0 B11R1.40 CC(C#N)NC1=CC=CC=C1 3637-1-25 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 CNC(=O)OC1=CC=CC=C1 4656-1-7R [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C#CCNC1=CC=CC=C1 3631-1-0Q [1,0,0,0,0,0|2,0,1]=4 3 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [1,0,0,0,0,0|2,0,0]=3 5 B10R1.18 CC(C)CC1=CC=NC=C1 3H32-5-JC [1,0,0,0,0,0|1,0,0]=2 6 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 2623-1-3L [0,1,0,0,0,0|2,0,1]=4 8 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 2623-1-R0 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.49 CNC(=O)NC1=CC=C(Cl)C=C1 4653-5-0F [0,1,0,0,0,0|2,0,1]=4 11 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4656-3-R6 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 4656-3-S6 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.50 CNC(=O)NC1=CC=CC(F)=C1 4653-3-08 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 4656-3-CA [0,1,0,0,0,0|3,0,0]=4 15 B12R1.118 N#CC(CO)CC1=CC=CC=C1 4637-1-77 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl 4656-5-S5 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F 4656-3-S9 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.18 CN1C(=O)CC2=CC=CN=C21 4H48-1-TH [0,0,0,1,0,0|2,0,1]=4 19 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@H]1O 4656-5-1H [0,0,0,1,0,0|3,0,0]=4 20 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 4H48-1-0AW [0,0,0,1,0,0|2,0,1]=4 21 B12R2.24 O=C1NCC2=CC=CC=C2O1 4H56-1-06F [0,0,0,1,0,0|2,0,1]=4 22 B12R2.32 CNC1=NC2=CC=CC=C2S1 7H31-1-0D [0,0,0,1,0,0|2,0,1]=4 23 B12R2.32 NCC1CC2=CC=CC=C2O1 4H30-5-00 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.32 OCC1CC2=CC=CC=C2O1 2H10-1-Y0 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.32 OC[C@H]1CC2=CC=CC=C2N1 4H56-1-R09 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 3H31-5-4X [0,0,0,1,0,0|2,0,0]=3 27 B12R2.2058 C1=CC=C(NC2COC2)C=C1 4H31-1-2C [0,0,0,1,0,0|3,0,0]=4 28 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4H56-5-DT [0,0,0,1,0,0|3,0,0]=4 29 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 2602-1-R4 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 2615-1-R0 [0,0,0,0,1,0|2,0,0]=3 31 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 2615-1-S0 [0,0,0,0,1,0|2,0,0]=3 32 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 3H37-1-AY [0,0,0,0,1,0|1,0,2]=4 33 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 4656-1-SV [0,0,0,0,0,1|2,0,0]=3 34 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 2607-1-S1 [0,0,0,0,0,1|2,0,0]=3 35 B9R1.8 CNCC1=CN=CN=C1 3H31-1-5J [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 NOCC1=CC=CN=C1 4H47-1-62 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.1 C=CCCC1=CC=C(Br)C=C1 1900-9-X3 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 1900-5-15 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.1 CCCOC1=CC=C(Cl)C=C1 2607-5-25 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.1 CCCSC1=CC=C(O)C=C1 6666-1-0W [1,1,0,0,0,0|2,0,0]=4 41 B11R1.1 COCOC1=CC=C(Cl)C=C1 2608-5-0E [1,1,0,0,0,0|2,0,0]=4 42 B11R1.16 CC(CCN)C1=CC=CC=C1 3630-1-26 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.16 