0 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 3157AL [0,0,0,0,0,0|0,0,2]=2 1 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [0,0,0,0,0,0|2,0,0]=2 4 B12R1.27 CCC(O)C#CC1=CC=CC=C1 1009AQ [0,0,0,0,0,0|1,0,3]=4 5 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,0,0,0,0,0|3,0,0]=3 6 B12R1.27 COC(=O)CCC1=CN=CN=C1 X7986 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.27 NCC(=O)NCC1=CC=CN=C1 2265AD [0,0,0,0,0,0|3,0,0]=3 8 B12R1.27 NCC(=O)NCC1=CC=NC=C1 1843AD [0,0,0,0,0,0|3,0,0]=3 9 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [0,0,0,0,0,0|3,0,0]=3 10 B12R1.27 NNC(=O)CCC1=CN=CC=C1 9437AJ [0,0,0,0,0,0|4,0,0]=4 11 B12R1.27 NNC(=S)NCC1=CC=CC=C1 3861AD [0,0,0,0,0,0|3,1,0]=4 12 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 7817AD [0,0,0,0,0,0|3,0,0]=3 13 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [0,0,0,0,0,0|4,0,0]=4 14 B11R1.28 CCOCCC1=NC=CC=C1 Y8563 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [1,0,0,0,0,0|2,0,1]=4 20 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [1,0,0,0,0,0|2,0,0]=3 21 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [1,0,0,0,0,0|3,0,0]=4 24 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [1,0,0,0,0,0|3,0,0]=4 25 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [1,0,0,0,0,0|2,1,0]=4 26 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [1,0,0,0,0,0|3,0,0]=4 27 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [1,0,0,0,0,0|2,0,1]=4 28 B13R1.11 CC(NC(=O)CBr)C1=CC=CC=C1 8397AE [0,1,0,0,0,0|2,0,0]=3 29 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 7288AJ [0,1,0,0,0,0|2,0,1]=4 30 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 X5332 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.11 COC(=O)CC(N)C1=CC=CN=C1 Z9456 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 B603 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.14 CCC(C)NCC1=CC=C(C)C=C1 8083AC [0,1,0,0,0,0|2,0,1]=4 34 B13R1.14 CCC(C)NCC1=CC=C(Cl)C=C1 4015AE [0,1,0,0,0,0|2,0,1]=4 35 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 8453AE [0,1,0,0,0,0|2,0,0]=3 36 B13R1.14 CNC(=O)COC1=CC=C(Br)C=C1 3881AC [0,1,0,0,0,0|3,0,0]=4 37 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 V4964 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 8383AE [0,1,0,0,0,0|3,0,0]=4 39 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 Y9740 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.15 CCC(=O)NCC1=CC(Br)=CC=C1 3634AL [0,1,0,0,0,0|1,0,0]=2 41 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 0845AD [0,1,0,0,0,0|2,0,0]=3 42 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 3534AL [0,1,0,0,0,0|2,0,0]=3 43 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 7145AJ [0,1,0,0,0,0|2,0,1]=4 44 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 3024AC [0,1,0,0,0,0|0,0,2]=3 45 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [0,1,0,0,0,0|1,0,2]=4 46 B13R1.42 CCOC(=O)C#CC1=CC=NC=C1 6717AJ [0,1,0,0,0,0|2,0,1]=4 47 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 6710AJ [0,1,0,0,0,0|2,0,1]=4 48 B13R1.42 CCOC(=O)C#CC1=NC=CC=C1 