0 B7R0.4 CCCSCC(=O)O 6980AD [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CC\C=C\CC(=O)O 7477AF [0,0,0,0,0,0|0,0,2]=2 3 B7R0.4 CNCCCC(=O)O 2115AA [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 COCC#CC(=O)O 2855AJ [0,0,0,0,0,0|1,0,3]=4 5 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,0,0,0,0,0|0,0,0]=1 6 B6R0.4 CCNCC(=O)O X5133 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CNCCC(=O)O 5026AF [1,0,0,0,0,0|1,0,2]=4 8 B6R0.4 CSSCC(=O)O KMA0116 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 C=CCC\C=C\C 4658AL [1,0,0,0,0,0|1,0,2]=4 10 B6R0.6 CCC\C=C/CO 7423AL [1,0,0,0,0,0|0,0,3]=4 11 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,1,0,0,0,0|0,0,2]=3 12 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,1,0,0,0,0|1,0,2]=4 13 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,1,0,0,0,0|0,0,3]=4 14 B8R0.9 COC(=O)\C=C/C(=O)O F587 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,1,0,0,0,0|2,0,0]=3 16 B8R0.28 C=C(C)CCCC(=O)O X3484 [0,1,0,0,0,0|0,0,3]=4 17 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [0,1,0,0,0,0|1,0,2]=4 18 B8R1.1 CC1=CC=C(C#N)O1 4023AD [0,0,0,1,0,0|2,0,1]=4 19 B8R1.1 CC1=NC=C(C=O)O1 4199AC [0,0,0,1,0,0|3,0,0]=4 20 B8R1.1 CCC1=CC=C(C)O1 8739AA [0,0,0,1,0,0|1,0,1]=3 21 B8R1.1 O=CC1=CC=C(I)S1 7666AB [0,0,0,1,0,0|2,1,0]=4 22 B8R1.1 O=CC1=CNC(=O)N1 1313AC [0,0,0,1,0,0|3,0,0]=4 23 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 CC1=CC(=O)NN=C1 X7047 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 CC1=CC(I)=NC=C1 1274AB [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 CC1=CC(N)=CC=C1 5136AF [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 CC1=CN=CC(Br)=C1 3129AA [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 CC1=CN=CC(N)=C1 3277AJ [0,0,0,1,0,0|3,0,0]=4 29 B8R1.4 CC1=CN=NC(=O)C1 5887AH [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 NC1=CC(Br)=CC=C1 J70044 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 NC1=CC=CC(F)=C1 W4217 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 NC1=CC=CC(N)=N1 7294AA [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 NC1=CC=CC(O)=C1 7262AB [0,0,0,1,0,0|2,0,0]=3 34 B8R1.4 OC1=CN=CC(I)=C1 7258AD [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 OC1=NC=CC(S)=N1 Z2909 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 SC1=CC=CC(S)=C1 4506AL [0,0,0,1,0,0|2,1,0]=4 37 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,0,0,1,0,0|2,0,1]=4 38 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.7 NC(=O)C1=CNC=C1 1113AC [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 NC(=O)C1=CNC=N1 2439AB [0,0,0,1,0,0|3,0,0]=4 42 B8R1.7 NC(=O)C1=CSC=C1 4677AE [0,0,0,1,0,0|2,0,1]=4 43 B8R1.7 O=C(O)C1=CON=C1 V2366 