0 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 3157AL [0,0,0,0,0,0|2,0,1]=3 1 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [0,0,0,0,0,0|3,0,0]=3 3 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 COC(=O)CCC1=CN=CN=C1 X7986 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 X7985 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.27 NCC(=O)NCC1=CC=CN=C1 2265AD [0,0,0,0,0,0|4,0,0]=4 7 B12R1.27 NCC(=O)NCC1=CC=NC=C1 1843AD [0,0,0,0,0,0|4,0,0]=4 8 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [0,0,0,0,0,0|4,0,0]=4 9 B12R1.27 NNC(=O)CCC1=CN=CC=C1 9437AJ [0,0,0,0,0,0|3,0,0]=3 10 B12R1.27 NNC(=S)NCC1=CC=CC=C1 3861AD [0,0,0,0,0,0|3,1,0]=4 11 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 7817AD [0,0,0,0,0,0|4,0,0]=4 12 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [0,0,0,0,0,0|4,0,0]=4 13 B11R1.28 CCOCCC1=NC=CC=C1 Y8563 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [1,0,0,0,0,0|1,0,1]=3 15 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 S=C=NCCC1=CC=CC=C1 J70186 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 CC(Cl)COC1=CC=CC=C1 4945AL [1,0,0,0,0,0|2,0,1]=4 23 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [1,0,0,0,0,0|2,0,0]=3 25 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [1,0,0,0,0,0|3,0,0]=4 26 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [1,0,0,0,0,0|2,0,0]=3 27 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [1,0,0,0,0,0|3,0,0]=4 29 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 E582 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [1,0,0,0,0,0|1,0,2]=4 31 B11R1.91 O=C(O)C#CC1=NC=CC=C1 5629AJ [1,0,0,0,0,0|1,0,2]=4 32 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [1,0,0,0,0,0|2,0,0]=3 33 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [1,0,0,0,0,0|2,0,0]=3 34 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [1,0,0,0,0,0|2,0,0]=3 35 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [1,0,0,0,0,0|0,0,3]=4 36 B13R1.11 CC(NC(=O)CBr)C1=CC=CC=C1 8397AE [0,1,0,0,0,0|3,0,0]=4 37 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 7288AJ [0,1,0,0,0,0|1,0,1]=3 38 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 X5332 [0,1,0,0,0,0|0,0,1]=2 39 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 2814AC [0,1,0,0,0,0|1,0,1]=3 40 B13R1.11 COC(=O)CC(N)C1=CC=CN=C1 Z9456 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 Z4025 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 B603 [0,1,0,0,0,0|0,0,0]=1 43 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 8453AE [0,1,0,0,0,0|1,0,0]=2 44 B13R1.14 CNC(=O)COC1=CC=C(Br)C=C1 3881AC [0,1,0,0,0,0|2,0,0]=3 45 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 V4964 [0,1,0,0,0,0|0,0,0]=1 46 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 8383AE [0,1,0,0,0,0|1,0,0]=2 47 B13R1.14 COC(=O)COC1=NC=C(Br)C=C1 6929AJ [0,1,0,0,0,0|2,0,0]=3 48 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 Y9740 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.14 NNC(=O)CNC1=CC=C(Cl)C=C1 8021AD [0,1,0,0,0,0|3,0,0]=4 50 B13R1.14 NNC(=O)CNC1=CC=C(F)C=C1 8527AE [0,1,0,0,0,0|3,0,0]=4 51 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 9203AE [0,1,0,0,0,0|3,0,0]=4 52 B13R1.15 CCC(=O)NCC1=CC(Br)=CC=C1 3634AL [0,1,0,0,0,0|2,0,0]=3 53 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 0845AD [0,1,0,0,0,0|1,0,0]=2 54 