6707AJ [0,1,0,0,0,0|2,0,1]=4 49 B13R1.42 CCOC(=O)CCC1=CC=CC=N1 2599AB [0,1,0,0,0,0|2,0,0]=3 50 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 8454AE [0,1,0,0,0,0|2,0,1]=4 51 B13R1.42 CNCC(=O)NCC1=CC=CC=N1 2287AD [0,1,0,0,0,0|2,0,0]=3 52 B13R1.42 CNCC(=O)NCC1=CC=CN=C1 2387AD [0,1,0,0,0,0|2,0,0]=3 53 B13R1.42 CNCC(=O)NCC1=CC=NC=C1 1555AD [0,1,0,0,0,0|2,0,0]=3 54 B13R1.42 N#CCC(=O)NCC1=CC=NC=C1 4649AD [0,1,0,0,0,0|2,0,1]=4 55 B13R1.42 N#CCC(=O)NCC1=CN=CC=C1 9107AD [0,1,0,0,0,0|2,0,1]=4 56 B13R1.42 N#CCC(=O)NCC1=NC=CC=C1 0618AF [0,1,0,0,0,0|2,0,1]=4 57 B13R1.42 NCCC(=O)NCC1=CC=NC=C1 1483AD [0,1,0,0,0,0|2,0,0]=3 58 B13R1.42 NCCC(=O)NCC1=CN=CC=C1 1010AD [0,1,0,0,0,0|2,0,0]=3 59 B13R1.42 NCCC(=O)NCC1=NC=CC=C1 2266AD [0,1,0,0,0,0|2,0,0]=3 60 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 3146AL [0,1,0,0,0,0|1,0,0]=2 61 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC A535 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN 1604AD [0,1,0,0,0,0|2,0,0]=3 63 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 2851AD [0,1,0,0,0,0|2,0,0]=3 64 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=N1 8305AA [0,1,0,0,0,0|3,0,0]=4 65 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl V6404 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.254 CC(C)(CO)OCC1=CC=CC=C1 3234AF [0,1,0,0,0,0|2,0,1]=4 67 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,1,0,0,0,0|1,0,2]=4 68 B13R1.351 CC(C)C(C)NCC1=CC=CC=C1 8760AC [0,1,0,0,0,0|2,0,1]=4 69 B13R1.351 CC(N)C(=O)NCC1=CC=CN=C1 2858AD [0,1,0,0,0,0|2,0,0]=3 70 B13R1.351 CC(N)C(=O)NCC1=CC=NC=C1 2904AD [0,1,0,0,0,0|2,0,0]=3 71 B13R1.351 CC(N)C(=O)NCC1=NC=CC=C1 2936AD [0,1,0,0,0,0|2,0,0]=3 72 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl 8202AD [0,1,0,0,0,0|1,0,0]=2 73 B13R1.417 OCC(CO)OCC1=CC=CC=C1 X2084 [0,1,0,0,0,0|1,0,2]=4 74 B13R1.528 CCC(C)NCC1=CC=CC=C1Cl 8111AC [0,1,0,0,0,0|2,0,1]=4 75 B13R1.528 CNC(=O)CCC1=CC=CC=C1N 7472AC [0,1,0,0,0,0|2,0,0]=3 76 B13R1.528 COC(=O)\C=C\C1=C(N)C=CC=C1 8474AA [0,1,0,0,0,0|2,0,1]=4 77 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Cl 4332AH [0,1,0,0,0,0|2,0,1]=4 78 B13R1.528 O=C(CCl)NCC1=C(Cl)C=CC=C1 8427AE [0,1,0,0,0,0|2,0,0]=3 79 B13R1.528 O=C(CCl)NCC1=C(F)C=CC=C1 2353AF [0,1,0,0,0,0|2,0,0]=3 80 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 2385AJ [0,0,0,1,0,0|1,0,1]=3 81 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 2386AJ [0,0,0,1,0,0|1,0,0]=2 82 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 4216AL [0,0,0,1,0,0|1,0,0]=2 83 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 9678AA [0,0,0,1,0,0|2,1,0]=4 84 B13R2.33 O=C1COC2=C(C=CC=C2)CN1 4246AB [0,0,0,1,0,0|2,0,0]=3 85 B11R1.25 COC(=O)CCC1=CC=CS1 8609AA [0,0,0,0,1,0|3,0,0]=4 86 B11R1.25 NCC(=O)NCC1=CC=CO1 0043AD [0,0,0,0,1,0|3,0,0]=4 87 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [0,0,0,0,1,0|2,0,1]=4 88 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [0,0,0,0,1,0|2,0,1]=4 89 B11R1.40 COC(=O)CC1=CC=NC=C1 7081AJ [0,0,0,0,1,0|2,0,0]=3 90 B11R1.40 NNC(=O)CC1=CC=CC=N1 7900AE [0,0,0,0,1,0|3,0,0]=4 91 B11R1.40 