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.7 O=C(O)C1=NOC=N1 0830AF [0,0,0,1,0,0|3,0,0]=4 46 B8R1.7 O=C(O)C1=NON=C1 W9121 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,0,0,1,0,0|2,0,0]=3 48 B8R1.7 O=C(O)C1=NSN=C1 4605AH [0,0,0,1,0,0|3,0,0]=4 49 B8R1.7 O=C(O)C1C=CCN1 0852AE [0,0,0,1,0,0|1,0,2]=4 50 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,0,0,1,0,0|1,0,2]=4 51 B8R1.7 O=C([O-])C1=NC=CS1 4281AE [0,0,0,1,0,0|2,0,1]=4 52 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,0,0,1,0,0|0,0,2]=3 53 B5R0.1 C=CCC(N)=O Y1568 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 O=C(O)\C=C/Br V3608 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 O=C(O)\C=C/I 9333AB [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 O=C(O)\C=C\I V7047 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.2 C=CC(C)CC(=O)O 9796AA [1,1,0,0,0,0|0,0,2]=4 58 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [1,1,0,0,0,0|2,0,0]=4 59 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,1,0,0,0,0|0,0,1]=3 60 B7R0.5 C=CCC(N)C(=O)O 7090AA [1,1,0,0,0,0|0,0,2]=4 61 B7R0.5 CCCC(=O)C(=O)O 5775AL [1,1,0,0,0,0|0,0,2]=4 62 B7R0.6 CC(=O)SCC(=O)O Y7206 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.6 CC(=O)\C=C\C(=O)O Y9180 [1,1,0,0,0,0|0,0,0]=2 64 B7R0.7 C=COC(=O)\C=C\C E081 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,2,0,0,0,0|0,0,2]=4 66 B9R0.2 CCCC\C=C\CC(=O)O 7943AF [0,2,0,0,0,0|0,0,2]=4 67 B9R0.7 C=C(C)C(=O)NCC(=O)O 1598AB [0,2,0,0,0,0|1,0,1]=4 68 B7R1.2 BrC1=CC=C(Br)O1 Z5509 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.2 CC1=CC=C(Cl)S1 8881AA [1,0,0,1,0,0|1,1,0]=4 70 B7R1.2 CC1=CC=C(N)S1 5777AB [1,0,0,1,0,0|1,1,0]=4 71 B7R1.2 CC1=CN=C(N)O1 X6056 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.2 O=C1C=CC(O)O1 2926AL [1,0,0,1,0,0|1,0,1]=4 73 B7R1.3 NC1=CC=CC=C1 7089AL [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 O=C1C=CCCO1 X2978 [1,0,0,1,0,0|0,0,1]=3 75 B7R1.3 [SeH]C1=CC=CC=C1 8806AL [1,0,0,1,0,0|1,1,0]=4 76 B7R1.18 CC(=O)N1C=CC1 6529AA [1,0,0,1,0,0|2,0,0]=4 77 B7R1.1 CCC1=CC=NO1 3273AB [1,0,0,1,0,0|1,0,1]=4 78 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,1,0,0|1,0,0]=3 79 B7R1.1 CSC1=NC=CO1 6777AD [1,0,0,1,0,0|2,0,0]=4 80 B7R1.1 O=CC1=CC=C[Se]1 5634AL [1,0,0,1,0,0|1,0,0]=3 81 B7R1.1 O=CC1=CC=NS1 7399AB [1,0,0,1,0,0|2,0,0]=4 82 B7R1.1 O=CC1=CCSC1 2331AA [1,0,0,1,0,0|1,0,1]=4 83 B7R1.1 O=CC1=CN=CO1 X9341 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 O=CC1=NC=CO1 7478AE [1,0,0,1,0,0|2,0,0]=4 85 B7R1.1 O=CC1=NOC=C1 4723AC [1,0,0,1,0,0|2,0,0]=4 86 B7R1.4 CC1=C(Br)C=CO1 2185AJ [1,0,0,1,0,0|2,0,0]=4 87 B7R1.4 CC1=CCOC1=O 7576AD [1,0,0,1,0,0|1,0,1]=4 88 B7R1.4 CC1=CNC=C1C 2295AL [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 CC1=CSC=C1N 1699AB [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 CN1SC=CC1=O P432 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.6 O=CC=C1COC1 5578AC [1,0,0,1,0,0|1,0,1]=4 92 B7R1.24 C1=CC=C[CH+]C=C1 9390AL [1,0,0,1,0,0|1,0,1]=4 93 B9R1.7 CNCC1=CC=C(Br)O1 2148AF [0,1,0,1,0,0|1,0,1]=4 94 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,1,0,1,0,0|2,0,0]=4 95 B9R1.13 CC(=O)NC1=CC=CS1 D141 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,1,0,1,0,0|1,0,0]=3 97 B9R1.13 O=C(O)CC1=CN=CN1 7355AE [0,1,0,1,0,0|1,0,1]=4 98 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,1,0,1,0,0|0,0,2]=4 99 B9R1.13 O=C(O)CC1=CSC=N1 5235AJ [0,1,0,1,0,0|1,0,1]=4 100 B9R1.13 O=C(O)CC1=NC=CN1 6377AD [0,1,0,1,0,0|1,0,1]=4 101 B9R1.13 O=C(O)CC1=NC=CN1 9876AA [0,1,0,1,0,0|1,0,1]=4 102 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.13 O=C(O)CC1=NNC=C1 1006AJ [0,1,0,1,0,0|1,0,1]=4 104 B9R1.13 O=C(O)CC1=NOC=C1 9989AH [0,1,0,1,0,0|1,0,1]=4 105 B9R1.34 CC1=CC(=O)C=C(O)O1 0884AC [0,1,0,1,0,0|0,0,1]=3 106 B9R1.34 CC1=CC(Br)=CC(Br)=N1 2361AC [0,1,0,1,0,0|2,0,0]=4 107 B9R1.34 CC1=CC(Br)=CC(F)=N1 Z1863 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.34 CC1=CC(F)=CC(F)=N1 2846AC [0,1,0,1,0,0|2,0,0]=4 109 B9R1.34 CC1=CC(I)=CC(F)=N1 X7997 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.34 CC1=CC(N)=CC(Cl)=N1 Y4099 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.34 CC1=NC(Cl)=CC(Br)=C1 Z8243 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.34 NC1=CC(O)=CC(Cl)=C1 4097AC [0,1,0,1,0,0|2,0,0]=4 113 B9R1.34 NC1=CC(O)=CC(O)=C1 W7521 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.41 CC(=O)C1=C(C)C=CS1 Z5455 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.41 CC(=O)C1=C(C)N=CS1 4928AB [0,1,0,1,0,0|2,0,0]=4 116 B9R1.41 CC(=O)C1=C(C)NN=C1 4180AF [0,1,0,1,0,0|2,0,0]=4 117 B9R1.41 CC(=O)C1=C(C)ON=C1 7411AE [0,1,0,1,0,0|2,0,0]=4 118 B9R1.41 CC(=O)C1=C(N)C=CS1 3514AB [0,1,0,1,0,0|2,0,0]=4 119 B9R1.41 CC(=O)N1C=CC=C1Br 5036AJ [0,1,0,1,0,0|2,0,0]=4 120 B9R1.41 CC1=C(B(O)O)C=CO1 8522AH [0,1,0,1,0,0|1,0,1]=4 121 B9R1.41 CC1=C(B(O)O)C=CS1 Z0283 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.41 CC1=C(C(=O)Cl)OC=N1 Y9645 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.41 CC1=C(C(=O)O)NC=N1 4426AD [0,1,0,1,0,0|1,0,0]=3 124 B9R1.41 CC1=C([N+](=O)[O-])SC=C1 V5146 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.41 CC1=CSC=C1B(O)O X0578 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.41 CN1N=CN=C1C(=O)O 0091AF [0,1,0,1,0,0|2,0,0]=4 127 B9R1.41 NC(=O)C1=C(Br)SC=C1 9864AA [0,1,0,1,0,0|2,0,0]=4 128 B9R1.41 NC1=C(C(=O)O)NC=N1 6671AB [0,1,0,1,0,0|2,0,0]=4 129 B9R1.41 O=C(O)C1=C(Br)C=CO1 Z5464 