0 B11R2.4 BrC1CC1c2ccccc2 1P00CRS3 [0,0,0,0,0,0|1,0,0]=1 1 B11R2.4 Br[C@@H]1C[C@H]1c2ccccc2 1P01BA83 [0,0,0,0,0,0|1,0,0]=1 2 B11R2.4 CC1CC1c2ccccc2 1P00QGSY [0,0,0,0,0,0|1,0,0]=1 3 B11R2.4 CC1CC1c2ccncc2 1P01EYE6 [0,0,0,0,0,0|2,0,0]=2 4 B11R2.4 CC1NC1c2ccccc2 1P005T2D [0,0,0,0,0,0|2,0,0]=2 5 B11R2.4 CN1C[C@@H]1c2ccccc2 1P01EJ8O [0,0,0,0,0,0|2,0,0]=2 6 B11R2.4 CN1C[C@H]1c2ccccc2 1P01EJ96 [0,0,0,0,0,0|2,0,0]=2 7 B11R2.4 NC1CC1c2ccccc2 1P00E0CT [0,0,0,0,0,0|0,0,0]=0 8 B11R2.4 NC1CC1c2ccccc2 1P00EKHZ [0,0,0,0,0,0|0,0,0]=0 9 B11R2.4 N[C@@H]1C[C@@H]1c2ccccc2 1P01JUMX [0,0,0,0,0,0|0,0,0]=0 10 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P002C46 [0,0,0,0,0,0|0,0,0]=0 11 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P0036EW [0,0,0,0,0,0|0,0,0]=0 12 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 1P009AYV [0,0,0,0,0,0|0,0,0]=0 13 B11R2.4 N[C@H]1CC1c2ccccc2 1P00DK73 [0,0,0,0,0,0|0,0,0]=0 14 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 1P003AUO [0,0,0,0,0,0|0,0,0]=0 15 B11R2.4 N[C@H]1C[C@@H]1c2cccnc2 1P00JQJ5 [0,0,0,0,0,0|1,0,0]=1 16 B11R2.4 N[C@H]1C[C@H]1c2ccccc2 1P00DDXS [0,0,0,0,0,0|0,0,0]=0 17 B10R2.6 C1CC1c2ccccc2 1P008EMK [1,0,0,0,0,0|0,0,0]=1 18 B10R2.6 C1CC1c2ccncc2 1P01EKJC [1,0,0,0,0,0|1,0,0]=2 19 B10R2.6 N1CC1c2ccccc2 1P001MKW [1,0,0,0,0,0|1,0,0]=2 20 B10R2.6 O1CC1c2ccccc2 1P003632 [1,0,0,0,0,0|1,0,0]=2 21 B10R2.6 O1C[C@@H]1c2ccccc2 1P002JRH [1,0,0,0,0,0|1,0,0]=2 22 B10R2.6 O1C[C@H]1c2ccccc2 1P002JRI [1,0,0,0,0,0|1,0,0]=2 23 B10R2.6 c1ccc(cn1)C2CC2 1P002HZK [1,0,0,0,0,0|1,0,0]=2 24 B10R2.6 c1ccc(cn1)C2CO2 1P00ELQC [1,0,0,0,0,0|2,0,0]=3 25 B10R2.6 c1ccc(nc1)C2CO2 1P018SFL [1,0,0,0,0,0|2,0,0]=3 26 B12R2.27 BrC[C@@H]1C[C@H]1c2ccccc2 1P023T5T [0,1,0,0,0,0|1,0,0]=2 27 B12R2.27 C#C[C@@H]1C[C@H]1c2ccccc2 1P01K0VJ [0,1,0,0,0,0|1,0,0]=2 28 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [0,1,0,0,0,0|0,0,0]=1 29 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [0,1,0,0,0,0|0,0,0]=1 30 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [0,1,0,0,0,0|0,0,0]=1 31 B12R2.27 N#CC1CC1c2ccccc2 1P00I91M [0,1,0,0,0,0|0,0,1]=2 32 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P00DLCK [0,1,0,0,0,0|0,0,1]=2 33 B12R2.27 N#C[C@@H]1C[C@H]1c2ccccc2 1P024KON [0,1,0,0,0,0|0,0,1]=2 34 B12R2.27 NC[C@@H]1C[C@H]1c2ccccc2 1P01C5EC [0,1,0,0,0,0|0,0,0]=1 35 B12R2.27 NC[C@H]1C[C@@H]1c2ccccc2 1P01C5FJ [0,1,0,0,0,0|0,0,0]=1 36 B12R2.27 O=CC1CC1c2ccncc2 1P006PR2 [0,1,0,0,0,0|2,0,0]=3 37 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [0,1,0,0,0,0|1,0,0]=2 38 B12R2.27 OCC1CC1c2ccccc2 1P00IBDY [0,1,0,0,0,0|1,0,0]=2 39 B12R2.27 OCC1OC1c2ccccc2 1P006Z2C [0,1,0,0,0,0|2,0,0]=3 40 B12R2.27 OC[C@@H]1C[C@@H]1c2ccccc2 1P00034F [0,1,0,0,0,0|1,0,0]=2 41 B12R2.27 OC[C@@H]1C[C@H]1c2ccccc2 1P00HAW2 [0,1,0,0,0,0|1,0,0]=2 42 B12R2.37 CC1C(C1N)c2ccccc2 1P028KFB [0,1,0,0,0,0|0,0,0]=1 43 B12R2.79 C[C@@H]1O[C@H]1c2ccc(cc2)Cl 1P0240RJ [0,1,0,0,0,0|2,0,0]=3 44 B12R2.79 NC1CC1c2ccc(cc2)Br 1P009KIN [0,1,0,0,0,0|0,0,0]=1 45 B12R2.79 NC1CC1c2ccc(cc2)F 1P00GXJG [0,1,0,0,0,0|0,0,0]=1 46 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)Br 1P01B80U [0,1,0,0,0,0|0,0,0]=1 47 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)C 1P01C58S [0,1,0,0,0,0|0,0,0]=1 48 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01B802 [0,1,0,0,0,0|0,0,0]=1 49 B12R2.79 N[C@@H]1C[C@H]1c2ccc(cc2)F 1P00HSX8 [0,1,0,0,0,0|0,0,0]=1 50 B12R2.79 N[C@@H]1C[C@H]1c2ccc(nc2)F 1P028L2E [0,1,0,0,0,0|1,0,0]=2 51 B12R2.79 N[C@@H]1C[C@H]1c2ccc(nc2)F 1P028L4D [0,1,0,0,0,0|1,0,0]=2 52 B12R2.79 N[C@H]1C[C@@H]1c2ccc(cc2)F 1P002CCH [0,1,0,0,0,0|0,0,0]=1 53 B12R2.79 N[C@H]1C[C@@H]1c2ccc(cc2)O 1P009QWY [0,1,0,0,0,0|0,0,0]=1 54 B12R2.79 N[C@H]1C[C@@H]1c2ccc(nc2)Br 1P00ILI8 [0,1,0,0,0,0|1,0,0]=2 55 B12R2.80 Br[C@@H]1C[C@H]1c2cccc(c2)Cl 1P028EXQ [0,1,0,0,0,0|1,0,0]=2 56 B12R2.80 Br[C@@H]1C[C@H]1c2cccc(c2)F 1P01BG41 [0,1,0,0,0,0|1,0,0]=2 57 B12R2.80 CC1CC1c2nccc(=O)[nH]2 1P01C4C7 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.80 CC1CC1c2nccc(n2)N 1P01BG47 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.80 F[C@@H]1C[C@H]1c2cccc(c2)O 1P028WNO [0,1,0,0,0,0|1,0,0]=2 60 B12R2.80 F[C@H]1C[C@H]1c2cccc(c2)O 1P027Z92 [0,1,0,0,0,0|1,0,0]=2 61 B12R2.80 NC1CC1c2cccc(c2)Br 1P01AH3C [0,1,0,0,0,0|0,0,0]=1 62 B12R2.80 NC1CC1c2cccc(c2)Cl 1P003ANK [0,1,0,0,0,0|0,0,0]=1 63 B12R2.80 NC1CC1c2cccc(c2)Cl 1P019EF0 [0,1,0,0,0,0|0,0,0]=1 64 B12R2.80 NC1CC1c2cccc(c2)F 1P000PC4 [0,1,0,0,0,0|0,0,0]=1 65 B12R2.80 N[C@@H]1C[C@H]1c2cccc(c2)Br 1P009YVM [0,1,0,0,0,0|0,0,0]=1 66 B12R2.80 N[C@@H]1C[C@H]1c2cccc(c2)F 1P01BGH8 [0,1,0,0,0,0|0,0,0]=1 67 B12R2.92 CC1(C)NC1c2ccccc2 1P00I4Z8 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.92 CC1(C)OC1c2ccccc2 1P00056M [0,1,0,0,0,0|2,0,0]=3 69 B12R2.92 C[C@@]1(N)C[C@H]1c2ccccc2 1P01AMOG [0,1,0,0,0,0|0,0,0]=1 70 B12R2.92 C[C@@]1(O)C[C@H]1c2ccccc2 1P028NJL [0,1,0,0,0,0|1,0,0]=2 71 B12R2.92 C[C@]1(N)C[C@@H]1c2ccccc2 1P028V4E [0,1,0,0,0,0|0,0,0]=1 72 B12R2.92 ClC1(Cl)CC1c2ccccc2 1P003C12 [0,1,0,0,0,0|1,0,0]=2 73 B12R2.115 BrC1CC1c2ccccc2F 1P0292LD [0,1,0,0,0,0|1,0,0]=2 74 B12R2.115 NC1CC1c2ccccc2Br 1P01ABGY [0,1,0,0,0,0|0,0,0]=1 75 B12R2.115 NC1CC1c2ccccc2F 1P01AH4Q [0,1,0,0,0,0|0,0,0]=1 76 B12R2.115 N[C@@H]1C[C@@H]1c2ccccc2F 1P024KHM [0,1,0,0,0,0|0,0,0]=1 77 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2C 1P01B80J [0,1,0,0,0,0|0,0,0]=1 78 B12R2.115 N[C@@H]1C[C@H]1c2ccccc2Cl 1P01B818 [0,1,0,0,0,0|0,0,0]=1 79 B12R2.235 NC1CC1(C)c2ccccc2 1P01ALHJ [0,1,0,0,0,0|0,0,0]=1 80 B12R2.235 NC1CC1(F)c2ccccc2 1P01C4GI [0,1,0,0,0,0|0,0,0]=1 81 B10R1.15 *CC(c1ccccc1)* 1P0035YN [0,0,1,0,0,0|2,0,0]=3 82 B10R1.15 BrC(c1ccccc1)C#N 1P00EJ05 [0,0,1,0,0,0|1,0,2]=4 83 B10R1.15 BrCC(=C)c1ccccc1 1P00BYL9 [0,0,1,0,0,0|1,0,2]=4 84 B10R1.15 BrCC(=O)c1ccccc1 1P0033MP [0,0,1,0,0,0|2,0,1]=4 85 B10R1.15 BrCC(c1ccccc1)Br 1P0062LT [0,0,1,0,0,0|2,0,0]=3 86 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [0,0,1,0,0,0|1,0,0]=2 87 B10R1.15 BrCC(c1ccccc1)F 1P0026N2 [0,0,1,0,0,0|2,0,0]=3 88 B10R1.15 BrCC(c1ccccc1)O 1P00C2FF [0,0,1,0,0,0|2,0,0]=3 89 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [0,0,1,0,0,0|1,0,0]=2 90 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [0,0,1,0,0,0|1,0,0]=2 91 B10R1.15 C=CC(c1ccccc1)Cl 1P003VS1 [0,0,1,0,0,0|2,0,1]=4 92 B10R1.15 C=CC(c1ccccc1)Cl 1P00DC4E [0,0,1,0,0,0|2,0,1]=4 93 B10R1.15 C=CC(c1ccccc1)N 1P00IWY6 [0,0,1,0,0,0|2,0,1]=4 94 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [0,0,1,0,0,0|2,0,1]=4 95 B10R1.15 C=C[C@@H](c1ccccc1)N 1P01KKJG [0,0,1,0,0,0|2,0,1]=4 96 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KK9A [0,0,1,0,0,0|2,0,1]=4 97 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KKHY [0,0,1,0,0,0|2,0,1]=4 98 B10R1.15 CC(c1ccccc1)C#C 1P00DBLO [0,0,1,0,0,0|1,0,1]=3 99 B10R1.15 CC(c1ccccc1)C#N 1P00242Z [0,0,1,0,0,0|0,0,2]=3 100 B10R1.15 CC(c1ccccc1)[N+]#[C-] 1P001Z7Z [0,0,1,0,0,0|2,0,0]=3 101 B10R1.15 CC(c1ccncc1)C#N 1P019U6H [0,0,1,0,0,0|1,0,2]=4 102 B10R1.15 CC(c1cnccn1)CN 1P018SI7 [0,0,1,0,0,0|2,0,0]=3 103 B10R1.15 CC(c1cnccn1)CO 1P0287C3 [0,0,1,0,0,0|3,0,0]=4 104 B10R1.15 CC=C(c1ccccc1)C 1P002K1A [0,0,1,0,0,0|1,0,2]=4 105 B10R1.15 CCC(=C)c1ccccc1 1P0029NW [0,0,1,0,0,0|1,0,2]=4 106 B10R1.15 CCC(=O)c1ccccc1 1P003UGA [0,0,1,0,0,0|2,0,1]=4 107 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [0,0,1,0,0,0|2,0,0]=3 108 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [0,0,1,0,0,0|1,0,0]=2 109 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [0,0,1,0,0,0|2,0,0]=3 110 B10R1.15 CCC(c1ccccc1)N 1P003F3H [0,0,1,0,0,0|2,0,0]=3 111 B10R1.15 CCC(c1ccccc1)S 1P01A000 [0,0,1,0,0,0|2,0,0]=3 112 B10R1.15 CCC(c1ccccn1)N 1P0001KW [0,0,1,0,0,0|3,0,0]=4 113 B10R1.15 CCC(c1ccccn1)N 1P00J25M [0,0,1,0,0,0|3,0,0]=4 114 B10R1.15 CCC(c1cccnc1)N 1P000K5S [0,0,1,0,0,0|3,0,0]=4 115 B10R1.15 CCC(c1cccnc1)N 1P003DEE [0,0,1,0,0,0|3,0,0]=4 116 B10R1.15 CCC(c1ccncc1)N 1P00EEVC [0,0,1,0,0,0|3,0,0]=4 117 B10R1.15 CCC(c1ccncc1)N 1P01JV71 [0,0,1,0,0,0|3,0,0]=4 118 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [0,0,1,0,0,0|2,0,0]=3 119 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [0,0,1,0,0,0|2,0,0]=3 120 B10R1.15 CC[C@@H](c1ccncc1)N 1P00BBD4 [0,0,1,0,0,0|3,0,0]=4 121 B10R1.15 CC[C@@H](c1ccncc1)N 1P00HVU4 [0,0,1,0,0,0|3,0,0]=4 122 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [0,0,1,0,0,0|2,0,0]=3 123 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [0,0,1,0,0,0|2,0,0]=3 124 B10R1.15 CC[C@H](c1ccccn1)N 1P00BHR3 [0,0,1,0,0,0|3,0,0]=4 125 B10R1.15 CC[C@H](c1ccccn1)N 1P00HRY0 [0,0,1,0,0,0|3,0,0]=4 126 B10R1.15 CC[C@H](c1ccncc1)N 1P00HRY1 [0,0,1,0,0,0|3,0,0]=4 127 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [0,0,1,0,0,0|2,0,0]=3 128 B10R1.15 CNC(c1ccccc1)C 1P00C63A [0,0,1,0,0,0|2,0,0]=3 129 B10R1.15 CNC(c1ccccn1)C 1P008W2I [0,0,1,0,0,0|3,0,0]=4 130 B10R1.15 CNC(c1ccccn1)C 1P00J3U5 [0,0,1,0,0,0|3,0,0]=4 131 B10R1.15 CNC(c1ccccn1)C 1P019VP7 [0,0,1,0,0,0|3,0,0]=4 132 B10R1.15 CNC(c1cccnc1)C 1P008VWL [0,0,1,0,0,0|3,0,0]=4 133 B10R1.15 CNC(c1cccnc1)C 1P00J3UA [0,0,1,0,0,0|3,0,0]=4 134 B10R1.15 CNC(c1cccnc1)C 1P019VP6 [0,0,1,0,0,0|3,0,0]=4 135 B10R1.15 CNC(c1ccncc1)C 1P001RII [0,0,1,0,0,0|3,0,0]=4 136 B10R1.15 CNC(c1ccncc1)C 1P00J3HT [0,0,1,0,0,0|3,0,0]=4 137 B10R1.15 CNC(c1ccncc1)C 1P00J3UG [0,0,1,0,0,0|3,0,0]=4 138 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [0,0,1,0,0,0|2,0,0]=3 139 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [0,0,1,0,0,0|2,0,0]=3 140 B10R1.15 CN[C@@H](c1cccnc1)C 1P01FKUY [0,0,1,0,0,0|3,0,0]=4 141 B10R1.15 CN[C@@H](c1ccncc1)C 1P0281L9 [0,0,1,0,0,0|3,0,0]=4 142 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [0,0,1,0,0,0|2,0,0]=3 143 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [0,0,1,0,0,0|2,0,0]=3 144 B10R1.15 CN[C@H](c1cccnc1)C 1P01FKUX [0,0,1,0,0,0|3,0,0]=4 145 B10R1.15 CN[C@H](c1ccncc1)C 1P01FKUZ [0,0,1,0,0,0|3,0,0]=4 146 B10R1.15 CN[C@H](c1ccncc1)C 1P024UA1 [0,0,1,0,0,0|3,0,0]=4 147 B10R1.15 ClCC(c1ccccc1)Cl 1P008Z16 [0,0,1,0,0,0|2,0,0]=3 148 B10R1.15 ClCS(=O)c1ccccc1 1P003BRN [0,0,1,0,0,0|3,0,0]=4 149 B10R1.15 ClC[C@@H](c1ccccc1)O 1P003CPP [0,0,1,0,0,0|2,0,0]=3 150 B10R1.15 ClC[C@H](c1ccccc1)O 1P003CX6 [0,0,1,0,0,0|2,0,0]=3 151 B10R1.15 FC(c1ccccc1)C#N 1P01ACVI [0,0,1,0,0,0|1,0,2]=4 152 B10R1.15 FCC(=O)c1ccccc1 1P00I8Y0 [0,0,1,0,0,0|2,0,1]=4 153 B10R1.15 FCC(c1ccccc1)Cl 1P028D0I [0,0,1,0,0,0|2,0,0]=3 154 B10R1.15 FCC(c1ccccc1)N 1P01BHNS [0,0,1,0,0,0|2,0,0]=3 155 B10R1.15 FCC(c1ccccc1)O 1P00DZT3 [0,0,1,0,0,0|2,0,0]=3 156 B10R1.15 FC[C@@H](c1ccccc1)N 1P01DFLZ [0,0,1,0,0,0|2,0,0]=3 157 B10R1.15 FC[C@@H](c1ccccc1)O 1P0290ZI [0,0,1,0,0,0|2,0,0]=3 158 B10R1.15 FC[C@H](c1ccccc1)N 1P019F2G [0,0,1,0,0,0|2,0,0]=3 159 B10R1.15 FC[C@H](c1ccccc1)O 1P023OF9 [0,0,1,0,0,0|2,0,0]=3 160 B10R1.15 NC(c1ccccc1)C#C 1P01BGT7 [0,0,1,0,0,0|2,0,1]=4 161 B10R1.15 NC(c1ccccc1)C#N 1P00AMGH [0,0,1,0,0,0|1,0,2]=4 162 B10R1.15 NCC(=C)c1ccccc1 1P019VHO [0,0,1,0,0,0|0,0,2]=3 163 B10R1.15 NCC(=O)c1ccccc1 1P007ACW [0,0,1,0,0,0|1,0,1]=3 164 B10R1.15 NCC(=O)c1ccccc1 1P00IA8E [0,0,1,0,0,0|1,0,1]=3 165 B10R1.15 NCC(=O)c1ccccn1 1P00DIEH [0,0,1,0,0,0|2,0,1]=4 166 B10R1.15 NCC(=O)c1cccnc1 1P00DFSO [0,0,1,0,0,0|2,0,1]=4 167 B10R1.15 NCC(=O)c1ccncc1 1P00DIEI [0,0,1,0,0,0|2,0,1]=4 168 B10R1.15 NCC(c1ccccc1)F 1P01ADJT [0,0,1,0,0,0|1,0,0]=2 169 B10R1.15 NCC(c1ccccc1)F 1P01AFLW [0,0,1,0,0,0|1,0,0]=2 170 B10R1.15 NCC(c1ccccc1)N 1P001X54 [0,0,1,0,0,0|1,0,0]=2 171 B10R1.15 NCC(c1ccccc1)N 1P00EC97 [0,0,1,0,0,0|1,0,0]=2 172 B10R1.15 NCC(c1ccccc1)O 1P003GT0 [0,0,1,0,0,0|1,0,0]=2 173 B10R1.15 NCC(c1ccccn1)O 1P00GSPR [0,0,1,0,0,0|2,0,0]=3 174 B10R1.15 NCC(c1ccccn1)O 1P00H3HR [0,0,1,0,0,0|2,0,0]=3 175 B10R1.15 NCC(c1ccccn1)O 1P019LWP [0,0,1,0,0,0|2,0,0]=3 176 B10R1.15 NCC(c1cccnc1)O 1P006JYO [0,0,1,0,0,0|2,0,0]=3 177 B10R1.15 NCC(c1cccnc1)O 1P009SDI [0,0,1,0,0,0|2,0,0]=3 178 B10R1.15 NCC(c1cccnc1)O 1P00J1VN [0,0,1,0,0,0|2,0,0]=3 179 B10R1.15 NCC(c1ccncc1)C 1P019ULY [0,0,1,0,0,0|1,0,0]=2 180 B10R1.15 NCC(c1ccncc1)C 1P028YSF [0,0,1,0,0,0|1,0,0]=2 181 B10R1.15 NCC(c1ccncc1)O 1P00IGKE [0,0,1,0,0,0|2,0,0]=3 182 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [0,0,1,0,0,0|0,0,0]=1 183 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [0,0,1,0,0,0|0,0,0]=1 184 B10R1.15 NC[C@@H](c1ccccc1)O 1P003BFB [0,0,1,0,0,0|1,0,0]=2 185 B10R1.15 NC[C@@H](c1ccccc1)O 1P00AQ4Y [0,0,1,0,0,0|1,0,0]=2 186 B10R1.15 NC[C@@H](c1cccnc1)O 1P007FVE [0,0,1,0,0,0|2,0,0]=3 187 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [0,0,1,0,0,0|0,0,0]=1 188 B10R1.15 NC[C@H](c1ccccc1)F 1P01ALUF [0,0,1,0,0,0|1,0,0]=2 189 B10R1.15 NC[C@H](c1ccccc1)O 1P003CUG [0,0,1,0,0,0|1,0,0]=2 190 B10R1.15 NC[C@H](c1cccnc1)O 1P001H7V [0,0,1,0,0,0|2,0,0]=3 191 B10R1.15 NNC(=N)c1ccccc1 1P002X41 [0,0,1,0,0,0|2,0,1]=4 192 B10R1.15 NNC(=O)c1ccccc1 1P003OJR [0,0,1,0,0,0|2,0,1]=4 193 B10R1.15 NNC(=S)c1ccccc1 1P002AZ4 [0,0,1,0,0,0|2,0,1]=4 194 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [0,0,1,0,0,0|1,0,0]=2 195 B10R1.15 NNC(c1ccncc1)C 1P01C4JV [0,0,1,0,0,0|2,0,0]=3 196 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [0,0,1,0,0,0|1,0,0]=2 197 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [0,0,1,0,0,0|1,0,0]=2 198 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [0,0,1,0,0,0|1,0,0]=2 199 B10R1.15 NO[C@@H](c1ccccn1)C 1P01FJMV [0,0,1,0,0,0|2,0,0]=3 200 B10R1.15 NO[C@@H](c1ccncc1)C 1P028PT8 [0,0,1,0,0,0|2,0,0]=3 201 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [0,0,1,0,0,0|1,0,0]=2 202 B10R1.15 NO[C@H](c1ccccn1)C 1P028T37 [0,0,1,0,0,0|2,0,0]=3 203 B10R1.15 NO[C@H](c1ccncc1)C 1P028JYV [0,0,1,0,0,0|2,0,0]=3 204 B10R1.15 N[C@@H](c1ccccc1)C#C 1P028XYR [0,0,1,0,0,0|2,0,1]=4 205 B10R1.15 N[C@@H](c1ccccc1)C#N 1P003IC6 [0,0,1,0,0,0|1,0,2]=4 206 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [0,0,1,0,0,0|1,0,1]=3 207 B10R1.15 O=CN(c1ccccc1)C 1P003TOE [0,0,1,0,0,0|2,0,1]=4 208 B10R1.15 O=NN(c1ccccc1)C 1P003TPQ [0,0,1,0,0,0|3,0,0]=4 209 B10R1.15 OC(c1ccccc1)C#C 1P003F2P [0,0,1,0,0,0|2,0,1]=4 210 B10R1.15 OC(c1ccccc1)C#N 1P0035L5 [0,0,1,0,0,0|1,0,2]=4 211 B10R1.15 OCC(=C)c1ccccc1 1P0036LP [0,0,1,0,0,0|1,0,2]=4 212 B10R1.15 OCC(=O)c1ccccc1 1P003HVU [0,0,1,0,0,0|2,0,1]=4 213 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [0,0,1,0,0,0|1,0,0]=2 214 B10R1.15 OCC(c1ccccc1)N 1P003Q9L [0,0,1,0,0,0|2,0,0]=3 215 B10R1.15 OCC(c1ccccc1)O 1P00IHWP [0,0,1,0,0,0|2,0,0]=3 216 B10R1.15 OCC(c1ccccn1)C 1P01C4B7 [0,0,1,0,0,0|2,0,0]=3 217 B10R1.15 OCC(c1ccccn1)N 1P003GT3 [0,0,1,0,0,0|3,0,0]=4 218 B10R1.15 OCC(c1ccccn1)O 1P0285SM [0,0,1,0,0,0|3,0,0]=4 219 B10R1.15 OCC(c1cccnc1)N 1P0092VK [0,0,1,0,0,0|3,0,0]=4 220 B10R1.15 OCC(c1ccncc1)N 1P00171M [0,0,1,0,0,0|3,0,0]=4 221 B10R1.15 OCC(c1ccncc1)O 1P01C10Y [0,0,1,0,0,0|3,0,0]=4 222 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [0,0,1,0,0,0|1,0,0]=2 223 B10R1.15 OC[C@@H](c1ccccc1)N 1P0032U7 [0,0,1,0,0,0|2,0,0]=3 224 B10R1.15 OC[C@@H](c1ccccc1)O 1P001UOQ [0,0,1,0,0,0|2,0,0]=3 225 B10R1.15 OC[C@@H](c1ccccn1)N 1P01EMUX [0,0,1,0,0,0|3,0,0]=4 226 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [0,0,1,0,0,0|1,0,0]=2 227 B10R1.15 OC[C@H](c1ccccc1)N 1P0032WQ [0,0,1,0,0,0|2,0,0]=3 228 B10R1.15 OC[C@H](c1ccccc1)N 1P01KLDI [0,0,1,0,0,0|2,0,0]=3 229 B10R1.15 OC[C@H](c1ccccc1)O 1P003CWM [0,0,1,0,0,0|2,0,0]=3 230 B10R1.15 OC[C@H](c1ccccn1)N 1P01DWC6 [0,0,1,0,0,0|3,0,0]=4 231 B10R1.15 OC[C@H](c1cccnc1)N 1P01X9M9 [0,0,1,0,0,0|3,0,0]=4 232 B10R1.15 OC[C@H](c1ccncc1)N 1P01KKX4 [0,0,1,0,0,0|3,0,0]=4 233 B10R1.15 ON=C(c1ccccc1)C 1P00DMUA [0,0,1,0,0,0|2,0,1]=4 234 B10R1.15 ONC(c1ccccc1)C 1P002XUP [0,0,1,0,0,0|2,0,0]=3 235 B10R1.15 O[C@@H](c1ccccc1)C#C 1P003COU [0,0,1,0,0,0|2,0,1]=4 236 B10R1.15 O[C@H](c1ccccc1)C#C 1P003D0N [0,0,1,0,0,0|2,0,1]=4 237 B10R1.15 O[C@H](c1ccccc1)C#N 1P0001PU [0,0,1,0,0,0|1,0,2]=4 238 B10R1.15 O\N=C(\c1ccccc1)/C 1P003O45 [0,0,1,0,0,0|2,0,1]=4 239 B10R1.15 SCC(=O)c1ccccc1 1P00BIBD [0,0,1,0,0,0|2,0,1]=4 240 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [0,0,1,0,0,0|1,0,0]=2 241 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [0,0,1,0,0,0|0,0,1]=2 242 B10R1.17 BrCC#Cc1ccccc1 1P01FEYM [0,0,1,0,0,0|1,0,2]=4 243 B10R1.17 BrCCCc1ccccc1 1P003EL3 [0,0,1,0,0,0|1,0,0]=2 244 B10R1.17 BrCCCc1cccnc1 1P00C9QQ [0,0,1,0,0,0|2,0,0]=3 245 B10R1.17 BrCCCc1ccncc1 1P01A6KW [0,0,1,0,0,0|2,0,0]=3 246 B10R1.17 BrCCOc1ccccc1 1P003IB5 [0,0,1,0,0,0|2,0,0]=3 247 B10R1.17 BrCCOc1cccnc1 1P01AG87 [0,0,1,0,0,0|3,0,0]=4 248 B10R1.17 BrCCSc1ccccc1 1P003H8K [0,0,1,0,0,0|2,0,0]=3 249 B10R1.17 BrCOCc1ccccc1 1P0025GN [0,0,1,0,0,0|2,0,0]=3 250 B10R1.17 BrC\C=C\c1ccccc1 