0 B13R1.718 COC(=O)CCNC1=NC=CC=C1 8082AB [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 7191AD [0,0,0,0,0,0|3,1,0]=4 2 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 5861AA [0,0,0,0,0,0|3,0,0]=3 3 B12R1.8 CC#CCNCC1=CC=CC=C1 4019AE [1,0,0,0,0,0|2,0,1]=4 4 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [1,0,0,0,0,0|2,0,1]=4 5 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [1,0,0,0,0,0|2,0,1]=4 6 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [1,0,0,0,0,0|2,0,1]=4 7 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [1,0,0,0,0,0|1,0,1]=3 8 B12R1.252 CC(O)CNCC1=CC=CC=C1 2537AB [1,0,0,0,0,0|1,0,2]=4 9 B12R1.252 O=C(O)CCCC1=CC=CC=N1 0690AA [1,0,0,0,0,0|1,0,0]=2 10 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [1,0,0,0,0,0|1,0,0]=2 11 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [1,0,0,0,0,0|2,0,0]=3 12 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 7002AJ [0,1,0,0,0,0|1,0,0]=2 13 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 2152AE [0,1,0,0,0,0|3,0,0]=4 14 B14R1.13 O=C(CCl)NCCC1=CC=C(F)C=C1 2026AE [0,1,0,0,0,0|3,0,0]=4 15 B14R1.163 CNC(=O)CNC(=O)C1=CC=CC=C1 2066AB [0,1,0,0,0,0|2,0,1]=4 16 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 9674AB [0,1,0,0,0,0|1,0,0]=2 17 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 0974AD [0,1,0,0,0,0|0,0,2]=3 18 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 4782AE [0,1,0,0,0,0|2,0,1]=4 19 B14R1.1025 O=C(CCl)NCCC1=CC=CC(Cl)=C1 4073AB [0,1,0,0,0,0|3,0,0]=4 20 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 3766AL [0,1,0,0,0,0|2,0,0]=3 21 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 9516AD [0,0,0,1,0,0|1,0,0]=2 22 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 5959AD [0,0,0,1,0,0|3,0,0]=4 23 B14R2.19 O=C1CN(CC2=CC=CC=C2)CN1 X5131 [0,0,0,1,0,0|2,0,0]=3 24 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 7199AA [0,0,0,1,0,0|1,1,0]=3 25 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 X8933 [0,0,0,1,0,0|1,2,0]=4 26 B14R2.68 O=C1CC=C(C2=CC=CC=C2)CC1 V6312 [0,0,0,1,0,0|1,0,2]=4 27 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 7325AC [0,0,0,1,0,0|2,0,1]=4 28 B14R2.68 O=C1CCC(C2=CC=CC=C2)CN1 2478AE [0,0,0,1,0,0|1,0,0]=2 29 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 3108AA [0,0,0,1,0,0|1,0,0]=2 30 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 2297AD [0,0,0,1,0,0|3,0,0]=4 31 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 8962AE [0,0,0,1,0,0|3,0,0]=4 32 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 1834AE [0,0,0,1,0,0|1,0,0]=2 33 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,0,0,0,1,0|1,0,0]=2 34 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [0,0,0,0,1,0|3,0,0]=4 35 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,0,0,0,1,0|1,0,0]=2 36 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [0,0,0,0,1,0|1,0,0]=2 37 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 5678AB [0,0,0,0,0,1|0,0,0]=1 38 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 2840AF [0,0,0,0,0,1|3,0,0]=4 39 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [2,0,0,0,0,0|1,0,0]=3 40 B11R1.28 CNCCCC1=CC=CC=C1 3594AL [2,0,0,0,0,0|1,0,0]=3 41 B11R1.28 CNCCCC1=CC=CC=N1 7821AA [2,0,0,0,0,0|2,0,0]=4 42 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [2,0,0,0,0,0|2,0,0]=4 