0 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [0,0,0,0,0,0|0,0,0]=0 1 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [0,0,0,0,0,0|2,0,0]=2 2 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4H48-5-H8 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [0,0,0,0,0,0|2,0,0]=2 5 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 CC(C)COC1=CC=C(Cl)C=C1 2607-5-2B [0,0,0,0,0,0|3,0,1]=4 7 B12R1.21 CC(C)COC1=CC=C(O)C=C1 2607-1-2B [0,0,0,0,0,0|3,0,1]=4 8 B12R1.21 CC(C)CSC1=CC=C(O)C=C1 6666-1-0U [0,0,0,0,0,0|3,0,1]=4 9 B12R1.21 CC(N)COC1=CC=C(F)C=C1 4656-3-7X [0,0,0,0,0,0|3,0,1]=4 10 B12R1.21 CC(O)CCC1=CC=C(Br)C=C1 2602-9-00 [0,0,0,0,0,0|1,0,2]=3 11 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [0,0,0,0,0,0|2,0,0]=2 12 B11R1.1 C=CCCC1=CC=C(Br)C=C1 1900-9-X3 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 1900-5-15 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.1 CCCOC1=CC=C(Cl)C=C1 2607-5-25 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.1 CCCSC1=CC=C(O)C=C1 6666-1-0W [1,0,0,0,0,0|2,0,1]=4 16 B11R1.1 COCOC1=CC=C(Cl)C=C1 2608-5-0E [1,0,0,0,0,0|3,0,0]=4 17 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [1,0,0,0,0,0|2,0,0]=3 18 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 NC(=O)CCC1=CC=NC=C1 4H48-1-VM [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.3 CC(=O)\C=C\C1=CC=C(C=O)C=C1 2917-1-0L [0,1,0,0,0,0|0,0,3]=4 23 B13R1.3 COC1=CC=C(OCC(C)O)C=C1 2608-1-1L [0,1,0,0,0,0|1,0,2]=4 24 B13R1.14 CC1=CC=C(OC\C(N)=N\O)C=C1 4747-1-0A [0,1,0,0,0,0|2,0,1]=4 25 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 2723-1-1X [0,1,0,0,0,0|0,0,0]=1 26 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 2623-5-0S [0,1,0,0,0,0|1,0,0]=2 27 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 4658-5-0U [0,1,0,0,0,0|2,0,0]=3 28 B13R1.14 COC(=O)COC1=CC=C(Br)C=N1 4H58-9-4A [0,1,0,0,0,0|3,0,0]=4 29 B13R1.14 COC(=O)COC1=CC=C(Cl)N=C1 4H58-5-CA [0,1,0,0,0,0|3,0,0]=4 30 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 4630-1-2B [0,1,0,0,0,0|2,0,0]=3 31 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 2623-1-1A [0,1,0,0,0,0|2,0,0]=3 32 B13R1.14 N\C(CCC1=CC=C(Cl)C=C1)=N\O 4647-5-25 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 2618-3-00 [0,1,0,0,0,0|1,0,1]=3 34 B13R1.133 CC(=O)C(=O)NC1=CC=C(Cl)C=C1 4648-5-0F [0,1,0,0,0,0|2,0,1]=4 35 B13R1.133 CC(=O)C(C)OC1=CC=C(C)C=C1 2717-1-0H [0,1,0,0,0,0|1,0,0]=2 36 B13R1.133 CC(=O)C(C)OC1=CC=C(Cl)C=C1 2617-5-0G [0,1,0,0,0,0|2,0,0]=3 37 B13R1.133 CC(=O)C(C)OC1=CC=C(F)C=C1 2617-3-0L [0,1,0,0,0,0|2,0,0]=3 38 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 2716-7-19 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 2629-5-46 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 2729-3-08 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 2629-3-S0 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R0 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.164 CC1=CC=C(OC[C@@H](C)N)C(C)=C1 4756-1-1H [0,1,0,0,0,0|2,0,1]=4 45 B13R1.164 NC1=CC=C(CCC(=O)O)C(F)=C1 4757-3-43 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl 2621-7-76 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1F 