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 3534AL [0,1,0,0,0,0|0,0,0]=1 55 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 7145AJ [0,1,0,0,0,0|0,0,2]=3 56 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 3024AC [0,1,0,0,0,0|2,0,1]=4 57 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [0,1,0,0,0,0|0,0,1]=2 58 B13R1.42 CCOC(=O)C#CC1=CC=NC=C1 6717AJ [0,1,0,0,0,0|1,0,2]=4 59 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 6710AJ [0,1,0,0,0,0|1,0,2]=4 60 B13R1.42 CCOC(=O)C#CC1=NC=CC=C1 6707AJ [0,1,0,0,0,0|1,0,2]=4 61 B13R1.42 CCOC(=O)CCC1=CC=CC=N1 2599AB [0,1,0,0,0,0|1,0,0]=2 62 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 8454AE [0,1,0,0,0,0|1,0,2]=4 63 B13R1.42 CNCC(=O)NCC1=CC=CC=N1 2287AD [0,1,0,0,0,0|3,0,0]=4 64 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 2387AD [0,1,0,0,0,0|3,0,0]=4 65 B13R1.42 CNCC(=O)NCC1=CC=NC=C1 1555AD [0,1,0,0,0,0|3,0,0]=4 66 B13R1.42 NCCC(=O)NCC1=CC=NC=C1 1483AD [0,1,0,0,0,0|3,0,0]=4 67 B13R1.42 NCCC(=O)NCC1=CN=CC=C1 1010AD [0,1,0,0,0,0|3,0,0]=4 68 B13R1.42 NCCC(=O)NCC1=NC=CC=C1 2266AD [0,1,0,0,0,0|3,0,0]=4 69 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 3146AL [0,1,0,0,0,0|2,0,0]=3 70 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC A535 [0,1,0,0,0,0|0,0,1]=2 71 B13R1.135 CC(OC1=CC=CC=C1)C(=O)NN 4839AE [0,1,0,0,0,0|3,0,0]=4 72 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN 1604AD [0,1,0,0,0,0|3,0,0]=4 73 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 2851AD [0,1,0,0,0,0|1,0,0]=2 74 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=N1 8305AA [0,1,0,0,0,0|1,0,0]=2 75 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl V6404 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.351 CC(N)C(=O)NCC1=CC=CN=C1 2858AD [0,1,0,0,0,0|3,0,0]=4 77 B13R1.351 CC(N)C(=O)NCC1=CC=NC=C1 2904AD [0,1,0,0,0,0|3,0,0]=4 78 B13R1.351 CC(N)C(=O)NCC1=NC=CC=C1 2936AD [0,1,0,0,0,0|3,0,0]=4 79 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl 8202AD [0,1,0,0,0,0|3,0,0]=4 80 B13R1.528 CNC(=O)CCC1=CC=CC=C1N 7472AC [0,1,0,0,0,0|1,0,0]=2 81 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 8474AA [0,1,0,0,0,0|0,0,2]=3 82 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Cl 4332AH [0,1,0,0,0,0|0,0,2]=3 83 B13R1.528 COC(=O)\C=C\C1=CN=CC=C1Cl 2679AD [0,1,0,0,0,0|1,0,2]=4 84 B13R1.528 NNC(=O)CNC1=C(Cl)C=CC=C1 8020AD [0,1,0,0,0,0|3,0,0]=4 85 B13R1.528 O=C(CCl)NCC1=C(Cl)C=CC=C1 8427AE [0,1,0,0,0,0|3,0,0]=4 86 B13R1.528 O=C(CCl)NCC1=C(F)C=CC=C1 2353AF [0,1,0,0,0,0|3,0,0]=4 87 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 2385AJ [0,0,0,1,0,0|1,0,2]=4 88 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 2386AJ [0,0,0,1,0,0|1,0,0]=2 89 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 4216AL [0,0,0,1,0,0|1,0,0]=2 90 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 9678AA [0,0,0,1,0,0|1,2,0]=4 91 B13R2.33 O=C1COC2=C(C=CC=C2)CN1 4246AB [0,0,0,1,0,0|2,0,0]=3 92 B13R2.57 CNC1CCC2=CC=CC=C2C1 1367AB [0,0,0,1,0,0|2,0,1]=4 93 B11R1.25 COC(=O)CCC1=CC=CS1 8609AA [0,0,0,0,1,0|1,0,0]=2 94 B11R1.25 COC(=O)CCC1=CNC=N1 4241AJ [0,0,0,0,1,0|2,0,0]=3 95 B11R1.40 COC(=O)CC1=CC=NC=C1 7081AJ [0,0,0,0,1,0|1,0,0]=2 96 B11R1.40 NNC(=O)CC1=CC=CC=N1 7900AE [0,0,0,0,1,0|3,0,0]=4 97 B11R1.40 NNC(=O)CC1=CC=CN=C1 9337AJ [0,0,0,0,1,0|3,0,0]=4 98 B11R1.40 NNC(=O)CC1=CC=NC=C1 Y5522 [0,0,0,0,1,0|3,0,0]=4 99 