1P003PDK [0,0,1,0,0,0|1,0,2]=4 251 B10R1.17 C#CCOc1ccccc1 1P003U5X [0,0,1,0,0,0|2,0,1]=4 252 B10R1.17 C#CCSc1ccccc1 1P003U5Y [0,0,1,0,0,0|2,0,1]=4 253 B10R1.17 C=CCCc1ccccc1 1P003MFS [0,0,1,0,0,0|1,0,1]=3 254 B10R1.17 C=CCCc1ccccn1 1P002M25 [0,0,1,0,0,0|2,0,1]=4 255 B10R1.17 C=CCCc1cccnc1 1P00663U [0,0,1,0,0,0|2,0,1]=4 256 B10R1.17 C=CCNc1ccccc1 1P003T6A [0,0,1,0,0,0|2,0,1]=4 257 B10R1.17 C=CCOc1ccccc1 1P00209R [0,0,1,0,0,0|2,0,1]=4 258 B10R1.17 C=CCSc1ccccc1 1P003O6K [0,0,1,0,0,0|2,0,1]=4 259 B10R1.17 C=COCc1ccccc1 1P003AEJ [0,0,1,0,0,0|2,0,1]=4 260 B10R1.17 C=NOCc1ccccc1 1P027KVW [0,0,1,0,0,0|3,0,0]=4 261 B10R1.17 CCC#Cc1ccccc1 1P001WH0 [0,0,1,0,0,0|1,0,2]=4 262 B10R1.17 CCCC[n+]1ccccc1 1P0029B3 [0,0,1,0,0,0|2,0,0]=3 263 B10R1.17 CCCC[n+]1ccccc1 1P003BI3 [0,0,1,0,0,0|2,0,0]=3 264 B10R1.17 CCCC[n+]1ccccc1 1P003ENE [0,0,1,0,0,0|2,0,0]=3 265 B10R1.17 CCCC[n+]1ccccc1 1P003ENF [0,0,1,0,0,0|2,0,0]=3 266 B10R1.17 CCCC[n+]1ccccc1 1P007726 [0,0,1,0,0,0|2,0,0]=3 267 B10R1.17 CCCC[n+]1ccccc1 1P01IGTS [0,0,1,0,0,0|2,0,0]=3 268 B10R1.17 CCCCc1ccccc1 1P003P2W [0,0,1,0,0,0|1,0,0]=2 269 B10R1.17 CCCCc1ccccn1 1P01FFM0 [0,0,1,0,0,0|2,0,0]=3 270 B10R1.17 CCCCc1cccnc1 1P00343V [0,0,1,0,0,0|2,0,0]=3 271 B10R1.17 CCCCc1ccncc1 1P00I9ZL [0,0,1,0,0,0|2,0,0]=3 272 B10R1.17 CCCNc1ccccc1 1P003TSL [0,0,1,0,0,0|2,0,0]=3 273 B10R1.17 CCCNc1cccnc1 1P019YSP [0,0,1,0,0,0|3,0,0]=4 274 B10R1.17 CCCOc1ccccc1 1P00E98Z [0,0,1,0,0,0|2,0,0]=3 275 B10R1.17 CCCSc1ccccn1 1P01EV41 [0,0,1,0,0,0|3,0,0]=4 276 B10R1.17 CCNCc1ccccc1 1P003TGS [0,0,1,0,0,0|2,0,0]=3 277 B10R1.17 CCNCc1ccccn1 1P003SQR [0,0,1,0,0,0|3,0,0]=4 278 B10R1.17 CCNCc1cccnc1 1P003TH6 [0,0,1,0,0,0|3,0,0]=4 279 B10R1.17 CCNCc1ccncc1 1P003KOX [0,0,1,0,0,0|3,0,0]=4 280 B10R1.17 CCSCc1ccccn1 1P007ETZ [0,0,1,0,0,0|3,0,0]=4 281 B10R1.17 CNCCc1ccccc1 1P003TP4 [0,0,1,0,0,0|2,0,0]=3 282 B10R1.17 CNCCc1ccccc1 1P00CJS7 [0,0,1,0,0,0|2,0,0]=3 283 B10R1.17 CNCCc1ccccn1 1P003OMV [0,0,1,0,0,0|3,0,0]=4 284 B10R1.17 CNCCc1ccccn1 1P003TMX [0,0,1,0,0,0|3,0,0]=4 285 B10R1.17 CNCCc1ccccn1 1P00IAF0 [0,0,1,0,0,0|3,0,0]=4 286 B10R1.17 CNCCc1cccnc1 1P00025V [0,0,1,0,0,0|3,0,0]=4 287 B10R1.17 CNCCc1cccnc1 1P0039D0 [0,0,1,0,0,0|3,0,0]=4 288 B10R1.17 CNCCc1ccncc1 1P0004J6 [0,0,1,0,0,0|3,0,0]=4 289 B10R1.17 CNCCc1ccncc1 1P00D8ZU [0,0,1,0,0,0|3,0,0]=4 290 B10R1.17 CNNCc1ccccc1 1P007YMP [0,0,1,0,0,0|3,0,0]=4 291 B10R1.17 CNNCc1ccccc1 1P01EKFO [0,0,1,0,0,0|3,0,0]=4 292 B10R1.17 CNOCc1ccccc1 1P005PAZ [0,0,1,0,0,0|3,0,0]=4 293 B10R1.17 CNOCc1ccccc1 1P01A29U [0,0,1,0,0,0|3,0,0]=4 294 B10R1.17 COCCc1ccccc1 1P003C4E [0,0,1,0,0,0|2,0,0]=3 295 B10R1.17 COCSc1ccccc1 1P0019FA [0,0,1,0,0,0|3,0,0]=4 296 B10R1.17 CONCc1ccccc1 1P006Y6C [0,0,1,0,0,0|3,0,0]=4 297 B10R1.17 CONCc1ccccc1 1P01A5XA [0,0,1,0,0,0|3,0,0]=4 298 B10R1.17 ClCC#Cc1ccccc1 1P003C8O [0,0,1,0,0,0|1,0,2]=4 299 B10R1.17 ClCC=Cc1ccccc1 1P00BCUF [0,0,1,0,0,0|1,0,2]=4 300 B10R1.17 ClCCCc1ccccc1 1P003BI4 [0,0,1,0,0,0|1,0,0]=2 301 B10R1.17 ClCCCc1ccccn1 1P01A6KY [0,0,1,0,0,0|2,0,0]=3 302 B10R1.17 ClCCCc1cccnc1 1P002L24 [0,0,1,0,0,0|2,0,0]=3 303 B10R1.17 ClCCCc1ccncc1 1P00AKXB [0,0,1,0,0,0|2,0,0]=3 304 B10R1.17 ClCCNc1ccccc1 1P01DXCM [0,0,1,0,0,0|2,0,0]=3 305 B10R1.17 ClCCNc1ccccc1 1P0280C1 [0,0,1,0,0,0|2,0,0]=3 306 B10R1.17 ClCCOc1ccccc1 1P00IBGC [0,0,1,0,0,0|2,0,0]=3 307 B10R1.17 ClCCSc1ccccc1 1P003C3J [0,0,1,0,0,0|2,0,0]=3 308 B10R1.17 ClCOCc1ccccc1 1P0034YY [0,0,1,0,0,0|2,0,0]=3 309 B10R1.17 ClCSCc1ccccc1 1P003OKP [0,0,1,0,0,0|2,0,0]=3 310 B10R1.17 ClC\C=C\c1ccccc1 1P002LHG [0,0,1,0,0,0|1,0,2]=4 311 B10R1.17 ICCCc1ccccc1 1P003EWA [0,0,1,0,0,0|1,0,0]=2 312 B10R1.17 ICCOc1ccccc1 1P00C6JI [0,0,1,0,0,0|2,0,0]=3 313 B10R1.17 N#CCCc1ccccc1 1P003KCJ [0,0,1,0,0,0|0,0,2]=3 314 B10R1.17 N#CCCc1ccccn1 1P00C65K [0,0,1,0,0,0|1,0,2]=4 315 B10R1.17 N#CCCc1ccncc1 1P004YZ0 [0,0,1,0,0,0|1,0,2]=4 316 B10R1.17 N#CCNc1ccccc1 1P00I63F [0,0,1,0,0,0|1,0,2]=4 317 B10R1.17 N#CCOc1ccccc1 1P003U55 [0,0,1,0,0,0|1,0,2]=4 318 B10R1.17 N#CCSc1ccccc1 1P003U6Y [0,0,1,0,0,0|1,0,2]=4 319 B10R1.17 N#CSCc1ccccc1 1P003OLC [0,0,1,0,0,0|1,0,2]=4 320 B10R1.17 NCC#Cc1ccccc1 1P003KC2 [0,0,1,0,0,0|0,0,2]=3 321 B10R1.17 NCC#Cc1cccnc1 1P00582X [0,0,1,0,0,0|1,0,2]=4 322 B10R1.17 NCC#Cc1cccnc1 1P01EN8Z [0,0,1,0,0,0|1,0,2]=4 323 B10R1.17 NCC=Cc1ccccn1 1P028BLD [0,0,1,0,0,0|1,0,2]=4 324 B10R1.17 NCC=Cc1cccnc1 1P01BC7Z [0,0,1,0,0,0|1,0,2]=4 325 B10R1.17 NCCCc1ccccc1 1P0029L7 [0,0,1,0,0,0|0,0,0]=1 326 B10R1.17 NCCCc1ccccn1 1P001OQL [0,0,1,0,0,0|1,0,0]=2 327 B10R1.17 NCCCc1ccccn1 1P01DW4S [0,0,1,0,0,0|1,0,0]=2 328 B10R1.17 NCCCc1cccnc1 1P003IJD [0,0,1,0,0,0|1,0,0]=2 329 B10R1.17 NCCCc1cccnc1 1P00G3KB [0,0,1,0,0,0|1,0,0]=2 330 B10R1.17 NCCCc1cccnc1 1P00GW1W [0,0,1,0,0,0|1,0,0]=2 331 B10R1.17 NCCCc1ccncc1 1P0030W7 [0,0,1,0,0,0|1,0,0]=2 332 B10R1.17 NCCCc1ccncn1 1P028A28 [0,0,1,0,0,0|2,0,0]=3 333 B10R1.17 NCCCc1ccnnc1 1P01DZHV [0,0,1,0,0,0|2,0,0]=3 334 B10R1.17 NCCCc1cnccn1 1P01A20P [0,0,1,0,0,0|2,0,0]=3 335 B10R1.17 NCCCc1cncnc1 1P0083W7 [0,0,1,0,0,0|2,0,0]=3 336 B10R1.17 NCCCc1cncnc1 1P01C52M [0,0,1,0,0,0|2,0,0]=3 337 B10R1.17 NCCCc1nccnc1 1P028JZE [0,0,1,0,0,0|2,0,0]=3 338 B10R1.17 NCCNc1ccccc1 1P001X6L [0,0,1,0,0,0|1,0,0]=2 339 B10R1.17 NCCNc1ccccn1 1P005U60 [0,0,1,0,0,0|2,0,0]=3 340 B10R1.17 NCCNc1cccnc1 1P00EEGU [0,0,1,0,0,0|2,0,0]=3 341 B10R1.17 NCCNc1cccnn1 1P01AAKT [0,0,1,0,0,0|3,0,0]=4 342 B10R1.17 NCCNc1cccnn1 1P01EKLI [0,0,1,0,0,0|3,0,0]=4 343 B10R1.17 NCCNc1ccncc1 1P00ECDE [0,0,1,0,0,0|2,0,0]=3 344 B10R1.17 NCCNc1cnccn1 1P019MGE [0,0,1,0,0,0|3,0,0]=4 345 B10R1.17 NCCNc1ncccn1 1P00141N [0,0,1,0,0,0|3,0,0]=4 346 B10R1.17 NCCNc1ncccn1 1P01B2V0 [0,0,1,0,0,0|3,0,0]=4 347 B10R1.17 NCCOc1ccccc1 1P0021OC [0,0,1,0,0,0|1,0,0]=2 348 B10R1.17 NCCOc1ccccc1 1P0027L1 [0,0,1,0,0,0|1,0,0]=2 349 B10R1.17 NCCOc1ccccn1 1P002YW0 [0,0,1,0,0,0|2,0,0]=3 350 B10R1.17 NCCOc1ccccn1 1P027ZNS [0,0,1,0,0,0|2,0,0]=3 351 B10R1.17 NCCOc1cccnc1 1P0032JP [0,0,1,0,0,0|2,0,0]=3 352 B10R1.17 NCCOc1ccncc1 1P00DK84 [0,0,1,0,0,0|2,0,0]=3 353 B10R1.17 NCCOc1ncccn1 1P024VFV [0,0,1,0,0,0|3,0,0]=4 354 B10R1.17 NCCSc1ccccc1 1P002DUS [0,0,1,0,0,0|1,0,0]=2 355 B10R1.17 NCCSc1ccccc1 1P00J3FE [0,0,1,0,0,0|1,0,0]=2 356 B10R1.17 NCCSc1ccccn1 1P00J1LL [0,0,1,0,0,0|2,0,0]=3 357 B10R1.17 NCCSc1ncccn1 1P028BWD [0,0,1,0,0,0|3,0,0]=4 358 B10R1.17 NC\C=C\c1ccccc1 1P00DCH4 [0,0,1,0,0,0|0,0,2]=3 359 B10R1.17 NNCCc1ccccc1 1P001OVR [0,0,1,0,0,0|1,0,0]=2 360 B10R1.17 NNCCc1ccccc1 1P00B63Y [0,0,1,0,0,0|1,0,0]=2 361 B10R1.17 NNCCc1ccccc1 1P00DB0J [0,0,1,0,0,0|1,0,0]=2 362 B10R1.17 NNCCc1ccccc1 1P00I9LM [0,0,1,0,0,0|1,0,0]=2 363 B10R1.17 NNCCc1ccccn1 1P006VW3 [0,0,1,0,0,0|2,0,0]=3 364 B10R1.17 NNCCc1ccccn1 1P01A12H [0,0,1,0,0,0|2,0,0]=3 365 B10R1.17 NNCCc1ccncc1 1P01BA79 [0,0,1,0,0,0|2,0,0]=3 366 B10R1.17 NOCCc1ccccc1 1P0071ZN [0,0,1,0,0,0|1,0,0]=2 367 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [0,0,1,0,0,0|2,0,1]=4 368 B10R1.17 O=CCCc1ccccc1 1P003RFA [0,0,1,0,0,0|1,0,1]=3 369 B10R1.17 O=CCCc1ccccn1 1P00BGWO [0,0,1,0,0,0|2,0,1]=4 370 B10R1.17 O=CCCc1cccnc1 1P00228Y [0,0,1,0,0,0|2,0,1]=4 371 B10R1.17 O=CCCc1ccncc1 1P0075XB [0,0,1,0,0,0|2,0,1]=4 372 B10R1.17 O=CCOc1ccccc1 1P007P8S [0,0,1,0,0,0|2,0,1]=4 373 B10R1.17 O=CNCc1ccccc1 1P003T8E [0,0,1,0,0,0|2,0,1]=4 374 B10R1.17 O=COCc1ccccc1 1P008RMC [0,0,1,0,0,0|2,0,1]=4 375 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [0,0,1,0,0,0|1,0,2]=4 376 B10R1.17 OCC#Cc1ccccc1 1P001N1G [0,0,1,0,0,0|1,0,2]=4 377 B10R1.17 OCC=Cc1ccccc1 1P003PDJ [0,0,1,0,0,0|1,0,2]=4 378 B10R1.17 OCCCC1=CCC=CC1 1P00H25B [0,0,1,0,0,0|1,0,2]=4 379 B10R1.17 OCCCc1ccccc1 1P00170B [0,0,1,0,0,0|1,0,0]=2 380 B10R1.17 OCCCc1ccccn1 1P002W8D [0,0,1,0,0,0|2,0,0]=3 381 B10R1.17 OCCCc1ccccn1 1P003II3 [0,0,1,0,0,0|2,0,0]=3 382 B10R1.17 OCCCc1cccnc1 1P002W8E [0,0,1,0,0,0|2,0,0]=3 383 B10R1.17 OCCCc1ccncc1 1P002T2T [0,0,1,0,0,0|2,0,0]=3 384 B10R1.17 OCCCc1ccncn1 1P007B3A [0,0,1,0,0,0|3,0,0]=4 385 B10R1.17 OCCNc1ccccc1 1P00170A [0,0,1,0,0,0|2,0,0]=3 386 B10R1.17 OCCNc1ccccn1 1P00GWAF [0,0,1,0,0,0|3,0,0]=4 387 B10R1.17 OCCNc1ccccn1 1P01F2SN [0,0,1,0,0,0|3,0,0]=4 388 B10R1.17 OCCNc1cccnc1 1P028RNR [0,0,1,0,0,0|3,0,0]=4 389 B10R1.17 OCCNc1ccncc1 1P002G57 [0,0,1,0,0,0|3,0,0]=4 390 B10R1.17 OCCOc1ccccc1 1P0033W0 [0,0,1,0,0,0|2,0,0]=3 391 B10R1.17 OCCOc1cccnc1 1P000QDL [0,0,1,0,0,0|3,0,0]=4 392 B10R1.17 OCCSc1ccccc1 1P003FKS [0,0,1,0,0,0|2,0,0]=3 393 B10R1.17 OCCSc1ccccn1 1P008PC7 [0,0,1,0,0,0|3,0,0]=4 394 B10R1.17 OC\C=C\c1ccccc1 1P0072ZL [0,0,1,0,0,0|1,0,2]=4 395 B10R1.17 OC\C=C\c1ccccc1 1P01GDV5 [0,0,1,0,0,0|1,0,2]=4 396 B10R1.17 ONCCc1ccccc1 1P00CZ3B [0,0,1,0,0,0|2,0,0]=3 397 B10R1.17 S=C=NCc1ccccc1 1P0034Z1 [0,0,1,0,0,0|2,0,1]=4 398 B10R1.17 SCCCc1ccccc1 1P002PQQ [0,0,1,0,0,0|1,0,0]=2 399 B10R1.17 SCCCc1ccncc1 1P00CEFN [0,0,1,0,0,0|2,0,0]=3 400 B10R1.17 SCCOc1ccccc1 1P0037FU [0,0,1,0,0,0|2,0,0]=3 401 B10R1.17 SCCSc1ccccc1 1P00ALQK [0,0,1,0,0,0|2,0,0]=3 402 B10R1.17 [C-]#[N+]CCc1ccccc1 1P00EA9F [0,0,1,0,0,0|2,0,0]=3 403 B10R1.17 [C-]#[N+]CSc1ccccc1 1P0281A6 [0,0,1,0,0,0|3,0,0]=4 404 B10R1.17 [N-]=[N+]=NCc1ccccc1 1P003OKM [0,0,1,0,0,0|2,0,1]=4 405 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [0,0,1,0,0,0|1,0,2]=4 406 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [0,0,1,0,0,0|1,0,1]=3 407 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [0,0,1,0,0,0|1,0,2]=4 408 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [0,0,1,0,0,0|2,0,1]=4 409 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [0,0,1,0,0,0|2,0,1]=4 410 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [0,0,1,0,0,0|2,0,1]=4 411 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [0,0,1,0,0,0|2,0,1]=4 412 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [0,0,1,0,0,0|2,0,1]=4 413 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [0,0,1,0,0,0|2,0,1]=4 414 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [0,0,1,0,0,0|2,0,1]=4 415 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [0,0,1,0,0,0|2,0,1]=4 416 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [0,0,1,0,0,0|2,0,1]=4 417 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [0,0,1,0,0,0|2,0,1]=4 418 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [0,0,1,0,0,0|1,0,0]=2 419 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [0,0,1,0,0,0|1,0,0]=2 420 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [0,0,1,0,0,0|1,0,0]=2 421 B10R1.18 CC(Cc1ccccn1)C 1P003HXW [0,0,1,0,0,0|2,0,0]=3 422 B10R1.18 CC(Cc1ccccn1)N 1P00D8U4 [0,0,1,0,0,0|1,0,0]=2 423 B10R1.18 CC(Cc1ccccn1)O 1P00DNBN [0,0,1,0,0,0|2,0,0]=3 424 B10R1.18 CC(Cc1cccnc1)C 1P001H4I [0,0,1,0,0,0|2,0,0]=3 425 B10R1.18 CC(Cc1cccnc1)N 1P005KG1 [0,0,1,0,0,0|1,0,0]=2 426 B10R1.18 CC(Cc1cccnc1)O 1P01A55E [0,0,1,0,0,0|2,0,0]=3 427 B10R1.18 CC(Cc1ccncc1)Br 1P01B1MD [0,0,1,0,0,0|2,0,0]=3 428 B10R1.18 CC(Cc1ccncc1)N 1P005PD1 [0,0,1,0,0,0|1,0,0]=2 429 B10R1.18 CC(Cc1ccncc1)O 1P019TRA [0,0,1,0,0,0|2,0,0]=3 430 B10R1.18 CC(Cc1cnccn1)N 1P0089WO [0,0,1,0,0,0|2,0,0]=3 431 B10R1.18 CC(Cc1cnccn1)O 1P00JD7T [0,0,1,0,0,0|3,0,0]=4 432 B10R1.18 CC(Nc1ccccc1)C 1P003TLE [0,0,1,0,0,0|2,0,0]=3 433 B10R1.18 CC(Nc1ccccn1)C 1P001O3W [0,0,1,0,0,0|3,0,0]=4 434 B10R1.18 CC(Nc1cccnc1)C 1P00CMF9 [0,0,1,0,0,0|3,0,0]=4 435 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [0,0,1,0,0,0|2,0,0]=3 436 B10R1.18 CC(Oc1ccccn1)C 1P001W03 [0,0,1,0,0,0|3,0,0]=4 437 B10R1.18 CC(Oc1cccnc1)C 1P004EQ5 [0,0,1,0,0,0|3,0,0]=4 438 B10R1.18 CC(Oc1ccncc1)C 1P00DC8D [0,0,1,0,0,0|3,0,0]=4 439 B10R1.18 CN(Cc1[c-]cccc1)C 1P003Q4B [0,0,1,0,0,0|2,0,1]=4 440 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [0,0,1,0,0,0|2,0,0]=3 441 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [0,0,1,0,0,0|2,0,0]=3 442 B10R1.18 CN(Cc1ccccn1)C 1P01DWWA [0,0,1,0,0,0|3,0,0]=4 443 B10R1.18 CN(Cc1ccccn1)C 1P028WOR [0,0,1,0,0,0|3,0,0]=4 444 B10R1.18 CN(Cc1cccnc1)C 1P002ALG [0,0,1,0,0,0|3,0,0]=4 445 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [0,0,1,0,0,0|2,0,0]=3 446 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [0,0,1,0,0,0|1,0,0]=2 447 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [0,0,1,0,0,0|1,0,0]=2 448 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [0,0,1,0,0,0|1,1,0]=3 449 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [0,0,1,0,0,0|2,0,1]=4 450 B10R1.18 ClC([SiH2]c1ccccc1)Cl 1P001LSR [0,0,1,0,0,0|2,1,0]=4 451 B10R1.18 FC(Oc1ccccc1)F 1P0032NU [0,0,1,0,0,0|3,0,0]=4 452 B10R1.18 FC(Sc1ccccc1)F 1P00B00G [0,0,1,0,0,0|3,0,0]=4 453 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [0,0,1,0,0,0|1,0,1]=3 454 B10R1.18 NC(=N)Cc1ccccn1 1P00914U [0,0,1,0,0,0|2,0,1]=4 455 B10R1.18 NC(=N)Cc1cccnc1 1P00J2G5 [0,0,1,0,0,0|2,0,1]=4 456 B10R1.18 NC(=N)Cc1ccncc1 1P01C5XH [0,0,1,0,0,0|2,0,1]=4 457 B10R1.18 NC(=N)Cc1ccncc1 1P01C62X [0,0,1,0,0,0|2,0,1]=4 458 B10R1.18 NC(=N)Nc1ccccc1 1P002D2V [0,0,1,0,0,0|2,0,1]=4 459 B10R1.18 NC(=N)Nc1ccccc1 1P003U6D [0,0,1,0,0,0|2,0,1]=4 460 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [0,0,1,0,0,0|2,0,1]=4 461 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [0,0,1,0,0,0|1,0,1]=3 462 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [0,0,1,0,0,0|2,0,1]=4 463 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [0,0,1,0,0,0|2,0,1]=4 464 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [0,0,1,0,0,0|2,0,1]=4 465 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [0,0,1,0,0,0|2,0,1]=4 466 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [0,0,1,0,0,0|2,0,1]=4 467 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [0,0,1,0,0,0|1,0,1]=3 468 B10R1.18 NC(=S)Cc1ccccn1 1P002TKX [0,0,1,0,0,0|2,0,1]=4 469 B10R1.18 NC(=S)Cc1cccnc1 1P00DJ97 [0,0,1,0,0,0|2,0,1]=4 470 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [0,0,1,0,0,0|2,0,0]=3 471 B10R1.18 OB(Cc1ccccc1)O 1P0037O9 [0,0,1,0,0,0|3,0,0]=4 472 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [0,0,1,0,0,0|2,0,1]=4 473 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [0,0,1,0,0,0|3,0,0]=4 474 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [0,0,1,0,0,0|3,0,0]=4 475 B10R1.18 [O-][N+](=Cc1ccccc1)C 1P007JA1 [0,0,1,0,0,0|2,0,1]=4 476 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [0,0,1,0,0,0|3,0,0]=4 477 B12R3.12 c1ccc2c(c1)C3OC3C2 1P005ULA [0,0,0,1,0,0|2,0,0]=3 478 B10R2.5 CC1CC1c2ccco2 1P019PA5 [0,0,0,0,1,0|2,0,0]=3 479 B10R2.5 N[C@@H]1C[C@H]1c2ccco2 1P0280KE [0,0,0,0,1,0|1,0,0]=2 480 B10R2.5 N[C@@H]1C[C@H]1c2ncsc2 1P027WSS [0,0,0,0,1,0|2,0,0]=3 481 B10R2.5 N[C@@H]1C[C@H]1c2scnc2 1P02805I [0,0,0,0,1,0|2,0,0]=3 482 B12R2.11 CC1CC1Nc2ccccc2 1P01AM8S [0,0,0,0,0,1|1,0,0]=2 483 B12R2.11 NC1CC1Cc2ccccc2 1P01ALG3 [0,0,0,0,0,1|0,0,0]=1 484 B12R2.11 N[C@@H]1C[C@H]1Sc2ccccc2 1P028VGI [0,0,0,0,0,1|0,0,0]=1 485 B12R2.22 BrC1CC(C1)c2ccccc2 1P0291Y1 [0,0,0,0,0,1|1,0,0]=2 486 B12R2.22 BrC1CN(C1)c2ccccc2 1P028UAG [0,0,0,0,0,1|2,0,0]=3 487 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [0,0,0,0,0,1|1,0,1]=3 488 B12R2.22 NC1CC(=C1)c2ccccc2 1P028P5I [0,0,0,0,0,1|0,0,1]=2 489 B12R2.22 NC1CC(C1)c2ccccc2 1P00IGS9 [0,0,0,0,0,1|0,0,0]=1 490 B12R2.22 NC1CC(C1)c2ccccc2 1P01AAW6 [0,0,0,0,0,1|0,0,0]=1 491 B12R2.22 NC1CC(C1)c2cccnc2 1P019FV1 [0,0,0,0,0,1|1,0,0]=2 492 B12R2.22 NC1CC(C1)c2ncccn2 1P02935M [0,0,0,0,0,1|2,0,0]=3 493 B12R2.22 NC1CN(C1)c2ccccc2 1P002AOP [0,0,0,0,0,1|1,0,0]=2 494 B12R2.22 NC1CN(C1)c2ccccc2 1P01DYH8 [0,0,0,0,0,1|1,0,0]=2 495 B12R2.22 NC1CN(C1)c2ccccn2 1P01EILN [0,0,0,0,0,1|2,0,0]=3 496 B12R2.22 NC1CN(C1)c2cccnn2 1P01KJEF [0,0,0,0,0,1|3,0,0]=4 497 B12R2.22 NC1CN(C1)c2ccncc2 1P024MYS [0,0,0,0,0,1|2,0,0]=3 498 B12R2.22 NC1CN(C1)c2ccncn2 1P019ZA5 [0,0,0,0,0,1|3,0,0]=4 499 B12R2.22 NC1CN(C1)c2ncccn2 1P00ILF2 [0,0,0,0,0,1|3,0,0]=4 500 B12R2.22 NC1CN(C1)c2nccnc2 1P01ETZT [0,0,0,0,0,1|3,0,0]=4 501 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P00CIY6 [0,0,0,0,0,1|0,0,0]=1 502 B12R2.22 N[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCEE [0,0,0,0,0,1|0,0,0]=1 503 B12R2.22 N[C@@H]1C[C@@H](C1)c2ncccn2 1P027WGG [0,0,0,0,0,1|2,0,0]=3 504 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P001PMC [0,0,0,0,0,1|0,0,0]=1 505 B12R2.22 N[C@@H]1C[C@H](C1)c2ccccc2 1P01B816 [0,0,0,0,0,1|0,0,0]=1 506 B12R2.22 O=C1CC(=C1)c2ccccc2 1P0283JH [0,0,0,0,0,1|1,0,2]=4 507 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [0,0,0,0,0,1|1,0,1]=3 508 B12R2.22 O=C1CC(C1)c2ccncc2 1P01AN9O [0,0,0,0,0,1|2,0,1]=4 509 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [0,0,0,0,0,1|1,0,1]=3 510 B12R2.22 OC1CC(C1)c2ccccc2 1P01A0RI [0,0,0,0,0,1|1,0,0]=2 511 B12R2.22 OC1CN(C1)c2ccccc2 1P00G9PC [0,0,0,0,0,1|2,0,0]=3 512 B12R2.22 OC1CN(C1)c2ccccn2 1P028AJM [0,0,0,0,0,1|3,0,0]=4 513 B12R2.22 OC1CN(C1)c2cccnc2 1P018P2R [0,0,0,0,0,1|3,0,0]=4 514 B12R2.22 OC1CN(C1)c2ccncc2 1P028AO4 [0,0,0,0,0,1|3,0,0]=4 515 B12R2.22 O[C@@H]1C[C@@H](C1)c2ccccc2 1P01BCCJ [0,0,0,0,0,1|1,0,0]=2 516 B12R2.22 O[C@@H]1C[C@H](C1)c2ccccc2 1P01BFP2 [0,0,0,0,0,1|1,0,0]=2 517 B12R2.23 CC1CNC1c2ccccc2 1P019T2Z [0,0,0,0,0,1|1,0,0]=2 518 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [0,0,0,0,0,1|0,0,0]=1 519 B12R2.23 N[C@@H]1CO[C@H]1c2ccccc2 1P028M00 [0,0,0,0,0,1|0,0,0]=1 520 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [0,0,0,0,0,1|1,0,1]=3 521 B12R2.23 O=C1CCN1c2ccccc2 1P00DLNM [0,0,0,0,0,1|2,0,1]=4 522 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [0,0,0,0,0,1|1,0,1]=3 523 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [0,0,0,0,0,1|1,0,0]=2 524 B12R2.23 O[C@@H]1CO[C@H]1c2ccccc2 1P0292CU [0,0,0,0,0,1|1,0,0]=2 525 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [0,0,0,0,0,1|1,0,0]=2 526 B9R1.6 CC(=O)c1ccccc1 1P0036AX [1,0,1,0,0,0|1,0,1]=4 527 B9R1.6 CC([n+]1ccccc1)C 1P01ERR5 [1,0,1,0,0,0|1,0,0]=3 528 B9R1.6 CC(c1ccccc1)Br 1P003BVV [1,0,1,0,0,0|1,0,0]=3 529 B9R1.6 CC(c1ccccc1)C 1P0032S0 [1,0,1,0,0,0|0,0,0]=2 530 B9R1.6 CC(c1ccccc1)Cl 1P003ENS [1,0,1,0,0,0|1,0,0]=3 531 B9R1.6 CC(c1ccccc1)N 1P00369W [1,0,1,0,0,0|0,0,0]=2 532 B9R1.6 CC(c1ccccc1)N 1P009X79 [1,0,1,0,0,0|0,0,0]=2 533 B9R1.6 CC(c1ccccc1)S 1P003COW [1,0,1,0,0,0|1,0,0]=3 534 B9R1.6 CC(c1ccccn1)Br 1P005XKU [1,0,1,0,0,0|2,0,0]=4 535 B9R1.6 CC(c1ccccn1)Br 1P019XVD [1,0,1,0,0,0|2,0,0]=4 536 B9R1.6 CC(c1ccccn1)C 1P00E98K [1,0,1,0,0,0|1,0,0]=3 537 B9R1.6 CC(c1ccccn1)Cl 1P00AO5F [1,0,1,0,0,0|2,0,0]=4 538 B9R1.6 CC(c1ccccn1)N 1P0039UO [1,0,1,0,0,0|1,0,0]=3 539 B9R1.6 CC(c1ccccn1)N 1P003DC9 [1,0,1,0,0,0|1,0,0]=3 540 B9R1.6 CC(c1ccccn1)O 1P003F63 [1,0,1,0,0,0|2,0,0]=4 541 B9R1.6 CC(c1cccnc1)Br 1P019XJX [1,0,1,0,0,0|2,0,0]=4 542 B9R1.6 CC(c1cccnc1)Cl 1P0169EF [1,0,1,0,0,0|2,0,0]=4 543 B9R1.6 CC(c1cccnc1)N 1P000HRO [1,0,1,0,0,0|1,0,0]=3 544 B9R1.6 CC(c1cccnc1)N 1P003DEG [1,0,1,0,0,0|1,0,0]=3 545 B9R1.6 CC(c1cccnc1)O 1P003IG7 [1,0,1,0,0,0|2,0,0]=4 546 B9R1.6 CC(c1cccnn1)N 1P01KX69 [1,0,1,0,0,0|2,0,0]=4 547 B9R1.6 CC(c1ccncc1)Br 1P019XJY [1,0,1,0,0,0|2,0,0]=4 548 B9R1.6 CC(c1ccncc1)C 1P003M2H [1,0,1,0,0,0|1,0,0]=3 549 B9R1.6 CC(c1ccncc1)Cl 1P0169EG [1,0,1,0,0,0|2,0,0]=4 550 B9R1.6 CC(c1ccncc1)N 1P001ZXP [1,0,1,0,0,0|1,0,0]=3 551 B9R1.6 CC(c1ccncc1)N 1P003DHP [1,0,1,0,0,0|1,0,0]=3 552 B9R1.6 CC(c1ccncc1)N 1P01C1JO [1,0,1,0,0,0|1,0,0]=3 553 B9R1.6 CC(c1ccncc1)O 1P002NIX [1,0,1,0,0,0|2,0,0]=4 554 B9R1.6 CC(c1ccncn1)N 1P000P00 [1,0,1,0,0,0|2,0,0]=4 555 B9R1.6 CC(c1ccnnc1)N 1P0003H4 [1,0,1,0,0,0|2,0,0]=4 556 B9R1.6 CC(c1ccnnc1)N 1P00HDEA [1,0,1,0,0,0|2,0,0]=4 557 B9R1.6 CC(c1cnccn1)N 1P0027E6 [1,0,1,0,0,0|2,0,0]=4 558 B9R1.6 CC(c1cncnc1)N 1P01K4D6 [1,0,1,0,0,0|2,0,0]=4 559 B9R1.6 CC(c1ncccn1)N 1P001W91 [1,0,1,0,0,0|2,0,0]=4 560 B9R1.6 CC(c1ncccn1)N 1P01EIIZ [1,0,1,0,0,0|2,0,0]=4 561 B9R1.6 CC(c1nccnc1)N 1P01EII2 [1,0,1,0,0,0|2,0,0]=4 562 B9R1.6 CN(c1ccccc1)C 1P003T1K [1,0,1,0,0,0|1,0,0]=3 563 B9R1.6 CN(c1ccccc1)N 1P003EY0 [1,0,1,0,0,0|1,0,0]=3 564 B9R1.6 CN(c1ccccc1)N 1P00EKZW [1,0,1,0,0,0|1,0,0]=3 565 B9R1.6 CN(c1ccccn1)C 1P003BOB [1,0,1,0,0,0|2,0,0]=4 566 B9R1.6 CN(c1ccccn1)N 1P00736N [1,0,1,0,0,0|2,0,0]=4 567 B9R1.6 CN(c1cccnc1)C 1P0075WN [1,0,1,0,0,0|2,0,0]=4 568 B9R1.6 CN(c1ccncc1)C 1P0034HE [1,0,1,0,0,0|2,0,0]=4 569 B9R1.6 CN(c1ccncc1)C 1P003LRE [1,0,1,0,0,0|2,0,0]=4 570 B9R1.6 CN(c1ccncc1)N 1P01E1AT [1,0,1,0,0,0|2,0,0]=4 571 B9R1.6 CP(c1ccccc1)C 1P003Q45 [1,0,1,0,0,0|1,0,0]=3 572 B9R1.6 CP(c1ccccc1)C 1P00BHDQ [1,0,1,0,0,0|1,0,0]=3 573 B9R1.6 CP(c1ccncc1)C 1P028LIG [1,0,1,0,0,0|2,0,0]=4 574 B9R1.6 CS(=O)c1ccccc1 1P000J0D [1,0,1,0,0,0|2,0,0]=4 575 B9R1.6 C[C@@H](c1ccccc1)N 1P0032WG [1,0,1,0,0,0|0,0,0]=2 576 B9R1.6 C[C@@H](c1ccccc1)O 1P00HXJL [1,0,1,0,0,0|1,0,0]=3 577 B9R1.6 C[C@@H](c1ccccc1)S 1P01BVUY [1,0,1,0,0,0|1,0,0]=3 578 B9R1.6 C[C@@H](c1ccccn1)N 1P002VEV [1,0,1,0,0,0|1,0,0]=3 579 B9R1.6 C[C@@H](c1ccccn1)N 1P00CJBI [1,0,1,0,0,0|1,0,0]=3 580 B9R1.6 C[C@@H](c1ccccn1)O 1P003CZH [1,0,1,0,0,0|2,0,0]=4 581 B9R1.6 C[C@@H](c1cccnc1)N 1P002VEU [1,0,1,0,0,0|1,0,0]=3 582 B9R1.6 C[C@@H](c1cccnc1)N 1P00I8C2 [1,0,1,0,0,0|1,0,0]=3 583 B9R1.6 C[C@@H](c1cccnc1)O 1P003CZF [1,0,1,0,0,0|2,0,0]=4 584 B9R1.6 C[C@@H](c1ccncc1)N 1P002VET [1,0,1,0,0,0|1,0,0]=3 585 B9R1.6 C[C@@H](c1ccncc1)N 1P00CNEB [1,0,1,0,0,0|1,0,0]=3 586 B9R1.6 C[C@@H](c1ccncc1)O 1P003CZI [1,0,1,0,0,0|2,0,0]=4 587 B9R1.6 C[C@@H](c1ncccn1)N 1P01JVFK [1,0,1,0,0,0|2,0,0]=4 588 B9R1.6 C[C@@H](c1nccnc1)N 1P01B2Z8 [1,0,1,0,0,0|2,0,0]=4 589 B9R1.6 C[C@H](c1ccccc1)N 1P0032UU [1,0,1,0,0,0|0,0,0]=2 590 B9R1.6 C[C@H](c1ccccc1)N 1P00BC58 [1,0,1,0,0,0|0,0,0]=2 591 B9R1.6 C[C@H](c1ccccc1)O 1P0032UN [1,0,1,0,0,0|1,0,0]=3 592 B9R1.6 C[C@H](c1ccccc1)S 1P01DWTD [1,0,1,0,0,0|1,0,0]=3 593 B9R1.6 C[C@H](c1ccccn1)N 1P009I22 [1,0,1,0,0,0|1,0,0]=3 594 B9R1.6 C[C@H](c1ccccn1)N 1P00DBIS [1,0,1,0,0,0|1,0,0]=3 595 B9R1.6 C[C@H](c1ccccn1)O 1P0032W5 [1,0,1,0,0,0|2,0,0]=4 596 B9R1.6 C[C@H](c1cccnc1)N 1P000DVB [1,0,1,0,0,0|1,0,0]=3 597 B9R1.6 C[C@H](c1cccnc1)N 1P00CKTS [1,0,1,0,0,0|1,0,0]=3 598 B9R1.6 C[C@H](c1cccnc1)N 1P00I8C1 [1,0,1,0,0,0|1,0,0]=3 599 B9R1.6 C[C@H](c1cccnc1)O 1P003CNM [1,0,1,0,0,0|2,0,0]=4 600 B9R1.6 C[C@H](c1ccncc1)N 1P0004FL [1,0,1,0,0,0|1,0,0]=3 601 B9R1.6 C[C@H](c1ccncc1)N 1P00DLCH [1,0,1,0,0,0|1,0,0]=3 602 B9R1.6 C[C@H](c1ccncc1)O 1P002VEW [1,0,1,0,0,0|2,0,0]=4 603 B9R1.6 C[C@H](c1cnccn1)N 1P000X0F [1,0,1,0,0,0|2,0,0]=4 604 B9R1.6 C[C@H](c1ncccn1)N 1P01JV18 [1,0,1,0,0,0|2,0,0]=4 605 B9R1.6 C[C@H](c1nccnc1)N 1P01C72C [1,0,1,0,0,0|2,0,0]=4 606 B9R1.6 C[Si](c1ccccc1)C 1P00358B [1,0,1,0,0,0|0,1,0]=3 607 B9R1.6 ClC(c1ccccc1)Cl 1P00IKXY [1,0,1,0,0,0|2,0,0]=4 608 B9R1.6 FC(c1ccccc1)Br 1P020M24 [1,0,1,0,0,0|2,0,0]=4 609 B9R1.6 FC(c1ccccc1)F 1P00DCHS [1,0,1,0,0,0|2,0,0]=4 610 B9R1.6 NC(=N)c1ccccc1 1P002J4G [1,0,1,0,0,0|1,0,1]=4 611 B9R1.6 NC(=N)c1ccccc1 1P0034Y8 [1,0,1,0,0,0|1,0,1]=4 612 B9R1.6 NC(=N)c1ccccc1 1P003OH8 [1,0,1,0,0,0|1,0,1]=4 613 B9R1.6 NC(=N)c1ccccc1 1P00FJIS [1,0,1,0,0,0|1,0,1]=4 614 B9R1.6 NC(=O)c1ccccc1 1P00DOQ9 [1,0,1,0,0,0|1,0,1]=4 615 B9R1.6 NC(=S)c1ccccc1 1P00365I [1,0,1,0,0,0|1,0,1]=4 616 B9R1.6 NS(=O)c1ccccc1 1P001SKC [1,0,1,0,0,0|2,0,0]=4 617 B9R1.8 BrCCc1ccccc1 1P003EKU [1,0,1,0,0,0|1,0,0]=3 618 B9R1.8 BrCCc1ccccn1 1P0033B6 [1,0,1,0,0,0|2,0,0]=4 619 B9R1.8 BrCCc1cccnc1 1P00CJF9 [1,0,1,0,0,0|2,0,0]=4 620 B9R1.8 BrCCc1ccncc1 1P01BGQT [1,0,1,0,0,0|2,0,0]=4 621 B9R1.8 C=CCc1ccccc1 1P003O6X [1,0,1,0,0,0|0,0,2]=4 622 B9R1.8 CC#Cc1ccccc1 1P000515 [1,0,1,0,0,0|0,0,2]=4 623 B9R1.8 CCC[n+]1ccccc1 1P002N7W [1,0,1,0,0,0|1,0,0]=3 624 B9R1.8 CCCc1ccccc1 1P003UGP [1,0,1,0,0,0|0,0,0]=2 625 B9R1.8 CCCc1ccccn1 1P003IDJ [1,0,1,0,0,0|1,0,0]=3 626 B9R1.8 CCCc1cccnc1 1P00DG48 [1,0,1,0,0,0|1,0,0]=3 627 B9R1.8 CCCc1cccnn1 1P01ANOM [1,0,1,0,0,0|2,0,0]=4 628 B9R1.8 CCCc1ccncc1 1P003MH0 [1,0,1,0,0,0|1,0,0]=3 629 B9R1.8 CCCc1cnccn1 1P003BQC [1,0,1,0,0,0|2,0,0]=4 630 B9R1.8 CCNc1ccccc1 1P0035UD [1,0,1,0,0,0|1,0,0]=3 631 B9R1.8 CCNc1ccccn1 1P003FIU [1,0,1,0,0,0|2,0,0]=4 632 B9R1.8 CCNc1cccnc1 1P00CN8W [1,0,1,0,0,0|2,0,0]=4 633 B9R1.8 CCNc1ccncc1 1P00I7EH [1,0,1,0,0,0|2,0,0]=4 634 B9R1.8 CCOc1ccccc1 1P003U4U [1,0,1,0,0,0|1,0,0]=3 635 B9R1.8 CCOc1ccccn1 1P001L8A [1,0,1,0,0,0|2,0,0]=4 636 B9R1.8 CCOc1cccnc1 1P00ANFG [1,0,1,0,0,0|2,0,0]=4 637 B9R1.8 CCOc1ccncc1 1P00C0Z1 [1,0,1,0,0,0|2,0,0]=4 638 B9R1.8 CCSc1ccccc1 1P003QX8 [1,0,1,0,0,0|1,0,0]=3 639 B9R1.8 CCSc1ccccn1 1P002EQQ [1,0,1,0,0,0|2,0,0]=4 640 B9R1.8 CNCc1ccccc1 1P0035T0 [1,0,1,0,0,0|1,0,0]=3 641 B9R1.8 CNCc1ccccn1 1P002L6V [1,0,1,0,0,0|2,0,0]=4 642 B9R1.8 CNCc1ccccn1 1P00H9TS [1,0,1,0,0,0|2,0,0]=4 643 B9R1.8 CNCc1cccnc1 1P003IN0 [1,0,1,0,0,0|2,0,0]=4 644 B9R1.8 CNCc1cccnc1 1P00JLQD [1,0,1,0,0,0|2,0,0]=4 645 B9R1.8 CNCc1ccncc1 1P003TOO [1,0,1,0,0,0|2,0,0]=4 646 B9R1.8 CNCc1ccncc1 1P009DU1 [1,0,1,0,0,0|2,0,0]=4 647 B9R1.8 CNNc1ccccc1 1P00H3DS [1,0,1,0,0,0|2,0,0]=4 648 B9R1.8 COCc1ccccc1 1P003OL0 [1,0,1,0,0,0|1,0,0]=3 649 B9R1.8 COCc1ccccn1 1P002O7L [1,0,1,0,0,0|2,0,0]=4 650 B9R1.8 COCc1ccncc1 1P00FGIA [1,0,1,0,0,0|2,0,0]=4 651 B9R1.8 CSCc1ccccc1 1P003OL2 [1,0,1,0,0,0|1,0,0]=3 652 B9R1.8 CSCc1ccccn1 1P00K0NO [1,0,1,0,0,0|2,0,0]=4 653 B9R1.8 CSCc1cccnc1 1P01DX2J [1,0,1,0,0,0|2,0,0]=4 654 B9R1.8 C\C=C/c1ccccc1 1P003PGJ [1,0,1,0,0,0|0,0,2]=4 655 B9R1.8 C\C=C\c1ccccc1 1P003VFF [1,0,1,0,0,0|0,0,2]=4 656 B9R1.8 C\N=C\c1ccccc1 1P003T8J [1,0,1,0,0,0|1,0,1]=4 657 B9R1.8 ClCCc1ccccc1 1P0032NZ [1,0,1,0,0,0|1,0,0]=3 658 B9R1.8 ClCCc1ccccn1 1P00AQES [1,0,1,0,0,0|2,0,0]=4 659 B9R1.8 ClCCc1ccccn1 1P00CB7K [1,0,1,0,0,0|2,0,0]=4 660 B9R1.8 ClCCc1cccnc1 1P00CLVG [1,0,1,0,0,0|2,0,0]=4 661 B9R1.8 ClCCc1ccncc1 1P00G7HW [1,0,1,0,0,0|2,0,0]=4 662 B9R1.8 ClCSc1ccccc1 1P003PAU [1,0,1,0,0,0|2,0,0]=4 663 B9R1.8 ClC[SiH2]c1ccccc1 1P001U85 [1,0,1,0,0,0|1,1,0]=4 664 B9R1.8 ICCc1ccccc1 1P001ZMC [1,0,1,0,0,0|1,0,0]=3 665 B9R1.8 ICCc1cccnc1 1P01APKH [1,0,1,0,0,0|2,0,0]=4 666 B9R1.8 NCCc1ccccc1 1P001OVX [1,0,1,0,0,0|0,0,0]=2 667 B9R1.8 NCCc1ccccc1 1P00AL3F [1,0,1,0,0,0|0,0,0]=2 668 B9R1.8 NCCc1ccccn1 1P0033BC [1,0,1,0,0,0|1,0,0]=3 669 B9R1.8 NCCc1cccnc1 1P0031LS [1,0,1,0,0,0|1,0,0]=3 670 B9R1.8 NCCc1cccnc1 1P007RI3 [1,0,1,0,0,0|1,0,0]=3 671 B9R1.8 NCCc1cccnc1 1P00G4HF [1,0,1,0,0,0|1,0,0]=3 672 B9R1.8 NCCc1ccncc1 1P0011CE [1,0,1,0,0,0|1,0,0]=3 673 B9R1.8 NCCc1ccncc1 1P00EB7D [1,0,1,0,0,0|1,0,0]=3 674 B9R1.8 NCCc1ccncn1 1P00G8NQ [1,0,1,0,0,0|2,0,0]=4 675 B9R1.8 NCCc1ccnnc1 1P01FJWH [1,0,1,0,0,0|2,0,0]=4 676 B9R1.8 NCCc1cnccn1 1P00D8UG [1,0,1,0,0,0|2,0,0]=4 677 B9R1.8 NCCc1cnccn1 1P00HZ0H [1,0,1,0,0,0|2,0,0]=4 678 B9R1.8 NCCc1cncnc1 1P00G7HI [1,0,1,0,0,0|2,0,0]=4 679 B9R1.8 NCCc1cncnc1 1P01B7EM [1,0,1,0,0,0|2,0,0]=4 680 B9R1.8 NCCc1ncccn1 1P00IKQC [1,0,1,0,0,0|2,0,0]=4 681 B9R1.8 NNCc1ccccc1 1P002AS6 [1,0,1,0,0,0|1,0,0]=3 682 B9R1.8 NNCc1ccccc1 1P003OLM [1,0,1,0,0,0|1,0,0]=3 683 B9R1.8 NNCc1ccccc1 1P00VUSV [1,0,1,0,0,0|1,0,0]=3 684 B9R1.8 NNCc1ccccn1 1P00BJY5 [1,0,1,0,0,0|2,0,0]=4 685 B9R1.8 NNCc1ccccn1 1P00IG9V [1,0,1,0,0,0|2,0,0]=4 686 B9R1.8 NNCc1cccnc1 1P0033XM [1,0,1,0,0,0|2,0,0]=4 687 B9R1.8 NNCc1cccnc1 1P00EM3P [1,0,1,0,0,0|2,0,0]=4 688 B9R1.8 NNCc1cccnc1 1P00FT0X [1,0,1,0,0,0|2,0,0]=4 689 B9R1.8 NNCc1ccncc1 1P00GVVL [1,0,1,0,0,0|2,0,0]=4 690 B9R1.8 NOCc1ccccc1 1P0035W0 [1,0,1,0,0,0|1,0,0]=3 691 B9R1.8 NOCc1ccccc1 1P003TWF [1,0,1,0,0,0|1,0,0]=3 692 B9R1.8 NOCc1ccccn1 1P01C2PM [1,0,1,0,0,0|2,0,0]=4 693 B9R1.8 NOCc1cccnc1 1P00I7X0 [1,0,1,0,0,0|2,0,0]=4 694 B9R1.8 N\N=C\c1ccccc1 1P00DGB6 [1,0,1,0,0,0|1,0,1]=4 695 B9R1.8 O=CCc1ccccc1 1P00170M [1,0,1,0,0,0|1,0,1]=4 696 B9R1.8 OCCc1ccccc1 1P0033W3 [1,0,1,0,0,0|1,0,0]=3 697 B9R1.8 OCCc1ccccn1 1P0038HY [1,0,1,0,0,0|2,0,0]=4 698 B9R1.8 OCCc1cccnc1 1P003FB1 [1,0,1,0,0,0|2,0,0]=4 699 B9R1.8 OCCc1ccncc1 1P003FL5 [1,0,1,0,0,0|2,0,0]=4 700 B9R1.8 OCCc1ccncc1 1P00CHZZ [1,0,1,0,0,0|2,0,0]=4 701 B9R1.8 ONCc1ccccc1 1P002ZBQ [1,0,1,0,0,0|2,0,0]=4 702 B9R1.8 ONCc1ccccc1 1P003920 [1,0,1,0,0,0|2,0,0]=4 703 B9R1.8 SCCc1ccccc1 1P00DCX2 [1,0,1,0,0,0|1,0,0]=3 704 B9R1.8 SCCc1ccccn1 1P0029Y7 [1,0,1,0,0,0|2,0,0]=4 705 B9R1.8 SCCc1ccncc1 1P003MH7 [1,0,1,0,0,0|2,0,0]=4 706 B9R1.8 [C-]#[N+]Cc1ccccc1 1P003OKW [1,0,1,0,0,0|1,0,1]=4 707 B11R1.7 BrCC(c1ccccc1)(C)C 1P01BAKY [0,1,1,0,0,0|1,0,0]=3 708 B11R1.7 BrCC(c1ccccc1)(F)F 1P0083UC [0,1,1,0,0,0|2,0,0]=4 709 B11R1.7 C#CC(c1ccccc1)(C)C 1P00BFJ1 [0,1,1,0,0,0|1,0,1]=4 710 B11R1.7 C#CC(c1ccccc1)(O)C 1P000WZC [0,1,1,0,0,0|1,0,1]=4 711 B11R1.7 CCC(c1ccccc1)(C)C 1P002A7K [0,1,1,0,0,0|1,0,0]=3 712 B11R1.7 CCC(c1ccccc1)(N)C 1P00VUZE [0,1,1,0,0,0|1,0,0]=3 713 B11R1.7 CCC(c1ccccc1)(O)C 1P001P8N [0,1,1,0,0,0|1,0,0]=3 714 B11R1.7 CNC(c1ccccc1)(C)C 1P01B9WJ [0,1,1,0,0,0|2,0,0]=4 715 B11R1.7 CNC(c1ccccc1)(C)C 1P01C5RR [0,1,1,0,0,0|2,0,0]=4 716 B11R1.7 ClCC(c1ccccc1)(C)C 1P003TFM [0,1,1,0,0,0|1,0,0]=3 717 B11R1.7 ClC[Si](c1ccccc1)(C)C 1P0027Y8 [0,1,1,0,0,0|1,1,0]=4 718 B11R1.7 N#CC(c1ccccc1)(C)C 1P000JCU [0,1,1,0,0,0|0,0,2]=4 719 B11R1.7 N#CC(c1ccccc1)(F)C 1P01ACVJ [0,1,1,0,0,0|0,0,2]=4 720 B11R1.7 N#CC(c1ccccc1)(N)C 1P00I8SK [0,1,1,0,0,0|0,0,2]=4 721 B11R1.7 NCC(c1ccccc1)(C)C 1P00BDOZ [0,1,1,0,0,0|0,0,0]=2 722 B11R1.7 NCC(c1ccccc1)(C)C 1P01B5MY [0,1,1,0,0,0|0,0,0]=2 723 B11R1.7 NCC(c1ccccc1)(F)C 1P028ZA3 [0,1,1,0,0,0|0,0,0]=2 724 B11R1.7 NCC(c1ccccc1)(F)F 1P00CLVE [0,1,1,0,0,0|1,0,0]=3 725 B11R1.7 NCC(c1ccccc1)(F)F 1P00DLXV [0,1,1,0,0,0|1,0,0]=3 726 B11R1.7 NCC(c1ccccc1)(N)C 1P00E13O [0,1,1,0,0,0|0,0,0]=2 727 B11R1.7 NCC(c1ccccc1)(O)C 1P002556 [0,1,1,0,0,0|0,0,0]=2 728 B11R1.7 NCC(c1ccccn1)(C)C 1P00AKXV [0,1,1,0,0,0|1,0,0]=3 729 B11R1.7 NCC(c1ccccn1)(F)F 1P00C46G [0,1,1,0,0,0|2,0,0]=4 730 B11R1.7 NCC(c1ccccn1)(F)F 1P00DBK4 [0,1,1,0,0,0|2,0,0]=4 731 B11R1.7 NCC(c1ccccn1)(F)F 1P01JVFG [0,1,1,0,0,0|2,0,0]=4 732 B11R1.7 NCC(c1cccnc1)(C)C 1P01C3R1 [0,1,1,0,0,0|1,0,0]=3 733 B11R1.7 NCC(c1cccnc1)(F)F 1P00EUG7 [0,1,1,0,0,0|2,0,0]=4 734 B11R1.7 NCC(c1ccncc1)(C)C 1P01A4DN [0,1,1,0,0,0|1,0,0]=3 735 B11R1.7 NCC(c1nccnc1)(C)C 1P00MDJV [0,1,1,0,0,0|2,0,0]=4 736 B11R1.7 NC[Si](c1ccccc1)(C)C 1P01ACKE [0,1,1,0,0,0|0,1,0]=3 737 B11R1.7 O=CC(c1ccccc1)(C)C 1P01A32D [0,1,1,0,0,0|1,0,1]=4 738 B11R1.7 O=CC(c1ccccc1)(Cl)C 1P01BDN1 [0,1,1,0,0,0|1,0,1]=4 739 B11R1.7 O=CC(c1ccccc1)(F)C 1P027TZT [0,1,1,0,0,0|1,0,1]=4 740 B11R1.7 OCC(c1ccccc1)(C)C 1P00BGLD [0,1,1,0,0,0|1,0,0]=3 741 B11R1.7 OCC(c1ccccc1)(F)F 1P000UAD [0,1,1,0,0,0|2,0,0]=4 742 B11R1.7 OCC(c1ccccc1)(N)C 1P00H3N7 [0,1,1,0,0,0|1,0,0]=3 743 B11R1.7 OCC(c1ccccc1)(N)C 1P00I0RM [0,1,1,0,0,0|1,0,0]=3 744 B11R1.7 OCC(c1ccccn1)(C)C 1P01DWTT [0,1,1,0,0,0|2,0,0]=4 745 B11R1.7 OCC(c1ccccn1)(N)C 1P028UM9 [0,1,1,0,0,0|2,0,0]=4 746 B11R1.7 OCC(c1ccccn1)(O)C 1P027VCP [0,1,1,0,0,0|2,0,0]=4 747 B11R1.7 OCC(c1cccnc1)(O)C 1P027UQY [0,1,1,0,0,0|2,0,0]=4 748 B11R1.7 OCC(c1ccncc1)(O)C 1P028WMG [0,1,1,0,0,0|2,0,0]=4 749 B11R1.7 OC[C@@](c1ccccc1)(N)C 1P01X9O4 [0,1,1,0,0,0|1,0,0]=3 750 B11R1.7 OC[C@](c1ccccc1)(N)C 1P01XCAG [0,1,1,0,0,0|1,0,0]=3 751 B11R1.7 OOC(c1ccccc1)(C)C 1P003700 [0,1,1,0,0,0|2,0,0]=4 752 B11R1.12 BrCC(c1ccccc1)CBr 1P004VCB [0,1,1,0,0,0|1,0,0]=3 753 B11R1.12 BrCC(c1ccccc1)OC 1P0012XV [0,1,1,0,0,0|1,0,0]=3 754 B11R1.12 BrC[C@H](c1ccccc1)OC 1P028A3K [0,1,1,0,0,0|1,0,0]=3 755 B11R1.12 CCC(c1ccccc1)C#N 1P003IC0 [0,1,1,0,0,0|0,0,2]=4 756 B11R1.12 CCC(c1ccccc1)C=O 1P006VRA [0,1,1,0,0,0|1,0,1]=4 757 B11R1.12 CCC(c1ccccc1)CBr 1P00CNP9 [0,1,1,0,0,0|1,0,0]=3 758 B11R1.12 CCC(c1ccccc1)CN 1P002ARC [0,1,1,0,0,0|0,0,0]=2 759 B11R1.12 CCC(c1ccccc1)CN 1P00VTS4 [0,1,1,0,0,0|0,0,0]=2 760 B11R1.12 CCC(c1ccccc1)CO 1P0029E7 [0,1,1,0,0,0|1,0,0]=3 761 B11R1.12 CCC(c1ccccc1)NC 1P003TMS [0,1,1,0,0,0|1,0,0]=3 762 B11R1.12 CCC(c1ccccc1)NC 1P00J3I8 [0,1,1,0,0,0|1,0,0]=3 763 B11R1.12 CCC(c1ccccn1)CC 1P003FAX [0,1,1,0,0,0|2,0,0]=4 764 B11R1.12 CCC(c1ccccn1)NC 1P005WXZ [0,1,1,0,0,0|2,0,0]=4 765 B11R1.12 CCC(c1cccnc1)NC 1P005WXV [0,1,1,0,0,0|2,0,0]=4 766 B11R1.12 CCC(c1ccncc1)CC 1P003KI3 [0,1,1,0,0,0|2,0,0]=4 767 B11R1.12 CCC(c1ccncc1)NC 1P01AKEW [0,1,1,0,0,0|2,0,0]=4 768 B11R1.12 CCN(c1ccccc1)CC 1P003T07 [0,1,1,0,0,0|2,0,0]=4 769 B11R1.12 CCN(c1ccccc1)CC 1P00EDAT [0,1,1,0,0,0|2,0,0]=4 770 B11R1.12 CCP(c1ccccc1)CC 1P001SFJ [0,1,1,0,0,0|2,0,0]=4 771 B11R1.12 CC[C@@H](c1ccccc1)NC 1P027V0B [0,1,1,0,0,0|1,0,0]=3 772 B11R1.12 CC[C@H](c1ccccc1)NC 1P0292B5 [0,1,1,0,0,0|1,0,0]=3 773 B11R1.12 CNC(c1cccnc1)CO 1P027U45 [0,1,1,0,0,0|2,0,0]=4 774 B11R1.12 COC(c1ccccc1)C#N 1P00JRVV [0,1,1,0,0,0|0,0,2]=4 775 B11R1.12 COC(c1ccccc1)OC 1P0034Y6 [0,1,1,0,0,0|2,0,0]=4 776 B11R1.12 FC[C@@H](c1ccccc1)NC 1P028J88 [0,1,1,0,0,0|1,0,0]=3 777 B11R1.12 FC[C@H](c1ccccc1)NC 1P028F07 [0,1,1,0,0,0|1,0,0]=3 778 B11R1.12 NCC(c1ccccc1)CN 1P01B8B0 [0,1,1,0,0,0|0,0,0]=2 779 B11R1.12 NCC(c1ccccc1)CO 1P00EFDY [0,1,1,0,0,0|0,0,0]=2 780 B11R1.12 NCC(c1ccccc1)CO 1P01XEA8 [0,1,1,0,0,0|0,0,0]=2 781 B11R1.12 NCC(c1ccccc1)OC 1P00JRVO [0,1,1,0,0,0|0,0,0]=2 782 B11R1.12 NCC(c1ccccc1)OC 1P019X26 [0,1,1,0,0,0|0,0,0]=2 783 B11R1.12 NCC(c1cccnc1)CO 1P01B8XR [0,1,1,0,0,0|1,0,0]=3 784 B11R1.12 NCC(c1cccnc1)CO 1P01C532 [0,1,1,0,0,0|1,0,0]=3 785 B11R1.12 NC\C(=C\Cl)\c1ccccc1 1P00IE2V [0,1,1,0,0,0|0,0,2]=4 786 B11R1.12 OCC(c1ccccc1)CO 1P001PME [0,1,1,0,0,0|1,0,0]=3 787 B11R1.12 OCC(c1ccccc1)NN 1P01BG9A [0,1,1,0,0,0|1,0,0]=3 788 B11R1.12 OCC(c1ccccc1)OC 1P00C29Q [0,1,1,0,0,0|1,0,0]=3 789 B11R1.12 OCC(c1ccccn1)CO 1P00D8GB [0,1,1,0,0,0|2,0,0]=4 790 B11R1.12 OCC(c1cccnc1)CO 1P01B8KU [0,1,1,0,0,0|2,0,0]=4 791 B11R1.12 OC[C@@H](c1ccccc1)NC 1P00GAP3 [0,1,1,0,0,0|1,0,0]=3 792 B11R1.12 OC[C@H](c1ccccc1)NC 1P00232I [0,1,1,0,0,0|1,0,0]=3 