NNC(=O)CC1=CC=CN=C1 9337AJ [0,0,0,0,1,0|3,0,0]=4 92 B11R1.40 NNC(=O)CC1=CC=NC=C1 Y5522 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.40 O=C(CCl)NC1=CC=CN=C1 2248AC [0,0,0,0,1,0|3,0,0]=4 94 B11R1.40 O=C(CCl)NC1=CC=NC=C1 2552AC [0,0,0,0,1,0|3,0,0]=4 95 B11R1.40 O=C(CCl)OC1=CC=CC=C1 R105 [0,0,0,0,1,0|1,0,0]=2 96 B11R1.40 O=C(CS)NC1=CC=CC=C1 4177AE [0,0,0,0,1,0|2,0,0]=3 97 B13R1.718 CC(CBr)COCC1=CC=CC=C1 5257AC [0,0,0,0,0,1|2,0,1]=4 98 B13R1.718 COC(=O)CCNC1=CC=CC=C1 W4523 [0,0,0,0,0,1|2,0,0]=3 99 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 1163AL [0,0,0,0,0,1|2,0,0]=3 100 B13R1.718 NCC(O)COCC1=CC=CC=C1 2756AF [0,0,0,0,0,1|1,0,2]=4 101 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 Z5925 [0,0,0,0,0,1|2,0,1]=4 102 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 5861AA [0,0,0,0,0,1|2,0,0]=3 103 B13R1.718 OC(CBr)COCC1=CC=CC=C1 4774AL [0,0,0,0,0,1|1,0,2]=4 104 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 J11104 [0,0,0,0,0,1|1,0,2]=4 105 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [1,0,1,0,0,0|1,0,1]=4 106 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.17 CCCCC1=NC=CC=C1 S413 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [2,0,0,0,0,0|2,0,0]=4 110 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [2,0,0,0,0,0|2,0,0]=4 111 B12R1.1 N(CCC)CC1=CC=C(Cl)C=C1 5502AE [1,1,0,0,0,0|1,0,1]=4 112 B12R1.1 OCCOCC1=CC=C(Cl)C=C1 0828AD [1,1,0,0,0,0|1,0,1]=4 113 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [1,1,0,0,0,0|1,0,1]=4 114 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [1,1,0,0,0,0|1,0,1]=4 115 B12R1.8 O=CCCOCC1=CC=CC=C1 Y8137 [1,1,0,0,0,0|0,0,2]=4 116 B12R1.28 CCCNCC1=CC=CC(F)=C1 V8909 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [1,1,0,0,0,0|1,0,1]=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 CC(=O)CCC1=CC=C(C)C=C1 2186AC [1,1,0,0,0,0|1,0,0]=3 122 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [1,1,0,0,0,0|1,0,0]=3 123 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 5859AD [1,1,0,0,0,0|2,0,0]=4 124 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [1,1,0,0,0,0|1,0,0]=3 125 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [1,1,0,0,0,0|1,0,1]=4 126 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [1,1,0,0,0,0|1,0,1]=4 129 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [1,1,0,0,0,0|1,0,0]=3 130 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1F V4347 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [1,1,0,0,0,0|1,0,0]=3 132 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [1,1,0,0,0,0|2,0,0]=4 133 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [1,1,0,0,0,0|2,0,0]=4 134 B12R1.51 CCOC(=O)CCC1=CSC=C1 6952AC [0,1,0,0,1,0|2,0,0]=4 135 B12R1.51 NCCC(=O)NCC1=CC=CO1 2260AD [0,1,0,0,1,0|2,0,0]=4 136 B12R1.51 O=C(CCCl)NCC1=CC=CO1 7254AE [0,1,0,0,1,0|2,0,0]=4 137 B12R1.264 CC(N)C(=O)NCC1=CC=CO1 2813AD [0,1,0,0,1,0|2,0,0]=4 138 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 2957AB [0,1,0,0,1,0|2,0,0]=4 139 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 3740AF [0,1,0,0,1,0|1,0,0]=3 140 