2729-3-04 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.511 CC(=O)\C=C\C1=CC=C(Cl)C(Cl)=C1 2921-5-10 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.512 CC1=CC=C(CNS(C)(=O)=O)C=C1 8769-1-0G [0,1,0,0,0,0|2,0,0]=3 50 B13R1.512 CS(=O)(=O)NCC1=CC=C(F)C=C1 8667-3-09 [0,1,0,0,0,0|3,0,0]=4 51 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 2617-9-30 [0,0,0,1,0,0|1,0,0]=2 52 B13R2.155 CC1=CC2=NC(C)=CC=C2C=C1 3H32-1-FR [0,0,0,1,0,0|1,0,2]=4 53 B11R1.20 CC(=O)NC1=CC=C(Cl)N=C1 4H48-5-HJ [0,0,0,0,1,0|3,0,0]=4 54 B11R1.20 CC(C)CC1=CC=C(O)C=C1 2701-1-1K [0,0,0,0,1,0|2,0,1]=4 55 B11R1.20 CN(C)CC1=CC=C(Cl)C=C1 3632-5-0A [0,0,0,0,1,0|3,0,0]=4 56 B11R1.20 CN(C)CC1=CC=C(O)C=C1 4632-1-0S [0,0,0,0,1,0|3,0,0]=4 57 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 4H57-1-02 [0,0,0,0,1,0|3,0,0]=4 58 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 4621-5-00 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.1 C=CCC1=CC=C(Br)C=C1 1900-9-03 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.1 CCCC1=CC=C(F)C=C1 1700-3-14 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.1 CCSC1=CC=C(O)C=C1 6666-1-0Z [2,0,0,0,0,0|2,0,0]=4 62 B10R1.1 COCC1=CC=C(Cl)C=C1 2607-5-29 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [2,0,0,0,0,0|1,0,1]=4 64 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [2,0,0,0,0,0|1,0,1]=4 65 B12R1.1 CCCCOC1=CC=C(Cl)C=C1 2607-5-2L [1,1,0,0,0,0|1,0,1]=4 66 B12R1.1 CCCCSC1=CC=C(O)C=C1 6666-1-1C [1,1,0,0,0,0|1,0,1]=4 67 B12R1.1 COCCOC1=CC=C(Cl)C=C1 2608-5-0F [1,1,0,0,0,0|2,0,0]=4 68 B12R1.1 NCCCCC1=CC=C(F)C=C1 3730-3-46 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.27 NCC(=O)NCC1=CC=CC=C1 4648-1-6R [1,1,0,0,0,0|1,0,0]=3 71 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [1,1,0,0,0,0|1,0,1]=4 73 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 4654-1-V5 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl 2716-5-0D [1,1,0,0,0,0|1,0,0]=3 76 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [1,1,0,0,0,0|1,0,0]=3 77 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 4653-5-0D [1,1,0,0,0,0|2,0,0]=4 80 B12R1.226 O=C(O)CSC1=CC=CC(F)=C1 6666-3-24 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 2723-9-19 [0,1,0,0,1,0|1,0,0]=3 82 B12R1.4 CC(=O)SC1=CC=C(C=O)C=C1 6666-1-0V [0,1,0,0,1,0|1,0,1]=4 83 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 2721-5-31 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.19 CC(=O)OC1=CC(N)=C(F)C=C1 4656-3-BX [0,1,0,0,1,0|2,0,0]=4 85 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2629-9-S0 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 2629-5-S4 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 2629-9-R0 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.106 CS(=O)(=O)CC1=CC=C(F)C=C1 6663-3-0C [0,1,0,0,1,0|2,0,0]=4 89 B12R1.233 CC(=O)CC1=CC=C(Cl)C=C1C 2617-5-0N [0,1,0,0,1,0|1,0,0]=3 90 B12R1.233 CC(=O)NC1=C(O)C=C(Cl)C=C1 4648-5-2F [0,1,0,0,1,0|2,0,0]=4 91 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Cl)C=C1 2617-5-0M [0,1,0,0,0,1|1,0,0]=3 92 B14R1.698 CN(CC(=O)O)CC1=CC=C(Br)C=C1 4658-9-23 [0,1,0,0,0,1|2,0,0]=4 93 