B11R1.40 O=C(CCl)OC1=CC=CC=C1 R105 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.40 O=C(CS)NC1=CC=CC=C1 4177AE [0,0,0,0,1,0|3,0,0]=4 101 B13R1.718 COC(=O)CCNC1=CC=CC=C1 W4523 [0,0,0,0,0,1|0,0,0]=1 102 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 1163AL [0,0,0,0,0,1|0,0,1]=2 103 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 5861AA [0,0,0,0,0,1|2,0,0]=3 104 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [1,0,1,0,0,0|1,0,1]=4 105 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [2,0,0,0,0,0|1,0,1]=4 106 B10R1.17 CCCCC1=NC=CC=C1 S413 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.17 CNCCC1=CC=NC=C1 5552AE [2,0,0,0,0,0|2,0,0]=4 108 B10R1.17 CNCCC1=CC=NC=C1 5553AE [2,0,0,0,0,0|2,0,0]=4 109 B10R1.17 CNCCC1=CC=NC=C1 X8552 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [2,0,0,0,0,0|1,0,0]=3 111 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [2,0,0,0,0,0|2,0,0]=4 112 B10R1.17 OCCSC1=CC=CC=C1 K990 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [2,0,0,0,0,0|1,0,1]=4 114 B12R1.8 CC#CCNCC1=CC=CC=C1 4019AE [1,1,0,0,0,0|1,0,1]=4 115 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [1,1,0,0,0,0|1,0,1]=4 116 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [1,1,0,0,0,0|1,0,1]=4 117 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [1,1,0,0,0,0|2,0,0]=4 118 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [1,1,0,0,0,0|2,0,0]=4 119 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [1,1,0,0,0,0|1,0,1]=4 120 B12R1.267 COCOCC1=C(Br)C=CC=C1 6088AC [1,1,0,0,0,0|1,0,1]=4 121 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [1,1,0,0,0,0|1,0,1]=4 122 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [1,1,0,0,0,0|0,0,0]=2 123 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [1,1,0,0,0,0|0,0,0]=2 124 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 5859AD [1,1,0,0,0,0|2,0,0]=4 125 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [1,1,0,0,0,0|1,0,0]=3 126 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [1,1,0,0,0,0|0,0,2]=4 127 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [1,1,0,0,0,0|0,0,2]=4 128 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [1,1,0,0,0,0|1,0,0]=3 129 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [1,1,0,0,0,0|1,0,0]=3 130 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [1,1,0,0,0,0|0,0,2]=4 131 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 W4673 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 8075AF [1,1,0,0,0,0|1,0,0]=3 133 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [1,1,0,0,0,0|0,0,2]=4 134 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [1,1,0,0,0,0|0,0,2]=4 135 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 O075 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 8063AF [1,1,0,0,0,0|1,0,0]=3 137 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [1,1,0,0,0,0|1,0,0]=3 138 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [1,1,0,0,0,0|1,0,0]=3 139 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 5101AH [1,1,0,0,0,0|2,0,0]=4 140 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [1,1,0,0,0,0|2,0,0]=4 141 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [1,1,0,0,0,0|1,0,0]=3 143 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [1,1,0,0,0,0|1,0,0]=3 144 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O