0 B12R1.27 COC(=O)C#CC1=CC=CC=N1 4H24-1-02 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.27 COC(=O)C#CC1=CC=CN=C1 4H24-1-01 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 COC(=O)C#CC1=CC=NC=C1 4H58-1-469 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 4H23-1-J0 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.27 COC(=O)\C=C\C1=NC=CC=C1 4H23-1-LJ [0,0,0,0,0,0|3,0,1]=4 6 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 4656-1-SV [0,0,0,0,0,0|3,0,1]=4 7 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 2607-1-S1 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.27 NCC(=O)NCC1=CC=CC=C1 4648-1-6R [0,0,0,0,0,0|2,0,0]=2 9 B11R1.28 N#CCOCC1=CC=CC=C1 4637-1-1L [1,0,0,0,0,0|1,0,2]=4 10 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 NC(=O)CCC1=CC=NC=C1 4H48-1-VM [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.11 COC(=O)CC(O)C1=CC=CC=C1 2629-1-3Y [0,1,0,0,0,0|2,0,0]=3 16 B13R1.11 COC(=O)\C=C(/N)C1=CC=CC=C1 4636-1-07 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 2723-1-1X [0,1,0,0,0,0|2,0,0]=3 18 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 2623-5-0S [0,1,0,0,0,0|2,0,0]=3 19 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 4658-5-0U [0,1,0,0,0,0|3,0,0]=4 20 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 4630-1-2B [0,1,0,0,0,0|3,0,0]=4 21 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 2623-1-1A [0,1,0,0,0,0|3,0,0]=4 22 B13R1.15 CCC(=O)NNC1=NC(Cl)=CC=C1 4H56-5-PA [0,1,0,0,0,0|3,0,0]=4 23 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 2623-5-1E [0,1,0,0,0,0|2,0,0]=3 24 B13R1.15 COC(=O)\C=C\C1=CC=CC(O)=C1 2629-1-2U [0,1,0,0,0,0|2,0,1]=4 25 B13R1.42 CCOC(=O)C#CC1=CC=CC=N1 4H58-1-467 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.42 CCOC(=O)C#CC1=CC=CN=C1 4H58-1-468 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.42 CCOC(=O)CCC1=CC=CN=C1 4H58-1-464 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.42 CCOC(=O)CCC1=CC=NC=C1 4H58-1-465 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.42 N#CNC(=O)OCC1=CC=CC=C1 4656-1-9Y [0,1,0,0,0,0|1,0,1]=3 30 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 4658-1-R1A [0,1,0,0,0,0|2,0,0]=3 31 B13R1.135 COC(=O)\C(C)=C\C1=CC=CC=C1 2623-1-EB [0,1,0,0,0,0|2,0,1]=4 32 B13R1.528 COC(=O)CCC1=C(Cl)C=CC=C1 2623-5-1F [0,1,0,0,0,0|2,0,0]=3 33 B13R1.528 COC(=O)CCC1=CC=CC=C1Br 2623-9-34 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.528 COC(=O)CNC1=C(F)C=CC=C1 4631-3-0C [0,1,0,0,0,0|3,0,0]=4 35 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Cl 2624-5-E0 [0,1,0,0,0,0|2,0,1]=4 36 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 4H56-1-06G [0,0,0,1,0,0|1,0,0]=2 37 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 3631-1-14 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 4H56-5-DQ [0,0,0,1,0,0|2,0,1]=4 39 B11R1.25 COC(=O)CCC1=CC=CN1 4H23-1-8N [0,0,0,0,1,0|3,0,0]=4 40 B11R1.25 COC(=O)CCN1C=CC=C1 4H23-1-JH [0,0,0,0,1,0|3,0,0]=4 41 B11R1.40 CNC(=O)OC1=CC=CC=C1 4656-1-7R [0,0,0,0,1,0|1,0,0]=2 42 B11R1.40 COC(=O)CC1=CC=NN=C1 4H58-1-AW [0,0,0,0,1,0|3,0,0]=4 43 B11R1.40 O=C(CCl)NC1=CC=NC=C1 4H48-5-CA [0,0,0,0,1,0|3,0,0]=4 44 B13R1.718 COC(=O)N\N=C\C1=CC=CC=C1 4656-1-EB [0,0,0,0,0,1|2,0,1]=4 45 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 4756-1-0G [0,0,0,0,0,1|2,0,1]=4 46 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [2,0,0,0,0,0|1,0,1]=4 47 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [2,0,0,0,0,0|0,0,0]=2 48 B12R1.1 ClCCOCC1=CC=C(Cl)C=C1 2607-5-0Z [1,1,0,0,0,0|1,0,1]=4 49 B12R1.28 OCCOCC1=CC=CC(Cl)=C1 2607-5-0X [1,1,0,0,0,0|1,0,1]=4 50 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [1,1,0,0,0,0|1,0,0]=3 51 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [1,1,0,0,0,0|1,0,0]=3 52 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [1,1,0,0,0,0|1,0,0]=3 53 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4H48-5-H8 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [1,1,0,0,0,0|1,0,0]=3 55 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [1,1,0,0,0,0|0,0,0]=2 56 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [1,1,0,0,0,0|2,0,0]=4 57 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [1,1,0,0,0,0|2,0,0]=4 59 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [1,1,0,0,0,0|0,1,0]=3 60 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl 2716-5-0D [1,1,0,0,0,0|2,0,0]=4 61 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [1,1,0,0,0,0|0,0,0]=2 62 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [1,1,0,0,0,0|0,1,0]=3 63 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 4653-5-0D [1,1,0,0,0,0|2,0,0]=4 65 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 2623-1-3M [0,1,0,0,1,0|1,0,1]=4 66 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 2623-1-3L [0,1,0,0,1,0|1,0,0]=3 67 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 2623-1-R0 [0,1,0,0,1,0|1,0,0]=3 68 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 2623-1-0W [0,1,0,0,1,0|0,0,0]=2 69 B12R1.49 CNC(=O)NC1=CC=C(Cl)C=C1 4653-5-0F [0,1,0,0,1,0|2,0,0]=4 70 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 4H23-9-0N [0,1,0,0,1,0|2,0,0]=4 71 B12R1.50 CNC(=O)NC1=CC=CC(F)=C1 4653-3-08 [0,1,0,0,1,0|2,0,0]=4 72 B14R1.163 COC(=O)CN[C@@H](C)C1=CC=CC=C1 4658-1-S10 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.163 COC(=O)CN[C@H](C)C1=CC=CC=C1 4658-1-R10 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 4648-1-6D [0,1,0,0,0,1|1,0,1]=4 75 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 4658-1-3V [0,1,0,0,0,1|2,0,0]=4 76 B14R1.756 COC(=O)[C@@H](N)CCC1=CC=CC=C1 4658-1-S1L [0,1,0,0,0,1|2,0,0]=4 77 B14R1.1025 COC(=O)CCCC1=CC=CC(F)=C1 2623-3-2M [0,1,0,0,0,1|2,0,0]=4 78 B14R1.10 COC(=O)CC(N)C1=CC=C(Br)C=C1 4658-9-1P [0,2,0,0,0,0|2,0,0]=4 79 B14R1.5 C#CC1=CC=C(CCC(=O)OC)C=C1 2923-1-32 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.134 COC(=O)C(Br)CC1=CC=C(F)C=C1 2723-B-06 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 4658-3-SC [0,2,0,0,0,0|2,0,0]=4 82 