0 B11R1.16 CC(CCN)C1=CC=CC=C1 3630-1-26 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.16 CC(NC=O)C1=CN=CC=C1 4H48-1-3J [0,0,0,0,0,0|4,0,0]=4 2 B11R1.16 CC(NC=O)C1=NC=CC=C1 4H48-1-3H [0,0,0,0,0,0|4,0,0]=4 3 B11R1.16 CCCC(N)C1=CC=NC=C1 3H30-1-VE [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 C=C(CBr)C1=CC=CC=C1 1900-9-0J [1,0,0,0,0,0|1,0,2]=4 5 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 2602-1-R4 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 2615-1-R0 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 2615-1-S0 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.15 NCC(O)C1=CC=CC=N1 4H30-1-6H [1,0,0,0,0,0|2,0,0]=3 9 B10R1.15 [C-]#[N+]C(C)C1=CC=NC=C1 3H37-1-AY [1,0,0,0,0,0|1,0,2]=4 10 B10R1.17 C#CCNC1=CC=CC=C1 3631-1-0Q [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [1,0,0,0,0,0|2,0,0]=3 13 B12R1.16 CN(CCO)C1=CC=C(N)C=C1 4H32-1-31 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.30 NCCCC(N)C1=CC=CN=C1 3H30-1-1T [0,1,0,0,0,0|3,0,0]=4 15 B12R1.30 NCCCC(N)C1=CC=NC=C1 3H30-1-1U [0,1,0,0,0,0|3,0,0]=4 16 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 4648-1-2U [0,1,0,0,0,0|1,0,2]=4 17 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 2623-1-3L [0,1,0,0,0,0|1,0,1]=3 18 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 2623-1-R0 [0,1,0,0,0,0|1,0,1]=3 19 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 4654-1-V5 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.308 NC(CCO)C1=C(F)C=CC=C1 4630-3-0C [0,1,0,0,0,0|3,0,0]=4 21 B12R2.2 C1=CC=C(C2CCCO2)C=C1 2H10-1-82 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 3H31-1-SG [0,0,0,1,0,0|0,0,0]=1 23 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 3H31-5-RF [0,0,0,1,0,0|2,0,0]=3 24 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 3H31-1-RF [0,0,0,1,0,0|0,0,0]=1 25 B12R2.1081 CC1=NCCC2=C1C=CC=C2 3H32-1-NK [0,0,0,1,0,0|2,0,1]=4 26 B12R2.1081 NC1COCC2=CC=CC=C21 4H56-1-814 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 3H33-5-R1 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 3633-5-S1 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.6 CC(N)C1=CC=NN=C1 3H30-1-DF [2,0,0,0,0,0|2,0,0]=4 30 B9R1.8 CNCC1=CN=CN=C1 3H31-1-5J [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 NOCC1=CC=CN=C1 4H47-1-62 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.7 CC(C)(CN)C1=CC=NC=C1 3H30-1-8X [1,1,0,0,0,0|1,0,0]=3 33 B11R1.7 CC(C)(CN)C1=CN=CC=N1 3H30-1-9P [1,1,0,0,0,0|2,0,0]=4 34 B11R1.7 CC(O)(CN)C1=CC=CC=C1 4656-1-2W [1,1,0,0,0,0|0,0,0]=2 35 B11R1.7 CN=S(C)(=O)C1=CC=CC=C1 8669-1-1A [1,1,0,0,0,0|1,0,1]=4 36 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 1700-B-X4 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.7 