B12R1.34 COC(=O)C(N)C1=CC=CC=N1 7750AA [0,1,0,0,1,0|2,0,0]=4 141 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 6943AJ [0,1,0,0,1,0|2,0,0]=4 142 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 5933AE [0,1,0,0,1,0|2,0,0]=4 143 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 5090AE [0,1,0,0,1,0|2,0,0]=4 144 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 5390AE [0,1,0,0,1,0|2,0,0]=4 145 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 0275AE [0,1,0,0,1,0|1,0,0]=3 146 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 E021 [0,1,0,0,1,0|2,0,0]=4 147 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 8505AD [0,1,0,0,1,0|2,0,0]=4 148 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 8448AE [0,1,0,0,1,0|2,0,0]=4 149 B12R1.50 CC1=CC=CC(NC(=O)CN)=C1 1548AD [0,1,0,0,1,0|2,0,0]=4 150 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 7324AD [0,1,0,0,1,0|1,0,0]=3 151 B12R1.50 CCC(C)OC1=CC(N)=CC=C1 7479AE [0,1,0,0,1,0|1,0,1]=4 152 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 S268 [0,1,0,0,1,0|1,0,0]=3 153 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 Y7716 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.50 O=C(CBr)NC1=CC(F)=CC=C1 1405AC [0,1,0,0,1,0|2,0,0]=4 155 B12R1.50 O=C(CBr)NC1=CC=CC(Cl)=C1 3025AE [0,1,0,0,1,0|2,0,0]=4 156 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 7569AB [0,1,0,0,1,0|2,0,0]=4 157 B12R1.371 CC1=CC=CC=C1NC(=O)CN 8084AC [0,1,0,0,1,0|2,0,0]=4 158 B12R1.371 CCC(=O)NC1=CC=CC=C1O 8315AE [0,1,0,0,1,0|1,0,0]=3 159 B12R1.371 COC(=O)CC1=CC=CC=C1N 4195AJ [0,1,0,0,1,0|1,0,0]=3 160 B14R1.13 COC(=O)CCCC1=CC=C(Br)C=C1 4263AJ [0,1,0,0,0,1|2,0,0]=4 161 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 7002AJ [0,1,0,0,0,1|2,0,0]=4 162 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 2152AE [0,1,0,0,0,1|2,0,0]=4 163 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 9674AB [0,1,0,0,0,1|1,0,0]=3 164 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 5629AE [0,1,0,0,0,1|1,0,0]=3 165 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 0974AD [0,1,0,0,0,1|1,0,0]=3 166 B14R1.520 CNCC(O)COCC1=CC=CC=C1 5980AE [0,1,0,0,0,1|0,0,2]=4 167 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 4782AE [0,1,0,0,0,1|1,0,1]=4 168 B14R1.756 COC(=O)[C@@H](C)NCC1=CC=CC=C1 4198AF [0,1,0,0,0,1|2,0,0]=4 169 B14R1.6449 C=C(C)C(=O)OCCC1=CC=CC=C1 5984AF [0,1,0,0,0,1|0,0,1]=3 170 B14R1.10 COC(=O)CC(N)C1=CC=C(Cl)C=C1 2970AD [0,2,0,0,0,0|2,0,0]=4 171 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 Z2162 [0,2,0,0,0,0|2,0,0]=4 172 B14R1.11 COC(=O)CC(N)C1=CC=CC(O)=C1 7008AJ [0,2,0,0,0,0|2,0,0]=4 173 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 9645AB [0,2,0,0,0,0|1,0,0]=3 174 B14R1.29 CCOC(=O)CC(N)C1=CC=CN=C1 6726AJ [0,2,0,0,0,0|2,0,0]=4 175 B14R1.29 CCOC(=O)CS(=O)C1=CC=CC=C1 8807AL [0,2,0,0,0,0|2,0,0]=4 176 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 3269AB [0,2,0,0,0,0|1,0,0]=3 177 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 3270AB [0,2,0,0,0,0|1,0,0]=3 178 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CN=C1 3312AL [0,2,0,0,0,0|2,0,0]=4 179 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 1739AC [0,2,0,0,0,0|2,0,0]=4 180 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 6850AJ [0,2,0,0,0,0|2,0,0]=4 181 B14R1.502 CC1=CC=C(CNC(=O)CCCl)C=C1 8266AC [0,2,0,0,0,0|1,0,0]=3 182 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 9531AF [0,2,0,0,0,0|1,0,1]=4 183 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 1128AL [0,2,0,0,0,0|1,0,1]=4 184 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 1044AC [0,2,0,0,0,0|1,0,0]=3 185 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 3633AH [0,2,0,0,0,0|2,0,0]=4 186 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 5401AC [0,2,0,0,0,0|2,0,0]=4 187 B14R1.502 N#CCC(=O)NCC1=CC=C(F)C=C1 5447AD [0,2,0,0,0,0|1,0,1]=4 188 B14R1.679 CN(C)C(=O)CCC1=CC=C(N)C=C1 7465AC [0,2,0,0,0,0|2,0,0]=4 189 B14R1.32 CCOC(=O)CCC1=CC=CC(Br)=C1 5520AB [0,2,0,0,0,0|1,0,0]=3 190 B14R1.32 CCOC(=O)CCC1=CC=CC(C)=C1 3642AH [0,2,0,0,0,0|1,0,0]=3 191 B14R1.32 CCOC(=O)COC1=CC=CC(I)=C1 2843AF [0,2,0,0,0,0|2,0,0]=4 192 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(F)=C1 1269AE [0,2,0,0,0,0|1,0,1]=4 193 B14R1.32 O=C(CCCl)NCC1=CC(Cl)=CC=C1 7720AC [0,2,0,0,0,0|1,0,0]=3 194 B14R1.77 COC1=CC(CNC(=O)CCl)=CC=C1 2533AE [0,2,0,0,0,0|2,0,0]=4 195 B14R1.135 COC(=O)[C@H](N)CC1=CC(F)=CC=C1 V4168 [0,2,0,0,0,0|2,0,0]=4 196 B14R1.820 COC(=O)CCC1=CC(F)=CC=C1Br 5065AA [0,2,0,0,0,0|2,0,0]=4 197 B14R1.60 CCNC(=O)C(N)CC1=CC=CC=C1 3092AD [0,2,0,0,0,0|1,0,0]=3 198 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=N1 4032AJ [0,2,0,0,0,0|2,0,0]=4 199 B14R1.60 CCOC(=O)C(N)CC1=NC=CC=C1 0821AA [0,2,0,0,0,0|2,0,0]=4 200 B14R1.60 CN(CC1=CC=CC=C1)C(=O)CCCl 0434AE [0,2,0,0,0,0|1,0,0]=3 201 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 3559AA [0,2,0,0,0,0|0,0,1]=3 202 B14R1.156 O=C(NCCI)OCC1=CC=CC=C1 0550AC [0,2,0,0,0,0|0,0,0]=2 203 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Cl 3216AB [0,2,0,0,0,0|1,0,0]=3 204 B14R1.818 CC(C)CC(=O)\C=C\C1=CC=CC=C1 8084AL [0,2,0,0,0,0|1,0,1]=4 205 B14R1.425 CC(N)C(=O)N(C)CC1=CC=CC=C1 2886AD [0,2,0,0,0,0|1,0,0]=3 206 B14R1.425 CN(C)C(=O)C(N)CC1=CC=CC=C1 9965AC [0,2,0,0,0,0|2,0,0]=4 207 B14R1.1031 CNC(CC1=CC=CC=C1)C(=O)OC 7561AH [0,2,0,0,0,0|2,0,0]=4 208 B14R1.161 CN(C)C(=O)CCC1=CC=CC=C1N 7471AC [0,2,0,0,0,0|2,0,0]=4 209 B14R1.3099 CC(C)(C)C(=O)CCC1=CN=CC=C1 6026AJ [0,2,0,0,0,0|2,0,0]=4 210 B14R1.3099 CC(C)(N)C(=O)NCC1=CC=CN=C1 1640AD [0,2,0,0,0,0|2,0,0]=4 211 B14R1.3099 CC(C)(N)C(=O)NCC1=CC=NC=C1 2268AD [0,2,0,0,0,0|2,0,0]=4 212 B14R1.3099 CC(C)(N)C(=O)NCC1=NC=CC=C1 2267AD [0,2,0,0,0,0|2,0,0]=4 213 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 0294AQ [0,2,0,0,0,0|0,0,0]=2 214 B14R1.3099 N=C(OCC1=CC=CC=C1)C(Cl)(Cl)Cl 0129AF [0,2,0,0,0,0|2,0,0]=4 215 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [1,0,0,1,0,0|1,0,1]=4 216 B12R2.2 C1=CC=C(C2CCNC2)C=C1 0848AF [1,0,0,1,0,0|2,0,0]=4 217 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [1,0,0,1,0,0|1,0,1]=4 218 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 W8786 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [1,0,0,1,0,0|1,0,1]=4 