1=CN=C(C=O)S1 P13174 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.44 COC(=O)C1=CSC(CN)=N1 72355 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.44 COC(=O)C1=NC=C(OC)O1 AC6206 [0,2,0,0,0,0|1,1,0]=4 579 B11R1.225 CC1=NC(C)=C(C(=O)NN)S1 W18794 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.225 CN1C=C(Cl)C(C(=O)CBr)=N1 C73919 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.225 COC(=O)C1=C(Br)C=C(C)S1 24401 [0,2,0,0,0,0|0,0,0]=2 582 B11R1.225 COC(=O)C1=C(Br)C=C(I)S1 57934 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.225 COC(=O)C1=C(Br)SC(C)=C1 71863 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.225 COC(=O)C1=C(C)C=C(Br)O1 W11701 [0,2,0,0,0,0|1,1,0]=4 585 B11R1.225 COC(=O)C1=C(C)C=C(Br)S1 AC2449 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.225 COC(=O)C1=C(C)C=C(N)S1 W15346 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.225 COC(=O)C1=C(C)N=C(C)S1 W18908 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.225 COC(=O)C1=C(F)C=C(Br)S1 D82840 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.225 COC(=O)C1=C(N)C=C(I)S1 O11901 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.225 COC(=O)C1=C(O)C=C(Cl)S1 C77287 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.225 COC(=O)C1=NN(C)C=C1Br F17301 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.225 COC(=O)C1=NN(C)C=C1I C10778 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.225 COC(=O)C1=NN(C)C=C1N S10722 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.226 CNC(=O)C1=NN(C)C(C)=C1 78294 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)O1 31601 [0,2,0,0,0,0|1,1,0]=4 596 B11R1.226 COC(=O)C1=CC(Br)=C(Cl)S1 F30473 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)S1 C77003 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 O11952 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.226 COC(=O)C1=CC(F)=C(Cl)S1 D83984 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.226 COC(=O)C1=CC(N)=C(Br)S1 O11928 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 27666 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.226 COC(=O)C1=NN(C)C(Br)=C1 C10683 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 W18238 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.226 COC(=O)C1=NN(C)C(N)=C1 36248 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.865 COC(=O)C1=C(I)C(C)=CS1 A12879 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.865 COC(=O)C1=CC=C(Br)N1C 90136 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.45 NCC1=CC=C(S(N)(=O)=O)S1 C11255 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.50 CNC1=NC(C)=C(C(C)=O)S1 W18020 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.175 CC(=O)C1=CC=C(C(C)=O)O1 D97255 [0,2,0,0,0,0|0,1,0]=3 610 B11R1.175 CC(C)C1=CC=C(C(=O)O)N1 C77075 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.175 CC(C)C1=NC=C(C(=O)O)S1 44092 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.79 CC1=C(Br)C=C(C(C)(C)C)S1 W16019 [0,2,0,0,0,0|1,0,1]=4 613 B11R1.646 CC1=CC(Br)=C(C(C)(C)C)S1 W16020 [0,2,0,0,0,0|1,0,1]=4 614 B11R1.672 O=C(O)C1=C(Br)C(Br)=C(Br)S1 A12609 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.672 O=C(O)C1=C(Cl)C(Cl)=C(Cl)S1 AC5753 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.49 CCC1=C(C(=O)O)SC(C)=N1 25111 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.49 CCC1=C(C(C)=O)SC(N)=N1 W17901 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,0,1,1,0,0|2,0,0]=4 619 B11R2.60 CN1C=CC2=C1CCC2=O P17572 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [1,0,0,0,0,1|1,0,1]=4 621 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [1,0,0,0,0,1|1,0,1]=4 622 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [1,0,0,0,0,1|1,0,1]=4 623 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,0,0,0,0,1|1,0,0]=3 624 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,0,0,0,0,1|1,0,1]=4 625 B9R1.2 CNC1=NC(C)=CN=C1 74811 [1,0,0,0,0,1|2,0,0]=4 626 B9R1.2 COC1=NC(C)=CC=N1 C72586 [1,0,0,0,0,1|2,0,0]=4 627 B9R1.2 COC1=NC(C)=NC=C1 73836 [1,0,0,0,0,1|2,0,0]=4 628 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,0,0,0,0,1|2,0,0]=4 629 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [1,0,0,0,0,1|2,0,0]=4 630 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [1,0,0,0,0,1|2,0,0]=4 631 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [1,0,0,0,0,1|2,0,0]=4 632 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,0,0,0,0,1|2,0,0]=4 633 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,0,0,0,0,1|2,0,0]=4 634 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [1,0,0,0,0,1|0,0,0]=2 635 B9R1.13 O=C(O)CC1=CC=CN1 29609 [1,0,0,0,0,1|2,0,0]=4 636 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [1,0,0,0,0,1|1,1,0]=4 637 B9R1.13 O=C(O)CC1=CN=CS1 P10574 [1,0,0,0,0,1|2,0,0]=4 638 B9R1.13 O=C(O)CC1=NC=CS1 26228 [1,0,0,0,0,1|2,0,0]=4 639 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,0,0,0,0,2|1,0,0]=3 640 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,0,0,0,0,2|2,0,0]=4 641 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,0,0,0,0,2|2,0,0]=4 642 B11R1.20 CC(=O)NC1=NN=C(Cl)C=C1 F52718 [0,0,0,0,0,2|2,0,0]=4 643 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,0,0,0,0,2|2,0,0]=4 644 B11R1.75 CC1=CC=C(CCC(=O)O)O1 W18846 [0,0,0,0,0,2|1,1,0]=4 645 B11R1.75 CC1=CC=C(CCC(=O)O)S1 71574 [0,0,0,0,0,2|1,0,0]=3 646 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 36520 [0,0,0,0,0,2|2,0,0]=4 647 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 FD10602 [0,0,0,0,0,2|2,0,0]=4 648 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,0,0,0,0,2|2,0,0]=4 649 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,0,0,0,0,2|2,0,0]=4 650 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,0,0,0,0,2|2,0,0]=4 651 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,0,0,0,0,2|2,0,0]=4 652 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,0,0,0,0,2|2,0,0]=4 653 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,0,0,0,0,2|2,0,0]=4 654 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,0,0,0,0,2|2,0,0]=4