FC(F)(CCl)C1=CC=CC=C1 1700-7-0K [1,1,0,0,0,0|2,0,0]=4 38 B11R1.7 NCC(F)(F)C1=CC=CC=C1 3630-3-51 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 4756-5-16 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.22 CC1=CC=C(C(O)CN)C=C1 4756-5-0A [1,1,0,0,0,0|1,0,0]=3 41 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 4756-1-RV [1,1,0,0,0,0|2,0,0]=4 42 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 4648-5-0U [1,1,0,0,0,0|1,0,1]=4 43 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 4656-9-S3 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 2604-5-R1 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Cl)C=C1 3637-5-12 [1,1,0,0,0,0|0,0,2]=4 46 B11R1.23 CC(C=O)C1=CC(Br)=CC=C1 2615-9-0J [1,1,0,0,0,0|1,0,1]=4 47 B11R1.23 CC1=CC(C(N)CO)=CC=C1 4656-1-8V [1,1,0,0,0,0|2,0,0]=4 48 B11R1.23 CNC(=O)C1=CC(Cl)=CC=C1 4648-5-2X [1,1,0,0,0,0|1,0,1]=4 49 B11R1.23 NCC(O)C1=CC=CC(Br)=C1 4H47-D-00 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 4656-9-R2 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 4656-3-R7 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 4656-3-S7 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.222 CC1=CC=CC=C1C(N)CO 4656-1-8W [1,1,0,0,0,0|2,0,0]=4 54 B11R1.222 CCC(=O)C1=CC=CC=C1Cl 2617-5-31 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.222 NC(CO)C1=CC=CC=C1F 4656-3-C9 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.222 NCC(O)C1=CC=CC=C1Br 4656-D-0B [1,1,0,0,0,0|1,0,0]=3 57 B11R1.222 NCC(O)C1=CC=CC=C1F 4656-7-0S [1,1,0,0,0,0|1,0,0]=3 58 B11R1.1 C=CCCC1=CC=C(Br)C=C1 1900-9-X3 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 1900-5-15 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.1 CCCOC1=CC=C(Cl)C=C1 2607-5-25 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.1 CCCSC1=CC=C(O)C=C1 6666-1-0W [1,1,0,0,0,0|2,0,0]=4 62 B11R1.1 COCOC1=CC=C(Cl)C=C1 2608-5-0E [1,1,0,0,0,0|2,0,0]=4 63 B11R1.17 CCCOC1=CC=CC=C1N 4656-1-5B [1,1,0,0,0,0|2,0,0]=4 64 B11R1.17 CCNCC1=C(O)C=CC=C1 4631-1-19 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.17 COCOC1=C(Cl)C=CC=C1 2608-5-0K [1,1,0,0,0,0|2,0,0]=4 66 B11R1.17 COCOC1=C(O)C=CC=C1 2608-1-1F [1,1,0,0,0,0|2,0,0]=4 67 B11R1.24 C=CCCC1=CC=CC(Br)=C1 1900-9-04 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.24 CCCOC1=CC(Cl)=CC=C1 2607-5-2C [1,1,0,0,0,0|2,0,0]=4 69 B11R1.24 CCCOC1=CC(O)=CC=C1 2607-1-2C [1,1,0,0,0,0|2,0,0]=4 70 B11R1.24 CCCSC1=CC(O)=CC=C1 6666-1-1G [1,1,0,0,0,0|2,0,0]=4 71 B11R1.24 CCNCC1=CC=CC(F)=C1 3H31-3-0R [1,1,0,0,0,0|2,0,0]=4 72 B11R1.24 COCOC1=CC=CC(O)=C1 2608-1-0X [1,1,0,0,0,0|2,0,0]=4 73 B11R1.24 O=CCCC1=CC(Br)=CC=C1 2615-9-42 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.28 N#CCOCC1=CC=CC=C1 