793 B11R1.12 OC[C@H](c1ccccc1)NC 1P009ZQ6 [0,1,1,0,0,0|1,0,0]=3 794 B11R1.12 SCC(c1ccccc1)OC 1P028BB3 [0,1,1,0,0,0|1,0,0]=3 795 B11R1.16 BrC=CC(c1ccccc1)C 1P02911R [0,1,1,0,0,0|1,0,1]=4 796 B11R1.16 BrCCC(c1ccccc1)O 1P01BU72 [0,1,1,0,0,0|2,0,0]=4 797 B11R1.16 C=CCC(c1ccccc1)N 1P019ZKP [0,1,1,0,0,0|2,0,0]=4 798 B11R1.16 C=CCC(c1ccccc1)O 1P003F2U [0,1,1,0,0,0|2,0,0]=4 799 B11R1.16 C=CC[C@@H](c1ccccc1)N 1P028TS3 [0,1,1,0,0,0|2,0,0]=4 800 B11R1.16 C=CC[C@H](c1ccccc1)N 1P000GXM [0,1,1,0,0,0|2,0,0]=4 801 B11R1.16 C=CC[C@H](c1ccccc1)N 1P001104 [0,1,1,0,0,0|2,0,0]=4 802 B11R1.16 CC(c1ccccc1)CC#C 1P01XITB [0,1,1,0,0,0|1,0,0]=3 803 B11R1.16 CC(c1ccccc1)CC#N 1P01A5MS [0,1,1,0,0,0|0,0,1]=3 804 B11R1.16 CC(c1ccccc1)N=C=O 1P00AULA [0,1,1,0,0,0|1,0,1]=4 805 B11R1.16 CC(c1ccccc1)N=C=S 1P003F35 [0,1,1,0,0,0|1,0,1]=4 806 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [0,1,1,0,0,0|2,0,0]=4 807 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [0,1,1,0,0,0|2,0,0]=4 808 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [0,1,1,0,0,0|2,0,0]=4 809 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [0,1,1,0,0,0|2,0,0]=4 810 B11R1.16 CCCC(c1ccccn1)C 1P01EXTY [0,1,1,0,0,0|2,0,0]=4 811 B11R1.16 CCNC(c1ccccc1)C 1P0004S9 [0,1,1,0,0,0|1,0,0]=3 812 B11R1.16 CCNC(c1cccnc1)C 1P00EFBF [0,1,1,0,0,0|2,0,0]=4 813 B11R1.16 CCNC(c1cccnc1)C 1P028RTA [0,1,1,0,0,0|2,0,0]=4 814 B11R1.16 CCNC(c1ccncc1)C 1P01AKDL [0,1,1,0,0,0|2,0,0]=4 815 B11R1.16 CN(c1ccccc1)CC#C 1P0071U0 [0,1,1,0,0,0|2,0,0]=4 816 B11R1.16 CNCC(c1ccccc1)C 1P00E9JV [0,1,1,0,0,0|0,0,0]=2 817 B11R1.16 CNCC(c1ccccc1)C 1P00GWGF [0,1,1,0,0,0|0,0,0]=2 818 B11R1.16 CNCC(c1ccccc1)O 1P003QA3 [0,1,1,0,0,0|1,0,0]=3 819 B11R1.16 CNCC(c1cccnc1)O 1P01AKS6 [0,1,1,0,0,0|2,0,0]=4 820 B11R1.16 CNC[C@H](c1ccccc1)C 1P027VJM [0,1,1,0,0,0|0,0,0]=2 821 B11R1.16 COCC(c1ccccc1)Br 1P01EM9D [0,1,1,0,0,0|2,0,0]=4 822 B11R1.16 COCC(c1ccccc1)N 1P00BBXF [0,1,1,0,0,0|2,0,0]=4 823 B11R1.16 COCC(c1ccccc1)N 1P01A9V2 [0,1,1,0,0,0|2,0,0]=4 824 B11R1.16 COCC(c1ccccc1)O 1P01EMW6 [0,1,1,0,0,0|2,0,0]=4 825 B11R1.16 COCC(c1ccccc1)S 1P01DZAM [0,1,1,0,0,0|2,0,0]=4 826 B11R1.16 COC[C@@H](c1ccccc1)N 1P00EG20 [0,1,1,0,0,0|2,0,0]=4 827 B11R1.16 COC[C@@H](c1ccccc1)N 1P00IBV5 [0,1,1,0,0,0|2,0,0]=4 828 B11R1.16 COC[C@H](c1ccccc1)N 1P006PB9 [0,1,1,0,0,0|2,0,0]=4 829 B11R1.16 COC[C@H](c1ccccc1)N 1P01JX6V [0,1,1,0,0,0|2,0,0]=4 830 B11R1.16 CSCC(c1ccccc1)N 1P01AK47 [0,1,1,0,0,0|2,0,0]=4 831 B11R1.16 CSCC(c1ccccc1)N 1P028BW7 [0,1,1,0,0,0|2,0,0]=4 832 B11R1.16 C[C@@H](c1ccccc1)N=C=O 1P003CTY [0,1,1,0,0,0|1,0,1]=4 833 B11R1.16 C[C@@H](c1ccccc1)N=C=S 1P003RO0 [0,1,1,0,0,0|1,0,1]=4 834 B11R1.16 C[C@H](c1ccccc1)N=C=O 1P0032O4 [0,1,1,0,0,0|1,0,1]=4 835 B11R1.16 C[C@H](c1ccccc1)N=C=S 1P003POZ [0,1,1,0,0,0|1,0,1]=4 836 B11R1.16 ClCCC(c1ccccc1)Br 1P00BETV [0,1,1,0,0,0|2,0,0]=4 837 B11R1.16 ClCCC(c1ccccc1)O 1P000P0F [0,1,1,0,0,0|2,0,0]=4 838 B11R1.16 ClCCN(c1ccccc1)C 1P00B4QF [0,1,1,0,0,0|2,0,0]=4 839 B11R1.16 ClCC[C@@H](c1ccccc1)O 1P000210 [0,1,1,0,0,0|2,0,0]=4 840 B11R1.16 ClCC[C@H](c1ccccc1)O 1P000211 [0,1,1,0,0,0|2,0,0]=4 841 B11R1.16 NC(c1ccccc1)CC#C 1P0091EK [0,1,1,0,0,0|2,0,0]=4 842 B11R1.16 NC(c1ccccc1)CC#N 1P019ZNM [0,1,1,0,0,0|1,0,1]=4 843 B11R1.16 NC(c1ccccc1)CC#N 1P01A76R [0,1,1,0,0,0|1,0,1]=4 844 B11R1.16 NCCC(=O)c1ccccc1 1P01KXES [0,1,1,0,0,0|1,0,1]=4 845 B11R1.16 NCCC(c1ccccc1)C 1P0075ZN [0,1,1,0,0,0|0,0,0]=2 846 B11R1.16 NCCC(c1ccccc1)C 1P00J1J3 [0,1,1,0,0,0|0,0,0]=2 847 B11R1.16 NCCC(c1ccccc1)N 1P01A736 [0,1,1,0,0,0|1,0,0]=3 848 B11R1.16 NCCC(c1ccccc1)O 1P000FT8 [0,1,1,0,0,0|1,0,0]=3 849 B11R1.16 NCCC(c1ccccc1)O 1P006YZE [0,1,1,0,0,0|1,0,0]=3 850 B11R1.16 NCCC(c1ccncc1)C 1P01B9D4 [0,1,1,0,0,0|1,0,0]=3 851 B11R1.16 NCCN(c1ccccc1)C 1P001X6M [0,1,1,0,0,0|1,0,0]=3 852 B11R1.16 NCCN(c1ccccc1)C 1P00I7NL [0,1,1,0,0,0|1,0,0]=3 853 B11R1.16 NCCN(c1ccccn1)C 1P01FJST [0,1,1,0,0,0|2,0,0]=4 854 B11R1.16 NCCS(=O)c1ccccc1 1P01AHMQ [0,1,1,0,0,0|2,0,0]=4 855 B11R1.16 NCC[C@@H](c1ccccc1)O 1P000UKF [0,1,1,0,0,0|1,0,0]=3 856 B11R1.16 NCC[C@H](c1ccccc1)O 1P0019XH [0,1,1,0,0,0|1,0,0]=3 857 B11R1.16 N[C@@H](c1ccccc1)CC#N 1P01AGQM [0,1,1,0,0,0|1,0,1]=4 858 B11R1.16 O=CCC(c1ccccc1)C 1P001TO2 [0,1,1,0,0,0|1,0,0]=3 859 B11R1.16 O=CNC(c1ccccc1)C 1P00FC79 [0,1,1,0,0,0|1,0,1]=4 860 B11R1.16 OC(c1ccccc1)CC#C 1P00201G [0,1,1,0,0,0|2,0,0]=4 861 B11R1.16 OC(c1ccccc1)CC#N 1P007DUP [0,1,1,0,0,0|1,0,1]=4 862 B11R1.16 OCCC(c1ccccc1)C 1P003KBY [0,1,1,0,0,0|1,0,0]=3 863 B11R1.16 OCCC(c1ccccc1)N 1P001DZI [0,1,1,0,0,0|2,0,0]=4 864 B11R1.16 OCCC(c1ccccc1)O 1P00DGFN [0,1,1,0,0,0|2,0,0]=4 865 B11R1.16 OCCC(c1ccncc1)C 1P01EZ0E [0,1,1,0,0,0|2,0,0]=4 866 B11R1.16 OCCN(c1ccccc1)C 1P003BJB [0,1,1,0,0,0|2,0,0]=4 867 B11R1.16 OCC[C@@H](c1ccccc1)N 1P004Y9D [0,1,1,0,0,0|2,0,0]=4 868 B11R1.16 OCC[C@H](c1ccccc1)N 1P00385E [0,1,1,0,0,0|2,0,0]=4 869 B11R1.16 O[C@@H](c1ccccc1)CC#N 1P00FWTX [0,1,1,0,0,0|1,0,1]=4 870 B11R1.16 O[C@H](c1ccccc1)CC#N 1P01EMW1 [0,1,1,0,0,0|1,0,1]=4 871 B11R1.22 *CC(c1ccc(cc1)Br)* 1P00JKZF [0,1,1,0,0,0|2,0,0]=4 872 B11R1.22 BrCC(c1ccc(cc1)Br)F 1P01DVO3 [0,1,1,0,0,0|2,0,0]=4 873 B11R1.22 BrCC(c1ccc(cc1)Br)O 1P01B32O [0,1,1,0,0,0|2,0,0]=4 874 B11R1.22 BrCC(c1ccc(cc1)Cl)C 1P01BLOD [0,1,1,0,0,0|1,0,0]=3 875 B11R1.22 BrCC(c1ccc(cc1)Cl)O 1P01C2RX [0,1,1,0,0,0|2,0,0]=4 876 B11R1.22 BrCC(c1ccc(cc1)F)Br 1P00CMW8 [0,1,1,0,0,0|2,0,0]=4 877 B11R1.22 BrCC(c1ccc(cc1)F)C 1P01BLO8 [0,1,1,0,0,0|1,0,0]=3 878 B11R1.22 BrC[C@@H](c1ccc(cc1)Br)O 1P01DJ70 [0,1,1,0,0,0|2,0,0]=4 879 B11R1.22 BrC[C@@H](c1ccc(cc1)F)O 1P024ICK [0,1,1,0,0,0|2,0,0]=4 880 B11R1.22 CC(c1ccc(cc1)Br)C#N 1P00CLSN [0,1,1,0,0,0|0,0,2]=4 881 B11R1.22 CC(c1ccc(cc1)C)C#N 1P01AAZC [0,1,1,0,0,0|0,0,2]=4 882 B11R1.22 CC(c1ccc(cc1)Cl)C#N 1P00BK75 [0,1,1,0,0,0|0,0,2]=4 883 B11R1.22 CC(c1ccc(cc1)F)C#N 1P00DWK5 [0,1,1,0,0,0|0,0,2]=4 884 B11R1.22 CC(c1ccc(cc1)N)C#N 1P002WKJ [0,1,1,0,0,0|0,0,2]=4 885 B11R1.22 CCC(c1ccc(cc1)Br)N 1P005H3D [0,1,1,0,0,0|2,0,0]=4 886 B11R1.22 CCC(c1ccc(cc1)Br)N 1P019N35 [0,1,1,0,0,0|2,0,0]=4 887 B11R1.22 CCC(c1ccc(cc1)Br)O 1P00DD7W [0,1,1,0,0,0|2,0,0]=4 888 B11R1.22 CCC(c1ccc(cc1)C)N 1P0020AU [0,1,1,0,0,0|2,0,0]=4 889 B11R1.22 CCC(c1ccc(cc1)C)N 1P00J1NC [0,1,1,0,0,0|2,0,0]=4 890 B11R1.22 CCC(c1ccc(cc1)C)O 1P003DH8 [0,1,1,0,0,0|2,0,0]=4 891 B11R1.22 CCC(c1ccc(cc1)Cl)Br 1P019YD3 [0,1,1,0,0,0|2,0,0]=4 892 B11R1.22 CCC(c1ccc(cc1)Cl)N 1P00G4ZX [0,1,1,0,0,0|2,0,0]=4 893 B11R1.22 CCC(c1ccc(cc1)Cl)N 1P00GAQI [0,1,1,0,0,0|2,0,0]=4 894 B11R1.22 CCC(c1ccc(cc1)Cl)O 1P009HVZ [0,1,1,0,0,0|2,0,0]=4 895 B11R1.22 CCC(c1ccc(cc1)F)Cl 1P01AKB3 [0,1,1,0,0,0|2,0,0]=4 896 B11R1.22 CCC(c1ccc(cc1)F)N 1P005SWG [0,1,1,0,0,0|2,0,0]=4 897 B11R1.22 CCC(c1ccc(cc1)F)N 1P0096RS [0,1,1,0,0,0|2,0,0]=4 898 B11R1.22 CCC(c1ccc(cc1)F)O 1P00FETH [0,1,1,0,0,0|2,0,0]=4 899 B11R1.22 CCC(c1ccc(cc1)N)C 1P002ZWD [0,1,1,0,0,0|1,0,0]=3 900 B11R1.22 CCC(c1ccc(cc1)O)C 1P003MHH [0,1,1,0,0,0|1,0,0]=3 901 B11R1.22 CCC(c1ccc(cc1)O)C 1P00BEN8 [0,1,1,0,0,0|1,0,0]=3 902 B11R1.22 CCC(c1ccc(cc1)O)N 1P0009DJ [0,1,1,0,0,0|2,0,0]=4 903 B11R1.22 CCC(c1ccc(cc1)O)O 1P01AI01 [0,1,1,0,0,0|2,0,0]=4 904 B11R1.22 CCN(c1ccc(cc1)N)C 1P00BI80 [0,1,1,0,0,0|2,0,0]=4 905 B11R1.22 CC[C@@H](c1ccc(cc1)Br)N 1P0096MH [0,1,1,0,0,0|2,0,0]=4 906 B11R1.22 CC[C@@H](c1ccc(cc1)C)N 1P000DPU [0,1,1,0,0,0|2,0,0]=4 907 B11R1.22 CC[C@@H](c1ccc(cc1)Cl)N 1P000VZ0 [0,1,1,0,0,0|2,0,0]=4 908 B11R1.22 CC[C@@H](c1ccc(cc1)F)N 1P000F7I [0,1,1,0,0,0|2,0,0]=4 909 B11R1.22 CC[C@@H](c1ccc(cc1)F)N 1P00DLXZ [0,1,1,0,0,0|2,0,0]=4 910 B11R1.22 CC[C@@H](c1ccc(cc1)F)O 1P00AKPY [0,1,1,0,0,0|2,0,0]=4 911 B11R1.22 CC[C@@H](c1ccc(cc1)I)N 1P01XCCG [0,1,1,0,0,0|2,0,0]=4 912 B11R1.22 CC[C@H](c1ccc(cc1)Br)N 1P00GAQB [0,1,1,0,0,0|2,0,0]=4 913 B11R1.22 CC[C@H](c1ccc(cc1)Br)N 1P01DUMG [0,1,1,0,0,0|2,0,0]=4 914 B11R1.22 CC[C@H](c1ccc(cc1)Cl)N 1P001KQZ [0,1,1,0,0,0|2,0,0]=4 915 B11R1.22 CC[C@H](c1ccc(cc1)F)N 1P000DVC [0,1,1,0,0,0|2,0,0]=4 916 B11R1.22 CC[C@H](c1ccc(cc1)F)N 1P00BLNR [0,1,1,0,0,0|2,0,0]=4 917 B11R1.22 CC[C@H](c1ccc(cc1)F)O 1P00AQ92 [0,1,1,0,0,0|2,0,0]=4 918 B11R1.22 CC[C@H](c1ccc(cc1)I)N 1P01XCKG [0,1,1,0,0,0|2,0,0]=4 919 B11R1.22 CNC(c1ccc(cc1)Br)C 1P01KXN7 [0,1,1,0,0,0|2,0,0]=4 920 B11R1.22 CNC(c1ccc(cc1)C)C 1P019MEB [0,1,1,0,0,0|2,0,0]=4 921 B11R1.22 CNC(c1ccc(cc1)Cl)C 1P00CNEG [0,1,1,0,0,0|2,0,0]=4 922 B11R1.22 CNC(c1ccc(cc1)Cl)C 1P00DD5O [0,1,1,0,0,0|2,0,0]=4 923 B11R1.22 CNC(c1ccc(cc1)F)C 1P00EEPX [0,1,1,0,0,0|2,0,0]=4 924 B11R1.22 CNC(c1ccc(cc1)F)C 1P00J2DO [0,1,1,0,0,0|2,0,0]=4 925 B11R1.22 CNC(c1ccc(cc1)O)C 1P019LPK [0,1,1,0,0,0|2,0,0]=4 926 B11R1.22 CN[C@@H](c1ccc(cc1)Br)C 1P0289KJ [0,1,1,0,0,0|2,0,0]=4 927 B11R1.22 CN[C@@H](c1ccc(cc1)Cl)C 1P00BJTZ [0,1,1,0,0,0|2,0,0]=4 928 B11R1.22 CN[C@@H](c1ccc(cc1)F)C 1P006J4B [0,1,1,0,0,0|2,0,0]=4 929 B11R1.22 CN[C@@H](c1ccc(cc1)F)C 1P01XDH6 [0,1,1,0,0,0|2,0,0]=4 930 B11R1.22 CN[C@H](c1ccc(cc1)Br)C 1P00232G [0,1,1,0,0,0|2,0,0]=4 931 B11R1.22 CN[C@H](c1ccc(cc1)Br)C 1P01DUMF [0,1,1,0,0,0|2,0,0]=4 932 B11R1.22 CN[C@H](c1ccc(cc1)Cl)C 1P01BSMG [0,1,1,0,0,0|2,0,0]=4 933 B11R1.22 CN[C@H](c1ccc(cc1)Cl)C 1P01DE94 [0,1,1,0,0,0|2,0,0]=4 934 B11R1.22 CN[C@H](c1ccc(cc1)F)C 1P027X0Q [0,1,1,0,0,0|2,0,0]=4 935 B11R1.22 COC(c1ccc(cc1)Br)C 1P00EJP8 [0,1,1,0,0,0|2,0,0]=4 936 B11R1.22 COC(c1ccc(cc1)N)C 1P01EILJ [0,1,1,0,0,0|2,0,0]=4 937 B11R1.22 COC(c1ccc(cc1)O)C 1P01GDS9 [0,1,1,0,0,0|2,0,0]=4 938 B11R1.22 ClCC(c1ccc(cc1)Cl)O 1P00EB5B [0,1,1,0,0,0|2,0,0]=4 939 B11R1.22 ClC[C@@H](c1ccc(cc1)Br)O 1P019QXR [0,1,1,0,0,0|2,0,0]=4 940 B11R1.22 ClC[C@@H](c1ccc(cc1)C)O 1P01BFAY [0,1,1,0,0,0|2,0,0]=4 941 B11R1.22 ClC[C@@H](c1ccc(cc1)Cl)O 1P019QXO [0,1,1,0,0,0|2,0,0]=4 942 B11R1.22 ClC[C@@H](c1ccc(cc1)F)O 1P000TDN [0,1,1,0,0,0|2,0,0]=4 943 B11R1.22 ClC[C@H](c1ccc(cc1)Br)O 1P019QXQ [0,1,1,0,0,0|2,0,0]=4 944 B11R1.22 ClC[C@H](c1ccc(cc1)C)O 1P01BFA2 [0,1,1,0,0,0|2,0,0]=4 945 B11R1.22 ClC[C@H](c1ccc(cc1)Cl)O 1P019QXP [0,1,1,0,0,0|2,0,0]=4 946 B11R1.22 ClC[C@H](c1ccc(cc1)F)O 1P000TDO [0,1,1,0,0,0|2,0,0]=4 947 B11R1.22 FCC(c1ccc(cc1)Br)N 1P01EJPR [0,1,1,0,0,0|2,0,0]=4 948 B11R1.22 FCC(c1ccc(cc1)Br)O 1P01DW52 [0,1,1,0,0,0|2,0,0]=4 949 B11R1.22 FCC(c1ccc(cc1)C)N 1P01B31Y [0,1,1,0,0,0|2,0,0]=4 950 B11R1.22 FCC(c1ccc(cc1)C)O 1P02902W [0,1,1,0,0,0|2,0,0]=4 951 B11R1.22 FCC(c1ccc(cc1)Cl)N 1P01FJRG [0,1,1,0,0,0|2,0,0]=4 952 B11R1.22 FCC(c1ccc(cc1)F)N 1P019QO4 [0,1,1,0,0,0|2,0,0]=4 953 B11R1.22 FCC(c1ccc(cc1)F)N 1P01BSNV [0,1,1,0,0,0|2,0,0]=4 954 B11R1.22 FCC(c1ccc(cc1)F)O 1P01EC3U [0,1,1,0,0,0|2,0,0]=4 955 B11R1.22 NCC(=O)c1ccc(cc1)Br 1P003GSM [0,1,1,0,0,0|1,0,1]=4 956 B11R1.22 NCC(=O)c1ccc(cc1)Cl 1P00DEKX [0,1,1,0,0,0|1,0,1]=4 957 B11R1.22 NCC(=O)c1ccc(cc1)Cl 1P00ID79 [0,1,1,0,0,0|1,0,1]=4 958 B11R1.22 NCC(=O)c1ccc(cc1)F 1P00I8ZN [0,1,1,0,0,0|1,0,1]=4 959 B11R1.22 NCC(=O)c1ccc(cc1)F 1P01A1CC [0,1,1,0,0,0|1,0,1]=4 960 B11R1.22 NCC(=O)c1ccc(cc1)O 1P002BAP [0,1,1,0,0,0|1,0,1]=4 961 B11R1.22 NCC(c1ccc(cc1)Br)C 1P00BNUD [0,1,1,0,0,0|0,0,0]=2 962 B11R1.22 NCC(c1ccc(cc1)Br)C 1P00I5CR [0,1,1,0,0,0|0,0,0]=2 963 B11R1.22 NCC(c1ccc(cc1)Br)F 1P01DX4X [0,1,1,0,0,0|1,0,0]=3 964 B11R1.22 NCC(c1ccc(cc1)Br)O 1P00C93N [0,1,1,0,0,0|1,0,0]=3 965 B11R1.22 NCC(c1ccc(cc1)Br)O 1P00G5UD [0,1,1,0,0,0|1,0,0]=3 966 B11R1.22 NCC(c1ccc(cc1)C)C 1P01AK9Z [0,1,1,0,0,0|0,0,0]=2 967 B11R1.22 NCC(c1ccc(cc1)C)O 1P00DFV0 [0,1,1,0,0,0|1,0,0]=3 968 B11R1.22 NCC(c1ccc(cc1)C)O 1P01A1CF [0,1,1,0,0,0|1,0,0]=3 969 B11R1.22 NCC(c1ccc(cc1)Cl)N 1P01B8TX [0,1,1,0,0,0|1,0,0]=3 970 B11R1.22 NCC(c1ccc(cc1)Cl)O 1P00COXE [0,1,1,0,0,0|1,0,0]=3 971 B11R1.22 NCC(c1ccc(cc1)Cl)O 1P00IBMC [0,1,1,0,0,0|1,0,0]=3 972 B11R1.22 NCC(c1ccc(cc1)F)C 1P019XO4 [0,1,1,0,0,0|0,0,0]=2 973 B11R1.22 NCC(c1ccc(cc1)F)O 1P006ZZ6 [0,1,1,0,0,0|1,0,0]=3 974 B11R1.22 NCC(c1ccc(cc1)F)O 1P00I8D9 [0,1,1,0,0,0|1,0,0]=3 975 B11R1.22 NCC(c1ccc(cc1)O)O 1P005F75 [0,1,1,0,0,0|1,0,0]=3 976 B11R1.22 NCC(c1ccc(cn1)F)C 1P02917M [0,1,1,0,0,0|1,0,0]=3 977 B11R1.22 NC[C@@H](c1ccc(cc1)Br)O 1P028WO8 [0,1,1,0,0,0|1,0,0]=3 978 B11R1.22 NC[C@@H](c1ccc(cc1)Cl)O 1P01AM6U [0,1,1,0,0,0|1,0,0]=3 979 B11R1.22 NC[C@@H](c1ccc(cc1)F)O 1P01BEXA [0,1,1,0,0,0|1,0,0]=3 980 B11R1.22 NC[C@H](c1ccc(cc1)Br)O 1P028X1H [0,1,1,0,0,0|1,0,0]=3 981 B11R1.22 NC[C@H](c1ccc(cc1)Cl)O 1P00CL7P [0,1,1,0,0,0|1,0,0]=3 982 B11R1.22 NC[C@H](c1ccc(cc1)F)O 1P01BEX0 [0,1,1,0,0,0|1,0,0]=3 983 B11R1.22 NNC(c1ccc(cc1)Br)C 1P0170AG [0,1,1,0,0,0|1,0,0]=3 984 B11R1.22 NNC(c1ccc(cc1)Br)C 1P01A800 [0,1,1,0,0,0|1,0,0]=3 985 B11R1.22 NNC(c1ccc(cc1)Cl)C 1P01A9KK [0,1,1,0,0,0|1,0,0]=3 986 B11R1.22 NNC(c1ccc(cc1)Cl)C 1P01E17P [0,1,1,0,0,0|1,0,0]=3 987 B11R1.22 O=CC(c1ccc(cc1)Br)C 1P01C728 [0,1,1,0,0,0|1,0,1]=4 988 B11R1.22 O=CC(c1ccc(cc1)C)C 1P01BY6R [0,1,1,0,0,0|1,0,1]=4 989 B11R1.22 O=CC(c1ccc(cc1)F)C 1P01A39H [0,1,1,0,0,0|1,0,1]=4 990 B11R1.22 O=CC(c1ccc(cc1)I)C 1P01DDJW [0,1,1,0,0,0|1,0,1]=4 991 B11R1.22 OCC(c1ccc(cc1)Br)C 1P01BDW6 [0,1,1,0,0,0|1,0,0]=3 992 B11R1.22 OCC(c1ccc(cc1)Br)N 1P002DUI [0,1,1,0,0,0|2,0,0]=4 993 B11R1.22 OCC(c1ccc(cc1)Br)N 1P00I0IB [0,1,1,0,0,0|2,0,0]=4 994 B11R1.22 OCC(c1ccc(cc1)Br)O 1P00IHHB [0,1,1,0,0,0|2,0,0]=4 995 B11R1.22 OCC(c1ccc(cc1)C)N 1P00APMR [0,1,1,0,0,0|2,0,0]=4 996 B11R1.22 OCC(c1ccc(cc1)C)N 1P020LA5 [0,1,1,0,0,0|2,0,0]=4 997 B11R1.22 OCC(c1ccc(cc1)Cl)N 1P0027R0 [0,1,1,0,0,0|2,0,0]=4 998 B11R1.22 OCC(c1ccc(cc1)Cl)N 1P01A4ST [0,1,1,0,0,0|2,0,0]=4 999 B11R1.22 OCC(c1ccc(cc1)F)C 1P01DWZF [0,1,1,0,0,0|1,0,0]=3 1000 B11R1.22 OCC(c1ccc(cc1)F)N 1P001CQS [0,1,1,0,0,0|2,0,0]=4 1001 B11R1.22 OCC(c1ccc(cc1)F)N 1P009ZPR [0,1,1,0,0,0|2,0,0]=4 1002 B11R1.22 OCC(c1ccc(cc1)F)O 1P00AZQQ [0,1,1,0,0,0|2,0,0]=4 1003 B11R1.22 OCC(c1ccc(cc1)I)O 1P0292Z9 [0,1,1,0,0,0|2,0,0]=4 1004 B11R1.22 OCC(c1ccc(cc1)O)N 1P01XBLJ [0,1,1,0,0,0|2,0,0]=4 1005 B11R1.22 OCC(c1ccc(cc1)O)O 1P00BUYO [0,1,1,0,0,0|2,0,0]=4 1006 B11R1.22 OC[C@@H](c1ccc(cc1)Br)N 1P002FUR [0,1,1,0,0,0|2,0,0]=4 1007 B11R1.22 OC[C@@H](c1ccc(cc1)Br)N 1P00CAT4 [0,1,1,0,0,0|2,0,0]=4 1008 B11R1.22 OC[C@@H](c1ccc(cc1)Br)O 1P024VC5 [0,1,1,0,0,0|2,0,0]=4 1009 B11R1.22 OC[C@@H](c1ccc(cc1)C)N 1P00ELZT [0,1,1,0,0,0|2,0,0]=4 1010 B11R1.22 OC[C@@H](c1ccc(cc1)C)N 1P01KKKE [0,1,1,0,0,0|2,0,0]=4 1011 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)N 1P003AU5 [0,1,1,0,0,0|2,0,0]=4 1012 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)N 1P009ZOA [0,1,1,0,0,0|2,0,0]=4 1013 B11R1.22 OC[C@@H](c1ccc(cc1)Cl)O 1P006USY [0,1,1,0,0,0|2,0,0]=4 1014 B11R1.22 OC[C@@H](c1ccc(cc1)F)N 1P0020EW [0,1,1,0,0,0|2,0,0]=4 1015 B11R1.22 OC[C@@H](c1ccc(cc1)I)N 1P024G3H [0,1,1,0,0,0|2,0,0]=4 1016 B11R1.22 OC[C@H](c1ccc(cc1)Br)N 1P00CAT6 [0,1,1,0,0,0|2,0,0]=4 1017 B11R1.22 OC[C@H](c1ccc(cc1)Br)N 1P01DUMK [0,1,1,0,0,0|2,0,0]=4 1018 B11R1.22 OC[C@H](c1ccc(cc1)Br)O 1P024FUV [0,1,1,0,0,0|2,0,0]=4 1019 B11R1.22 OC[C@H](c1ccc(cc1)C)N 1P00CMIN [0,1,1,0,0,0|2,0,0]=4 1020 B11R1.22 OC[C@H](c1ccc(cc1)Cl)N 1P002FIM [0,1,1,0,0,0|2,0,0]=4 1021 B11R1.22 OC[C@H](c1ccc(cc1)Cl)N 1P0096MP [0,1,1,0,0,0|2,0,0]=4 1022 B11R1.22 OC[C@H](c1ccc(cc1)F)N 1P000WY1 [0,1,1,0,0,0|2,0,0]=4 1023 B11R1.22 OC[C@H](c1ccc(cc1)F)N 1P00C41E [0,1,1,0,0,0|2,0,0]=4 1024 B11R1.22 OC[C@H](c1ccc(cc1)I)N 1P01KL18 [0,1,1,0,0,0|2,0,0]=4 1025 B11R1.22 OC[C@H](c1ccc(cc1)O)N 1P01DL5N [0,1,1,0,0,0|2,0,0]=4 1026 B11R1.22 ONC(c1ccc(cc1)C)C 1P00ATXM [0,1,1,0,0,0|2,0,0]=4 1027 B11R1.22 ONC(c1ccc(cc1)F)C 1P01A40W [0,1,1,0,0,0|2,0,0]=4 1028 B11R1.23 BrCC(c1cccc(c1)Cl)C 1P01BCLB [0,1,1,0,0,0|1,0,0]=3 1029 B11R1.23 BrCC(c1cccc(c1)F)C 1P01BLO7 [0,1,1,0,0,0|1,0,0]=3 1030 B11R1.23 CC(c1cccc(n1)F)CN 1P027U1P [0,1,1,0,0,0|1,0,0]=3 1031 B11R1.23 CCC(c1cccc(c1)Br)O 1P00FF2T [0,1,1,0,0,0|2,0,0]=4 1032 B11R1.23 CCC(c1cccc(c1)C)N 1P0096O8 [0,1,1,0,0,0|2,0,0]=4 1033 B11R1.23 CCC(c1cccc(c1)C)N 1P01ASWV [0,1,1,0,0,0|2,0,0]=4 1034 B11R1.23 CCC(c1cccc(c1)Cl)N 1P00CJA3 [0,1,1,0,0,0|2,0,0]=4 1035 B11R1.23 CCC(c1cccc(c1)Cl)O 1P00CS7V [0,1,1,0,0,0|2,0,0]=4 1036 B11R1.23 CCC(c1cccc(c1)F)N 1P01KZ3R [0,1,1,0,0,0|2,0,0]=4 1037 B11R1.23 CCC(c1cccc(c1)I)O 1P021UEN [0,1,1,0,0,0|2,0,0]=4 1038 B11R1.23 CCC(c1cccc(c1)N)C 1P01BVDJ [0,1,1,0,0,0|1,0,0]=3 1039 B11R1.23 CCC(c1cccc(c1)N)O 1P01QU9R [0,1,1,0,0,0|2,0,0]=4 1040 B11R1.23 CCC(c1cccc(c1)O)N 1P01XCRJ [0,1,1,0,0,0|2,0,0]=4 1041 B11R1.23 CCC(c1cccc(c1)O)N 1P024H08 [0,1,1,0,0,0|2,0,0]=4 1042 B11R1.23 CCN(c1cccc(c1)N)C 1P00HBVW [0,1,1,0,0,0|2,0,0]=4 1043 B11R1.23 CC[C@@H](c1cccc(c1)Br)N 1P00EM0Y [0,1,1,0,0,0|2,0,0]=4 1044 B11R1.23 CC[C@@H](c1cccc(c1)Br)N 1P00GAOA [0,1,1,0,0,0|2,0,0]=4 1045 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N 1P024FXL [0,1,1,0,0,0|2,0,0]=4 1046 B11R1.23 CC[C@@H](c1cccc(c1)Cl)O 1P00AKPZ [0,1,1,0,0,0|2,0,0]=4 1047 B11R1.23 CC[C@@H](c1cccc(c1)F)N 1P000VZ1 [0,1,1,0,0,0|2,0,0]=4 1048 B11R1.23 CC[C@@H](c1cccc(c1)O)N 1P01JV6A [0,1,1,0,0,0|2,0,0]=4 1049 B11R1.23 CC[C@@H](c1cccc(c1)O)O 1P007S3H [0,1,1,0,0,0|2,0,0]=4 1050 B11R1.23 CC[C@H](c1cccc(c1)Br)N 1P00EM0X [0,1,1,0,0,0|2,0,0]=4 1051 B11R1.23 CC[C@H](c1cccc(c1)C)N 1P001ATM [0,1,1,0,0,0|2,0,0]=4 1052 B11R1.23 CC[C@H](c1cccc(c1)Cl)N 1P000DPS [0,1,1,0,0,0|2,0,0]=4 1053 B11R1.23 CC[C@H](c1cccc(c1)F)N 1P000DP4 [0,1,1,0,0,0|2,0,0]=4 1054 B11R1.23 CNC(c1cccc(c1)Br)C 1P0095Z7 [0,1,1,0,0,0|2,0,0]=4 1055 B11R1.23 CNC(c1cccc(c1)Br)C 1P01K54U [0,1,1,0,0,0|2,0,0]=4 1056 B11R1.23 CNC(c1cccc(c1)Cl)C 1P00CNEC [0,1,1,0,0,0|2,0,0]=4 1057 B11R1.23 CNC(c1cccc(c1)F)C 1P008L4O [0,1,1,0,0,0|2,0,0]=4 1058 B11R1.23 CNC(c1cccc(c1)O)C 1P01AH7Y [0,1,1,0,0,0|2,0,0]=4 1059 B11R1.23 CN[C@@H](c1cccc(c1)F)C 1P009ZOZ [0,1,1,0,0,0|2,0,0]=4 1060 B11R1.23 CN[C@@H](c1cccc(c1)F)C 1P01KKPT [0,1,1,0,0,0|2,0,0]=4 1061 B11R1.23 CN[C@H](c1cccc(c1)C)C 1P01KLGP [0,1,1,0,0,0|2,0,0]=4 1062 B11R1.23 CN[C@H](c1cccc(c1)F)C 1P009GXB [0,1,1,0,0,0|2,0,0]=4 1063 B11R1.23 CN[C@H](c1cccc(c1)F)C 1P01KL8K [0,1,1,0,0,0|2,0,0]=4 1064 B11R1.23 COC(c1cccc(c1)N)C 1P01AA5Y [0,1,1,0,0,0|2,0,0]=4 1065 B11R1.23 CSC(c1cccc(c1)N)C 1P01AHKM [0,1,1,0,0,0|2,0,0]=4 1066 B11R1.23 ClCC(c1cccc(c1)Cl)O 1P007DL8 [0,1,1,0,0,0|2,0,0]=4 1067 B11R1.23 ClC[C@@H](c1cccc(c1)Cl)O 1P007L3Z [0,1,1,0,0,0|2,0,0]=4 1068 B11R1.23 ClC[C@H](c1cccc(c1)Br)O 1P01B985 [0,1,1,0,0,0|2,0,0]=4 1069 B11R1.23 FCC(c1cccc(c1)Br)N 1P01ELM5 [0,1,1,0,0,0|2,0,0]=4 1070 B11R1.23 FCC(c1cccc(c1)Br)O 1P01DZEM [0,1,1,0,0,0|2,0,0]=4 1071 B11R1.23 FCC(c1cccc(c1)Cl)N 1P028OFX [0,1,1,0,0,0|2,0,0]=4 1072 B11R1.23 FCC(c1cccc(c1)Cl)O 1P01EMUS [0,1,1,0,0,0|2,0,0]=4 1073 B11R1.23 FCC(c1cccc(c1)F)Cl 1P028W1B [0,1,1,0,0,0|2,0,0]=4 1074 B11R1.23 FCC(c1cccc(c1)F)N 1P028A1T [0,1,1,0,0,0|2,0,0]=4 1075 B11R1.23 FC[C@@H](c1cccc(c1)Br)O 1P0290AG [0,1,1,0,0,0|2,0,0]=4 1076 B11R1.23 FC[C@@H](c1cccc(c1)Cl)O 1P02918R [0,1,1,0,0,0|2,0,0]=4 1077 B11R1.23 FC[C@H](c1cccc(c1)Br)O 1P028GH9 [0,1,1,0,0,0|2,0,0]=4 1078 B11R1.23 FC[C@H](c1cccc(c1)Cl)O 1P0290K1 [0,1,1,0,0,0|2,0,0]=4 1079 B11R1.23 FC[C@H](c1cccc(c1)F)O 1P028JSL [0,1,1,0,0,0|2,0,0]=4 1080 B11R1.23 N#CC(c1cccc(c1)C)C 1P01EK7W [0,1,1,0,0,0|0,0,2]=4 1081 B11R1.23 N#CC(c1cccc(c1)Cl)C 1P028ZTR [0,1,1,0,0,0|0,0,2]=4 1082 B11R1.23 NCC(=C)c1cccc(c1)F 1P028B4A [0,1,1,0,0,0|0,0,2]=4 1083 B11R1.23 NCC(=O)c1cccc(c1)Br 1P003GTW [0,1,1,0,0,0|1,0,1]=4 1084 B11R1.23 NCC(=O)c1cccc(c1)C 1P005GME [0,1,1,0,0,0|1,0,1]=4 1085 B11R1.23 NCC(=O)c1cccc(c1)Cl 1P00DB0W [0,1,1,0,0,0|1,0,1]=4 1086 B11R1.23 NCC(=O)c1cccc(c1)F 1P006IWV [0,1,1,0,0,0|1,0,1]=4 1087 B11R1.23 NCC(=O)c1cccc(c1)O 1P00AUN3 [0,1,1,0,0,0|1,0,1]=4 1088 B11R1.23 NCC(c1cccc(=O)[nH]1)C 1P028DVV [0,1,1,0,0,0|1,0,0]=3 1089 B11R1.23 NCC(c1cccc(c1)Br)C 1P0281OG [0,1,1,0,0,0|0,0,0]=2 1090 B11R1.23 NCC(c1cccc(c1)Br)O 1P001E7P [0,1,1,0,0,0|1,0,0]=3 1091 B11R1.23 NCC(c1cccc(c1)Br)O 1P00C7NW [0,1,1,0,0,0|1,0,0]=3 1092 B11R1.23 NCC(c1cccc(c1)C)C 1P01AL01 [0,1,1,0,0,0|0,0,0]=2 1093 B11R1.23 NCC(c1cccc(c1)C)O 1P00DNGE [0,1,1,0,0,0|1,0,0]=3 1094 B11R1.23 NCC(c1cccc(c1)Cl)C 1P024PZY [0,1,1,0,0,0|0,0,0]=2 1095 B11R1.23 NCC(c1cccc(c1)Cl)O 1P008K0Q [0,1,1,0,0,0|1,0,0]=3 1096 B11R1.23 NCC(c1cccc(c1)Cl)O 1P00DG4T [0,1,1,0,0,0|1,0,0]=3 1097 B11R1.23 NCC(c1cccc(c1)F)C 1P019YF2 [0,1,1,0,0,0|0,0,0]=2 1098 B11R1.23 NCC(c1cccc(c1)F)C 1P019YGD [0,1,1,0,0,0|0,0,0]=2 1099 B11R1.23 NCC(c1cccc(c1)F)O 1P00CJH1 [0,1,1,0,0,0|1,0,0]=3 1100 B11R1.23 NCC(c1cccc(c1)O)O 1P003UKP [0,1,1,0,0,0|1,0,0]=3 1101 B11R1.23 NC[C@@H](c1cccc(c1)Br)O 1P01B8YV [0,1,1,0,0,0|1,0,0]=3 1102 B11R1.23 NC[C@@H](c1cccc(c1)Cl)O 1P01B90T [0,1,1,0,0,0|1,0,0]=3 1103 B11R1.23 NC[C@H](c1cccc(c1)Br)N 1P01KLN2 [0,1,1,0,0,0|1,0,0]=3 1104 B11R1.23 NC[C@H](c1cccc(c1)Br)O 1P01B9K6 [0,1,1,0,0,0|1,0,0]=3 1105 B11R1.23 NC[C@H](c1cccc(c1)Cl)O 1P00DBIX [0,1,1,0,0,0|1,0,0]=3 1106 B11R1.23 NC[C@H](c1cccc(c1)F)O 1P01FIAI [0,1,1,0,0,0|1,0,0]=3 1107 B11R1.23 NN=C(c1cccc(c1)O)C 1P00EN2Y [0,1,1,0,0,0|1,0,1]=4 1108 B11R1.23 NOC(c1cccc(c1)Br)C 1P0287UF [0,1,1,0,0,0|1,0,0]=3 1109 B11R1.23 O=CC(c1cccc(c1)Br)C 1P00IB0O [0,1,1,0,0,0|1,0,1]=4 1110 B11R1.23 O=CC(c1cccc(c1)C)C 1P01FDAY [0,1,1,0,0,0|1,0,1]=4 1111 B11R1.23 O=CC(c1cccc(c1)F)C 1P00DO6C [0,1,1,0,0,0|1,0,1]=4 1112 B11R1.23 O=CC(c1cccc(c1)I)C 1P028GJY [0,1,1,0,0,0|1,0,1]=4 1113 B11R1.23 OCC(c1cccc(c1)Br)N 1P002HGT [0,1,1,0,0,0|2,0,0]=4 1114 B11R1.23 OCC(c1cccc(c1)Br)N 1P01A1GB [0,1,1,0,0,0|2,0,0]=4 1115 B11R1.23 OCC(c1cccc(c1)Br)O 1P017KQ7 [0,1,1,0,0,0|2,0,0]=4 1116 B11R1.23 OCC(c1cccc(c1)Cl)C 1P01A3Y3 [0,1,1,0,0,0|1,0,0]=3 1117 B11R1.23 OCC(c1cccc(c1)Cl)Cl 1P004AVF [0,1,1,0,0,0|2,0,0]=4 1118 B11R1.23 OCC(c1cccc(c1)Cl)N 1P0027R1 [0,1,1,0,0,0|2,0,0]=4 1119 B11R1.23 OCC(c1cccc(c1)Cl)N 1P009CQ7 [0,1,1,0,0,0|2,0,0]=4 1120 B11R1.23 OCC(c1cccc(c1)F)N 1P000W1Y [0,1,1,0,0,0|2,0,0]=4 1121 B11R1.23 OCC(c1cccc(c1)F)N 1P0027R3 [0,1,1,0,0,0|2,0,0]=4 1122 B11R1.23 OCC(c1cccc(c1)F)O 1P028PC8 [0,1,1,0,0,0|2,0,0]=4 1123 B11R1.23 OCC(c1cccc(c1)I)N 1P028MJB [0,1,1,0,0,0|2,0,0]=4 1124 B11R1.23 OCC(c1cccc(c1)N)O 1P01A2OE [0,1,1,0,0,0|2,0,0]=4 1125 B11R1.23 OCC(c1cccc(c1)O)N 1P00HY02 [0,1,1,0,0,0|2,0,0]=4 1126 B11R1.23 OC[C@@H](c1cccc(c1)Br)N 1P002KYM [0,1,1,0,0,0|2,0,0]=4 1127 B11R1.23 OC[C@@H](c1cccc(c1)Br)N 1P024G3F [0,1,1,0,0,0|2,0,0]=4 1128 B11R1.23 OC[C@@H](c1cccc(c1)C)N 1P00IHQV [0,1,1,0,0,0|2,0,0]=4 1129 B11R1.23 OC[C@@H](c1cccc(c1)C)N 1P01DULI [0,1,1,0,0,0|2,0,0]=4 1130 B11R1.23 OC[C@@H](c1cccc(c1)Cl)N 1P0032VG [0,1,1,0,0,0|2,0,0]=4 1131 B11R1.23 OC[C@@H](c1cccc(c1)Cl)N 1P009CQ6 [0,1,1,0,0,0|2,0,0]=4 1132 B11R1.23 OC[C@@H](c1cccc(c1)Cl)O 1P005PU0 [0,1,1,0,0,0|2,0,0]=4 1133 B11R1.23 OC[C@@H](c1cccc(c1)F)N 1P009ZQB [0,1,1,0,0,0|2,0,0]=4 1134 B11R1.23 OC[C@@H](c1cccc(c1)F)N 1P00A04L [0,1,1,0,0,0|2,0,0]=4 1135 B11R1.23 OC[C@@H](c1cccc(c1)F)O 1P0289Z6 [0,1,1,0,0,0|2,0,0]=4 1136 B11R1.23 OC[C@@H](c1cccc(c1)O)N 1P01XD1U [0,1,1,0,0,0|2,0,0]=4 1137 B11R1.23 OC[C@H](c1cccc(c1)Br)N 1P002KYL [0,1,1,0,0,0|2,0,0]=4 1138 B11R1.23 OC[C@H](c1cccc(c1)Br)N 1P01DE3X [0,1,1,0,0,0|2,0,0]=4 1139 B11R1.23 OC[C@H](c1cccc(c1)C)N 1P0008EZ [0,1,1,0,0,0|2,0,0]=4 1140 B11R1.23 OC[C@H](c1cccc(c1)C)N 1P01DMT6 [0,1,1,0,0,0|2,0,0]=4 1141 B11R1.23 OC[C@H](c1cccc(c1)Cl)N 1P00ECTK [0,1,1,0,0,0|2,0,0]=4 1142 B11R1.23 OC[C@H](c1cccc(c1)Cl)N 1P00FEK1 [0,1,1,0,0,0|2,0,0]=4 1143 B11R1.23 OC[C@H](c1cccc(c1)F)N 1P00A04Q [0,1,1,0,0,0|2,0,0]=4 1144 B11R1.23 OC[C@H](c1cccc(c1)F)N 1P00CILH [0,1,1,0,0,0|2,0,0]=4 1145 B11R1.23 OC[C@H](c1cccc(c1)F)O 1P024FV5 [0,1,1,0,0,0|2,0,0]=4 1146 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [0,1,1,0,0,0|2,0,0]=4 1147 B11R1.36 BrC(c1ccccc1)C(F)F 1P01EM7U [0,1,1,0,0,0|2,0,0]=4 1148 B11R1.36 CC(C(c1ccccn1)C)C 1P01EW46 [0,1,1,0,0,0|2,0,0]=4 1149 B11R1.36 CC(c1ccccc1)C(=N)N 1P00ID61 [0,1,1,0,0,0|0,0,1]=3 1150 B11R1.36 CC(c1ccccc1)C(=O)C 1P005863 [0,1,1,0,0,0|1,0,1]=4 1151 B11R1.36 CC(c1ccccc1)C(=O)N 1P01DYW4 [0,1,1,0,0,0|0,0,1]=3 1152 B11R1.36 CC(c1ccccc1)C(=O)O 1P003Q9M [0,1,1,0,0,0|1,0,1]=4 1153 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [0,1,1,0,0,0|1,0,0]=3 1154 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [0,1,1,0,0,0|0,0,0]=2 1155 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [0,1,1,0,0,0|1,0,0]=3 1156 B11R1.36 CC(c1ccncc1)C(C)C 1P01FF85 [0,1,1,0,0,0|2,0,0]=4 1157 B11R1.36 CN(c1ccccc1)C(=N)N 1P019SM4 [0,1,1,0,0,0|1,0,1]=4 1158 B11R1.36 CN(c1ccccc1)C(=O)N 1P00E08N [0,1,1,0,0,0|1,0,1]=4 1159 B11R1.36 CN(c1ccccc1)C(=S)N 1P003TOW [0,1,1,0,0,0|1,0,1]=4 1160 B11R1.36 C[C@@H](c1ccccc1)C(=O)O 1P003CXR [0,1,1,0,0,0|1,0,1]=4 1161 B11R1.36 C[C@@H](c1ccccc1)N(C)C 1P003CV1 [0,1,1,0,0,0|2,0,0]=4 1162 B11R1.36 C[C@H](c1ccccc1)C(=O)N 1P009AQG [0,1,1,0,0,0|0,0,1]=3 1163 B11R1.36 C[C@H](c1ccccc1)C(=O)O 1P003CJO [0,1,1,0,0,0|1,0,1]=4 1164 B11R1.36 C[C@H](c1ccccc1)N(C)C 1P003CMT [0,1,1,0,0,0|2,0,0]=4 1165 B11R1.36 ClC(c1ccccc1)C(=O)N 1P00FMLD [0,1,1,0,0,0|1,0,1]=4 1166 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [0,1,1,0,0,0|2,0,0]=4 1167 B11R1.36 NC(c1ccccc1)C(=O)N 1P003GTB [0,1,1,0,0,0|1,0,1]=4 1168 B11R1.36 NC(c1ccccc1)C(=O)N 1P019YJK [0,1,1,0,0,0|1,0,1]=4 1169 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [0,1,1,0,0,0|2,0,0]=4 1170 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [0,1,1,0,0,0|2,0,0]=4 1171 B11R1.36 NC(c1ccccc1)C(F)F 1P01AMBO [0,1,1,0,0,0|2,0,0]=4 1172 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [0,1,1,0,0,0|2,0,0]=4 1173 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [0,1,1,0,0,0|2,0,0]=4 1174 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P0035GT [0,1,1,0,0,0|1,0,1]=4 1175 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P00EBWG [0,1,1,0,0,0|1,0,1]=4 1176 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [0,1,1,0,0,0|2,0,0]=4 1177 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [0,1,1,0,0,0|2,0,0]=4 1178 B11R1.36 N[C@@H](c1ccccc1)C(F)F 1P01E61P [0,1,1,0,0,0|2,0,0]=4 1179 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [0,1,1,0,0,0|2,0,0]=4 1180 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [0,1,1,0,0,0|2,0,0]=4 1181 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P003POK [0,1,1,0,0,0|1,0,1]=4 1182 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P00IBVP [0,1,1,0,0,0|1,0,1]=4 1183 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [0,1,1,0,0,0|2,0,0]=4 1184 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [0,1,1,0,0,0|2,0,0]=4 1185 B11R1.36 N[C@H](c1ccccc1)C(F)F 1P01DZT4 [0,1,1,0,0,0|2,0,0]=4 1186 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [0,1,1,0,0,0|2,0,0]=4 1187 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [0,1,1,0,0,0|2,0,0]=4 1188 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [0,1,1,0,0,0|2,0,0]=4 1189 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [0,1,1,0,0,0|1,0,1]=4 1190 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [0,1,1,0,0,0|2,0,0]=4 1191 B11R1.36 OC(c1ccccc1)C(F)F 1P019DAC [0,1,1,0,0,0|2,0,0]=4 1192 B11R1.36 OC(c1ccncc1)C(N)C 1P01AAOY [0,1,1,0,0,0|2,0,0]=4 1193 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [0,1,1,0,0,0|1,0,1]=4 1194 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [0,1,1,0,0,0|2,0,0]=4 1195 B11R1.36 O[C@@H](c1ccccc1)C(F)F 1P01ALTG [0,1,1,0,0,0|2,0,0]=4 1196 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [0,1,1,0,0,0|1,0,1]=4 1197 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [0,1,1,0,0,0|2,0,0]=4 1198 B11R1.36 O[C@H](c1ccccc1)C(F)F 1P01BCSU [0,1,1,0,0,0|2,0,0]=4 1199 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [0,1,1,0,0,0|2,0,0]=4 1200 B11R1.222 BrCC(c1ccccc1Br)F 1P0292DB [0,1,1,0,0,0|2,0,0]=4 1201 B11R1.222 BrC[C@H](c1ccccc1Cl)O 1P019VDV [0,1,1,0,0,0|2,0,0]=4 1202 B11R1.222 CCC(c1ccccc1Br)N 1P009ZWX [0,1,1,0,0,0|2,0,0]=4 1203 B11R1.222 CCC(c1ccccc1Br)O 1P00FH1T [0,1,1,0,0,0|2,0,0]=4 1204 B11R1.222 CCC(c1ccccc1C)N 1P00DLYR [0,1,1,0,0,0|2,0,0]=4 1205 B11R1.222 CCC(c1ccccc1Cl)N 1P00CMK0 [0,1,1,0,0,0|2,0,0]=4 1206 B11R1.222 CCC(c1ccccc1F)N 1P00I3UW [0,1,1,0,0,0|2,0,0]=4 1207 B11R1.222 CCC(c1ccccc1N)C 1P00D8X4 [0,1,1,0,0,0|1,0,0]=3 1208 B11R1.222 CCC(c1ccccc1O)C 1P0042T9 [0,1,1,0,0,0|1,0,0]=3 1209 B11R1.222 CCC(c1ccccc1O)N 1P01AHNC [0,1,1,0,0,0|2,0,0]=4 1210 B11R1.222 CCN(c1ccccc1N)C 1P00C5P0 [0,1,1,0,0,0|2,0,0]=4 1211 B11R1.222 CCN(c1ccccc1N)C 1P0285MY [0,1,1,0,0,0|2,0,0]=4 1212 B11R1.222 CC[C@@H](c1ccccc1Cl)N 1P003BYO [0,1,1,0,0,0|2,0,0]=4 1213 B11R1.222 CC[C@@H](c1ccccc1F)N 1P000VZ2 [0,1,1,0,0,0|2,0,0]=4 1214 B11R1.222 CC[C@@H](c1ccccc1F)N 1P0090C3 [0,1,1,0,0,0|2,0,0]=4 1215 B11R1.222 CC[C@@H](c1ccccc1O)N 1P00A0AB [0,1,1,0,0,0|2,0,0]=4 1216 B11R1.222 CC[C@H](c1ccccc1Br)N 1P02029L [0,1,1,0,0,0|2,0,0]=4 1217 B11R1.222 CC[C@H](c1ccccc1C)N 1P004QN9 [0,1,1,0,0,0|2,0,0]=4 1218 B11R1.222 CC[C@H](c1ccccc1F)N 1P000DPV [0,1,1,0,0,0|2,0,0]=4 1219 B11R1.222 CNC(c1ccccc1Br)C 1P00A09X [0,1,1,0,0,0|2,0,0]=4 1220 B11R1.222 CNC(c1ccccc1C)C 1P00CNDY [0,1,1,0,0,0|2,0,0]=4 1221 B11R1.222 CNC(c1ccccc1Cl)C 1P00DIDW [0,1,1,0,0,0|2,0,0]=4 1222 B11R1.222 CNC(c1ccccc1F)C 1P006G9Q [0,1,1,0,0,0|2,0,0]=4 1223 B11R1.222 CNC(c1ccccc1O)C 1P0096TK [0,1,1,0,0,0|2,0,0]=4 1224 B11R1.222 CNC(c1ccccc1O)C 1P019LPL [0,1,1,0,0,0|2,0,0]=4 1225 B11R1.222 CN[C@@H](c1ccccc1C)C 1P01BS4Q [0,1,1,0,0,0|2,0,0]=4 1226 B11R1.222 CN[C@@H](c1ccccc1Cl)C 1P0220O2 [0,1,1,0,0,0|2,0,0]=4 1227 B11R1.222 CN[C@H](c1ccccc1C)C 1P01BS6G [0,1,1,0,0,0|2,0,0]=4 1228 B11R1.222 CN[C@H](c1ccccc1Cl)C 1P01DE5S [0,1,1,0,0,0|2,0,0]=4 1229 B11R1.222 CN[C@H](c1ccccc1Cl)C 1P01DULO [0,1,1,0,0,0|2,0,0]=4 1230 B11R1.222 COC(c1ccccc1Br)C 1P0283AX [0,1,1,0,0,0|2,0,0]=4 1231 B11R1.222 FCC(c1ccccc1Br)N 1P028SE7 [0,1,1,0,0,0|2,0,0]=4 1232 B11R1.222 FCC(c1ccccc1Br)O 1P0288PA [0,1,1,0,0,0|2,0,0]=4 1233 B11R1.222 FCC(c1ccccc1C)N 1P01FJRK [0,1,1,0,0,0|2,0,0]=4 1234 B11R1.222 FCC(c1ccccc1C)O 1P01DW8V [0,1,1,0,0,0|2,0,0]=4 1235 B11R1.222 FCC(c1ccccc1F)N 1P028IH2 [0,1,1,0,0,0|2,0,0]=4 1236 B11R1.222 FCC(c1ccccc1F)O 1P0290K8 [0,1,1,0,0,0|2,0,0]=4 1237 B11R1.222 FC[C@H](c1ccccc1F)O 1P0291DI [0,1,1,0,0,0|2,0,0]=4 1238 B11R1.222 N#CC(c1ccccc1C)C 1P00EM68 [0,1,1,0,0,0|0,0,2]=4 1239 B11R1.222 N#CC(c1ccccc1Cl)C 1P0059NE [0,1,1,0,0,0|0,0,2]=4 1240 B11R1.222 NCC(=C)c1ccccc1F 1P028BXM [0,1,1,0,0,0|0,0,2]=4 1241 B11R1.222 NCC(=O)c1ccccc1Br 1P01ALG9 [0,1,1,0,0,0|1,0,1]=4 1242 B11R1.222 NCC(=O)c1ccccc1C 1P00FC2T [0,1,1,0,0,0|1,0,1]=4 1243 B11R1.222 NCC(=O)c1ccccc1Cl 1P00AR76 [0,1,1,0,0,0|1,0,1]=4 1244 B11R1.222 NCC(=O)c1ccccc1F 1P00GW1J [0,1,1,0,0,0|1,0,1]=4 1245 B11R1.222 NCC(=O)c1ccccc1O 1P01C4S3 [0,1,1,0,0,0|1,0,1]=4 1246 B11R1.222 NCC(c1ccccc1Br)O 1P00FC1G [0,1,1,0,0,0|1,0,0]=3 1247 B11R1.222 NCC(c1ccccc1C)O 1P01AI84 [0,1,1,0,0,0|1,0,0]=3 1248 B11R1.222 NCC(c1ccccc1Cl)O 1P00BL9B [0,1,1,0,0,0|1,0,0]=3 1249 B11R1.222 NCC(c1ccccc1Cl)O 1P00I8F7 [0,1,1,0,0,0|1,0,0]=3 1250 B11R1.222 NCC(c1ccccc1F)O 1P003GSL [0,1,1,0,0,0|1,0,0]=3 1251 B11R1.222 NCC(c1ccccc1O)O 1P00BVOK [0,1,1,0,0,0|1,0,0]=3 1252 B11R1.222 NCC(c1ccncc1Br)C 1P01EM0R [0,1,1,0,0,0|1,0,0]=3 1253 B11R1.222 NCC(c1ncccc1F)C 1P02918N [0,1,1,0,0,0|1,0,0]=3 1254 B11R1.222 O=CC(c1ccccc1Br)C 1P0288HD [0,1,1,0,0,0|1,0,1]=4 1255 B11R1.222 O=CC(c1ccccc1C)C 1P028W93 [0,1,1,0,0,0|1,0,1]=4 1256 B11R1.222 O=CC(c1ccccc1Cl)C 1P02892X [0,1,1,0,0,0|1,0,1]=4 1257 B11R1.222 O=CC(c1ccccc1F)C 1P024Q0P [0,1,1,0,0,0|1,0,1]=4 1258 B11R1.222 O=CC(c1ccccc1I)C 1P028ELW [0,1,1,0,0,0|1,0,1]=4 1259 B11R1.222 OCC(c1ccccc1Br)N 1P0096SU [0,1,1,0,0,0|2,0,0]=4 1260 B11R1.222 OCC(c1ccccc1C)N 1P0096QK [0,1,1,0,0,0|2,0,0]=4 1261 B11R1.222 OCC(c1ccccc1C)N 1P024G0J [0,1,1,0,0,0|2,0,0]=4 1262 B11R1.222 OCC(c1ccccc1Cl)N 1P000XJ8 [0,1,1,0,0,0|2,0,0]=4 1263 B11R1.222 OCC(c1ccccc1Cl)N 1P01WTOO [0,1,1,0,0,0|2,0,0]=4 1264 B11R1.222 OCC(c1ccccc1F)N 1P0027R2 [0,1,1,0,0,0|2,0,0]=4 1265 B11R1.222 OCC(c1ccccc1F)N 1P01AJ3A [0,1,1,0,0,0|2,0,0]=4 1266 B11R1.222 OCC(c1ccccc1I)N 1P01EMYZ [0,1,1,0,0,0|2,0,0]=4 1267 B11R1.222 OCC(c1ccncc1Br)C 1P028PTF [0,1,1,0,0,0|2,0,0]=4 1268 B11R1.222 OC[C@@H](c1ccccc1Br)N 1P01BINE [0,1,1,0,0,0|2,0,0]=4 1269 B11R1.222 OC[C@@H](c1ccccc1Br)N 1P01JV4Y [0,1,1,0,0,0|2,0,0]=4 1270 B11R1.222 OC[C@@H](c1ccccc1C)N 1P01KL5C [0,1,1,0,0,0|2,0,0]=4 1271 B11R1.222 OC[C@@H](c1ccccc1F)N 1P01EC5J [0,1,1,0,0,0|2,0,0]=4 1272 B11R1.222 OC[C@@H](c1ccccc1F)N 1P01K0OD [0,1,1,0,0,0|2,0,0]=4 1273 B11R1.222 OC[C@H](c1ccccc1Br)N 1P01JV4G [0,1,1,0,0,0|2,0,0]=4 1274 B11R1.222 OC[C@H](c1ccccc1Br)N 1P01KKYD [0,1,1,0,0,0|2,0,0]=4 1275 B11R1.222 OC[C@H](c1ccccc1C)N 1P01KLCH [0,1,1,0,0,0|2,0,0]=4 1276 B11R1.222 OC[C@H](c1ccccc1Cl)N 1P00BJ0E [0,1,1,0,0,0|2,0,0]=4 1277 B11R1.222 OC[C@H](c1ccccc1Cl)O 1P0014OJ [0,1,1,0,0,0|2,0,0]=4 1278 B11R1.222 OC[C@H](c1ccccc1F)N 1P000WY0 [0,1,1,0,0,0|2,0,0]=4 1279 B11R1.222 OC[C@H](c1ccccc1F)N 1P00C41D [0,1,1,0,0,0|2,0,0]=4 1280 B11R1.1 BrCCCc1ccc(cc1)Br 1P01BLCU [0,1,1,0,0,0|1,0,0]=3 1281 B11R1.1 BrCCCc1ccc(cc1)C 1P01A6EG [0,1,1,0,0,0|1,0,0]=3 1282 B11R1.1 BrCCCc1ccc(cc1)Cl 1P0037IZ [0,1,1,0,0,0|1,0,0]=3 1283 B11R1.1 BrCCCc1ccc(cc1)F 1P002ORA [0,1,1,0,0,0|1,0,0]=3 1284 B11R1.1 BrCCCc1ccc(cc1)I 1P01BLFM [0,1,1,0,0,0|1,0,0]=3 1285 B11R1.1 BrCCCc1ccc(cc1)O 1P006VWS [0,1,1,0,0,0|1,0,0]=3 1286 B11R1.1 BrCCCc1ccc(nc1)Br 1P01H27Q [0,1,1,0,0,0|2,0,0]=4 1287 B11R1.1 BrCCOc1ccc(cc1)Br 1P002H45 [0,1,1,0,0,0|2,0,0]=4 1288 B11R1.1 BrCCOc1ccc(cc1)C 1P002H42 [0,1,1,0,0,0|2,0,0]=4 1289 B11R1.1 BrCCOc1ccc(cc1)Cl 1P00299J [0,1,1,0,0,0|2,0,0]=4 1290 B11R1.1 BrCCOc1ccc(cc1)F 1P00BYOR [0,1,1,0,0,0|2,0,0]=4 1291 B11R1.1 BrCCOc1ccc(cc1)O 1P00C1AZ [0,1,1,0,0,0|2,0,0]=4 1292 B11R1.1 BrCCSc1ccc(cc1)Cl 1P01A83Q [0,1,1,0,0,0|2,0,0]=4 