X2941 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [1,1,0,0,0,0|1,0,1]=4 146 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 4393AH [1,1,0,0,0,0|1,0,0]=3 147 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [1,1,0,0,0,0|0,0,0]=2 148 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [1,1,0,0,0,0|1,0,1]=4 149 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 3138AF [1,1,0,0,0,0|1,0,0]=3 152 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 0890AC [1,1,0,0,0,0|2,0,0]=4 153 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [1,1,0,0,0,0|2,0,0]=4 154 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [1,1,0,0,0,0|0,0,2]=4 155 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [1,1,0,0,0,0|0,0,0]=2 156 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1F V4347 [1,1,0,0,0,0|0,0,2]=4 157 B12R1.125 CC1=C(OCC(=O)Cl)C=CC=C1 4865AD [1,1,0,0,0,0|2,0,0]=4 158 B12R1.125 CN(C)CCC1=CC=CC=C1N Y5394 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [1,1,0,0,0,0|1,0,0]=3 160 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [1,1,0,0,0,0|1,0,0]=3 161 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 5549AB [1,1,0,0,0,0|1,0,0]=3 162 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 8114AC [1,1,0,0,0,0|2,0,0]=4 163 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [1,1,0,0,0,0|0,0,0]=2 164 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 Z3568 [1,1,0,0,0,0|0,0,2]=4 165 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [1,1,0,0,0,0|1,0,0]=3 166 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [1,1,0,0,0,0|0,0,2]=4 167 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [1,1,0,0,0,0|0,0,0]=2 168 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [1,1,0,0,0,0|0,0,2]=4 169 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Y6084 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.26 COC(=O)CCN1C=C(Br)C=N1 7251AC [0,1,0,0,1,0|2,0,0]=4 171 B12R1.51 CCOC(=O)CCC1=CSC=C1 6952AC [0,1,0,0,1,0|1,0,0]=3 172 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 3740AF [0,1,0,0,1,0|1,0,0]=3 173 B12R1.34 COC(=O)C(N)C1=CC=CC=N1 7750AA [0,1,0,0,1,0|1,0,0]=3 174 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 6943AJ [0,1,0,0,1,0|1,0,0]=3 175 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 5933AE [0,1,0,0,1,0|2,0,0]=4 176 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 0275AE [0,1,0,0,1,0|1,0,0]=3 177 B12R1.49 COC(=O)NC1=NC=C(Br)C=C1 V4263 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 E021 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 7324AD [0,1,0,0,1,0|2,0,0]=4 180 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 S268 [0,1,0,0,1,0|2,0,0]=4 181 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 Y7716 [0,1,0,0,1,0|1,0,0]=3 182 B12R1.50 COC(=O)NC1=NC=CC(Cl)=C1 V8751 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,1,0,0,1,0|1,0,1]=4 184 B12R1.371 CCC(=O)NC1=CC=CC=C1O 8315AE [0,1,0,0,1,0|2,0,0]=4 185 B12R1.371 COC(=O)CC1=CC=CC=C1N 4195AJ [0,1,0,0,1,0|0,0,0]=2 186 B14R1.13 COC(=O)CCCC1=CC=C(Br)C=C1 4263AJ [0,1,0,0,0,1|0,0,0]=2 187 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 7002AJ [0,1,0,0,0,1|0,0,0]=2 188 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 2152AE [0,1,0,0,0,1|2,0,0]=4 189 B14R1.163 CNC(=O)CNC(=O)C1=CC=CC=C1 2066AB [0,1,0,0,0,1|1,0,1]=4 190 