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 4H58-9-R1 [0,2,0,0,0,0|2,0,0]=4 83 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R1 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 2623-3-2A [0,2,0,0,0,0|1,0,0]=3 85 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 4658-3-1F [0,2,0,0,0,0|2,0,0]=4 86 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 2623-1-4C [0,2,0,0,0,0|2,0,0]=4 87 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 2623-1-4X [0,2,0,0,0,0|1,0,1]=4 88 B14R1.727 COC(=O)CCC1=CC=C(N)C=C1F 4758-3-03 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.727 COC(=O)CCC1=CC=C(O)C=C1C 2729-1-80 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.727 COC(=O)CCC1=CC=C(O)C=C1F 2729-3-05 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.32 CCOC(=O)COC1=CC(O)=CC=C1 2623-1-4D [0,2,0,0,0,0|2,0,0]=4 92 B14R1.32 CCOC(=O)\C=C\C1=CC(O)=CC=C1 2623-1-4N [0,2,0,0,0,0|1,0,1]=4 93 B14R1.1007 COC(=O)[C@@H](N)CC1=C(C)C=CC=C1 4758-1-S0 [0,2,0,0,0,0|2,0,0]=4 94 B12R2.2 C1=CC=C(C2CCCO2)C=C1 2H10-1-82 [1,0,0,1,0,0|0,0,1]=3 95 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 3H31-1-SG [1,0,0,1,0,0|2,0,0]=4 96 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 3H31-5-RF [1,0,0,1,0,0|1,0,1]=4 97 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 3H31-1-RF [1,0,0,1,0,0|2,0,0]=4 98 B12R2.1081 NC1COCC2=CC=CC=C21 4H56-1-814 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 4H48-1-0AW [1,0,0,1,0,0|2,0,0]=4 100 B12R2.24 O=C1NCC2=CC=CC=C2O1 4H56-1-06F [1,0,0,1,0,0|2,0,0]=4 101 B12R2.18 CC1C(=O)NC2=NC=CC=C21 4H48-1-TL [0,0,0,1,1,0|2,0,0]=4 102 B12R2.18 CN1C(=O)CC2=CC=CN=C21 4H48-1-TH [0,0,0,1,1,0|2,0,0]=4 103 B14R2.19 O=C1CCN(CC2=CC=CC=C2)N1 4H48-1-02T [0,0,0,1,0,1|1,0,0]=3 104 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 2617-1-0G [0,0,0,1,0,1|0,0,0]=2 105 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 4H48-1-WB [0,0,0,1,0,1|1,0,0]=3 106 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 2H17-1-1D [0,1,0,1,0,0|1,0,0]=3 107 B14R2.101 C1=CC=C(CO[C@@H]2CCNC2)C=C1 4H56-5-RL [0,1,0,1,0,0|1,0,1]=4 108 B14R2.101 C1=CC=C(CO[C@H]2CCNC2)C=C1 4H56-5-SL [0,1,0,1,0,0|1,0,1]=4 109 B14R2.436 BrC1CC(OCC2=CC=CC=C2)C1 2607-9-0M [0,1,0,1,0,0|1,0,1]=4 110 B14R2.436 N[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 4656-1-F5 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 2207-1-E0 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.972 COC(=O)C1CC2=C(C=CC=C2)C1 2623-1-4S [0,1,0,1,0,0|2,0,0]=4 113 B14R2.972 COC(=O)[C@H]1CC2=C(C=CC=C2)N1 4H23-1-R6 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [1,0,0,0,1,0|0,0,2]=4 115 B10R1.15 C=C(CBr)C1=CC=CC=C1 1900-9-0J [0,0,0,0,2,0|2,0,0]=4 116 B10R1.15 C=CC(=O)C1=CC=CC=C1 2617-1-0U [0,0,0,0,2,0|0,0,2]=4 117 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 2602-1-R4 [0,0,0,0,2,0|0,0,2]=4 118 B10R1.15 O=C(CCl)C1=CC=NC=C1 4H33-5-0L [0,0,0,0,2,0|2,0,0]=4 119 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 4758-1-0X [0,0,0,0,0,2|2,0,0]=4