220 B12R2.41 C1=CC2=C(C=C1)NCCOC2 9588AH [1,0,0,1,0,0|1,0,1]=4 221 B12R2.1081 CC1CNCC2=C1C=CC=C2 1997AA [1,0,0,1,0,0|1,0,1]=4 222 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z3889 [1,0,0,1,0,0|1,0,1]=4 223 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [1,0,0,1,0,0|1,0,1]=4 224 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [1,0,0,1,0,0|1,0,1]=4 226 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 Z9695 [1,0,0,1,0,0|1,0,1]=4 227 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [1,0,0,1,0,0|1,0,0]=3 228 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [1,0,0,1,0,0|1,0,0]=3 229 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [1,0,0,1,0,0|2,0,0]=4 230 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [1,0,0,1,0,0|2,0,0]=4 231 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [0,0,0,1,1,0|1,1,0]=4 232 B12R2.18 NC1C(=O)NC2=CC=CC=C21 9792AC [0,0,0,1,1,0|2,0,0]=4 233 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [0,0,0,1,1,0|1,0,0]=3 234 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 4245AB [0,0,0,1,1,0|1,0,1]=4 235 B12R2.32 CCC1=NC2=CC=CC=C2S1 3665AF [0,0,0,1,1,0|1,1,0]=4 236 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 6658AD [0,0,0,1,1,0|2,0,0]=4 237 B12R2.32 NCC1=NC2=CC=CC=C2O1 Y6791 [0,0,0,1,1,0|2,0,0]=4 238 B12R2.32 NCC1=NC2=CC=CC=C2O1 Y6959 [0,0,0,1,1,0|2,0,0]=4 239 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 1571AL [0,0,0,1,1,0|2,0,0]=4 240 B12R2.94 NC1(CC2=CC=CC=C2)CC1 8899AD [0,0,0,1,1,0|1,0,1]=4 241 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 9516AD [0,0,0,1,0,1|2,0,0]=4 242 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 2634AL [0,0,0,1,0,1|2,0,0]=4 243 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 5959AD [0,0,0,1,0,1|1,0,0]=3 244 B14R2.19 O=C1CN(CC2=CC=CC=C2)CN1 X5131 [0,0,0,1,0,1|2,0,0]=4 245 B14R2.68 O=C1CC=C(C2=CC=CC=C2)CC1 V6312 [0,0,0,1,0,1|1,0,1]=4 246 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 7325AC [0,0,0,1,0,1|1,0,1]=4 247 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 2478AE [0,0,0,1,0,1|1,0,0]=3 248 B14R2.95 CCC(=O)C1=CNC2=C1C=CC=C2 7718AD [0,0,0,1,0,1|1,0,1]=4 249 B14R2.95 COC(=O)C1CCC2=CC=CC=C21 2360AB [0,0,0,1,0,1|2,0,0]=4 250 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 3108AA [0,0,0,1,0,1|2,0,0]=4 251 B14R2.95 COC(=O)C1CNC2=CC=CC=C21 5260AB [0,0,0,1,0,1|2,0,0]=4 252 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 2297AD [0,0,0,1,0,1|2,0,0]=4 253 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 8962AE [0,0,0,1,0,1|2,0,0]=4 254 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 5526AD [0,0,0,1,0,1|2,0,0]=4 255 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 1834AE [0,0,0,1,0,1|1,0,0]=3 256 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 5704AB [0,1,0,1,0,0|1,0,0]=3 257 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8707AC [0,1,0,1,0,0|2,0,0]=4 258 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8710AC [0,1,0,1,0,0|2,0,0]=4 259 B14R2.21 O=C1CCCN(C2=CC=CC=C2)C1 W3242 