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 9674AB [0,1,0,0,0,1|0,0,0]=2 191 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 5629AE [0,1,0,0,0,1|0,0,1]=3 192 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 0974AD [0,1,0,0,0,1|0,0,1]=3 193 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 4782AE [0,1,0,0,0,1|1,0,1]=4 194 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 4198AF [0,1,0,0,0,1|0,0,0]=2 195 B14R1.6449 C=C(C)C(=O)OCCC1=CC=CC=C1 5984AF [0,1,0,0,0,1|1,0,0]=3 196 B14R1.10 COC(=O)CC(=O)C1=CC=C(O)C=C1 6541AL [0,2,0,0,0,0|0,0,1]=3 197 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 2970AD [0,2,0,0,0,0|0,0,0]=2 198 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 Z2162 [0,2,0,0,0,0|0,0,0]=2 199 B14R1.11 COC(=O)CC(=O)C1=CC(Br)=CC=C1 5157AH [0,2,0,0,0,0|0,0,1]=3 200 B14R1.11 COC(=O)CC(=O)C1=CN=CC(Br)=C1 C277 [0,2,0,0,0,0|1,0,1]=4 201 B14R1.11 COC(=O)CC(N)C1=CC=CC(O)=C1 7008AJ [0,2,0,0,0,0|0,0,0]=2 202 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 9645AB [0,2,0,0,0,0|0,0,0]=2 203 B14R1.29 CCOC(=O)CC(N)C1=CC=CN=C1 6726AJ [0,2,0,0,0,0|1,0,0]=3 204 B14R1.29 CCOC(=O)CS(=O)C1=CC=CC=C1 8807AL [0,2,0,0,0,0|1,0,0]=3 205 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 3269AB [0,2,0,0,0,0|0,0,0]=2 206 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 3270AB [0,2,0,0,0,0|0,0,0]=2 207 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CN=C1 3312AL [0,2,0,0,0,0|1,0,0]=3 208 B14R1.587 COC(=O)CC(=O)C1=C(F)C=CC=C1 8814AB [0,2,0,0,0,0|0,0,1]=3 209 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 1739AC [0,2,0,0,0,0|0,0,0]=2 210 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 6850AJ [0,2,0,0,0,0|0,0,0]=2 211 B14R1.502 CC1=CC=C(CNC(=O)CCCl)C=C1 8266AC [0,2,0,0,0,0|2,0,0]=4 212 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 9531AF [0,2,0,0,0,0|0,0,2]=4 213 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 1128AL [0,2,0,0,0,0|0,0,2]=4 214 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 1044AC [0,2,0,0,0,0|0,0,0]=2 215 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 3633AH [0,2,0,0,0,0|1,0,0]=3 216 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 5401AC [0,2,0,0,0,0|1,0,1]=4 217 B14R1.679 CN(C)C(=O)CCC1=CC=C(N)C=C1 7465AC [0,2,0,0,0,0|1,0,0]=3 218 B14R1.727 COC(=O)\C=C\C1=CC=C(F)C=C1F 8499AA [0,2,0,0,0,0|0,0,2]=4 219 B14R1.833 COC(=O)\C=C\C1=CC(Cl)=C(Cl)C=C1 7102AD [0,2,0,0,0,0|0,0,2]=4 220 B14R1.833 NNC(=O)CCC1=CC=C(O)C(O)=C1 2623AE [0,2,0,0,0,0|2,0,0]=4 221 B14R1.32 CCOC(=O)CCC1=CC=CC(Br)=C1 5520AB [0,2,0,0,0,0|0,0,0]=2 222 B14R1.32 CCOC(=O)CCC1=CC=CC(C)=C1 3642AH [0,2,0,0,0,0|0,0,0]=2 223 B14R1.32 CCOC(=O)COC1=CC=CC(I)=C1 2843AF [0,2,0,0,0,0|1,0,0]=3 224 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(F)=C1 1269AE [0,2,0,0,0,0|0,0,2]=4 225 B14R1.32 O=C(CCCl)NCC1=CC(Cl)=CC=C1 7720AC [0,2,0,0,0,0|2,0,0]=4 226 B14R1.77 COC(=O)COC1=CC=CC(C=O)=C1 4827AB [0,2,0,0,0,0|1,0,0]=3 227 B14R1.135 COC(=O)[C@H](N)CC1=CC(F)=CC=C1 V4168 [0,2,0,0,0,0|0,0,0]=2 228 B14R1.820 COC(=O)CCC1=CC(F)=CC=C1Br 5065AA [0,2,0,0,0,0|0,0,0]=2 229 B14R1.60 CCNC(=O)C(N)CC1=CC=CC=C1 3092AD [0,2,0,0,0,0|1,0,0]=3 230 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=N1 4032AJ [0,2,0,0,0,0|1,0,0]=3 231 B14R1.60 CCOC(=O)C(N)CC1=NC=CC=C1 0821AA [0,2,0,0,0,0|1,0,0]=3 232 B14R1.60 CN(CC1=CC=CC=C1)C(=O)CCCl 0434AE [0,2,0,0,0,0|2,0,0]=4 233 