4637-1-1L [1,1,0,0,0,0|2,0,0]=4 75 B11R1.28 OCCCCC1=CC=CC=N1 4H01-1-B5 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.40 CNC(=O)OC1=CC=CC=C1 4656-1-7R [1,1,0,0,0,0|1,0,1]=4 77 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 3632-5-S0 [0,1,0,0,0,1|1,0,0]=3 78 B13R1.532 COC(=O)C(CN)C1=CC=CC=C1 4658-5-42 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.532 COC(=O)[C@H](OC)C1=CC=CC=C1 2623-1-R1 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.17 C#CCN[C@@H](C)C1=CC=C(Br)C=C1 3631-9-S8 [0,2,0,0,0,0|1,0,1]=4 81 B13R1.21 COC(=O)C(C)C1=CC=C(C)C=C1 2723-1-2B [0,2,0,0,0,0|1,0,1]=4 82 B13R1.18 C#CCN[C@@H](C)C1=CC=CC(Br)=C1 3631-9-S7 [0,2,0,0,0,0|1,0,1]=4 83 B13R1.18 CCNCC(O)C1=CC=CC(O)=C1 4656-5-0S [0,2,0,0,0,0|1,0,0]=3 84 B13R1.147 CC(CC(=O)O)C1=CC=CC(O)=C1 2629-1-1T [0,2,0,0,0,0|2,0,0]=4 85 B13R1.11 COC(=O)CC(O)C1=CC=CC=C1 2629-1-3Y [0,2,0,0,0,0|2,0,0]=4 86 B13R1.45 CN(C)CCC(O)C1=CN=CC=C1 4H56-1-04N [0,2,0,0,0,0|2,0,0]=4 87 B13R1.674 C#CCN[C@@H](C)C1=CC=CC=C1Br 3631-9-S6 [0,2,0,0,0,0|1,0,1]=4 88 B11R2.1 C=C1CCC2=CC=CC=C12 1700-1-70 [1,0,0,1,0,0|0,0,2]=4 89 B11R2.1 NC1CCC2=CC=CN=C21 3H30-1-VW [1,0,0,1,0,0|2,0,0]=4 90 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3630-5-34 [1,0,0,1,0,0|0,0,0]=2 91 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3632-5-07 [1,0,0,1,0,0|0,0,0]=2 92 B11R2.40 CC1(C2=CC=CC=C2)CN1 3631-1-07 [1,0,0,1,0,0|0,0,0]=2 93 B11R2.40 CC1(C2=CC=NN=C2)CC1 3H30-5-7G [1,0,0,1,0,0|2,0,0]=4 94 B11R2.40 NC1(C2=CC=CC=N2)CC1 3H30-1-0B [1,0,0,1,0,0|2,0,0]=4 95 B11R2.40 NC1(C2=CC=CN=C2)CC1 3H30-5-6V [1,0,0,1,0,0|2,0,0]=4 96 B11R2.239 C1=CC=C(C2CNC2)N=C1 3H31-5-3Q [1,0,0,1,0,0|1,0,0]=3 97 B11R2.988 NCC1CC2=CC=CC=C21 3630-1-0F [1,0,0,1,0,0|0,0,0]=2 98 B11R2.2 C1=CN(C2CCNC2)N=C1 3H31-5-4T [0,0,0,1,1,0|2,0,0]=4 99 B11R2.106 CC1CNCC2=CC=NN21 3H31-1-5B [0,0,0,1,1,0|2,0,0]=4 100 B13R2.15 O[C@@H]1CNCC1C2=CC=CC=C2 4H22-1-58 [0,0,0,1,0,1|1,0,0]=3 101 B13R2.64 C1=CN=C(OC2CCCC2)C=C1 4H07-1-6H [0,0,0,1,0,1|2,0,0]=4 102 B13R2.221 CC1(OC2=CC=CC=C2)CNC1 4H56-5-DS [0,0,0,1,0,1|0,0,0]=2 103 B13R2.1 CNCC1=CNC2=CC=CC=C12 3H31-1-84 [0,1,0,1,0,0|0,0,2]=4 104 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 4H56-5-RG [0,1,0,1,0,0|1,0,0]=3 105 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 4H56-5-SG [0,1,0,1,0,0|1,0,0]=3 106 B13R2.3 C1=CN=C(C2CCCCN2)C=C1 3H31-5-8W [0,1,0,1,0,0|2,0,0]=4 107 B13R2.3 C1=CN=C(C2CCCNC2)C=C1 3H31-5-8U [0,1,0,1,0,0|1,0,0]=3 108 B13R2.3 C1=CN=C(C2CCCNC2)C=N1 3H31-5-8V [0,1,0,1,0,0|2,0,0]=4 109 B13R2.3 C1=CN=C(C2CCNCC2)C=N1 3H31-5-8T [0,1,0,1,0,0|2,0,0]=4 110 B13R2.3 C1=CN=C([C@@H]2CCCCN2)C=C1 3H31-5-SJ [0,1,0,1,0,0|2,0,0]=4 111 B13R2.3 C1=CN=CC(C2CCCNC2)=C1 3H31-5-8G [0,1,0,1,0,0|1,0,0]=3 112 B13R2.3 