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.41 O=C(O)C1=C(Cl)N=CS1 9502AJ [0,1,0,1,0,0|2,0,0]=4 131 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,1,0,0|1,0,1]=4 132 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [0,1,0,1,0,0|2,0,0]=4 134 B9R1.2 CC1=CN=CC(C=O)=N1 2745AA [0,1,0,1,0,0|2,0,0]=4 135 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [0,1,0,1,0,0|2,0,0]=4 136 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [0,1,0,1,0,0|2,0,0]=4 138 B9R1.2 CC1=NC=CC(C=O)=N1 X8509 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,1,0,0|2,0,0]=4 140 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,1,0,0|2,0,0]=4 141 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [0,1,0,1,0,0|2,0,0]=4 142 B9R1.2 COC1=CC(=O)NC=C1 W6732 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.2 COC1=CC(C)=CN=C1 2251AC [0,1,0,1,0,0|2,0,0]=4 144 B9R1.2 COC1=NC(C)=CN=C1 2865AB [0,1,0,1,0,0|2,0,0]=4 145 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.2 NC1=CC=CC(C=O)=N1 3868AB [0,1,0,1,0,0|2,0,0]=4 149 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [0,1,0,1,0,0|2,0,0]=4 150 B9R1.2 NCC1=CC(I)=CC=C1 5352AH [0,1,0,1,0,0|2,0,0]=4 151 B9R1.2 NCC1=CC=CC(=O)N1 Y7390 [0,1,0,1,0,0|1,0,0]=3 152 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,1,0,1,0,0|2,0,0]=4 154 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.2 NCC1=NC(N)=CC=C1 6407AJ [0,1,0,1,0,0|2,0,0]=4 156 B9R1.2 O=C1C=C(CO)C=CN1 5374AA [0,1,0,1,0,0|2,0,0]=4 157 B9R1.2 O=CC1=CC=CC(F)=N1 N399 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [0,1,0,1,0,0|2,0,0]=4 159 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,1,0,1,0,0|1,1,0]=4 161 B9R1.2 OCC1=NC(I)=CC=C1 0674AF [0,1,0,1,0,0|2,0,0]=4 162 B9R1.3 CC1=C(N)C(I)=CC=C1 2097AL [0,1,0,1,0,0|2,0,0]=4 163 B9R1.3 CC1=CC=CC(Cl)=C1C 9095AB [0,1,0,1,0,0|2,0,0]=4 164 B9R1.3 CC1=NC=CC(C)=C1O 2563AB [0,1,0,1,0,0|2,0,0]=4 165 B9R1.3 CC1=NC=CC(O)=C1O 2121AL [0,1,0,1,0,0|1,0,1]=4 166 B9R1.3 NC1=C(Br)C=CC=C1O X9168 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.3 NC1=C(I)C=CC=C1O X6266 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.3 NC1=C(O)C=CC=C1Br 1489AJ [0,1,0,1,0,0|2,0,0]=4 169 B9R1.3 OC1=C(I)C(Br)=CC=C1 3290AC [0,1,0,1,0,0|2,0,0]=4 170 B9R1.3 OC1=C(O)C(I)=CC=C1 0017AB [0,1,0,1,0,0|1,0,1]=4 171 B9R1.3 OC1=CC=CC(Br)=C1Br V6714 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.5 O=C1C=CC=CC=C1Cl 5558AL [0,1,0,1,0,0|1,0,1]=4 173 B9R1.11 COC(=O)C1=CC=NS1 4171AJ [0,1,0,1,0,0|2,0,0]=4 174 B9R1.11 COC(=O)C1=CN=CO1 Y7252 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.11 COC(=O)C1=COC=N1 8746AA [0,1,0,1,0,0|2,0,0]=4 176 B9R1.11 N#CC(=O)C1=CC=CO1 9015AB [0,1,0,1,0,0|2,0,0]=4 177 B9R1.11 N#CC(=O)C1=CC=CS1 