1293 B11R1.1 BrCCSc1ccc(cc1)F 1P01B5O3 [0,1,1,0,0,0|2,0,0]=4 1294 B11R1.1 C#CCCc1ccc(cc1)O 1P020MQB [0,1,1,0,0,0|1,0,1]=4 1295 B11R1.1 C=CCCc1ccc(cc1)Br 1P00AE9C [0,1,1,0,0,0|1,0,1]=4 1296 B11R1.1 C=CCCc1ccc(cc1)O 1P00HUVT [0,1,1,0,0,0|1,0,1]=4 1297 B11R1.1 CCCC[n+]1ccc(cc1)C 1P0035TW [0,1,1,0,0,0|2,0,0]=4 1298 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003EN8 [0,1,1,0,0,0|2,0,0]=4 1299 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003EN9 [0,1,1,0,0,0|2,0,0]=4 1300 B11R1.1 CCCC[n+]1ccc(cc1)C 1P003TBQ [0,1,1,0,0,0|2,0,0]=4 1301 B11R1.1 CCCCc1ccc(cc1)Br 1P00336L [0,1,1,0,0,0|1,0,0]=3 1302 B11R1.1 CCCCc1ccc(cc1)Cl 1P001NZO [0,1,1,0,0,0|1,0,0]=3 1303 B11R1.1 CCCCc1ccc(cc1)I 1P002IZU [0,1,1,0,0,0|1,0,0]=3 1304 B11R1.1 CCCCc1ccc(cc1)N 1P003LI3 [0,1,1,0,0,0|1,0,0]=3 1305 B11R1.1 CCCCc1ccc(cc1)O 1P001UUX [0,1,1,0,0,0|1,0,0]=3 1306 B11R1.1 CCCCc1ccc(cc1)S 1P00DDOD [0,1,1,0,0,0|1,0,0]=3 1307 B11R1.1 CCCNc1ccc(cc1)Cl 1P01AE4M [0,1,1,0,0,0|2,0,0]=4 1308 B11R1.1 CCCNc1ccc(cc1)Cl 1P01AHRO [0,1,1,0,0,0|2,0,0]=4 1309 B11R1.1 CCCOc1ccc(cc1)Br 1P003ELU [0,1,1,0,0,0|2,0,0]=4 1310 B11R1.1 CCCOc1ccc(cc1)I 1P005SUU [0,1,1,0,0,0|2,0,0]=4 1311 B11R1.1 CCCOc1ccc(cc1)N 1P003MGN [0,1,1,0,0,0|2,0,0]=4 1312 B11R1.1 CCCOc1ccc(cc1)O 1P002EF3 [0,1,1,0,0,0|2,0,0]=4 1313 B11R1.1 CCCSc1ccc(cc1)Br 1P008QGI [0,1,1,0,0,0|2,0,0]=4 1314 B11R1.1 CCCSc1ccc(cc1)O 1P002EFO [0,1,1,0,0,0|2,0,0]=4 1315 B11R1.1 CCNCc1ccc(cc1)Br 1P003TGJ [0,1,1,0,0,0|2,0,0]=4 1316 B11R1.1 CCNCc1ccc(cc1)Br 1P00J2CJ [0,1,1,0,0,0|2,0,0]=4 1317 B11R1.1 CCNCc1ccc(cc1)C 1P00CJ9L [0,1,1,0,0,0|2,0,0]=4 1318 B11R1.1 CCNCc1ccc(cc1)Cl 1P0007GX [0,1,1,0,0,0|2,0,0]=4 1319 B11R1.1 CCNCc1ccc(cc1)Cl 1P003TGL [0,1,1,0,0,0|2,0,0]=4 1320 B11R1.1 CCNCc1ccc(cc1)F 1P001TJ2 [0,1,1,0,0,0|2,0,0]=4 1321 B11R1.1 CCNCc1ccc(cc1)F 1P0094SB [0,1,1,0,0,0|2,0,0]=4 1322 B11R1.1 CCNCc1ccc(cc1)N 1P0006EC [0,1,1,0,0,0|2,0,0]=4 1323 B11R1.1 CCNCc1ccc(cc1)O 1P003L1C [0,1,1,0,0,0|2,0,0]=4 1324 B11R1.1 CCNCc1ccc(cc1)O 1P01A8XI [0,1,1,0,0,0|2,0,0]=4 1325 B11R1.1 CCOCc1ccc(cc1)Br 1P00IJ6E [0,1,1,0,0,0|2,0,0]=4 1326 B11R1.1 CCOCc1ccc(cc1)C 1P01HZM1 [0,1,1,0,0,0|2,0,0]=4 1327 B11R1.1 CCOCc1ccc(cc1)N 1P019TIW [0,1,1,0,0,0|2,0,0]=4 1328 B11R1.1 CCOCc1ccc(cc1)O 1P00EH9G [0,1,1,0,0,0|2,0,0]=4 1329 B11R1.1 CCSCc1ccc(cc1)N 1P01C1X8 [0,1,1,0,0,0|2,0,0]=4 1330 B11R1.1 CNCCc1ccc(cc1)Br 1P005GJI [0,1,1,0,0,0|2,0,0]=4 1331 B11R1.1 CNCCc1ccc(cc1)C 1P002M61 [0,1,1,0,0,0|2,0,0]=4 1332 B11R1.1 CNCCc1ccc(cc1)C 1P0281GG [0,1,1,0,0,0|2,0,0]=4 1333 B11R1.1 CNCCc1ccc(cc1)Cl 1P003TNH [0,1,1,0,0,0|2,0,0]=4 1334 B11R1.1 CNCCc1ccc(cc1)F 1P00DGHB [0,1,1,0,0,0|2,0,0]=4 1335 B11R1.1 CNCCc1ccc(cc1)F 1P01EJKN [0,1,1,0,0,0|2,0,0]=4 1336 B11R1.1 CNCCc1ccc(cc1)N 1P007J2S [0,1,1,0,0,0|2,0,0]=4 1337 B11R1.1 CNCCc1ccc(cc1)O 1P000V5Z [0,1,1,0,0,0|2,0,0]=4 1338 B11R1.1 CNCCc1ccc(cc1)O 1P00BY6Y [0,1,1,0,0,0|2,0,0]=4 1339 B11R1.1 COCCc1ccc(cc1)Br 1P00EL62 [0,1,1,0,0,0|2,0,0]=4 1340 B11R1.1 COCCc1ccc(cc1)Cl 1P01C44H [0,1,1,0,0,0|2,0,0]=4 1341 B11R1.1 COCCc1ccc(cc1)N 1P004NWE [0,1,1,0,0,0|2,0,0]=4 1342 B11R1.1 COCCc1ccc(cc1)O 1P00349D [0,1,1,0,0,0|2,0,0]=4 1343 B11R1.1 CSCCc1ccc(cc1)N 1P01AAJ2 [0,1,1,0,0,0|2,0,0]=4 1344 B11R1.1 ClCCCc1ccc(cc1)Br 1P0036ZE [0,1,1,0,0,0|1,0,0]=3 1345 B11R1.1 ClCCCc1ccc(cc1)Cl 1P00EDKT [0,1,1,0,0,0|1,0,0]=3 1346 B11R1.1 ClCCOc1ccc(cc1)Cl 1P000UDE [0,1,1,0,0,0|2,0,0]=4 1347 B11R1.1 ClCCOc1ccc(cc1)F 1P01DJ6Y [0,1,1,0,0,0|2,0,0]=4 1348 B11R1.1 ClCCSc1ccc(cc1)Br 1P01AIUQ [0,1,1,0,0,0|2,0,0]=4 1349 B11R1.1 ClCCSc1ccc(cc1)C 1P002JMR [0,1,1,0,0,0|2,0,0]=4 1350 B11R1.1 ClCCSc1ccc(cc1)Cl 1P007K5K [0,1,1,0,0,0|2,0,0]=4 1351 B11R1.1 ClCCSc1ccc(cc1)F 1P00DQT6 [0,1,1,0,0,0|2,0,0]=4 1352 B11R1.1 ClCSCc1ccc(cc1)Cl 1P01ACWD [0,1,1,0,0,0|2,0,0]=4 1353 B11R1.1 FCCOc1ccc(cc1)Br 1P00C1FN [0,1,1,0,0,0|2,0,0]=4 1354 B11R1.1 FCCOc1ccc(cc1)N 1P01CAV0 [0,1,1,0,0,0|2,0,0]=4 1355 B11R1.1 FCCOc1ccc(cc1)O 1P01H4HE [0,1,1,0,0,0|2,0,0]=4 1356 B11R1.1 ICCCc1ccc(cc1)F 1P0077E5 [0,1,1,0,0,0|1,0,0]=3 1357 B11R1.1 N#CCCc1ccc(cc1)Br 1P00EAIK [0,1,1,0,0,0|0,0,2]=4 1358 B11R1.1 N#CCCc1ccc(cc1)Cl 1P00BY90 [0,1,1,0,0,0|0,0,2]=4 1359 B11R1.1 N#CCCc1ccc(cc1)F 1P00BIJZ [0,1,1,0,0,0|0,0,2]=4 1360 B11R1.1 N#CCCc1ccc(cc1)N 1P01C0OF [0,1,1,0,0,0|0,0,2]=4 1361 B11R1.1 N#CCCc1ccc(cc1)N 1P028DQU [0,1,1,0,0,0|0,0,2]=4 1362 B11R1.1 N#CCCc1ccc(cc1)O 1P001ZJL [0,1,1,0,0,0|0,0,2]=4 1363 B11R1.1 NC1=CC=C(C=C1)CCCN 1P01G057 [0,1,1,0,0,0|0,0,0]=2 1364 B11R1.1 NCC#Cc1ccc(cc1)Cl 1P01KLRA [0,1,1,0,0,0|0,0,2]=4 1365 B11R1.1 NCC#Cc1ccc(cc1)I 1P028BII [0,1,1,0,0,0|0,0,2]=4 1366 B11R1.1 NCC=Cc1ccc(cc1)Br 1P01APOH [0,1,1,0,0,0|0,0,2]=4 1367 B11R1.1 NCCCc1ccc(cc1)Br 1P00FHQ2 [0,1,1,0,0,0|0,0,0]=2 1368 B11R1.1 NCCCc1ccc(cc1)Br 1P0284CP [0,1,1,0,0,0|0,0,0]=2 1369 B11R1.1 NCCCc1ccc(cc1)C 1P00DDD0 [0,1,1,0,0,0|0,0,0]=2 1370 B11R1.1 NCCCc1ccc(cc1)C 1P028H08 [0,1,1,0,0,0|0,0,0]=2 1371 B11R1.1 NCCCc1ccc(cc1)Cl 1P0038D9 [0,1,1,0,0,0|0,0,0]=2 1372 B11R1.1 NCCCc1ccc(cc1)Cl 1P01A8XK [0,1,1,0,0,0|0,0,0]=2 1373 B11R1.1 NCCCc1ccc(cc1)F 1P00052B [0,1,1,0,0,0|0,0,0]=2 1374 B11R1.1 NCCCc1ccc(cc1)F 1P01DP7M [0,1,1,0,0,0|0,0,0]=2 1375 B11R1.1 NCCCc1ccc(cc1)I 1P027W38 [0,1,1,0,0,0|0,0,0]=2 1376 B11R1.1 NCCCc1ccc(cc1)O 1P00VTXU [0,1,1,0,0,0|0,0,0]=2 1377 B11R1.1 NCCCc1ccc(nc1)C 1P00HB7W [0,1,1,0,0,0|1,0,0]=3 1378 B11R1.1 NCCCc1ccc(nc1)Cl 1P028Z8B [0,1,1,0,0,0|1,0,0]=3 1379 B11R1.1 NCCNc1ccc(cc1)Br 1P01JM37 [0,1,1,0,0,0|1,0,0]=3 1380 B11R1.1 NCCNc1ccc(cc1)C 1P01GDZV [0,1,1,0,0,0|1,0,0]=3 1381 B11R1.1 NCCNc1ccc(cc1)F 1P00DKA9 [0,1,1,0,0,0|1,0,0]=3 1382 B11R1.1 NCCNc1ccc(cc1)O 1P028PSC [0,1,1,0,0,0|1,0,0]=3 1383 B11R1.1 NCCNc1ccc(cn1)Br 1P000HTJ [0,1,1,0,0,0|2,0,0]=4 1384 B11R1.1 NCCNc1ccc(cn1)Br 1P002CM4 [0,1,1,0,0,0|2,0,0]=4 1385 B11R1.1 NCCNc1ccc(cn1)C 1P004CH7 [0,1,1,0,0,0|2,0,0]=4 1386 B11R1.1 NCCNc1ccc(cn1)C 1P01AJZ7 [0,1,1,0,0,0|2,0,0]=4 1387 B11R1.1 NCCNc1ccc(cn1)F 1P01DVK9 [0,1,1,0,0,0|2,0,0]=4 1388 B11R1.1 NCCOc1ccc(cc1)Br 1P002U8G [0,1,1,0,0,0|1,0,0]=3 1389 B11R1.1 NCCOc1ccc(cc1)Br 1P00FM0T [0,1,1,0,0,0|1,0,0]=3 1390 B11R1.1 NCCOc1ccc(cc1)C 1P002U8F [0,1,1,0,0,0|1,0,0]=3 1391 B11R1.1 NCCOc1ccc(cc1)C 1P01DX6C [0,1,1,0,0,0|1,0,0]=3 1392 B11R1.1 NCCOc1ccc(cc1)Cl 1P00J2CR [0,1,1,0,0,0|1,0,0]=3 1393 B11R1.1 NCCOc1ccc(cc1)F 1P002TA9 [0,1,1,0,0,0|1,0,0]=3 1394 B11R1.1 NCCOc1ccc(cc1)F 1P003FCT [0,1,1,0,0,0|1,0,0]=3 1395 B11R1.1 NCCOc1ccc(cc1)F 1P00J1XR [0,1,1,0,0,0|1,0,0]=3 1396 B11R1.1 NCCOc1ccc(cc1)I 1P00AO0N [0,1,1,0,0,0|1,0,0]=3 1397 B11R1.1 NCCOc1ccc(cc1)N 1P00FJM4 [0,1,1,0,0,0|1,0,0]=3 1398 B11R1.1 NCCOc1ccc(cc1)N 1P00HVID [0,1,1,0,0,0|1,0,0]=3 1399 B11R1.1 NCCOc1ccc(cc1)O 1P006XS8 [0,1,1,0,0,0|1,0,0]=3 1400 B11R1.1 NCCOc1ccc(cn1)Br 1P028B5Y [0,1,1,0,0,0|2,0,0]=4 1401 B11R1.1 NCCOc1ccc(cn1)C 1P028R0V [0,1,1,0,0,0|2,0,0]=4 1402 B11R1.1 NCCOc1ccc(cn1)Cl 1P01A0J0 [0,1,1,0,0,0|2,0,0]=4 1403 B11R1.1 NCCOc1ccc(nc1)Br 1P027VDP [0,1,1,0,0,0|2,0,0]=4 1404 B11R1.1 NCCOc1ccc(nc1)F 1P0292RK [0,1,1,0,0,0|2,0,0]=4 1405 B11R1.1 NCCSc1ccc(cc1)Br 1P00FM8E [0,1,1,0,0,0|1,0,0]=3 1406 B11R1.1 NCCSc1ccc(cc1)Br 1P019JLT [0,1,1,0,0,0|1,0,0]=3 1407 B11R1.1 NCCSc1ccc(cc1)C 1P007OKE [0,1,1,0,0,0|1,0,0]=3 1408 B11R1.1 NCCSc1ccc(cc1)Cl 1P007BOW [0,1,1,0,0,0|1,0,0]=3 1409 B11R1.1 NCCSc1ccc(cc1)F 1P00VVLI [0,1,1,0,0,0|1,0,0]=3 1410 B11R1.1 NC\C=C\c1ccc(cc1)Br 1P024HE2 [0,1,1,0,0,0|0,0,2]=4 1411 B11R1.1 NC\C=C\c1ccc(cc1)F 1P028FG3 [0,1,1,0,0,0|0,0,2]=4 1412 B11R1.1 O=CCCc1ccc(cc1)Br 1P0051VF [0,1,1,0,0,0|1,0,1]=4 1413 B11R1.1 O=CCCc1ccc(cc1)Cl 1P008Q2P [0,1,1,0,0,0|1,0,1]=4 1414 B11R1.1 O=CCCc1ccc(cc1)F 1P00EG6O [0,1,1,0,0,0|1,0,1]=4 1415 B11R1.1 O=CCCc1ccc(cc1)I 1P01BUL9 [0,1,1,0,0,0|1,0,1]=4 1416 B11R1.1 O=CCCc1ccc(cc1)O 1P0028NJ [0,1,1,0,0,0|1,0,1]=4 1417 B11R1.1 OCCCc1ccc(cc1)Br 1P003LG7 [0,1,1,0,0,0|1,0,0]=3 1418 B11R1.1 OCCCc1ccc(cc1)C 1P00DGBS [0,1,1,0,0,0|1,0,0]=3 1419 B11R1.1 OCCCc1ccc(cc1)Cl 1P00EABC [0,1,1,0,0,0|1,0,0]=3 1420 B11R1.1 OCCCc1ccc(cc1)F 1P005XDJ [0,1,1,0,0,0|1,0,0]=3 1421 B11R1.1 OCCCc1ccc(cc1)N 1P001DTD [0,1,1,0,0,0|1,0,0]=3 1422 B11R1.1 OCCCc1ccc(cc1)O 1P000734 [0,1,1,0,0,0|1,0,0]=3 1423 B11R1.1 OCCCc1ccc(cn1)Br 1P01OUH9 [0,1,1,0,0,0|2,0,0]=4 1424 B11R1.1 OCCCc1ccc(nc1)Br 1P00FI1M [0,1,1,0,0,0|2,0,0]=4 1425 B11R1.1 OCCCc1ccc(nc1)C 1P01ACVH [0,1,1,0,0,0|2,0,0]=4 1426 B11R1.1 OCCNc1ccc(cc1)Br 1P01A04W [0,1,1,0,0,0|2,0,0]=4 1427 B11R1.1 OCCNc1ccc(cc1)F 1P00ICHN [0,1,1,0,0,0|2,0,0]=4 1428 B11R1.1 OCCNc1ccc(cc1)N 1P00B3XU [0,1,1,0,0,0|2,0,0]=4 1429 B11R1.1 OCCOc1ccc(cc1)Br 1P00C0MX [0,1,1,0,0,0|2,0,0]=4 1430 B11R1.1 OCCOc1ccc(cc1)C 1P001NU1 [0,1,1,0,0,0|2,0,0]=4 1431 B11R1.1 OCCOc1ccc(cc1)Cl 1P002IJ8 [0,1,1,0,0,0|2,0,0]=4 1432 B11R1.1 OCCOc1ccc(cc1)F 1P002YAD [0,1,1,0,0,0|2,0,0]=4 1433 B11R1.1 OCCOc1ccc(cc1)I 1P01EV5Z [0,1,1,0,0,0|2,0,0]=4 1434 B11R1.1 OCCOc1ccc(cc1)N 1P00J6OE [0,1,1,0,0,0|2,0,0]=4 1435 B11R1.1 OCCOc1ccc(cc1)O 1P009Z1A [0,1,1,0,0,0|2,0,0]=4 1436 B11R1.1 OCCSc1ccc(cc1)Br 1P00AXJC [0,1,1,0,0,0|2,0,0]=4 1437 B11R1.1 OCCSc1ccc(cc1)Cl 1P007MJA [0,1,1,0,0,0|2,0,0]=4 1438 B11R1.1 SCCNc1ccc(cc1)F 1P00291M [0,1,1,0,0,0|2,0,0]=4 1439 B11R1.17 BrCCCc1ccccc1Br 1P01BLHY [0,1,1,0,0,0|1,0,0]=3 1440 B11R1.17 BrCCCc1ccccc1C 1P019ZBO [0,1,1,0,0,0|1,0,0]=3 1441 B11R1.17 BrCCCc1ccccc1Cl 1P00DAUT [0,1,1,0,0,0|1,0,0]=3 1442 B11R1.17 BrCCCc1ccccc1F 1P000ZHO [0,1,1,0,0,0|1,0,0]=3 1443 B11R1.17 BrCCCc1ccccc1O 1P01QLLI [0,1,1,0,0,0|1,0,0]=3 1444 B11R1.17 BrCCOc1ccccc1Br 1P002H47 [0,1,1,0,0,0|2,0,0]=4 1445 B11R1.17 BrCCOc1ccccc1C 1P002H43 [0,1,1,0,0,0|2,0,0]=4 1446 B11R1.17 BrCCOc1ccccc1Cl 1P002H48 [0,1,1,0,0,0|2,0,0]=4 1447 B11R1.17 BrCCOc1ccccc1F 1P00APIZ [0,1,1,0,0,0|2,0,0]=4 1448 B11R1.17 C=CCCc1ccccc1Br 1P003KFV [0,1,1,0,0,0|1,0,1]=4 1449 B11R1.17 C=CCCc1ccccc1N 1P00ICGJ [0,1,1,0,0,0|1,0,1]=4 1450 B11R1.17 CCCCc1ccccc1N 1P003I8I [0,1,1,0,0,0|1,0,0]=3 1451 B11R1.17 CCCNc1ccccc1F 1P00J619 [0,1,1,0,0,0|2,0,0]=4 1452 B11R1.17 CCCNc1ccccc1N 1P00DO1P [0,1,1,0,0,0|2,0,0]=4 1453 B11R1.17 CCCOc1ccccc1Br 1P01ACEG [0,1,1,0,0,0|2,0,0]=4 1454 B11R1.17 CCCOc1ccccc1F 1P002953 [0,1,1,0,0,0|2,0,0]=4 1455 B11R1.17 CCCOc1ccccc1N 1P003ID7 [0,1,1,0,0,0|2,0,0]=4 1456 B11R1.17 CCCOc1ccccc1N 1P0071Y7 [0,1,1,0,0,0|2,0,0]=4 1457 B11R1.17 CCCOc1ccccc1O 1P00EBPB [0,1,1,0,0,0|2,0,0]=4 1458 B11R1.17 CCCSc1ccccc1Cl 1P01EW2Z [0,1,1,0,0,0|2,0,0]=4 1459 B11R1.17 CCCSc1ccccc1N 1P00J4GQ [0,1,1,0,0,0|2,0,0]=4 1460 B11R1.17 CCNCc1ccccc1Br 1P01B8KE [0,1,1,0,0,0|2,0,0]=4 1461 B11R1.17 CCNCc1ccccc1C 1P00EL3S [0,1,1,0,0,0|2,0,0]=4 1462 B11R1.17 CCNCc1ccccc1C 1P00J2C5 [0,1,1,0,0,0|2,0,0]=4 1463 B11R1.17 CCNCc1ccccc1Cl 1P00EEQM [0,1,1,0,0,0|2,0,0]=4 1464 B11R1.17 CCNCc1ccccc1Cl 1P00J256 [0,1,1,0,0,0|2,0,0]=4 1465 B11R1.17 CCNCc1ccccc1F 1P00EEO8 [0,1,1,0,0,0|2,0,0]=4 1466 B11R1.17 CCNCc1ccccc1F 1P00J27A [0,1,1,0,0,0|2,0,0]=4 1467 B11R1.17 CCNCc1ccccc1N 1P01C4DL [0,1,1,0,0,0|2,0,0]=4 1468 B11R1.17 CCNCc1ccccc1O 1P0094L1 [0,1,1,0,0,0|2,0,0]=4 1469 B11R1.17 CCOCc1ccccc1N 1P019VHZ [0,1,1,0,0,0|2,0,0]=4 1470 B11R1.17 CNCCc1ccccc1Br 1P01BGGG [0,1,1,0,0,0|2,0,0]=4 1471 B11R1.17 CNCCc1ccccc1Br 1P01BGHB [0,1,1,0,0,0|2,0,0]=4 1472 B11R1.17 CNCCc1ccccc1C 1P00G8WN [0,1,1,0,0,0|2,0,0]=4 1473 B11R1.17 CNCCc1ccccc1Cl 1P02841D [0,1,1,0,0,0|2,0,0]=4 1474 B11R1.17 CNCCc1ccccc1F 1P003D7I [0,1,1,0,0,0|2,0,0]=4 1475 B11R1.17 CNCCc1ccccc1O 1P01A6W9 [0,1,1,0,0,0|2,0,0]=4 1476 B11R1.17 COCCc1ccccc1N 1P01B1SZ [0,1,1,0,0,0|2,0,0]=4 1477 B11R1.17 COCCc1ccccc1O 1P00C9JD [0,1,1,0,0,0|2,0,0]=4 1478 B11R1.17 CSCCc1ccccc1N 1P01C0LF [0,1,1,0,0,0|2,0,0]=4 1479 B11R1.17 Cc1ccncc1CCCBr 1P028N3R [0,1,1,0,0,0|2,0,0]=4 1480 B11R1.17 Cc1ccncc1CCCO 1P01ADPA [0,1,1,0,0,0|2,0,0]=4 1481 B11R1.17 Cc1ncccc1CCCN 1P01DXQ8 [0,1,1,0,0,0|1,0,0]=3 1482 B11R1.17 ClCCCc1ccccc1Br 1P01A6XT [0,1,1,0,0,0|1,0,0]=3 1483 B11R1.17 ClCCCc1ccccc1Cl 1P01A6XJ [0,1,1,0,0,0|1,0,0]=3 1484 B11R1.17 ClCCSc1ccccc1F 1P019PL2 [0,1,1,0,0,0|2,0,0]=4 1485 B11R1.17 FCCOc1ccccc1N 1P00B19H [0,1,1,0,0,0|2,0,0]=4 1486 B11R1.17 FCCOc1ccccc1O 1P028RKN [0,1,1,0,0,0|2,0,0]=4 1487 B11R1.17 N#CCCc1ccccc1Br 1P00EK1M [0,1,1,0,0,0|0,0,2]=4 1488 B11R1.17 N#CCCc1ccccc1Cl 1P003BQP [0,1,1,0,0,0|0,0,2]=4 1489 B11R1.17 NCCCc1ccccc1Br 1P003IGX [0,1,1,0,0,0|0,0,0]=2 1490 B11R1.17 NCCCc1ccccc1C 1P01A86S [0,1,1,0,0,0|0,0,0]=2 1491 B11R1.17 NCCCc1ccccc1C 1P028ND0 [0,1,1,0,0,0|0,0,0]=2 1492 B11R1.17 NCCCc1ccccc1Cl 1P007SQO [0,1,1,0,0,0|0,0,0]=2 1493 B11R1.17 NCCCc1ccccc1Cl 1P00J3GT [0,1,1,0,0,0|0,0,0]=2 1494 B11R1.17 NCCCc1ccccc1F 1P00J226 [0,1,1,0,0,0|0,0,0]=2 1495 B11R1.17 NCCCc1ccccc1F 1P00J3O4 [0,1,1,0,0,0|0,0,0]=2 1496 B11R1.17 NCCCc1ccccc1N 1P01H9WR [0,1,1,0,0,0|0,0,0]=2 1497 B11R1.17 NCCCc1ccccc1O 1P0293LH [0,1,1,0,0,0|0,0,0]=2 1498 B11R1.17 NCCCc1cccnc1F 1P028AIK [0,1,1,0,0,0|1,0,0]=3 1499 B11R1.17 NCCCc1cccnc1N 1P01EKLN [0,1,1,0,0,0|1,0,0]=3 1500 B11R1.17 NCCCc1ccncc1C 1P01DXLM [0,1,1,0,0,0|1,0,0]=3 1501 B11R1.17 NCCCc1ncccc1F 1P027WZ2 [0,1,1,0,0,0|1,0,0]=3 1502 B11R1.17 NCCCn1ccccc1=O 1P0008JI [0,1,1,0,0,0|1,0,0]=3 1503 B11R1.17 NCCCn1ccccc1=O 1P00J324 [0,1,1,0,0,0|1,0,0]=3 1504 B11R1.17 NCCCn1cccnc1=O 1P01BGZ2 [0,1,1,0,0,0|2,0,0]=4 1505 B11R1.17 NCCNc1ccccc1N 1P000Z7A [0,1,1,0,0,0|1,0,0]=3 1506 B11R1.17 NCCNc1ccncc1C 1P00GW91 [0,1,1,0,0,0|2,0,0]=4 1507 B11R1.17 NCCNc1ncccc1Br 1P02803Z [0,1,1,0,0,0|2,0,0]=4 1508 B11R1.17 NCCNc1ncccc1C 1P008MKQ [0,1,1,0,0,0|2,0,0]=4 1509 B11R1.17 NCCOc1ccccc1Br 1P00BNU5 [0,1,1,0,0,0|1,0,0]=3 1510 B11R1.17 NCCOc1ccccc1Br 1P019X6V [0,1,1,0,0,0|1,0,0]=3 1511 B11R1.17 NCCOc1ccccc1C 1P002U8E [0,1,1,0,0,0|1,0,0]=3 1512 B11R1.17 NCCOc1ccccc1C 1P00J2FT [0,1,1,0,0,0|1,0,0]=3 1513 B11R1.17 NCCOc1ccccc1Cl 1P002TEN [0,1,1,0,0,0|1,0,0]=3 1514 B11R1.17 NCCOc1ccccc1F 1P003F8C [0,1,1,0,0,0|1,0,0]=3 1515 B11R1.17 NCCOc1ccccc1F 1P00BSL5 [0,1,1,0,0,0|1,0,0]=3 1516 B11R1.17 NCCOc1ccccc1N 1P02806I [0,1,1,0,0,0|1,0,0]=3 1517 B11R1.17 NCCOc1ccccc1O 1P028U16 [0,1,1,0,0,0|1,0,0]=3 1518 B11R1.17 NCCOc1cccnc1C 1P027ZQP [0,1,1,0,0,0|2,0,0]=4 1519 B11R1.17 NCCOc1cccnc1Cl 1P027VIX [0,1,1,0,0,0|2,0,0]=4 1520 B11R1.17 NCCOc1cccnc1F 1P027VD7 [0,1,1,0,0,0|2,0,0]=4 1521 B11R1.17 NCCOc1cccnc1O 1P027ZT3 [0,1,1,0,0,0|2,0,0]=4 1522 B11R1.17 NCCOc1ncccc1Br 1P028BDX [0,1,1,0,0,0|2,0,0]=4 1523 B11R1.17 NCCOc1ncccc1Cl 1P01A0IZ [0,1,1,0,0,0|2,0,0]=4 1524 B11R1.17 NCCOc1ncccc1F 1P01A26W [0,1,1,0,0,0|2,0,0]=4 1525 B11R1.17 NCCSc1ccccc1F 1P01AIMM [0,1,1,0,0,0|1,0,0]=3 1526 B11R1.17 NCCSc1ccccc1F 1P028VDK [0,1,1,0,0,0|1,0,0]=3 1527 B11R1.17 NNCCc1ccccc1F 1P01A1G0 [0,1,1,0,0,0|1,0,0]=3 1528 B11R1.17 O=CCCc1ccccc1Br 1P007EY4 [0,1,1,0,0,0|1,0,1]=4 1529 B11R1.17 O=CCCc1ccccc1Cl 1P001PX4 [0,1,1,0,0,0|1,0,1]=4 1530 B11R1.17 O=CCCc1ccccc1F 1P0020TU [0,1,1,0,0,0|1,0,1]=4 1531 B11R1.17 OCCCc1ccccc1Br 1P003IH2 [0,1,1,0,0,0|1,0,0]=3 1532 B11R1.17 OCCCc1ccccc1C 1P00AKMS [0,1,1,0,0,0|1,0,0]=3 1533 B11R1.17 OCCCc1ccccc1Cl 1P00EG6L [0,1,1,0,0,0|1,0,0]=3 1534 B11R1.17 OCCCc1ccccc1F 1P008PWR [0,1,1,0,0,0|1,0,0]=3 1535 B11R1.17 OCCCc1ccccc1N 1P00ELQ8 [0,1,1,0,0,0|1,0,0]=3 1536 B11R1.17 OCCCc1ccccc1N 1P01WU2M [0,1,1,0,0,0|1,0,0]=3 1537 B11R1.17 OCCCc1cccnc1Cl 1P01B7X0 [0,1,1,0,0,0|2,0,0]=4 1538 B11R1.17 OCCCc1ccncc1Br 1P002LYB [0,1,1,0,0,0|2,0,0]=4 1539 B11R1.17 OCCCc1ncccc1C 1P01IM7K [0,1,1,0,0,0|2,0,0]=4 1540 B11R1.17 OCCCn1ccccc1=O 1P01AB5O [0,1,1,0,0,0|2,0,0]=4 1541 B11R1.17 OCCNc1ccccc1Br 1P004IUI [0,1,1,0,0,0|2,0,0]=4 1542 B11R1.17 OCCNc1ccccc1C 1P009DSY [0,1,1,0,0,0|2,0,0]=4 1543 B11R1.17 OCCNc1ccccc1N 1P0071BA [0,1,1,0,0,0|2,0,0]=4 1544 B11R1.17 OCCNc1ccccc1N 1P00GA2T [0,1,1,0,0,0|2,0,0]=4 1545 B11R1.17 OCCOc1ccccc1Br 1P00CMXS [0,1,1,0,0,0|2,0,0]=4 1546 B11R1.17 OCCOc1ccccc1C 1P00F3TS [0,1,1,0,0,0|2,0,0]=4 1547 B11R1.17 OCCOc1ccccc1F 1P01AJ5S [0,1,1,0,0,0|2,0,0]=4 1548 B11R1.17 OCCOc1ccccc1N 1P00CKL8 [0,1,1,0,0,0|2,0,0]=4 1549 B11R1.17 OCCOc1ccccc1N 1P028OSU [0,1,1,0,0,0|2,0,0]=4 1550 B11R1.17 OCCOc1ccccc1O 1P003F8K [0,1,1,0,0,0|2,0,0]=4 1551 B11R1.24 BrCCCc1cccc(c1)Br 1P01BLCH [0,1,1,0,0,0|1,0,0]=3 1552 B11R1.24 BrCCCc1cccc(c1)C 1P01A5L7 [0,1,1,0,0,0|1,0,0]=3 1553 B11R1.24 BrCCCc1cccc(c1)Cl 1P006RIG [0,1,1,0,0,0|1,0,0]=3 1554 B11R1.24 BrCCCc1cccc(c1)F 1P00HYVW [0,1,1,0,0,0|1,0,0]=3 1555 B11R1.24 BrCCOc1cccc(c1)Br 1P002H46 [0,1,1,0,0,0|2,0,0]=4 1556 B11R1.24 BrCCOc1cccc(c1)C 1P00EA3I [0,1,1,0,0,0|2,0,0]=4 1557 B11R1.24 BrCCOc1cccc(c1)Cl 1P00EA3F [0,1,1,0,0,0|2,0,0]=4 1558 B11R1.24 BrCCOc1cccc(c1)F 1P00GNMS [0,1,1,0,0,0|2,0,0]=4 1559 B11R1.24 BrCCSc1cccc(c1)C 1P01B5AT [0,1,1,0,0,0|2,0,0]=4 1560 B11R1.24 BrCCSc1cccc(c1)Cl 1P01B5IM [0,1,1,0,0,0|2,0,0]=4 1561 B11R1.24 BrCCSc1cccc(c1)F 1P01B5LJ [0,1,1,0,0,0|2,0,0]=4 1562 B11R1.24 C=CCCc1cccc(c1)Br 1P001SOX [0,1,1,0,0,0|1,0,1]=4 1563 B11R1.24 C=CCCc1cccc(c1)Cl 1P00GW9B [0,1,1,0,0,0|1,0,1]=4 1564 B11R1.24 C=CCCc1cccc(c1)O 1P028OEQ [0,1,1,0,0,0|1,0,1]=4 1565 B11R1.24 CCCC[n+]1cccc(c1)C 1P000OQM [0,1,1,0,0,0|2,0,0]=4 1566 B11R1.24 CCCC[n+]1cccc(c1)C 1P002U7S [0,1,1,0,0,0|2,0,0]=4 1567 B11R1.24 CCCC[n+]1cccc(c1)C 1P003F0P [0,1,1,0,0,0|2,0,0]=4 1568 B11R1.24 CCCC[n+]1cccc(c1)C 1P003TBO [0,1,1,0,0,0|2,0,0]=4 1569 B11R1.24 CCCC[n+]1cccc(c1)C 1P006AIC [0,1,1,0,0,0|2,0,0]=4 1570 B11R1.24 CCCCc1cc(Br)ccn1 1P028SE8 [0,1,1,0,0,0|2,0,0]=4 1571 B11R1.24 CCCCc1cccc(c1)Br 1P00IA9J [0,1,1,0,0,0|1,0,0]=3 1572 B11R1.24 CCCCc1cccc(c1)F 1P007R6O [0,1,1,0,0,0|1,0,0]=3 1573 B11R1.24 CCCCc1cccc(c1)I 1P01FG1G [0,1,1,0,0,0|1,0,0]=3 1574 B11R1.24 CCCCc1cccc(c1)N 1P00E17Q [0,1,1,0,0,0|1,0,0]=3 1575 B11R1.24 CCCCc1cccc(n1)F 1P01EXUY [0,1,1,0,0,0|2,0,0]=4 1576 B11R1.24 CCCCc1cccc(n1)N 1P00IJG7 [0,1,1,0,0,0|2,0,0]=4 1577 B11R1.24 CCCNc1cccc(c1)N 1P001OFW [0,1,1,0,0,0|2,0,0]=4 1578 B11R1.24 CCCOc1cccc(c1)Br 1P00AXCY [0,1,1,0,0,0|2,0,0]=4 1579 B11R1.24 CCCOc1cccc(c1)I 1P01BV92 [0,1,1,0,0,0|2,0,0]=4 1580 B11R1.24 CCCOc1cccc(c1)N 1P00E08Z [0,1,1,0,0,0|2,0,0]=4 1581 B11R1.24 CCCOc1cccc(c1)O 1P001WKO [0,1,1,0,0,0|2,0,0]=4 1582 B11R1.24 CCCSc1cccc(c1)Cl 1P00HZZX [0,1,1,0,0,0|2,0,0]=4 1583 B11R1.24 CCCSc1cccc(c1)N 1P01SYJ2 [0,1,1,0,0,0|2,0,0]=4 1584 B11R1.24 CCNCc1cccc(c1)Br 1P003TGE [0,1,1,0,0,0|2,0,0]=4 1585 B11R1.24 CCNCc1cccc(c1)Br 1P00J289 [0,1,1,0,0,0|2,0,0]=4 1586 B11R1.24 CCNCc1cccc(c1)C 1P019M65 [0,1,1,0,0,0|2,0,0]=4 1587 B11R1.24 CCNCc1cccc(c1)C 1P028BRI [0,1,1,0,0,0|2,0,0]=4 1588 B11R1.24 CCNCc1cccc(c1)Cl 1P00CM77 [0,1,1,0,0,0|2,0,0]=4 1589 B11R1.24 CCNCc1cccc(c1)Cl 1P01DEFU [0,1,1,0,0,0|2,0,0]=4 1590 B11R1.24 CCNCc1cccc(c1)F 1P003TGG [0,1,1,0,0,0|2,0,0]=4 1591 B11R1.24 CCNCc1cccc(c1)F 1P01OSH9 [0,1,1,0,0,0|2,0,0]=4 1592 B11R1.24 CCNCc1cccc(c1)O 1P003J8B [0,1,1,0,0,0|2,0,0]=4 1593 B11R1.24 CCOCc1cccc(c1)Br 1P01DM58 [0,1,1,0,0,0|2,0,0]=4 1594 B11R1.24 CCOCc1cccc(c1)N 1P01A9Y1 [0,1,1,0,0,0|2,0,0]=4 1595 B11R1.24 CCSCc1cccc(c1)N 1P01ALCJ [0,1,1,0,0,0|2,0,0]=4 1596 B11R1.24 CNCCc1cccc(c1)Br 1P00GNFN [0,1,1,0,0,0|2,0,0]=4 1597 B11R1.24 CNCCc1cccc(c1)Br 1P01BCD0 [0,1,1,0,0,0|2,0,0]=4 1598 B11R1.24 CNCCc1cccc(c1)C 1P00139J [0,1,1,0,0,0|2,0,0]=4 1599 B11R1.24 CNCCc1cccc(c1)Cl 1P003TNB [0,1,1,0,0,0|2,0,0]=4 1600 B11R1.24 CNCCc1cccc(c1)Cl 1P028CMS [0,1,1,0,0,0|2,0,0]=4 1601 B11R1.24 CNCCc1cccc(c1)F 1P003TMU [0,1,1,0,0,0|2,0,0]=4 1602 B11R1.24 CNCCc1cccc(c1)F 1P01RLER [0,1,1,0,0,0|2,0,0]=4 1603 B11R1.24 CNCCc1cccc(c1)O 1P01HQPB [0,1,1,0,0,0|2,0,0]=4 1604 B11R1.24 COCCc1cccc(c1)O 1P00CA9F [0,1,1,0,0,0|2,0,0]=4 1605 B11R1.24 Cc1cc(NCCN)ncc1 1P00E8GO [0,1,1,0,0,0|2,0,0]=4 1606 B11R1.24 Cc1cccc(n1)CCCN 1P01BAKU [0,1,1,0,0,0|1,0,0]=3 1607 B11R1.24 Cc1cccc(n1)CCCO 1P00EEAF [0,1,1,0,0,0|2,0,0]=4 1608 B11R1.24 Cc1cccc(n1)NCCN 1P01AE5K [0,1,1,0,0,0|2,0,0]=4 1609 B11R1.24 ClCCOc1cccc(c1)N 1P00J2BQ [0,1,1,0,0,0|2,0,0]=4 1610 B11R1.24 FCCOc1cccc(c1)Br 1P0011PY [0,1,1,0,0,0|2,0,0]=4 1611 B11R1.24 FCCOc1cccc(c1)N 1P01A0CG [0,1,1,0,0,0|2,0,0]=4 1612 B11R1.24 FCCOc1cccc(c1)O 1P028QTC [0,1,1,0,0,0|2,0,0]=4 1613 B11R1.24 N#CCCc1cccc(c1)Br 1P00C9E9 [0,1,1,0,0,0|0,0,2]=4 1614 B11R1.24 N#CCCc1cccc(c1)Cl 1P0070VD [0,1,1,0,0,0|0,0,2]=4 1615 B11R1.24 N#CCCc1cccc(c1)F 1P00BDNP [0,1,1,0,0,0|0,0,2]=4 1616 B11R1.24 NCC#Cc1cccc(c1)Cl 1P027XIB [0,1,1,0,0,0|0,0,2]=4 1617 B11R1.24 NCC#Cc1cccc(c1)F 1P01B9ER [0,1,1,0,0,0|0,0,2]=4 1618 B11R1.24 NCCCc1cccc(c1)Br 1P0020BX [0,1,1,0,0,0|0,0,0]=2 1619 B11R1.24 NCCCc1cccc(c1)Br 1P01AHCD [0,1,1,0,0,0|0,0,0]=2 1620 B11R1.24 NCCCc1cccc(c1)C 1P007Y00 [0,1,1,0,0,0|0,0,0]=2 1621 B11R1.24 NCCCc1cccc(c1)C 1P028WZW [0,1,1,0,0,0|0,0,0]=2 1622 B11R1.24 NCCCc1cccc(c1)Cl 1P00APQT [0,1,1,0,0,0|0,0,0]=2 1623 B11R1.24 NCCCc1cccc(c1)Cl 1P01A872 [0,1,1,0,0,0|0,0,0]=2 1624 B11R1.24 NCCCc1cccc(c1)F 1P00923E [0,1,1,0,0,0|0,0,0]=2 1625 B11R1.24 NCCCc1cccc(c1)F 1P00J227 [0,1,1,0,0,0|0,0,0]=2 1626 B11R1.24 NCCCc1cccc(c1)N 1P00CPDL [0,1,1,0,0,0|0,0,0]=2 1627 B11R1.24 NCCCc1cccc(c1)O 1P00VTXV [0,1,1,0,0,0|0,0,0]=2 1628 B11R1.24 NCCCc1cccc(c1)O 1P01BFC0 [0,1,1,0,0,0|0,0,0]=2 1629 B11R1.24 NCCCc1ccnc(c1)Br 1P028HUM [0,1,1,0,0,0|1,0,0]=3 1630 B11R1.24 NCCCc1ccnc(c1)C 1P01DVCG [0,1,1,0,0,0|1,0,0]=3 1631 B11R1.24 NCCCc1cncc(c1)F 1P028B9P [0,1,1,0,0,0|1,0,0]=3 1632 B11R1.24 NCCNc1cccc(c1)Br 1P001DEV [0,1,1,0,0,0|1,0,0]=3 1633 B11R1.24 NCCNc1cccc(c1)Cl 1P0174M8 [0,1,1,0,0,0|1,0,0]=3 1634 B11R1.24 NCCNc1cccc(n1)C 1P01AI7C [0,1,1,0,0,0|2,0,0]=4 1635 B11R1.24 NCCNc1cccc(n1)F 1P00BQA7 [0,1,1,0,0,0|2,0,0]=4 1636 B11R1.24 NCCNc1cccc(n1)F 1P01FJ8D [0,1,1,0,0,0|2,0,0]=4 1637 B11R1.24 NCCOc1cc(Cl)ccn1 1P00HU7F [0,1,1,0,0,0|2,0,0]=4 1638 B11R1.24 NCCOc1cccc(c1)Br 1P00IHPE [0,1,1,0,0,0|1,0,0]=3 1639 B11R1.24 NCCOc1cccc(c1)Br 1P019WXP [0,1,1,0,0,0|1,0,0]=3 1640 B11R1.24 NCCOc1cccc(c1)C 1P003FAU [0,1,1,0,0,0|1,0,0]=3 1641 B11R1.24 NCCOc1cccc(c1)C 1P00J1AQ [0,1,1,0,0,0|1,0,0]=3 1642 B11R1.24 NCCOc1cccc(c1)Cl 1P003FAA [0,1,1,0,0,0|1,0,0]=3 1643 B11R1.24 NCCOc1cccc(c1)Cl 1P00J1B2 [0,1,1,0,0,0|1,0,0]=3 1644 B11R1.24 NCCOc1cccc(c1)F 1P003FAJ [0,1,1,0,0,0|1,0,0]=3 1645 B11R1.24 NCCOc1cccc(c1)F 1P00CWKB [0,1,1,0,0,0|1,0,0]=3 1646 B11R1.24 NCCOc1cccc(c1)O 1P00G1XG [0,1,1,0,0,0|1,0,0]=3 1647 B11R1.24 NCCOc1cccc(c1)O 1P01JMH5 [0,1,1,0,0,0|1,0,0]=3 1648 B11R1.24 NCCOc1cccc(n1)Br 1P028QQ5 [0,1,1,0,0,0|2,0,0]=4 1649 B11R1.24 NCCOc1cccc(n1)Cl 1P028D3E [0,1,1,0,0,0|2,0,0]=4 1650 B11R1.24 NCCOc1ccnc(c1)N 1P028RBA [0,1,1,0,0,0|2,0,0]=4 1651 B11R1.24 NCCOc1cncc(c1)Br 1P028B6H [0,1,1,0,0,0|2,0,0]=4 1652 B11R1.24 NCCOc1cncc(c1)Cl 1P01B8LH [0,1,1,0,0,0|2,0,0]=4 1653 B11R1.24 NCCOc1cncc(c1)F 1P027VUD [0,1,1,0,0,0|2,0,0]=4 1654 B11R1.24 Nc1cc(CCCO)ncc1 1P01FM7A [0,1,1,0,0,0|2,0,0]=4 1655 B11R1.24 O=CCCc1cccc(c1)Br 1P002L1M [0,1,1,0,0,0|1,0,1]=4 1656 B11R1.24 O=CCCc1cccc(c1)Cl 1P0012BU [0,1,1,0,0,0|1,0,1]=4 1657 B11R1.24 O=CCCc1cccc(c1)F 1P002OU3 [0,1,1,0,0,0|1,0,1]=4 1658 B11R1.24 OCCCc1cccc(c1)Br 1P00EC4F [0,1,1,0,0,0|1,0,0]=3 1659 B11R1.24 OCCCc1cccc(c1)C 1P007U5X [0,1,1,0,0,0|1,0,0]=3 1660 B11R1.24 OCCCc1cccc(c1)Cl 1P002M9V [0,1,1,0,0,0|1,0,0]=3 1661 B11R1.24 OCCCc1cccc(c1)F 1P001PIS [0,1,1,0,0,0|1,0,0]=3 1662 B11R1.24 OCCCc1cccc(c1)N 1P00DK0P [0,1,1,0,0,0|1,0,0]=3 1663 B11R1.24 OCCCc1cccc(c1)O 1P007LKL [0,1,1,0,0,0|1,0,0]=3 1664 B11R1.24 OCCCc1ccnc(c1)C 1P00NZUB [0,1,1,0,0,0|2,0,0]=4 1665 B11R1.24 OCCCc1cncc(c1)C 1P01ACPG [0,1,1,0,0,0|2,0,0]=4 1666 B11R1.24 OCCCc1cncc(c1)F 1P02832X [0,1,1,0,0,0|2,0,0]=4 1667 B11R1.24 OCCNc1cccc(c1)Br 1P0015JF [0,1,1,0,0,0|2,0,0]=4 1668 B11R1.24 OCCNc1cccc(c1)C 1P0006PF [0,1,1,0,0,0|2,0,0]=4 1669 B11R1.24 OCCNc1cccc(c1)F 1P019S8R [0,1,1,0,0,0|2,0,0]=4 1670 B11R1.24 OCCOc1cccc(c1)Br 1P00GNEF [0,1,1,0,0,0|2,0,0]=4 1671 B11R1.24 OCCOc1cccc(c1)Cl 1P00EH6C [0,1,1,0,0,0|2,0,0]=4 1672 B11R1.24 OCCOc1cccc(c1)N 1P00DDP7 [0,1,1,0,0,0|2,0,0]=4 1673 B11R1.24 OCCSc1cccc(c1)Br 1P009MB6 [0,1,1,0,0,0|2,0,0]=4 1674 B11R1.24 OCCSc1cccc(c1)C 1P00C12F [0,1,1,0,0,0|2,0,0]=4 1675 B11R1.24 [C-]#[N+]CCc1cccc(c1)F 1P005YP6 [0,1,1,0,0,0|2,0,0]=4 1676 B11R1.28 BrCCCCc1ccccc1 1P001243 [0,1,1,0,0,0|1,0,0]=3 1677 B11R1.28 BrCCCOc1ccccc1 1P003KBT [0,1,1,0,0,0|1,0,0]=3 1678 B11R1.28 BrCCOCc1ccccc1 1P001E9R [0,1,1,0,0,0|1,0,0]=3 1679 B11R1.28 BrCCSCc1ccccc1 1P01AMPW [0,1,1,0,0,0|1,0,0]=3 1680 B11R1.28 BrCC\C=C\c1ccccc1 1P005EJI [0,1,1,0,0,0|1,0,1]=4 1681 B11R1.28 C#CCCOc1ccccc1 1P001P0F [0,1,1,0,0,0|1,0,1]=4 1682 B11R1.28 C#CCNCc1ccccc1 1P000PYH [0,1,1,0,0,0|1,0,1]=4 1683 B11R1.28 C#CCNCc1ccccc1 1P00J1E3 [0,1,1,0,0,0|1,0,1]=4 1684 B11R1.28 C#CCOCc1ccccc1 1P0038C3 [0,1,1,0,0,0|1,0,1]=4 1685 B11R1.28 C=CCNCc1ccccc1 1P002O21 [0,1,1,0,0,0|1,0,1]=4 1686 B11R1.28 C=CCNCc1ccccc1 1P003T6B [0,1,1,0,0,0|1,0,1]=4 1687 B11R1.28 C=CCOCc1ccccc1 1P001DZF [0,1,1,0,0,0|1,0,1]=4 1688 B11R1.28 CCCC#Cc1ccccc1 1P00242B [0,1,1,0,0,0|1,0,1]=4 1689 B11R1.28 CCCCCc1ccccc1 1P003F3E [0,1,1,0,0,0|1,0,0]=3 1690 B11R1.28 CCCCCc1ccccn1 1P002M24 [0,1,1,0,0,0|2,0,0]=4 1691 B11R1.28 CCCCCc1cccnc1 1P00228X [0,1,1,0,0,0|2,0,0]=4 1692 B11R1.28 CCCCCc1ccncc1 1P002ZCV [0,1,1,0,0,0|2,0,0]=4 1693 B11R1.28 CCCCNc1ccccc1 1P0035TY [0,1,1,0,0,0|1,0,0]=3 1694 B11R1.28 CCCCNc1ccccn1 1P00CKOP [0,1,1,0,0,0|2,0,0]=4 1695 B11R1.28 CCCCNc1cccnc1 1P01BVMQ [0,1,1,0,0,0|2,0,0]=4 1696 B11R1.28 CCCCNc1ccncc1 1P00D2IH [0,1,1,0,0,0|2,0,0]=4 1697 B11R1.28 CCCCOc1ccccc1 1P003P21 [0,1,1,0,0,0|1,0,0]=3 1698 B11R1.28 CCCCOc1ccccn1 1P003I8F [0,1,1,0,0,0|2,0,0]=4 1699 B11R1.28 CCCCSc1ccccc1 1P0079TG [0,1,1,0,0,0|1,0,0]=3 1700 B11R1.28 CCCNCc1ccccc1 1P00296T [0,1,1,0,0,0|1,0,0]=3 1701 B11R1.28 CCCNCc1ccccn1 1P006V7Q [0,1,1,0,0,0|2,0,0]=4 1702 B11R1.28 CCCNCc1ccccn1 1P00JTXU [0,1,1,0,0,0|2,0,0]=4 1703 B11R1.28 CCCNCc1cccnc1 1P002B71 [0,1,1,0,0,0|2,0,0]=4 1704 B11R1.28 CCCNCc1cccnc1 1P0288SO [0,1,1,0,0,0|2,0,0]=4 1705 B11R1.28 CCCNCc1ccncc1 1P00654U [0,1,1,0,0,0|2,0,0]=4 1706 B11R1.28 CCCNCc1ccncc1 1P00JTXY [0,1,1,0,0,0|2,0,0]=4 1707 B11R1.28 CCC\C=C\c1ccccc1 1P001S3B [0,1,1,0,0,0|1,0,1]=4 1708 B11R1.28 CCNCCc1ccccc1 1P00ELT2 [0,1,1,0,0,0|1,0,0]=3 1709 B11R1.28 CCNCCc1ccccc1 1P019M64 [0,1,1,0,0,0|1,0,0]=3 1710 B11R1.28 CCNCCc1ccccn1 1P003THI [0,1,1,0,0,0|2,0,0]=4 1711 B11R1.28 CCNOCc1ccccc1 1P002G3E [0,1,1,0,0,0|2,0,0]=4 1712 B11R1.28 CCOCCc1ccccc1 1P00AP6J [0,1,1,0,0,0|1,0,0]=3 1713 B11R1.28 CCOCCc1ccccn1 1P002WIS [0,1,1,0,0,0|2,0,0]=4 1714 B11R1.28 CCONCc1ccccc1 1P01C29H [0,1,1,0,0,0|2,0,0]=4 1715 B11R1.28 CNCC#Cc1ccccc1 1P029306 [0,1,1,0,0,0|0,0,2]=4 1716 B11R1.28 CNCCCc1ccccc1 1P002O7F [0,1,1,0,0,0|0,0,0]=2 1717 B11R1.28 CNCCCc1ccccn1 1P001OQK [0,1,1,0,0,0|1,0,0]=3 1718 B11R1.28 CNCCNc1ccccn1 1P01DZOL [0,1,1,0,0,0|2,0,0]=4 1719 B11R1.28 CNCCOc1ccccc1 1P003TN4 [0,1,1,0,0,0|1,0,0]=3 1720 B11R1.28 CNC\C=C\c1ccccc1 1P0035UW [0,1,1,0,0,0|0,0,2]=4 1721 B11R1.28 COCCNc1ccccc1 1P01C1WU [0,1,1,0,0,0|2,0,0]=4 1722 B11R1.28 COCCOc1ccccc1 1P00D7EK [0,1,1,0,0,0|2,0,0]=4 1723 B11R1.28 COCCSc1ccccc1 1P003I0V [0,1,1,0,0,0|2,0,0]=4 1724 B11R1.28 ClCC#CCc1ccccc1 1P01DWT8 [0,1,1,0,0,0|1,0,1]=4 1725 B11R1.28 ClCCCCc1ccccc1 1P003EOX [0,1,1,0,0,0|1,0,0]=3 1726 B11R1.28 ClCCCCc1ccncc1 1P001M6V [0,1,1,0,0,0|2,0,0]=4 1727 B11R1.28 ClCCCCc1ccncc1 1P003KJL [0,1,1,0,0,0|2,0,0]=4 1728 B11R1.28 ClCCCOc1ccccc1 1P00CO1R [0,1,1,0,0,0|1,0,0]=3 1729 B11R1.28 ClCCNCc1ccccc1 1P00EA7Z [0,1,1,0,0,0|1,0,0]=3 1730 B11R1.28 ClCCOCc1ccccc1 1P003OK8 [0,1,1,0,0,0|1,0,0]=3 1731 B11R1.28 ClCCSCc1ccccc1 1P00DGAK [0,1,1,0,0,0|1,0,0]=3 1732 B11R1.28 FCCNCc1ccccc1 1P027TSS [0,1,1,0,0,0|1,0,0]=3 1733 B11R1.28 ICCCCc1ccccc1 1P01J3BS [0,1,1,0,0,0|1,0,0]=3 1734 B11R1.28 ICCOCc1ccccc1 1P003EH4 [0,1,1,0,0,0|1,0,0]=3 1735 B11R1.28 N#CCCCc1ccccc1 1P002A2B [0,1,1,0,0,0|0,0,1]=3 1736 B11R1.28 N#CCCNc1ccccc1 1P0038H2 [0,1,1,0,0,0|0,0,2]=4 1737 B11R1.28 N#CCCOc1ccccc1 1P0030ZW [0,1,1,0,0,0|0,0,2]=4 1738 B11R1.28 N#CCNCc1ccccc1 1P00BJRT [0,1,1,0,0,0|0,0,2]=4 1739 B11R1.28 N#CCOCc1ccccc1 1P0080MM [0,1,1,0,0,0|0,0,2]=4 1740 B11R1.28 N#CCSCc1ccccc1 1P001ZN8 [0,1,1,0,0,0|0,0,2]=4 1741 B11R1.28 NCCCCc1ccccc1 1P0010R7 [0,1,1,0,0,0|0,0,0]=2 1742 B11R1.28 NCCCCc1ccccc1 1P00C3J1 [0,1,1,0,0,0|0,0,0]=2 1743 B11R1.28 NCCCCc1ccccn1 1P00C6I4 [0,1,1,0,0,0|1,0,0]=3 1744 B11R1.28 NCCCCc1cccnc1 1P00G66Q [0,1,1,0,0,0|1,0,0]=3 1745 B11R1.28 NCCCCc1ccncc1 1P0286VO [0,1,1,0,0,0|1,0,0]=3 1746 B11R1.28 NCCCNc1ccccc1 1P00DLVB [0,1,1,0,0,0|0,0,0]=2 1747 B11R1.28 NCCCNc1ccccn1 1P027ZTQ [0,1,1,0,0,0|1,0,0]=3 1748 B11R1.28 NCCCNc1ccncc1 1P00JTBX [0,1,1,0,0,0|1,0,0]=3 1749 B11R1.28 NCCCNc1ncccn1 1P019VFK [0,1,1,0,0,0|2,0,0]=4 1750 B11R1.28 NCCCNc1ncccn1 1P01A7R8 [0,1,1,0,0,0|2,0,0]=4 1751 B11R1.28 NCCCOc1ccccc1 1P008OQY [0,1,1,0,0,0|0,0,0]=2 1752 B11R1.28 NCCCOc1ccccc1 1P00G5UX [0,1,1,0,0,0|0,0,0]=2 1753 B11R1.28 NCCCOc1ccccn1 1P000P5Y [0,1,1,0,0,0|1,0,0]=3 1754 B11R1.28 NCCCOc1cccnc1 1P008429 [0,1,1,0,0,0|1,0,0]=3 1755 B11R1.28 NCCCOc1ccncc1 1P01ADCO [0,1,1,0,0,0|1,0,0]=3 1756 B11R1.28 NCCCOc1ncccn1 1P01BI0J [0,1,1,0,0,0|2,0,0]=4 1757 B11R1.28 NCCCSc1ccccc1 1P002DXM [0,1,1,0,0,0|0,0,0]=2 1758 B11R1.28 NCCCSc1ccccc1 1P00G4KQ [0,1,1,0,0,0|0,0,0]=2 1759 B11R1.28 NCCCSc1ccccn1 1P01B9Z5 [0,1,1,0,0,0|1,0,0]=3 1760 B11R1.28 NCCCSc1ncccn1 1P028C9I [0,1,1,0,0,0|2,0,0]=4 1761 B11R1.28 NCCNCc1ccccc1 1P003T8D [0,1,1,0,0,0|0,0,0]=2 1762 B11R1.28 NCCNCc1ccccn1 1P002KPF [0,1,1,0,0,0|1,0,0]=3 1763 B11R1.28 NCCNCc1ccccn1 1P027IZJ [0,1,1,0,0,0|1,0,0]=3 1764 B11R1.28 NCCOCc1ccccc1 1P00381B [0,1,1,0,0,0|0,0,0]=2 1765 B11R1.28 NCCOCc1ccccc1 1P003H25 [0,1,1,0,0,0|0,0,0]=2 1766 B11R1.28 NCCSCc1ccccc1 1P003UO3 [0,1,1,0,0,0|0,0,0]=2 1767 B11R1.28 NCCSCc1ccccc1 1P008VQA [0,1,1,0,0,0|0,0,0]=2 1768 B11R1.28 NCCSSc1ccccn1 1P0036J9 [0,1,1,0,0,0|2,0,0]=4 1769 B11R1.28 NNCCCc1ccccc1 1P01ABBG [0,1,1,0,0,0|0,0,0]=2 1770 B11R1.28 NNCCOc1ccccc1 1P00D6O2 [0,1,1,0,0,0|1,0,0]=3 1771 B11R1.28 NOCCOc1ccccc1 1P00FWZA [0,1,1,0,0,0|1,0,0]=3 1772 B11R1.28 O=C=NCCc1ccccc1 1P003C49 [0,1,1,0,0,0|1,0,1]=4 1773 B11R1.28 O=CCCCc1ccccc1 1P0027XM [0,1,1,0,0,0|1,0,0]=3 1774 B11R1.28 O=CCCCc1cccnc1 1P001DYB [0,1,1,0,0,0|2,0,0]=4 1775 B11R1.28 O=CCCOc1ccccc1 1P01FTPQ [0,1,1,0,0,0|1,0,1]=4 1776 B11R1.28 O=CCOCc1ccccc1 1P0036FA [0,1,1,0,0,0|1,0,1]=4 1777 B11R1.28 O=CCSCc1ccccc1 1P005AIQ [0,1,1,0,0,0|1,0,1]=4 1778 B11R1.28 O=CNCCc1ccccc1 1P002ML7 [0,1,1,0,0,0|1,0,1]=4 1779 B11R1.28 O=COCCc1ccccc1 1P003U4Q [0,1,1,0,0,0|1,0,1]=4 1780 B11R1.28 OCCC#Cc1ccccc1 1P0007L8 [0,1,1,0,0,0|1,0,1]=4 1781 B11R1.28 OCCCCc1ccccc1 1P0034LL [0,1,1,0,0,0|1,0,0]=3 1782 B11R1.28 OCCCCc1ccccn1 1P0027H1 [0,1,1,0,0,0|2,0,0]=4 1783 B11R1.28 OCCCCc1cccnc1 1P003KI6 [0,1,1,0,0,0|2,0,0]=4 1784 B11R1.28 OCCCCc1ccncc1 1P00349S [0,1,1,0,0,0|2,0,0]=4 1785 B11R1.28 OCCCNc1ccccn1 1P002F72 [0,1,1,0,0,0|2,0,0]=4 1786 B11R1.28 OCCCNc1ccncc1 1P01AB9S [0,1,1,0,0,0|2,0,0]=4 1787 B11R1.28 OCCCNc1ccncc1 1P028CNK [0,1,1,0,0,0|2,0,0]=4 1788 B11R1.28 OCCCOc1ccccc1 1P00IBDS [0,1,1,0,0,0|1,0,0]=3 1789 B11R1.28 OCCCOc1ccncc1 1P00BBQ7 [0,1,1,0,0,0|2,0,0]=4 1790 B11R1.28 OCCCSc1ccccc1 1P00BKA5 [0,1,1,0,0,0|1,0,0]=3 1791 B11R1.28 OCCCSc1ccccn1 1P01BSED [0,1,1,0,0,0|2,0,0]=4 1792 B11R1.28 OCCNCc1ccccc1 1P0035SZ [0,1,1,0,0,0|1,0,0]=3 1793 B11R1.28 OCCNCc1cccnc1 1P00FBHE [0,1,1,0,0,0|2,0,0]=4 1794 B11R1.28 OCCOCc1ccccc1 1P003A8A [0,1,1,0,0,0|1,0,0]=3 1795 B11R1.28 OCCOCc1ccccc1 1P01GJYO [0,1,1,0,0,0|1,0,0]=3 1796 B11R1.28 OCCSCc1ccccc1 1P00BY6S [0,1,1,0,0,0|1,0,0]=3 1797 B11R1.28 OCCSCc1ccccn1 1P01B705 [0,1,1,0,0,0|2,0,0]=4 1798 B11R1.28 S=C=NCCc1ccccc1 1P003IC3 [0,1,1,0,0,0|1,0,1]=4 1799 B11R1.28 SCCCCc1ccccc1 1P01ADO5 [0,1,1,0,0,0|1,0,0]=3 1800 B11R1.28 SCCCOc1ccccc1 1P01A89E [0,1,1,0,0,0|1,0,0]=3 1801 B11R1.28 [N-]=[N+]=NCCc1ccccc1 1P005SFL [0,1,1,0,0,0|1,0,1]=4 1802 B11R1.40 BrC(Cc1ccccc1)C#N 1P00ERAI [0,1,1,0,0,0|0,0,2]=4 1803 B11R1.40 BrCC(=O)Cc1ccccc1 1P002JOF [0,1,1,0,0,0|1,0,1]=4 1804 B11R1.40 C=CC(Cc1ccccc1)O 1P00ENKF [0,1,1,0,0,0|1,0,1]=4 1805 B11R1.40 C=C[C@@H](Cc1ccccc1)N 1P01EV25 [0,1,1,0,0,0|1,0,1]=4 1806 B11R1.40 C=C[C@H](Cc1ccccc1)N 1P001GVE [0,1,1,0,0,0|1,0,1]=4 1807 B11R1.40 CCC(=O)Cc1ccccc1 1P000346 [0,1,1,0,0,0|1,0,1]=4 1808 B11R1.40 CCC(Cc1ccccc1)Br 1P00572U [0,1,1,0,0,0|1,0,0]=3 1809 B11R1.40 CCC(Cc1ccccc1)O 1P003F2N [0,1,1,0,0,0|1,0,0]=3 1810 B11R1.40 CCC(Cc1ccncc1)Br 1P01B1VS [0,1,1,0,0,0|2,0,0]=4 1811 B11R1.40 CCC(Cc1ccncc1)O 1P01AG8M [0,1,1,0,0,0|2,0,0]=4 1812 B11R1.40 CCN(Cc1ccccc1)C 1P003T8U [0,1,1,0,0,0|2,0,0]=4 1813 B11R1.40 CC[C@@H](Cc1ccccc1)N 1P00IFAA [0,1,1,0,0,0|1,0,0]=3 1814 B11R1.40 CC[C@@H](Cc1ccccc1)O 1P019SKO [0,1,1,0,0,0|1,0,0]=3 1815 B11R1.40 CC[C@H](Cc1ccccc1)N 1P028P0C [0,1,1,0,0,0|1,0,0]=3 1816 B11R1.40 CC[C@H](Cc1ccccc1)O 1P019SKN [0,1,1,0,0,0|1,0,0]=3 1817 B11R1.40 CNC(Cc1ccccc1)O 1P00BJTS [0,1,1,0,0,0|2,0,0]=4 1818 B11R1.40 ClC(Cc1ccccc1)C#N 1P0026K2 [0,1,1,0,0,0|0,0,2]=4 1819 B11R1.40 ClCC(=O)Cc1ccccc1 1P0061Y1 [0,1,1,0,0,0|1,0,1]=4 1820 B11R1.40 ClCC(Cc1ccccc1)O 1P00DRJS [0,1,1,0,0,0|1,0,0]=3 1821 B11R1.40 ClC[C@H](Cc1ccccc1)O 1P01BAA5 [0,1,1,0,0,0|1,0,0]=3 1822 B11R1.40 NC(Cc1ccccc1)C#C 1P028V90 [0,1,1,0,0,0|1,0,1]=4 1823 B11R1.40 NC(Cc1ccccc1)C#N 1P00DL1I [0,1,1,0,0,0|0,0,2]=4 1824 B11R1.40 NC(Cc1ccccc1)C#N 1P00II4N [0,1,1,0,0,0|0,0,2]=4 1825 B11R1.40 NCC(=O)Cc1ccccc1 1P00334Z [0,1,1,0,0,0|0,0,1]=3 1826 B11R1.40 NCC(=O)Nc1ccccc1 1P00DDPM [0,1,1,0,0,0|1,0,1]=4 1827 B11R1.40 NCC(=O)Nc1ccccc1 1P00DL14 [0,1,1,0,0,0|1,0,1]=4 1828 B11R1.40 NCC(=O)Sc1ccccc1 1P028EBQ [0,1,1,0,0,0|1,0,1]=4 1829 B11R1.40 NCC(Cc1ccccc1)F 1P024M92 [0,1,1,0,0,0|0,0,0]=2 1830 B11R1.40 NCC(Cc1ccccc1)N 1P00GGIL [0,1,1,0,0,0|0,0,0]=2 1831 B11R1.40 NCC(Cc1ccccc1)O 1P00DBQQ [0,1,1,0,0,0|0,0,0]=2 1832 B11R1.40 NCC(Cc1ccccn1)C 1P01BU05 [0,1,1,0,0,0|1,0,0]=3 1833 B11R1.40 