43 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [2,0,0,0,0,0|1,0,1]=4 44 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [2,0,0,0,0,0|1,0,1]=4 45 B11R1.28 OCCCCC1=NC=CC=C1 6014AJ [2,0,0,0,0,0|1,0,1]=4 46 B13R1.9 COCCCOC1=CC=C(Br)C=C1 V4881 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.9 COCCNCC1=CC=C(Cl)C=C1 0219AF [1,1,0,0,0,0|1,0,1]=4 48 B13R1.28 CCCCCCNC1=CC=CC=C1 1380AQ [1,1,0,0,0,0|1,0,1]=4 49 B13R1.28 COCCCNCC1=CC=CC=C1 V5203 [1,1,0,0,0,0|0,0,1]=3 50 B13R1.28 COCCCNCC1=CC=CN=C1 4605AE [1,1,0,0,0,0|1,0,1]=4 51 B13R1.555 COCCCOC1=CC=CC=C1Br Z7195 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.45 CN(C)CCC(Cl)C1=CC=CC=C1 8635AH [1,1,0,0,0,0|2,0,0]=4 53 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 6102AC [1,1,0,0,0,0|2,0,0]=4 54 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 3422AD [1,1,0,0,0,0|2,0,0]=4 55 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2633AJ [1,1,0,0,0,0|0,0,0]=2 56 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2634AJ [1,1,0,0,0,0|0,0,0]=2 57 B13R1.45 N\C(=N/CC(=O)O)C1=CC=CC=C1 0280AE [1,1,0,0,0,0|1,0,1]=4 58 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=N1 5936AE [1,1,0,0,0,0|1,0,1]=4 59 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 5808AE [1,1,0,0,0,0|1,0,1]=4 60 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 8411AD [1,1,0,0,0,0|1,0,0]=3 61 B13R1.149 NC1=CC(CCCC(=O)O)=CC=C1 5501AC [1,1,0,0,0,0|0,0,0]=2 62 B13R1.149 O=C(O)CCCC1=CC(Br)=CC=C1 4924AC [1,1,0,0,0,0|0,0,0]=2 63 B13R1.149 O=C(O)CSCC1=CC=CC(Cl)=C1 1055AE [1,1,0,0,0,0|1,0,0]=3 64 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 2505AL [1,1,0,0,0,0|0,0,0]=2 65 B13R1.158 O=C(O)CCOC1=CC=CC=C1F 9371AD [1,1,0,0,0,0|1,0,0]=3 66 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=NC=C1 2463AB [1,1,0,0,0,0|1,0,0]=3 67 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [1,1,0,0,0,0|1,0,0]=3 68 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O 1797AJ [1,1,0,0,0,0|0,0,0]=2 69 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Y8576 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 4035AD [1,1,0,0,0,0|1,0,0]=3 71 B13R1.513 O=C(O)CCSC1=CC=C(Cl)C=C1 7053AE [1,1,0,0,0,0|1,0,0]=3 72 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 V7880 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 2788AF [1,1,0,0,0,0|1,0,0]=3 74 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 7427AE [1,1,0,0,0,0|1,0,0]=3 75 B13R1.3523 C[Si](C)(Cl)CCCC1=CC=CC=C1 7366AL [1,1,0,0,0,0|1,1,0]=4 76 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 1722AC [0,1,0,0,1,0|1,0,1]=4 77 B13R1.11 COC(=O)CC(N)C1=CC=CN=C1 Z9456 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 Z4025 [0,1,0,0,1,0|2,0,0]=4 79 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 3493AL [0,1,0,0,1,0|0,0,0]=2 80 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 B603 [0,1,0,0,1,0|0,0,0]=2 81 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 8453AE [0,1,0,0,1,0|1,0,0]=3 82 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 V4964 [0,1,0,0,1,0|0,0,0]=2 83 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 2266AA [0,1,0,0,1,0|1,0,0]=3 84 B13R1.14 COC(=O)COC1=NC=C(Br)C=C1 6929AJ [0,1,0,0,1,0|2,0,0]=4 85 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 Y9740 [0,1,0,0,1,0|2,0,0]=4 