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 3559AA [0,2,0,0,0,0|2,0,0]=4 234 B14R1.156 O=C(NCCI)OCC1=CC=CC=C1 0550AC [0,2,0,0,0,0|2,0,0]=4 235 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Cl 3216AB [0,2,0,0,0,0|0,0,0]=2 236 B14R1.425 CC(N)C(=O)N(C)CC1=CC=CC=C1 2886AD [0,2,0,0,0,0|2,0,0]=4 237 B14R1.425 CN(C)C(=O)C(N)CC1=CC=CC=C1 9965AC [0,2,0,0,0,0|1,0,0]=3 238 B14R1.1031 CNC(CC1=CC=CC=C1)C(=O)OC 7561AH [0,2,0,0,0,0|0,0,0]=2 239 B14R1.1031 COC(=O)\C(=C\C1=CC=CC=C1)CBr 5027AE [0,2,0,0,0,0|0,0,2]=4 240 B14R1.1031 COC(=O)\C(C#N)=C\C1=CC=CC=C1 4703AB [0,2,0,0,0,0|0,0,2]=4 241 B14R1.161 CN(C)C(=O)CCC1=CC=CC=C1N 7471AC [0,2,0,0,0,0|1,0,0]=3 242 B14R1.3099 CC(C)(C)C(=O)CCC1=CN=CC=C1 6026AJ [0,2,0,0,0,0|2,0,0]=4 243 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 0294AQ [0,2,0,0,0,0|2,0,0]=4 244 B12R2.1 CNC1CCC2=C1C=CC=C2 4152AJ [1,0,0,1,0,0|1,0,1]=4 245 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [1,0,0,1,0,0|1,0,1]=4 246 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [1,0,0,1,0,0|1,0,1]=4 247 B12R2.2 C1=CC=C(C2CCNC2)C=C1 0848AF [1,0,0,1,0,0|1,0,1]=4 248 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 W8786 [1,0,0,1,0,0|1,0,1]=4 249 B12R2.41 C1=CC2=C(C=C1)NCCOC2 9588AH [1,0,0,1,0,0|1,0,1]=4 250 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 P609 [1,0,0,1,0,0|1,0,1]=4 251 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [1,0,0,1,0,0|1,0,0]=3 252 B12R2.24 CN1CCC2=C(C=CC=C2)C1 8158AA [1,0,0,1,0,0|2,0,0]=4 253 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [1,0,0,1,0,0|1,0,1]=4 254 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 1181AL [1,0,0,1,0,0|1,0,1]=4 255 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 1283AL [1,0,0,1,0,0|1,0,1]=4 256 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [1,0,0,1,0,0|1,0,0]=3 257 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 5286AB [1,0,0,1,0,0|2,0,0]=4 258 B12R2.24 O=C1CNC2=C(C=CC=C2)O1 A392 [1,0,0,1,0,0|1,0,0]=3 259 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [1,0,0,1,0,0|1,0,0]=3 260 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [1,0,0,1,0,0|2,0,0]=4 261 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [0,0,0,1,1,0|2,0,0]=4 262 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [0,0,0,1,1,0|2,0,0]=4 263 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 9516AD [0,0,0,1,0,1|1,0,0]=3 264 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 2634AL [0,0,0,1,0,1|0,0,0]=2 265 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 5959AD [0,0,0,1,0,1|2,0,0]=4 266 B14R2.19 O=C1CN(CC2=CC=CC=C2)CN1 X5131 [0,0,0,1,0,1|1,0,0]=3 267 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 7199AA [0,0,0,1,0,1|0,1,0]=3 268 B14R2.68 O=C1CC=C(C2=CC=CC=C2)CC1 V6312 [0,0,0,1,0,1|1,0,1]=4 269 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 7325AC [0,0,0,1,0,1|2,0,0]=4 270 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 2478AE [0,0,0,1,0,1|1,0,0]=3 271 B14R2.95 COC(=O)C1=CSC2=CC=CC=C21 Z3262 [0,0,0,1,0,1|0,0,2]=4 272 B14R2.95 COC(=O)C1CCC2=CC=CC=C21 2360AB [0,0,0,1,0,1|0,0,0]=2 273 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 3108AA [0,0,0,1,0,1|0,0,0]=2 274 B14R2.95 COC(=O)C1CNC2=CC=CC=C21 5260AB [0,0,0,1,0,1|0,0,0]=2 275 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 2297AD [0,0,0,1,0,1|2,0,0]=4 276 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 