6481AE [0,1,0,1,0,0|2,0,0]=4 178 B9R1.11 N\C(=N/O)C1=CC=CO1 2252AB [0,1,0,1,0,0|2,0,0]=4 179 B9R1.11 O=C(CBr)C1=CC=CO1 Y7600 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.11 O=CC(=O)C1=CC=CO1 8783AA [0,1,0,1,0,0|1,0,1]=4 181 B9R1.11 O=CC(=O)C1=CC=CS1 W3018 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.21 CCC1=CC=C(CC)O1 Z5436 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.21 COC1=CC=C(C=O)S1 4303AB [0,1,0,1,0,0|1,1,0]=4 184 B9R1.21 CSC1=CC=C(C=O)S1 Z2926 [0,1,0,1,0,0|1,1,0]=4 185 B9R1.21 N#CC1=CC=C(C=O)O1 5795AB [0,1,0,1,0,0|1,0,1]=4 186 B9R1.21 O=CC1=CC=C(CCl)O1 Y6574 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.21 O=CC1=CC=C(CO)N1 0366AC [0,1,0,1,0,0|2,0,0]=4 188 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,1,0,1,0,0|1,0,1]=4 189 B9R1.6 NC(=O)C1=NC=CC=N1 Z3390 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.6 O=C(Br)C1=CC=CC=C1 9276AB [0,1,0,1,0,0|1,0,1]=4 191 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.6 O=C(O)C1=CCCNC1 8985AB [0,1,0,1,0,0|0,0,2]=4 193 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,1,0,1,0,0|0,0,2]=4 194 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,1,0,1,0,0|0,0,2]=4 195 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,1,0,1,0,0|0,1,1]=4 196 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [0,1,0,1,0,0|0,0,2]=4 197 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [0,1,0,1,0,0|1,0,1]=4 198 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [0,1,0,1,0,0|1,0,1]=4 199 B9R1.84 O=C(O)\C=C\C1CCC1 0196AP [0,1,0,1,0,0|0,0,2]=4 200 B9R1.23 CC1=C(C)OC(C=O)=C1 Y9335 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.23 O=CC1=CC(Br)=C(Br)O1 D393 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.35 CC(=O)C1=CC(Cl)=CS1 W5634 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [0,1,0,1,0,0|1,0,0]=3 204 B9R1.35 CC(=O)C1=NC(C)=CO1 5140AC [0,1,0,1,0,0|2,0,0]=4 205 B9R1.35 CC(=O)C1=NC=C(C)S1 Y9563 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.35 CC(=O)C1=NN(C)C=C1 2329AL [0,1,0,1,0,0|2,0,0]=4 207 B9R1.35 CC1=CC=C(C(C)N)O1 7302AE [0,1,0,1,0,0|1,0,1]=4 208 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [0,1,0,1,0,0|1,0,0]=3 209 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [0,1,0,1,0,0|1,0,0]=3 210 B9R1.35 CC1=CNC(C(=O)O)=N1 Y9876 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.35 CC1=NC(C(=O)O)=CO1 V4541 [0,1,0,1,0,0|1,0,0]=3 212 B9R1.35 CC1=NC(C(=O)O)=NO1 6632AD [0,1,0,1,0,0|2,0,0]=4 213 B9R1.35 CC1=NC(C(N)=O)=CS1 Y5140 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.35 CC1=NN=C(C(=O)O)O1 7252AB [0,1,0,1,0,0|2,0,0]=4 215 B9R1.35 CC1=NN=C(C(=O)O)S1 6856AB [0,1,0,1,0,0|2,0,0]=4 216 B9R1.35 CC1=NNC(C(=O)O)=N1 1135AC [0,1,0,1,0,0|2,0,0]=4 217 B9R1.35 CC1=NSC(C(=O)O)=C1 7851AE [0,1,0,1,0,0|2,0,0]=4 218 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,1,0,1,0,0|2,0,0]=4 219 B9R1.35 NC1=CSC(C(=O)O)=C1 6089AJ [0,1,0,1,0,0|1,0,0]=3 220 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 Y6706 [0,1,0,1,0,0|0,0,2]=4 221 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 0632AA [0,1,0,1,0,0|0,0,2]=4 222 B9R1.35 O=C(O)C1=CC(Cl)=NO1 0612AB [0,1,0,1,0,0|2,0,0]=4 223 B9R1.35 O=C(O)C1=CC(F)=CS1 3617AB [0,1,0,1,0,0|1,0,0]=3 224 B9R1.35 O=C(O)C1=CC(I)=CN1 2020AB [0,1,0,1,0,0|1,0,0]=3 225 B9R1.35 O=C(O)C1=CC=C(Br)N1 2776AB [0,1,0,1,0,0|1,0,0]=3 226 B9R1.35 O=C(O)C1=CC=C(F)S1 W6292 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [0,1,0,1,0,0|1,0,0]=3 228 B9R1.35 O=C(O)C1=COC(I)=N1 4876AA [0,1,0,1,0,0|2,0,0]=4 229 B9R1.35 O=C(O)C1=NC(Br)=CO1 X6341 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.35 O=C(O)C1=NC=C(Br)S1 Y4853 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.35 O=C(O)C1=NC=C(Cl)S1 Y6782 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [0,1,0,1,0,0|0,0,1]=3 233 B9R1.69 CC1=C(Br)C=NC(=O)N1 9639AB [0,1,0,1,0,0|2,0,0]=4 234 B9R1.69 CC1=C(I)C=CC(N)=N1 W8256 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.69 CC1=C(S)C=CC(F)=C1 0479AF [0,1,0,1,0,0|2,0,0]=4 236 B9R1.69 CC1=CC(N)=C(N)C=C1 1704AA [0,1,0,1,0,0|2,0,0]=4 237 B9R1.69 CC1=CC(O)=C(N)N=C1 6871AD [0,1,0,1,0,0|2,0,0]=4 238 B9R1.69 CC1=CC=C(C)C(N)=C1 7917AF [0,1,0,1,0,0|2,0,0]=4 239 B9R1.69 CC1=CC=C(Cl)C(I)=C1 Z0413 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.69 CC1=CC=C(I)C(O)=C1 1743AJ [0,1,0,1,0,0|1,0,0]=3 241 B9R1.69 CC1=CC=C(N)C(O)=N1 Z8999 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.69 CC1=CC=C(O)C(Cl)=N1 V5467 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.69 CC1=CC=C(O)C(F)=N1 N386 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.69 CC1=CC=C(O)C(N)=N1 W4287 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.69 CC1=CC=C(O)C=C1I Z0737 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.69 CC1=NC(F)=CC=C1O Y3898 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.69 CC1=NC(I)=CC=C1Br 0279AA [0,1,0,1,0,0|2,0,0]=4 248 B9R1.69 NC1=C(Br)C=C(O)C=C1 2629AJ [0,1,0,1,0,0|2,0,0]=4 249 B9R1.69 NC1=C(O)C=CC(O)=C1 0619AB [0,1,0,1,0,0|2,0,0]=4 250 B9R1.69 NC1=CC=C(Br)N=C1O 2137AJ [0,1,0,1,0,0|2,0,0]=4 251 B9R1.69 O=C1C=CC(=O)C(Br)=C1 5190AB [0,1,0,1,0,0|2,0,0]=4 252 B9R1.69 O=C1NC(Cl)=CC=C1Br 3079AC [0,1,0,1,0,0|2,0,0]=4 253 B9R1.69 OC1=CC(Br)=C(O)C=C1 8644AB [0,1,0,1,0,0|2,0,0]=4 254 B9R1.69 OC1=CC=C(Cl)C(I)=C1 0406AB [0,1,0,1,0,0|2,0,0]=4 255 B9R1.69 OC1=CC=C(I)C(F)=C1 4424AA [0,1,0,1,0,0|2,0,0]=4 256 B9R1.69 OC1=NC(Br)=C(Br)C=C1 V2516 [0,1,0,1,0,0|2,0,0]=4