86 B13R1.15 CCC(=O)NCC1=CC(Br)=CC=C1 3634AL [0,1,0,0,1,0|2,0,0]=4 87 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 0845AD [0,1,0,0,1,0|1,0,0]=3 88 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 7145AJ [0,1,0,0,1,0|0,0,2]=4 89 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 2851AD [0,1,0,0,1,0|1,0,0]=3 90 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 7143AA [0,1,0,0,1,0|1,0,0]=3 91 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 6952AJ [0,1,0,0,1,0|0,0,0]=2 92 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 2136AB [0,1,0,0,1,0|0,0,0]=2 93 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=N1 8305AA [0,1,0,0,1,0|1,0,0]=3 94 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 0152AB [0,1,0,0,1,0|1,0,0]=3 95 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl V6404 [0,1,0,0,1,0|2,0,0]=4 96 B13R1.528 CNC(=O)CCC1=CC=CC=C1N 7472AC [0,1,0,0,1,0|1,0,0]=3 97 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 0982AF [0,1,0,0,1,0|2,0,0]=4 98 B13R1.528 COC(=O)CCC1=CC=CC=C1F V3256 [0,1,0,0,1,0|0,0,0]=2 99 B13R1.528 NNC(=O)CCC1=C(O)C=CC=C1 8248AD [0,1,0,0,1,0|2,0,0]=4 100 B15R1.778 CCOC(=O)CCCOC1=CC=CC=C1 7865AL [0,1,0,0,0,1|0,0,0]=2 101 B15R1.778 O=C(CCCl)NCCSC1=CC=CC=C1 2909AF [0,1,0,0,0,1|2,0,0]=4 102 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 W9270 [0,1,0,0,0,1|0,0,1]=3 103 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 3205AE [0,1,0,0,0,1|0,0,0]=2 104 B15R1.11 CCNC(=O)NCCC1=CC=C(O)C=C1 1577AF [0,2,0,0,0,0|2,0,0]=4 105 B15R1.11 CCOC(=O)NCCC1=CC=C(O)C=C1 8424AE [0,2,0,0,0,0|1,0,0]=3 106 B15R1.132 COC(=O)CCC(=O)C1=CC=C(Cl)C=C1 7427AH [0,2,0,0,0,0|0,0,1]=3 107 B15R1.132 COC(=O)CCC(=O)C1=CC=C(F)C=C1 7048AJ [0,2,0,0,0,0|0,0,1]=3 108 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 0582AB [0,2,0,0,0,0|0,0,0]=2 109 B15R1.981 COC(=O)CC(=O)CC1=CC=C(F)C=C1 4337AE [0,2,0,0,0,0|0,0,1]=3 110 B15R1.3836 COC(=O)CCCC1=CC=C(Cl)C=C1N 3181AA [0,2,0,0,0,0|0,0,0]=2 111 B15R1.89 CCOC(=O)CCC(=O)C1=CC=CC=N1 8815AD [0,2,0,0,0,0|1,0,1]=4 112 B15R1.89 CCOC(=O)CCC(=O)C1=CC=NC=C1 8457AD [0,2,0,0,0,0|1,0,1]=4 113 B15R1.89 CCOC(=O)CN[C@@H](C)C1=CC=CC=C1 6627AJ [0,2,0,0,0,0|1,0,0]=3 114 B15R1.1094 COC(=O)CNS(=O)(=O)C1=CC=CC=C1 0719AC [0,2,0,0,0,0|2,0,0]=4 115 B15R1.826 CCOC(=O)C(=O)NCC1=CC=CC=C1 3305AL [0,2,0,0,0,0|1,0,1]=4 116 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 X9633 [0,2,0,0,0,0|0,0,0]=2 117 B15R1.1370 COC(=O)[C@@H](CO)NCC1=CC=CC=C1 5777AA [0,2,0,0,0,0|1,0,0]=3 118 B15R1.1370 COC(=O)[C@H](CO)NCC1=CC=CC=C1 Z8726 [0,2,0,0,0,0|1,0,0]=3 119 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 W4163 [1,0,0,1,0,0|1,0,1]=4 120 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 1581AC [1,0,0,1,0,0|1,0,1]=4 121 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 W6259 [1,0,0,1,0,0|1,0,1]=4 122 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 5326AC [1,0,0,1,0,0|1,0,1]=4 123 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 2385AJ [1,0,0,1,0,0|0,0,2]=4 124 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 2369AL [1,0,0,1,0,0|0,0,0]=2 125 B13R2.163 O=C1CCCC2=CC=CN=C2N1 0296AC [1,0,0,1,0,0|2,0,0]=4 126 B13R2.163 O=C1CCOC2=CC=CC=C2N1 9348AJ [1,0,0,1,0,0|2,0,0]=4 127 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 1279AJ [1,0,0,1,0,0|1,0,0]=3 128 