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 2618-1-0K [0,2,0,0,0,0|0,0,1]=3 94 B14R1.3 COC1=CC=C(OC(C)C(C)=O)C=C1 2617-1-0J [0,2,0,0,0,0|1,0,0]=3 95 B14R1.5 C#CC1=CC=C(CCC(=O)OC)C=C1 2923-1-32 [0,2,0,0,0,0|0,0,1]=3 96 B14R1.5 COC(=O)COC1=CC=C(CO)C=C1 2623-1-4Y [0,2,0,0,0,0|1,0,0]=3 97 B14R1.142 NCCC1=CC=C(OCC(=O)O)C=C1 4657-1-77 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1F 2621-3-4J [0,2,0,0,0,0|1,0,0]=3 99 B14R1.10 COC(=O)CC(N)C1=CC=C(Br)C=C1 4658-9-1P [0,2,0,0,0,0|1,0,0]=3 100 B14R1.134 COC(=O)C(Br)CC1=CC=C(F)C=C1 2723-B-06 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.134 COC(=O)C(C)OC1=CC=C(O)C=C1 2623-1-0Z [0,2,0,0,0,0|2,0,0]=4 102 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 4658-3-SC [0,2,0,0,0,0|1,0,0]=3 103 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 4H58-9-R1 [0,2,0,0,0,0|1,0,0]=3 104 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R1 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 2623-3-2A [0,2,0,0,0,0|1,0,0]=3 106 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 4658-3-1F [0,2,0,0,0,0|2,0,0]=4 107 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 2623-1-4C [0,2,0,0,0,0|2,0,0]=4 108 B14R1.727 COC(=O)CCC1=CC=C(N)C=C1F 4758-3-03 [0,2,0,0,0,0|1,0,0]=3 109 B14R1.727 COC(=O)CCC1=CC=C(O)C=C1C 2729-1-80 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.727 COC(=O)CCC1=CC=C(O)C=C1F 2729-3-05 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.727 COC(=O)COC1=CC=C(O)C=C1C 2723-1-1Q [0,2,0,0,0,0|2,0,0]=4 112 B14R1.685 NC(CC(=O)O)C1=CC(Br)=C(O)C=C1 4657-B-0A [0,2,0,0,0,0|2,0,0]=4 113 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(Br)C=C1 2621-9-43 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(F)C=C1 2621-3-6D [0,2,0,0,0,0|2,0,0]=4 115 B14R1.6048 NC(CC(=O)O)C1=CC=C(Cl)C=C1Cl 4657-5-24 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.536 N#CC(CC1=CC=C(O)C=C1)C(=O)O 4637-1-80 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.6049 CC(=O)C(C)OC1=C(F)C=C(F)C=C1 2617-3-0P [0,2,0,0,0,0|2,0,0]=4 118 B12R2.24 ClC1=CC=C2CCNCC2=C1 3H31-5-0Q [1,0,0,1,0,0|2,0,0]=4 119 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 3H31-5-9A [1,0,0,1,0,0|2,0,0]=4 120 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 3H32-1-JR [0,0,0,1,1,0|1,0,1]=4 121 B14R2.4402 CC(=O)C1CC1C2=CC=C(Cl)C=C2 2617-5-0L [0,0,0,1,0,1|1,0,0]=3 122 B14R2.4402 CC(=O)C1CC1C2=CC=C(F)C=C2 2617-3-0Q [0,0,0,1,0,1|1,0,0]=3 123 B14R2.4402 CC1=CC=C(C2OC2C(=O)O)C=C1 2721-1-2N [0,0,0,1,0,1|1,0,0]=3 124 B14R2.4402 O=C(O)C1OC1C2=CC=C(Cl)C=C2 2621-5-0D [0,0,0,1,0,1|2,0,0]=4 125 B14R2.4536 CC1=CC2=C(C=C1)SCCC2(C)O 6H01-1-0D [0,0,0,1,0,1|0,0,2]=4 126 B14R2.4536 CC1=CC=C2NCCC(C)(C)C2=C1 3H31-1-CZ [0,0,0,1,0,1|1,0,1]=4 127 B14R2.8239 O=C1CCC2=C(C=C(F)C(Br)=C2)N1 4H48-B-39 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [1,0,0,0,1,0|0,0,2]=4 129 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 6665-5-03 [0,0,0,0,2,0|2,0,0]=4 130 B10R1.13 NC1=CC=C(C(=O)Cl)C=C1 4630-5-0B [0,0,0,0,2,0|2,0,0]=4 131 B12R1.252 N=C(N)NCCC1=CC=CC=C1 8664-1-28 [1,0,0,0,0,1|2,0,0]=4 132 B12R1.252 O=C(O)COCC1=CC=NC=C1 4H21-5-4S [1,0,0,0,0,1|2,0,0]=4