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)C1 4282AB [0,1,0,1,0,0|1,0,0]=3 261 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8428AB [0,1,0,1,0,0|1,0,0]=3 262 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8429AB [0,1,0,1,0,0|1,0,0]=3 263 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 W3222 [0,1,0,1,0,0|1,0,0]=3 264 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 6503AD [0,1,0,1,0,0|1,0,0]=3 265 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 8160AC [0,1,0,1,0,0|1,0,0]=3 266 B14R2.260 CC1N=C(C2=CC=CC=C2)OC1=O 2770AL [0,1,0,1,0,0|0,0,1]=3 267 B14R2.20 O=C1CC(C2=CC=C(Cl)C=C2)CN1 8017AH [0,1,0,1,0,0|2,0,0]=4 268 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 2535AL [0,1,0,1,0,0|2,0,0]=4 269 B14R2.20 O=C1CCC(C2=CC=C(Cl)C=C2)N1 2692AB [0,1,0,1,0,0|1,0,0]=3 270 B14R2.22 NC1=CC(C2CNC(=O)C2)=CC=C1 X9311 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.30 CC1=NCCN1CC2=CC=CC=C2 W7330 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 9687AH [0,1,0,1,0,0|1,0,1]=4 273 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [0,1,0,1,0,0|1,0,0]=3 274 B14R2.30 O=C1CCCN1CC2=CC=NC=C2 3751AD [0,1,0,1,0,0|2,0,0]=4 275 B14R2.101 C1=CC=C(COC2CCNC2)C=C1 3033AE [0,1,0,1,0,0|1,0,1]=4 276 B14R2.101 C1=CC=C(CO[C@@H]2CCNC2)C=C1 8997AH [0,1,0,1,0,0|1,0,1]=4 277 B14R2.101 C1=CC=C(CO[C@H]2CCNC2)C=C1 9165AH [0,1,0,1,0,0|1,0,1]=4 278 B14R2.101 C1=CC=C(CO[C@H]2CCNC2)C=C1 9166AH [0,1,0,1,0,0|1,0,1]=4 279 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 1539AB [0,1,0,1,0,0|1,0,1]=4 280 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [1,0,0,0,1,0|1,0,0]=3 281 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [1,0,0,0,1,0|2,0,0]=4 282 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [1,0,0,0,1,0|1,0,1]=4 283 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,0,0,0,1,0|0,0,2]=4 284 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [1,0,0,0,1,0|2,0,0]=4 285 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [1,0,0,0,1,0|2,0,0]=4 286 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [1,0,0,0,1,0|2,0,0]=4 287 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,0,0,0,2,0|1,0,0]=3 288 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [0,0,0,0,2,0|0,0,2]=4 289 B10R1.15 CCC(=O)C1=NC=CN=C1 7151AB [0,0,0,0,2,0|2,0,0]=4 290 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [0,0,0,0,2,0|1,0,1]=4 291 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [0,0,0,0,2,0|1,0,1]=4 292 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,0,0,0,2,0|0,0,2]=4 293 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [0,0,0,0,2,0|0,0,2]=4 294 B10R1.15 NCC(=O)C1=CC=CN=C1 1930AJ [0,0,0,0,2,0|2,0,0]=4 295 B10R1.15 NCC(=O)C1=CC=NC=C1 7230AB [0,0,0,0,2,0|2,0,0]=4 296 B10R1.15 NCC(=O)C1=CN=CC=C1 1455AJ [0,0,0,0,2,0|2,0,0]=4 297 B10R1.15 O=C(CBr)C1=CC=NC=C1 9348AB [0,0,0,0,2,0|2,0,0]=4 298 B10R1.15 O=C(CBr)C1=CN=CC=C1 9347AB [0,0,0,0,2,0|2,0,0]=4 299 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [0,0,0,0,2,0|2,0,0]=4 300 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 5678AB [0,0,0,0,0,2|1,0,0]=3