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 6031AC [1,0,0,1,0,0|0,0,0]=2 129 B13R2.33 O=C1COC2=C(C=CC=C2)CN1 4246AB [0,0,0,1,1,0|2,0,0]=4 130 B15R2.4 COC(=O)CC1=NOC2=C1C=CC=C2 6461AE [0,0,0,1,0,1|1,0,1]=4 131 B15R2.4 COC(=O)CN1N=NC2=CC=CC=C21 B154 [0,0,0,1,0,1|2,0,0]=4 132 B15R2.29 BrC1=CCN(CC2=CC=CC=C2)CC1 Y8001 [0,0,0,1,0,1|2,0,0]=4 133 B15R2.29 O=C1CCN(CC2=CC=CN=C2)CC1 Q538 [0,0,0,1,0,1|2,0,0]=4 134 B15R2.548 O=C1CCC(C2=CC=CC=C2)CCN1 1667AC [0,0,0,1,0,1|1,0,0]=3 135 B15R2.79765 COC(=O)C1NCCC2=CC=CC=C21 4184AJ [0,0,0,1,0,1|0,0,0]=2 136 B15R2.79765 O=C(CCl)N1CCCC2=CC=CC=C21 9165AD [0,0,0,1,0,1|2,0,0]=4 137 B15R2.98 NC1=CC=C(C[C@@H]2COC(=O)N2)C=C1 2311AB [0,1,0,1,0,0|1,0,0]=3 138 B15R2.1559 CC1=CC=C(C2CC2C(=O)NN)C=C1 3603AE [0,1,0,1,0,0|2,0,0]=4 139 B15R2.50022 CC1C(=O)NCCC2=C1C=C(Cl)C=C2 2748AC [0,1,0,1,0,0|2,0,0]=4 140 B15R2.1 O=CC1CCC(C2=CC=CC=C2)CC1 7268AA [0,1,0,1,0,0|1,0,1]=4 141 B15R2.73 CCOC(=O)C1CNC2=CC=CC=C21 2560AA [0,1,0,1,0,0|1,0,0]=3 142 B15R2.73 CNCC(=O)N1CCC2=C1C=CC=C2 8107AC [0,1,0,1,0,0|2,0,0]=4 143 B15R2.73 NCCC(=O)N1CCC2=C1C=CC=C2 2404AD [0,1,0,1,0,0|2,0,0]=4 144 B15R2.73 O=C(CCCl)N1CCC2=C1C=CC=C2 7281AE [0,1,0,1,0,0|2,0,0]=4 145 B15R2.1342 CCOC(=O)C1CC1C2=CN=CC=C2 9944AB [0,1,0,1,0,0|1,0,0]=3 146 B15R2.1569 COC(=O)CC1=NC2=CC=CC=C2O1 4201AJ [0,1,0,1,0,0|1,0,1]=4 147 B15R2.1601 COC(=O)C1CCC2=C(C=CC=C2)N1 W6149 [0,1,0,1,0,0|0,0,0]=2 148 B15R2.1601 COC(=O)C1CCC2=C(C=CC=C2)O1 9092AC [0,1,0,1,0,0|0,0,0]=2 149 B15R2.1601 COC(=O)[C@@H]1CCC2=C(C=CC=C2)N1 H547 [0,1,0,1,0,0|0,0,0]=2 150 B15R2.1601 COC(=O)[C@H]1CC2=C(C=CC=C2)CN1 4373AH [0,1,0,1,0,0|1,0,0]=3 151 B15R2.308 O=C1CCC(C2=CC=CC=C2F)CC1 1085AB [0,1,0,1,0,0|1,0,0]=3 152 B15R2.308 O=C1CCN(C2=CC=CC=C2F)CC1 9528AC [0,1,0,1,0,0|2,0,0]=4 153 B15R2.308 O=C1COC(C2=C(Cl)C=CC=C2)CN1 9545AJ [0,1,0,1,0,0|2,0,0]=4 154 B15R2.28 O=C1CCN(C2=CC=CC(F)=C2)CC1 9440AH [0,1,0,1,0,0|2,0,0]=4 155 B15R2.19094 COC(=O)C1CCC2=C1C=CC(N)=C2 5942AA [0,1,0,1,0,0|0,0,0]=2 156 B15R2.1255 CC(Cl)C(=O)N1CCC2=CC=CC=C21 8397AC [0,1,0,1,0,0|2,0,0]=4 157 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [1,0,0,0,1,0|2,0,0]=4 158 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [1,0,0,0,1,0|2,0,0]=4 159 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [1,0,0,0,1,0|2,0,0]=4 160 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [1,0,0,0,1,0|2,0,0]=4 161 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [1,0,0,0,1,0|2,0,0]=4 162 B11R1.91 NC(=O)CNC1=CC=CC=C1 V4420 [1,0,0,0,1,0|2,0,0]=4 163 B11R1.91 O=C(O)CCC1=NC=CC=C1 V3472 [1,0,0,0,1,0|1,0,0]=3 164 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [1,0,0,0,1,0|2,0,0]=4 165 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [1,0,0,0,1,0|2,0,0]=4 166 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [1,0,0,0,1,0|2,0,0]=4 167 B11R1.172 O=C(O)CCCC1=CNC=C1 0382AQ [1,0,0,0,1,0|1,0,0]=3 168 B11R1.172 O=C(O)CCCN1C=CN=C1 8713AE [1,0,0,0,1,0|2,0,0]=4 169 B11R1.172 O=C(O)CSCC1=CC=CO1 2370AF [1,0,0,0,1,0|2,0,0]=4 170 B11R1.25 COC(=O)CCC1=CC=CS1 8609AA [0,0,0,0,2,0|1,0,0]=3 171 B11R1.40 CCC(=O)OC1=CC=CC=C1 8795AL [0,0,0,0,2,0|2,0,0]=4 172 B11R1.40 CNC(=O)CC1=CN=CC=C1 8304AC [0,0,0,0,2,0|2,0,0]=4 173 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [0,0,0,0,2,0|1,0,0]=3 174 B11R1.40 COC(=O)CC1=NC=NC=C1 Y1676 [0,0,0,0,2,0|2,0,0]=4