8962AE [0,0,0,1,0,1|2,0,0]=4 277 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 5526AD [0,0,0,1,0,1|2,0,0]=4 278 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 1834AE [0,0,0,1,0,1|0,0,0]=2 279 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 5704AB [0,1,0,1,0,0|2,0,0]=4 280 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8707AC [0,1,0,1,0,0|2,0,0]=4 281 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8710AC [0,1,0,1,0,0|2,0,0]=4 282 B14R2.21 O=C1CCCN(C2=CC=CC=C2)C1 W3242 [0,1,0,1,0,0|2,0,0]=4 283 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)C1 4282AB [0,1,0,1,0,0|1,0,0]=3 284 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8428AB [0,1,0,1,0,0|1,0,0]=3 285 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8429AB [0,1,0,1,0,0|1,0,0]=3 286 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 W3222 [0,1,0,1,0,0|1,0,0]=3 287 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 6503AD [0,1,0,1,0,0|1,0,0]=3 288 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 8160AC [0,1,0,1,0,0|1,0,0]=3 289 B14R2.20 O=C1CC(C2=CC=C(Cl)C=C2)CN1 8017AH [0,1,0,1,0,0|1,0,0]=3 290 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 2535AL [0,1,0,1,0,0|1,0,0]=3 291 B14R2.20 O=C1CCC(C2=CC=C(Cl)C=C2)N1 2692AB [0,1,0,1,0,0|2,0,0]=4 292 B14R2.22 NC1=CC(C2CNC(=O)C2)=CC=C1 X9311 [0,1,0,1,0,0|1,0,0]=3 293 B14R2.28523 CN1C(=O)COC2=C1C(N)=CC=C2 3765AD [0,1,0,1,0,0|2,0,0]=4 294 B14R2.29369 CN1C(=O)COC2=CC(Br)=CC=C21 Z9035 [0,1,0,1,0,0|2,0,0]=4 295 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 9687AH [0,1,0,1,0,0|2,0,0]=4 296 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [0,1,0,1,0,0|1,0,0]=3 297 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 W5049 [0,1,0,1,0,0|1,0,1]=4 298 B14R2.92 O=CC1=C(Cl)C2=C(C=CC=C2)CC1 Y8729 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [1,0,0,0,1,0|1,0,0]=3 300 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [1,0,0,0,1,0|2,0,0]=4 301 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [1,0,0,0,1,0|1,0,1]=4 302 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,0,0,0,1,0|0,0,2]=4 303 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [1,0,0,0,1,0|2,0,0]=4 304 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [1,0,0,0,1,0|2,0,0]=4 305 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [1,0,0,0,1,0|1,0,0]=3 306 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [1,0,0,0,1,0|1,0,0]=3 307 B10R1.66 CC(=O)CCN1C=CC=N1 2604AF [1,0,0,0,1,0|2,0,0]=4 308 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [1,0,0,0,1,0|1,0,0]=3 309 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [1,0,0,0,1,0|2,0,0]=4 310 B10R1.66 O=C(O)CCN1C=CN=C1 W4087 [1,0,0,0,1,0|2,0,0]=4 311 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [1,0,0,0,1,0|2,0,0]=4 312 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,0,0,0,2,0|2,0,0]=4 313 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [0,0,0,0,2,0|1,0,1]=4 314 B10R1.15 COC(=N)C1=CC=NC=C1 4422AB [0,0,0,0,2,0|2,0,0]=4 315 B10R1.15 COC(=O)C1=CC=NN=C1 W5569 [0,0,0,0,2,0|2,0,0]=4 316 B10R1.15 COC(=O)C1=CN=CN=C1 4090AB [0,0,0,0,2,0|2,0,0]=4 317 B10R1.15 COC(=O)N1C=CC=CC1 3960AB [0,0,0,0,2,0|1,0,1]=4 318 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,0,0,0,2,0|2,0,0]=4 319 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 5678AB [0,0,0,0,0,2|0,0,0]=2