CCCC(N)C1=CC=NC=C1 3H30-1-VE [1,1,0,0,0,0|2,0,0]=4 44 B11R1.17 CCCOC1=CC=CC=C1N 4656-1-5B [1,1,0,0,0,0|2,0,0]=4 45 B11R1.17 CCNCC1=C(O)C=CC=C1 4631-1-19 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.17 COCOC1=C(Cl)C=CC=C1 2608-5-0K [1,1,0,0,0,0|2,0,0]=4 47 B11R1.17 COCOC1=C(O)C=CC=C1 2608-1-1F [1,1,0,0,0,0|2,0,0]=4 48 B11R1.24 C=CCCC1=CC=CC(Br)=C1 1900-9-04 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.24 CCCOC1=CC(Cl)=CC=C1 2607-5-2C [1,1,0,0,0,0|2,0,0]=4 50 B11R1.24 CCCOC1=CC(O)=CC=C1 2607-1-2C [1,1,0,0,0,0|2,0,0]=4 51 B11R1.24 CCCSC1=CC(O)=CC=C1 6666-1-1G [1,1,0,0,0,0|2,0,0]=4 52 B11R1.24 CCNCC1=CC=CC(F)=C1 3H31-3-0R [1,1,0,0,0,0|2,0,0]=4 53 B11R1.24 COCOC1=CC=CC(O)=C1 2608-1-0X [1,1,0,0,0,0|2,0,0]=4 54 B11R1.24 O=CCCC1=CC(Br)=CC=C1 2615-9-42 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.28 N#CCOCC1=CC=CC=C1 4637-1-1L [1,1,0,0,0,0|2,0,0]=4 56 B11R1.28 OCCCCC1=CC=CC=N1 4H01-1-B5 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.20 CC(C)CC1=CC=C(O)C=C1 2701-1-1K [1,1,0,0,0,0|0,0,0]=2 58 B11R1.20 CC(C)NC1=CC=C(F)C=N1 3H31-3-1M [1,1,0,0,0,0|2,0,0]=4 59 B11R1.20 CC(C)OC1=CC=C(O)C=N1 4H07-1-4S [1,1,0,0,0,0|2,0,0]=4 60 B11R1.20 CC(C)SC1=CC=C(O)C=C1 6666-1-0X [1,1,0,0,0,0|1,0,0]=3 61 B11R1.20 CC(C)SC1=NC=C(Cl)C=C1 7H66-5-0V [1,1,0,0,0,0|2,0,0]=4 62 B11R1.20 CN(C)CC1=CC=C(Cl)C=C1 3632-5-0A [1,1,0,0,0,0|1,0,0]=3 63 B11R1.20 CN(C)CC1=CC=C(O)C=C1 4632-1-0S [1,1,0,0,0,0|1,0,0]=3 64 B11R1.86 NC(=O)CC1=CC=CC=C1I 4648-H-06 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.157 CC(C)NC1=CC=CC(F)=C1 3631-3-06 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.157 CC(C)OC1=CC(Cl)=CC=C1 2607-5-2D [1,1,0,0,0,0|1,0,0]=3 67 B11R1.157 CC(C)OC1=CC(O)=CC=C1 2607-1-2H [1,1,0,0,0,0|1,0,0]=3 68 B11R1.157 CC(C)OC1=CC=CC(Cl)=N1 4H56-5-FV [1,1,0,0,0,0|2,0,0]=4 69 B11R1.157 CC(C)SC1=CC(O)=CC=C1 6666-1-1H [1,1,0,0,0,0|1,0,0]=3 70 B11R1.157 CN(C)CC1=CC=CC(Cl)=C1 3632-5-0D [1,1,0,0,0,0|1,0,0]=3 71 B11R1.509 CC(C)(C)OC1=CC=CC=C1 2607-1-1N [1,1,0,0,0,0|1,0,0]=3 72 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4656-1-2W [0,1,0,0,1,0|2,0,0]=4 73 B11R1.7 CN=S(C)(=O)C1=CC=CC=C1 8669-1-1A [0,1,0,0,1,0|1,0,1]=4 74 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 4648-5-0U [0,1,0,0,1,0|1,0,1]=4 75 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 3637-5-12 [0,1,0,0,1,0|0,0,2]=4 76 B11R1.23 CC(C=O)C1=CC(Br)=CC=C1 2615-9-0J [0,1,0,0,1,0|2,0,0]=4 77 B11R1.23 CNC(=O)C1=CC(Cl)=CC=C1 4648-5-2X [0,1,0,0,1,0|1,0,1]=4 78 B13R1.19 CN(CCO)CC1=CC=C(F)C=C1 4656-3-3J [0,2,0,0,0,0|2,0,0]=4 79 B13R1.20 CCNC(=O)CC1=CC(Cl)=CC=C1 4648-5-3P [0,2,0,0,0,0|1,0,1]=4 80 B13R1.20 CCNC(=O)CC1=CC(O)=CC=C1 4648-1-4A [0,2,0,0,0,0|1,0,1]=4 81 B13R1.44 O=C(CC1=CC=CC=C1)NCCCl 4648-5-0M [0,2,0,0,0,0|1,0,1]=4 82 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 3632-5-S0 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.86 COC(OC)C(N)C1=CC=CN=C1 4H58-1-62 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 4656-1-6K [0,2,0,0,0,0|2,0,0]=4 85 B13R1.263 CC(C)(CO)[C@@H](O)C1=CC=CC=C1 2604-1-S0 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.133 CC(=O)C(C)OC1=CC=C(C)C=C1 2717-1-0H [0,2,0,0,0,0|2,0,0]=4 87 B13R1.133 CC(=O)C(C)OC1=CC=C(Cl)C=C1 2617-5-0G [0,2,0,0,0,0|2,0,0]=4 88 B13R1.133 CC(=O)C(C)OC1=CC=C(F)C=C1 2617-3-0L [0,2,0,0,0,0|2,0,0]=4 89 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 2716-7-19 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.148 CC(=O)C(C)OC1=CC(C)=CC=C1 2717-1-0J [0,2,0,0,0,0|2,0,0]=4 91 B13R1.148 CC(=O)C(C)OC1=CC(Cl)=CC=C1 2617-5-0H [0,2,0,0,0,0|2,0,0]=4 92 B13R1.148 CC(=O)C(C)OC1=CC(F)=CC=C1 2617-3-0M [0,2,0,0,0,0|2,0,0]=4 93 B13R1.202 CC(=O)C(C)OC1=C(Cl)C=CC=C1 2617-5-0J [0,2,0,0,0,0|2,0,0]=4 94 B13R1.202 CC(=O)C(C)OC1=C(F)C=CC=C1 2617-3-0N [0,2,0,0,0,0|2,0,0]=4 95 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 4657-5-S0 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.146 CCN(CC)CC1=CC(O)=CC=C1 4632-1-14 [0,2,0,0,0,0|2,0,0]=4 97 B11R2.1 C=C1CCC2=CC=CC=C12 1700-1-70 [1,0,0,1,0,0|1,0,1]=4 98 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3630-5-34 [1,0,0,1,0,0|2,0,0]=4 99 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3632-5-07 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.239 C1=CC=C(C2CNC2)N=C1 3H31-5-3Q [1,0,0,1,0,0|1,0,0]=3 101 B11R2.988 NCC1CC2=CC=CC=C21 3630-1-0F [1,0,0,1,0,0|2,0,0]=4 102 B11R2.10 CC1CC2=CC=CN=C2N1 3H31-1-GX [1,0,0,1,0,0|1,0,0]=3 103 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 3H31-1-S1 [1,0,0,1,0,0|0,0,0]=2 104 B11R2.40 CC1(C2=CC=CC=C2)CN1 3631-1-07 [0,0,0,1,1,0|0,0,0]=2 105 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 4H56-1-06G [0,0,0,1,0,1|1,0,1]=4 106 B13R2.57 OCC1CC2=CC=CC=C2CN1 4H56-1-0CU [0,0,0,1,0,1|2,0,0]=4 107 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 3631-1-14 [0,0,0,1,0,1|1,0,0]=3 108 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 4H56-5-DQ [0,0,0,1,0,1|2,0,0]=4 109 B13R2.15 O[C@@H]1CNCC1C2=CC=CC=C2 4H22-1-58 [0,1,0,1,0,0|1,0,0]=3 110 B13R2.26 S=C=NC1CC2=CC=CC=C2C1 7768-1-00 [0,1,0,1,0,0|0,0,2]=4 111 B13R2.221 CC1(OC2=CC=CC=C2)CNC1 4H56-5-DS [0,1,0,1,0,0|1,0,0]=3 112 B13R2.45 CN[C@H]1CC2=CC=CC=C2[C@@H]1O 4656-1-0L [0,1,0,1,0,0|0,0,0]=2 113 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 3630-5-S0 [0,1,0,1,0,0|1,0,0]=3 114 B13R2.3080 CN1C(C2=CC=CC=C2)C1(C)C 3H32-1-CK [0,1,0,1,0,0|0,0,0]=2 115 B13R2.148 NC1(CC2=CC=C(Br)C=C2)CC1 3730-D-02 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.3028 CN1C(=O)CC2=CC=C(N)C=C21 4H48-1-BR [0,1,0,1,0,0|1,0,1]=4 117 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 3H30-3-88 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 3730-7-S2 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 3H30-3-S3 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.3683 OC1CCC2=CC(F)=CC=C2C1 2701-3-29 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.5190 CC1=NC2=CC(N)=CC=C2N1C 3H30-1-MQ [0,1,0,1,0,0|1,0,1]=4 122 B13R2.5190 CC1CC2=C(C=CC(F)=C2)C1=O 2717-3-0D [0,1,0,1,0,0|2,0,0]=4 123 B13R2.162 NC1=CC=CC2=C1CC(O)CC2 4656-1-7W [0,1,0,1,0,0|2,0,0]=4 124 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br 4H48-9-W7 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.6 CC(N)C1=CC=NN=C1 3H30-1-DF [1,0,0,0,1,0|2,0,0]=4 126 B9R1.11 CNC(C)C1=COC=C1 4H31-1-1Y [0,0,0,0,2,0|1,0,0]=3