C1=CN=CC(C2COCCN2)=C1 4H56-1-CL [0,1,0,1,0,0|2,0,0]=4 113 B13R2.1613 NCC1CCCC2=CC=CC=C21 4H22-1-0D [0,1,0,1,0,0|1,0,0]=3 114 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 4H56-1-175 [0,1,0,1,0,0|1,0,0]=3 115 B13R2.2539 OCC1(C2=CC=CC=C2)COC1 2H10-1-88 [0,1,0,1,0,0|1,0,0]=3 116 B13R2.12 BrC1=CC=C(C2CCCO2)C=C1 2H07-9-00 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.12 FC1=CC=C(C2CCNC2)C=C1 3H31-3-Y8 [0,1,0,1,0,0|0,0,0]=2 118 B13R2.12 FC1=CC=C([C@@H]2CCNC2)C=C1 3H31-3-S3 [0,1,0,1,0,0|0,0,0]=2 119 B13R2.12 FC1=CC=C([C@H]2CCNC2)C=C1 3H31-3-R3 [0,1,0,1,0,0|0,0,0]=2 120 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 2617-9-30 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.520 NC(C1=CC=C(Br)C=C1)C2CC2 3630-9-12 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.520 NC(C1=CC=C(Cl)C=C1)C2CC2 3630-5-23 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.520 NC(C1=CC=C(F)C=C1)C2CC2 3630-3-70 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.2986 CC1(C2=CC=C(Br)C=C2)COC1 2H10-9-37 [0,1,0,1,0,0|1,0,0]=3 125 B13R2.2986 NC1(C2=CC=C(F)C=C2)COC1 4656-3-1S [0,1,0,1,0,0|2,0,0]=4 126 B13R2.2986 NC1(C2=CC=C(F)C=C2)COC1 4H30-7-X2 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.2986 OC1(C2=CC=C(F)C=C2)COC1 2607-3-8G [0,1,0,1,0,0|2,0,0]=4 128 B13R2.2987 CC1(C2=CC=C(F)C=C2)CC1N 3730-7-14 [0,1,0,1,0,0|2,0,0]=4 129 B13R2.5179 NC1CCCC2=CC(F)=CC=C21 3730-7-11 [0,1,0,1,0,0|2,0,0]=4 130 B13R2.5179 NC1CCCC2=CC(F)=CC=C21 3H30-3-94 [0,1,0,1,0,0|2,0,0]=4 131 B13R2.5179 N[C@@H]1CCCC2=CC(F)=CC=C21 3730-7-R1 [0,1,0,1,0,0|2,0,0]=4 132 B13R2.5179 N[C@@H]1CCCC2=CC(F)=CC=C21 3H30-3-0B [0,1,0,1,0,0|2,0,0]=4 133 B13R2.5179 N[C@H]1CCCC2=CC(F)=CC=C21 3730-7-S1 [0,1,0,1,0,0|2,0,0]=4 134 B13R2.5179 N[C@H]1CCCC2=CC(F)=CC=C21 3H30-3-S2 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.162 CN1CCCC2=CC=C(N)C=C21 3H33-5-0M [0,1,0,1,0,0|2,0,0]=4 136 B13R2.342 NC1CCCC2=C(F)C=CC=C21 3630-3-0P [0,1,0,1,0,0|2,0,0]=4 137 B13R2.3018 CC1(C2=CC=CC(Br)=C2)COC1 2H10-9-46 [0,1,0,1,0,0|1,0,0]=3 138 B13R2.3018 NC1(C2=CC=CC(Br)=C2)COC1 4H30-D-01 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 3630-5-S0 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.45 CN[C@H]1CC2=CC=CC=C2[C@@H]1O 4656-1-0L [0,1,0,1,0,0|1,0,0]=3 141 B13R2.3201 CC1(C)NC1(C)C2=CC=CC=C2 3631-1-00 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.18 CC1=CC=CC=C1C2CCCN2 3H31-1-48 [0,1,0,1,0,0|2,0,0]=4 143 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)C1 2617-5-39 [0,1,0,1,0,0|2,0,0]=4 144 B13R3.6977 C1=CC=C(C23CC(C2)C3)C=C1 1700-1-60 [0,0,0,2,0,0|1,0,0]=3 145 B9R1.11 CNC(C)C1=COC=C1 4H31-1-1Y [1,0,0,0,1,0|1,0,0]=3 146 B9R1.11 NCC(O)C1=CC=CO1 4H30-1-T0 [1,0,0,0,1,0|2,0,0]=4