NCC(Cc1ccccn1)C 1P027VI5 [0,1,1,0,0,0|1,0,0]=3 1834 B11R1.40 NCC(Cc1cccnc1)O 1P028Y27 [0,1,1,0,0,0|1,0,0]=3 1835 B11R1.40 NCC(Nc1ccccc1)C 1P019TJC [0,1,1,0,0,0|1,0,0]=3 1836 B11R1.40 NCC(Oc1ccccc1)C 1P003IBC [0,1,1,0,0,0|1,0,0]=3 1837 B11R1.40 NCC(Oc1ccccc1)C 1P00IKNL [0,1,1,0,0,0|1,0,0]=3 1838 B11R1.40 NCC(Oc1cccnc1)C 1P0048SZ [0,1,1,0,0,0|2,0,0]=4 1839 B11R1.40 NCC(Sc1ccccc1)C 1P019SS7 [0,1,1,0,0,0|1,0,0]=3 1840 B11R1.40 NC[C@@H](Cc1ccccc1)N 1P008HQQ [0,1,1,0,0,0|0,0,0]=2 1841 B11R1.40 NC[C@@H](Cc1ccccc1)O 1P00AOTD [0,1,1,0,0,0|0,0,0]=2 1842 B11R1.40 NC[C@H](Cc1ccccc1)N 1P004ULE [0,1,1,0,0,0|0,0,0]=2 1843 B11R1.40 NC[C@H](Cc1ccccc1)O 1P01FIAQ [0,1,1,0,0,0|0,0,0]=2 1844 B11R1.40 NNC(=O)Cc1ccccc1 1P003U67 [0,1,1,0,0,0|1,0,1]=4 1845 B11R1.40 NNC(Cc1ccccc1)C 1P01FJMD [0,1,1,0,0,0|1,0,0]=3 1846 B11R1.40 O=CC(Cc1ccccc1)C 1P00DKC9 [0,1,1,0,0,0|1,0,1]=4 1847 B11R1.40 OC(Cc1ccccc1)C#C 1P00DAP6 [0,1,1,0,0,0|1,0,1]=4 1848 B11R1.40 OC(Cc1ccccc1)C#N 1P006V4A [0,1,1,0,0,0|0,0,2]=4 1849 B11R1.40 OCC(Cc1ccccc1)C 1P005WO3 [0,1,1,0,0,0|1,0,0]=3 1850 B11R1.40 OCC(Cc1ccccc1)N 1P001VWI [0,1,1,0,0,0|1,0,0]=3 1851 B11R1.40 OCC(Cc1ccccn1)N 1P01BDEZ [0,1,1,0,0,0|2,0,0]=4 1852 B11R1.40 OCC(Cc1cccnc1)N 1P01BDC0 [0,1,1,0,0,0|2,0,0]=4 1853 B11R1.40 OCC(Cc1ccncc1)N 1P01BDD8 [0,1,1,0,0,0|2,0,0]=4 1854 B11R1.40 OCC(Oc1ccccc1)C 1P003IBA [0,1,1,0,0,0|2,0,0]=4 1855 B11R1.40 OC[C@@H](Cc1ccccc1)N 1P0032RI [0,1,1,0,0,0|1,0,0]=3 1856 B11R1.40 OC[C@@H](Cc1ccccc1)O 1P008N06 [0,1,1,0,0,0|1,0,0]=3 1857 B11R1.40 OC[C@@H](Oc1ccccc1)C 1P01XD8U [0,1,1,0,0,0|2,0,0]=4 1858 B11R1.40 OC[C@H](Cc1ccccc1)Br 1P01FT15 [0,1,1,0,0,0|1,0,0]=3 1859 B11R1.40 OC[C@H](Cc1ccccc1)N 1P0035KN [0,1,1,0,0,0|1,0,0]=3 1860 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [0,1,1,0,0,0|1,0,1]=4 1861 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [0,1,1,0,0,0|1,0,0]=3 1862 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [0,1,1,0,0,0|1,0,0]=3 1863 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [0,1,1,0,0,0|1,0,0]=3 1864 B11R1.91 CC(CCc1ccccn1)N 1P028K2L [0,1,1,0,0,0|1,0,0]=3 1865 B11R1.91 CC(CCc1ccccn1)O 1P01EMUJ [0,1,1,0,0,0|2,0,0]=4 1866 B11R1.91 CC(CCc1cccnc1)N 1P01ZZDK [0,1,1,0,0,0|1,0,0]=3 1867 B11R1.91 CC(CNc1ccccc1)C 1P01BBFJ [0,1,1,0,0,0|2,0,0]=4 1868 B11R1.91 CC(CNc1ccccc1)N 1P01AHZV [0,1,1,0,0,0|1,0,0]=3 1869 B11R1.91 CC(CNc1ccccc1)O 1P01A8L3 [0,1,1,0,0,0|2,0,0]=4 1870 B11R1.91 CC(COc1ccccc1)Cl 1P003F26 [0,1,1,0,0,0|2,0,0]=4 1871 B11R1.91 CC(COc1ccccc1)N 1P00B4N7 [0,1,1,0,0,0|1,0,0]=3 1872 B11R1.91 CC(COc1ccccc1)N 1P00CASM [0,1,1,0,0,0|1,0,0]=3 1873 B11R1.91 CC(COc1ccccc1)O 1P003BIN [0,1,1,0,0,0|2,0,0]=4 1874 B11R1.91 CC(CSc1ccccc1)N 1P01ASU9 [0,1,1,0,0,0|1,0,0]=3 1875 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [0,1,1,0,0,0|2,0,0]=4 1876 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [0,1,1,0,0,0|2,0,0]=4 1877 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [0,1,1,0,0,0|2,0,0]=4 1878 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [0,1,1,0,0,0|2,0,0]=4 1879 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [0,1,1,0,0,0|2,0,0]=4 1880 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [0,1,1,0,0,0|1,0,0]=3 1881 B11R1.91 C[C@@H](COc1ccccc1)N 1P028UI7 [0,1,1,0,0,0|1,0,0]=3 1882 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [0,1,1,0,0,0|0,0,0]=2 1883 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [0,1,1,0,0,0|1,0,0]=3 1884 B11R1.91 C[C@H](COc1ccccc1)N 1P028USB [0,1,1,0,0,0|1,0,0]=3 1885 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [0,1,1,0,0,0|1,0,1]=4 1886 B11R1.91 FC(CNc1ccccc1)F 1P019UDQ [0,1,1,0,0,0|2,0,0]=4 1887 B11R1.91 FC(CNc1ccccc1)F 1P01AESB [0,1,1,0,0,0|2,0,0]=4 1888 B11R1.91 FC(SCc1ccccc1)F 1P005MTU [0,1,1,0,0,0|2,0,0]=4 1889 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [0,1,1,0,0,0|0,0,1]=3 1890 B11R1.91 NC(=N)COc1ccccc1 1P003IB1 [0,1,1,0,0,0|1,0,1]=4 1891 B11R1.91 NC(=N)CSc1ccccc1 1P004RQX [0,1,1,0,0,0|1,0,1]=4 1892 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [0,1,1,0,0,0|1,0,1]=4 1893 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [0,1,1,0,0,0|1,0,1]=4 1894 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [0,1,1,0,0,0|1,0,1]=4 1895 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [0,1,1,0,0,0|1,0,1]=4 1896 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [0,1,1,0,0,0|1,0,1]=4 1897 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [0,1,1,0,0,0|0,0,1]=3 1898 B11R1.91 NC(=O)CCc1cccnc1 1P004YZ2 [0,1,1,0,0,0|1,0,1]=4 1899 B11R1.91 NC(=O)CCc1ccncc1 1P00IDTF [0,1,1,0,0,0|1,0,1]=4 1900 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [0,1,1,0,0,0|1,0,1]=4 1901 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [0,1,1,0,0,0|1,0,1]=4 1902 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [0,1,1,0,0,0|1,0,1]=4 1903 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [0,1,1,0,0,0|1,0,1]=4 1904 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [0,1,1,0,0,0|1,0,1]=4 1905 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [0,1,1,0,0,0|0,0,1]=3 1906 B11R1.91 NC(=S)COc1ccccc1 1P003IBE [0,1,1,0,0,0|1,0,1]=4 1907 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [0,1,1,0,0,0|1,0,1]=4 1908 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [0,1,1,0,0,0|1,0,1]=4 1909 B11R1.91 OB(CCc1ccccc1)O 1P0035XH [0,1,1,0,0,0|2,0,0]=4 1910 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [0,1,1,0,0,0|1,0,1]=4 1911 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [0,1,1,0,0,0|1,0,1]=4 1912 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [0,1,1,0,0,0|2,0,0]=4 1913 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [0,1,1,0,0,0|2,0,0]=4 1914 B11R1.20 CC(=O)Cc1ccc(cc1)C 1P002KSA [0,1,1,0,0,0|1,0,1]=4 1915 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1P003LOO [0,1,1,0,0,0|1,0,1]=4 1916 B11R1.20 CC(=O)Cc1ccc(cc1)F 1P003LWP [0,1,1,0,0,0|1,0,1]=4 1917 B11R1.20 CC(=O)Cc1ccc(cc1)O 1P003M0E [0,1,1,0,0,0|1,0,1]=4 1918 B11R1.20 CC(Cc1ccc(cc1)Br)C 1P002ACM [0,1,1,0,0,0|1,0,0]=3 1919 B11R1.20 CC(Cc1ccc(cc1)F)Br 1P01DXNU [0,1,1,0,0,0|1,0,0]=3 1920 B11R1.20 CC(Cc1ccc(cc1)F)O 1P00DO4L [0,1,1,0,0,0|1,0,0]=3 1921 B11R1.20 CC(Cc1ccc(cc1)I)N 1P007PB0 [0,1,1,0,0,0|0,0,0]=2 1922 B11R1.20 CC(Cc1ccc(cc1)N)C 1P00BGLP [0,1,1,0,0,0|1,0,0]=3 1923 B11R1.20 CC(Cc1ccc(cc1)N)C 1P01A1S9 [0,1,1,0,0,0|1,0,0]=3 1924 B11R1.20 CC(Cc1ccc(cc1)O)C 1P00C74Z [0,1,1,0,0,0|1,0,0]=3 1925 B11R1.20 CC(Cc1ccc(cc1)O)N 1P01G8YJ [0,1,1,0,0,0|0,0,0]=2 1926 B11R1.20 CC(Cc1ccc(cc1)O)O 1P028VHS [0,1,1,0,0,0|1,0,0]=3 1927 B11R1.20 CC(Cc1ccc(cn1)Br)C 1P01AML6 [0,1,1,0,0,0|2,0,0]=4 1928 B11R1.20 CC(Nc1ccc(cc1)Br)C 1P008TM4 [0,1,1,0,0,0|2,0,0]=4 1929 B11R1.20 CC(Nc1ccc(cc1)Br)C 1P00J48C [0,1,1,0,0,0|2,0,0]=4 1930 B11R1.20 CC(Nc1ccc(cc1)C)C 1P01A96B [0,1,1,0,0,0|2,0,0]=4 1931 B11R1.20 CC(Nc1ccc(cc1)Cl)C 1P008ONV [0,1,1,0,0,0|2,0,0]=4 1932 B11R1.20 CC(Nc1ccc(cc1)Cl)C 1P01A9H7 [0,1,1,0,0,0|2,0,0]=4 1933 B11R1.20 CC(Nc1ccc(cc1)F)C 1P00FAAU [0,1,1,0,0,0|2,0,0]=4 1934 B11R1.20 CC(Oc1ccc(cc1)Br)C 1P0069DE [0,1,1,0,0,0|2,0,0]=4 1935 B11R1.20 CC(Oc1ccc(cc1)F)C 1P00DKL4 [0,1,1,0,0,0|2,0,0]=4 1936 B11R1.20 CC(Oc1ccc(cc1)I)C 1P009WM4 [0,1,1,0,0,0|2,0,0]=4 1937 B11R1.20 CC(Oc1ccc(cc1)N)C 1P0036ZG [0,1,1,0,0,0|2,0,0]=4 1938 B11R1.20 CC(Oc1ccc(cc1)N)C 1P00BIXU [0,1,1,0,0,0|2,0,0]=4 1939 B11R1.20 CC(Oc1ccc(cc1)O)C 1P00ID1L [0,1,1,0,0,0|2,0,0]=4 1940 B11R1.20 CC(Sc1ccc(cc1)Br)C 1P005JZI [0,1,1,0,0,0|2,0,0]=4 1941 B11R1.20 CC(Sc1ccc(cc1)Cl)C 1P005DS2 [0,1,1,0,0,0|2,0,0]=4 1942 B11R1.20 CN(Cc1ccc(cc1)Br)C 1P00IBJG [0,1,1,0,0,0|2,0,0]=4 1943 B11R1.20 CN(Cc1ccc(cc1)N)C 1P0034A0 [0,1,1,0,0,0|2,0,0]=4 1944 B11R1.20 FC(Cc1ccc(cc1)Br)F 1P01ELKO [0,1,1,0,0,0|2,0,0]=4 1945 B11R1.20 FC(Cc1ccc(cc1)O)F 1P01EN6H [0,1,1,0,0,0|2,0,0]=4 1946 B11R1.20 NC(=N)Cc1ccc(cc1)Br 1P00ER80 [0,1,1,0,0,0|1,0,1]=4 1947 B11R1.20 NC(=N)Cc1ccc(cc1)C 1P00JTEG [0,1,1,0,0,0|1,0,1]=4 1948 B11R1.20 NC(=O)Cc1ccc(cc1)Br 1P0059AH [0,1,1,0,0,0|1,0,1]=4 1949 B11R1.20 NC(=O)Cc1ccc(cc1)Cl 1P00BJHH [0,1,1,0,0,0|1,0,1]=4 1950 B11R1.20 NC(=O)Cc1ccc(cc1)F 1P01AARD [0,1,1,0,0,0|1,0,1]=4 1951 B11R1.20 NC(=O)Cc1ccc(cc1)N 1P00FJU0 [0,1,1,0,0,0|1,0,1]=4 1952 B11R1.20 NC(=O)Cc1ccc(cc1)O 1P003M0D [0,1,1,0,0,0|1,0,1]=4 1953 B11R1.20 NC(=S)Cc1ccc(cc1)Cl 1P0020UH [0,1,1,0,0,0|1,0,1]=4 1954 B11R1.20 NC(=S)Cc1ccc(cc1)F 1P00I7F0 [0,1,1,0,0,0|1,0,1]=4 1955 B11R1.20 NC(=S)Cc1ccc(cc1)N 1P01L083 [0,1,1,0,0,0|1,0,1]=4 1956 B11R1.86 CC(=O)Cc1ccccc1Br 1P003H9D [0,1,1,0,0,0|1,0,1]=4 1957 B11R1.86 CC(=O)Cc1ccccc1C 1P00D954 [0,1,1,0,0,0|1,0,1]=4 1958 B11R1.86 CC(=O)Cc1ccccc1Cl 1P003DAJ [0,1,1,0,0,0|1,0,1]=4 1959 B11R1.86 CC(=O)Cc1ccccc1F 1P003BOY [0,1,1,0,0,0|1,0,1]=4 1960 B11R1.86 CC(=O)Cc1ccccc1I 1P01ALIT [0,1,1,0,0,0|1,0,1]=4 1961 B11R1.86 CC(=O)Cc1ccccc1O 1P000VSR [0,1,1,0,0,0|1,0,1]=4 1962 B11R1.86 CC(Cc1ccccc1C)N 1P00DB4P [0,1,1,0,0,0|0,0,0]=2 1963 B11R1.86 CC(Cc1ccccc1Cl)O 1P01EXHL [0,1,1,0,0,0|1,0,0]=3 1964 B11R1.86 CC(Cc1ccccc1I)N 1P00BKEF [0,1,1,0,0,0|0,0,0]=2 1965 B11R1.86 CC(Cc1ccccc1N)C 1P005KTS [0,1,1,0,0,0|1,0,0]=3 1966 B11R1.86 CC(Cc1ccccc1O)C 1P00D6I3 [0,1,1,0,0,0|1,0,0]=3 1967 B11R1.86 CC(Cc1ccccc1O)N 1P01DX8H [0,1,1,0,0,0|0,0,0]=2 1968 B11R1.86 CC(Cc1ccncc1C)N 1P02850K [0,1,1,0,0,0|1,0,0]=3 1969 B11R1.86 CC(Cc1ncccc1Br)C 1P028GXI [0,1,1,0,0,0|2,0,0]=4 1970 B11R1.86 CC(Cc1ncccc1N)C 1P028HKH [0,1,1,0,0,0|2,0,0]=4 1971 B11R1.86 CC(Nc1ccccc1Br)C 1P00B9GJ [0,1,1,0,0,0|2,0,0]=4 1972 B11R1.86 CC(Nc1ccccc1C)C 1P01ABKS [0,1,1,0,0,0|2,0,0]=4 1973 B11R1.86 CC(Nc1ccccc1I)C 1P01AYWT [0,1,1,0,0,0|2,0,0]=4 1974 B11R1.86 CC(Nc1ccccc1N)C 1P00FIA6 [0,1,1,0,0,0|2,0,0]=4 1975 B11R1.86 CC(Nc1ccccc1S)C 1P01UCG1 [0,1,1,0,0,0|2,0,0]=4 1976 B11R1.86 CC(Oc1ccccc1Br)C 1P00375S [0,1,1,0,0,0|2,0,0]=4 1977 B11R1.86 CC(Oc1ccccc1C)C 1P00I71J [0,1,1,0,0,0|2,0,0]=4 1978 B11R1.86 CC(Oc1ccccc1Cl)C 1P00CLSM [0,1,1,0,0,0|2,0,0]=4 1979 B11R1.86 CC(Oc1ccccc1F)C 1P000BWE [0,1,1,0,0,0|2,0,0]=4 1980 B11R1.86 CC(Oc1ccccc1I)C 1P00G9T6 [0,1,1,0,0,0|2,0,0]=4 1981 B11R1.86 CC(Oc1ccccc1N)C 1P002VP9 [0,1,1,0,0,0|2,0,0]=4 1982 B11R1.86 CC(Oc1ccccc1N)C 1P00G7TU [0,1,1,0,0,0|2,0,0]=4 1983 B11R1.86 CC(Oc1ccccc1O)C 1P003HY4 [0,1,1,0,0,0|2,0,0]=4 1984 B11R1.86 CC(Sc1ccccc1N)C 1P00ECRQ [0,1,1,0,0,0|2,0,0]=4 1985 B11R1.86 CC(Sc1ccccc1N)C 1P00IMP0 [0,1,1,0,0,0|2,0,0]=4 1986 B11R1.86 CN(Cc1ccccc1Br)C 1P002BE6 [0,1,1,0,0,0|2,0,0]=4 1987 B11R1.86 CN(Cc1ccccc1F)C 1P002NM7 [0,1,1,0,0,0|2,0,0]=4 1988 B11R1.86 CN(Cc1ccccc1N)C 1P002F0H [0,1,1,0,0,0|2,0,0]=4 1989 B11R1.86 CN(Cc1ccccc1N)C 1P00G7QZ [0,1,1,0,0,0|2,0,0]=4 1990 B11R1.86 CN(Cc1ccccc1N)C 1P00J208 [0,1,1,0,0,0|2,0,0]=4 1991 B11R1.86 CS(=O)Cc1ccccc1N 1P01AC6V [0,1,1,0,0,0|2,0,0]=4 1992 B11R1.86 FC(Cc1ccccc1Br)F 1P028WPX [0,1,1,0,0,0|2,0,0]=4 1993 B11R1.86 NC(=N)Cc1ccccc1Br 1P009BM9 [0,1,1,0,0,0|1,0,1]=4 1994 B11R1.86 NC(=N)Cc1ccccc1C 1P00JTDN [0,1,1,0,0,0|1,0,1]=4 1995 B11R1.86 NC(=N)Cc1ccccc1Cl 1P00DK5P [0,1,1,0,0,0|1,0,1]=4 1996 B11R1.86 NC(=N)Cc1ccccc1F 1P00IED3 [0,1,1,0,0,0|1,0,1]=4 1997 B11R1.86 NC(=O)Cc1ccccc1C 1P00C7O3 [0,1,1,0,0,0|1,0,1]=4 1998 B11R1.86 NC(=O)Cc1ccccc1Cl 1P0008KE [0,1,1,0,0,0|1,0,1]=4 1999 B11R1.86 NC(=O)Cc1ccccc1F 1P00I6ND [0,1,1,0,0,0|1,0,1]=4 2000 B11R1.86 NC(=O)Cc1ccccc1N 1P00BZX4 [0,1,1,0,0,0|1,0,1]=4 2001 B11R1.86 NC(=O)Cc1ccccc1O 1P006Y9M [0,1,1,0,0,0|1,0,1]=4 2002 B11R1.86 NC(=S)Cc1ccccc1Br 1P008SJN [0,1,1,0,0,0|1,0,1]=4 2003 B11R1.86 NC(=S)Cc1ccccc1F 1P00H9ZX [0,1,1,0,0,0|1,0,1]=4 2004 B11R1.157 CC(=C)Cc1cccc(c1)F 1P006BT5 [0,1,1,0,0,0|1,0,1]=4 2005 B11R1.157 CC(=O)Cc1cccc(c1)Br 1P00BC3Y [0,1,1,0,0,0|1,0,1]=4 2006 B11R1.157 CC(=O)Cc1cccc(c1)C 1P002H8X [0,1,1,0,0,0|1,0,1]=4 2007 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1P001GKC [0,1,1,0,0,0|1,0,1]=4 2008 B11R1.157 CC(=O)Cc1cccc(c1)F 1P001ZL5 [0,1,1,0,0,0|1,0,1]=4 2009 B11R1.157 CC(Cc1cc(Br)ccn1)O 1P01FM2O [0,1,1,0,0,0|2,0,0]=4 2010 B11R1.157 CC(Cc1cccc(c1)Br)C 1P001AW5 [0,1,1,0,0,0|1,0,0]=3 2011 B11R1.157 CC(Cc1cccc(c1)Br)N 1P00EKIM [0,1,1,0,0,0|0,0,0]=2 2012 B11R1.157 CC(Cc1cccc(c1)C)N 1P00EM0G [0,1,1,0,0,0|0,0,0]=2 2013 B11R1.157 CC(Cc1cccc(c1)Cl)Br 1P01BCMF [0,1,1,0,0,0|1,0,0]=3 2014 B11R1.157 CC(Cc1cccc(c1)Cl)N 1P00I7HN [0,1,1,0,0,0|0,0,0]=2 2015 B11R1.157 CC(Cc1cccc(c1)Cl)O 1P01DIZP [0,1,1,0,0,0|1,0,0]=3 2016 B11R1.157 CC(Cc1cccc(c1)F)O 1P01A08E [0,1,1,0,0,0|1,0,0]=3 2017 B11R1.157 CC(Cc1cccc(c1)I)C 1P0283V2 [0,1,1,0,0,0|1,0,0]=3 2018 B11R1.157 CC(Cc1cccc(c1)I)N 1P002DNG [0,1,1,0,0,0|0,0,0]=2 2019 B11R1.157 CC(Cc1cccc(c1)O)N 1P00939S [0,1,1,0,0,0|0,0,0]=2 2020 B11R1.157 CC(Cc1cccc(c1)O)N 1P01C23Z [0,1,1,0,0,0|0,0,0]=2 2021 B11R1.157 CC(Nc1cccc(c1)Br)C 1P00A7HU [0,1,1,0,0,0|2,0,0]=4 2022 B11R1.157 CC(Nc1cccc(c1)C)C 1P0007BJ [0,1,1,0,0,0|2,0,0]=4 2023 B11R1.157 CC(Nc1cccc(c1)C)C 1P01A9T6 [0,1,1,0,0,0|2,0,0]=4 2024 B11R1.157 CC(Nc1cccc(c1)Cl)C 1P00BXCF [0,1,1,0,0,0|2,0,0]=4 2025 B11R1.157 CC(Nc1cccc(c1)F)C 1P007QOV [0,1,1,0,0,0|2,0,0]=4 2026 B11R1.157 CC(Nc1cccc(c1)O)C 1P002NTG [0,1,1,0,0,0|2,0,0]=4 2027 B11R1.157 CC(Oc1cccc(c1)Br)C 1P00104A [0,1,1,0,0,0|2,0,0]=4 2028 B11R1.157 CC(Oc1cccc(c1)C)C 1P00AR0W [0,1,1,0,0,0|2,0,0]=4 2029 B11R1.157 CC(Oc1cccc(c1)N)C 1P003K2Q [0,1,1,0,0,0|2,0,0]=4 2030 B11R1.157 CC(Oc1cccc(c1)N)C 1P01AVB0 [0,1,1,0,0,0|2,0,0]=4 2031 B11R1.157 CC(Oc1cccc(c1)O)C 1P00ICC1 [0,1,1,0,0,0|2,0,0]=4 2032 B11R1.157 CC(Sc1cccc(c1)Br)C 1P00ICIQ [0,1,1,0,0,0|2,0,0]=4 2033 B11R1.157 CN(Cc1cccc(c1)Br)C 1P00I9A0 [0,1,1,0,0,0|2,0,0]=4 2034 B11R1.157 CN(Cc1cccc(c1)N)C 1P00BCAX [0,1,1,0,0,0|2,0,0]=4 2035 B11R1.157 CN(Cc1cccc(c1)O)C 1P00EM5J [0,1,1,0,0,0|2,0,0]=4 2036 B11R1.157 CS(=O)Cc1cccc(c1)N 1P01AJ7C [0,1,1,0,0,0|2,0,0]=4 2037 B11R1.157 FC(Cc1cccc(c1)N)F 1P023NV9 [0,1,1,0,0,0|2,0,0]=4 2038 B11R1.157 NC(=N)Cc1cccc(c1)Br 1P00HFIH [0,1,1,0,0,0|1,0,1]=4 2039 B11R1.157 NC(=N)Cc1cccc(c1)Cl 1P00EQSS [0,1,1,0,0,0|1,0,1]=4 2040 B11R1.157 NC(=N)Cc1cccc(c1)F 1P00IED4 [0,1,1,0,0,0|1,0,1]=4 2041 B11R1.157 NC(=O)Cc1cccc(c1)Br 1P00IB5E [0,1,1,0,0,0|1,0,1]=4 2042 B11R1.157 NC(=O)Cc1cccc(c1)Cl 1P00EB7X [0,1,1,0,0,0|1,0,1]=4 2043 B11R1.157 NC(=O)Cc1cccc(c1)N 1P000U3S [0,1,1,0,0,0|1,0,1]=4 2044 B11R1.157 NC(=O)Cc1cccc(c1)O 1P007OXP [0,1,1,0,0,0|1,0,1]=4 2045 B11R1.157 NC(=S)Cc1cccc(c1)C 1P006SWU [0,1,1,0,0,0|1,0,1]=4 2046 B11R1.157 NC(=S)Cc1cccc(c1)Cl 1P004VQ7 [0,1,1,0,0,0|1,0,1]=4 2047 B11R1.157 NC(=S)Cc1cccc(c1)F 1P01A5WM [0,1,1,0,0,0|1,0,1]=4 2048 B11R1.509 CC(Cc1ccccc1)(C)C 1P000347 [0,1,1,0,0,0|1,0,0]=3 2049 B11R1.509 CC(Cc1ccccc1)(Cl)C 1P0021FA [0,1,1,0,0,0|1,0,0]=3 2050 B11R1.509 CC(Cc1ccccc1)(O)C 1P003I27 [0,1,1,0,0,0|1,0,0]=3 2051 B11R1.509 CC(Nc1ccccc1)(C)C 1P01RVL9 [0,1,1,0,0,0|2,0,0]=4 2052 B11R1.509 CC(Oc1ccccc1)(C)C 1P0035XZ [0,1,1,0,0,0|2,0,0]=4 2053 B11R1.509 CP(=O)(Cc1ccccc1)C 1P00765L [0,1,1,0,0,0|2,0,0]=4 2054 B11R1.509 CS(=O)(=N)Cc1ccccc1 1P007ADZ [0,1,1,0,0,0|1,0,1]=4 2055 B11R1.509 CS(=O)(=O)Cc1ccccc1 1P0032MN [0,1,1,0,0,0|2,0,0]=4 2056 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0000OI [0,1,1,0,0,0|2,0,0]=4 2057 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P000FZG [0,1,1,0,0,0|2,0,0]=4 2058 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z5 [0,1,1,0,0,0|2,0,0]=4 2059 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P0034Z6 [0,1,1,0,0,0|2,0,0]=4 2060 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM0 [0,1,1,0,0,0|2,0,0]=4 2061 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM2 [0,1,1,0,0,0|2,0,0]=4 2062 B11R1.509 C[N+](Cc1ccccc1)(C)C 1P003OM3 [0,1,1,0,0,0|2,0,0]=4 2063 B11R1.509 C[Si](Cc1ccccc1)(C)C 1P0034Z7 [0,1,1,0,0,0|1,1,0]=4 2064 B11R1.509 C[Si](Cc1ccccc1)(Cl)C 1P0027YB [0,1,1,0,0,0|1,1,0]=4 2065 B11R1.509 FC(Cc1ccccc1)(F)F 1P00BJVJ [0,1,1,0,0,0|2,0,0]=4 2066 B11R1.509 NS(=O)(=O)Cc1ccccc1 1P0036ER [0,1,1,0,0,0|2,0,0]=4 2067 B11R2.34 Brc1ccc(cc1)C2CC2 1P0038OR [1,1,0,0,0,0|0,0,0]=2 2068 B11R2.34 Brc1ccc(cc1)C2N=N2 1P027ZQL [1,1,0,0,0,0|2,0,0]=4 2069 B11R2.34 Brc1ccc(cc1)C2OC2 1P003FC0 [1,1,0,0,0,0|1,0,0]=3 2070 B11R2.34 Brc1ccc(cc1)[C@@H]2OC2 1P001LKD [1,1,0,0,0,0|1,0,0]=3 2071 B11R2.34 Brc1ccc(cc1)[C@H]2OC2 1P00EB4X [1,1,0,0,0,0|1,0,0]=3 2072 B11R2.34 Brc1ccc(cn1)C2CC2 1P000BAY [1,1,0,0,0,0|1,0,0]=3 2073 B11R2.34 Brc1ccc(nc1)C2CC2 1P00ED5S [1,1,0,0,0,0|1,0,0]=3 2074 B11R2.34 Brc1ccc(nc1)C2CC2 1P01ELK6 [1,1,0,0,0,0|1,0,0]=3 2075 B11R2.34 Brc1ccc(nn1)C2CC2 1P00IMQM [1,1,0,0,0,0|2,0,0]=4 2076 B11R2.34 Brc1cnc(nc1)C2CC2 1P0030SO [1,1,0,0,0,0|2,0,0]=4 2077 B11R2.34 Brc1ncc(cn1)C2CC2 1P024V6S [1,1,0,0,0,0|2,0,0]=4 2078 B11R2.34 Brc1ncc(nc1)C2CC2 1P003ANH [1,1,0,0,0,0|2,0,0]=4 2079 B11R2.34 Cc1ccc(cc1)C2OC2 1P000VY7 [1,1,0,0,0,0|1,0,0]=3 2080 B11R2.34 Clc1ccc(cc1)C2NC2 1P01JMG2 [1,1,0,0,0,0|1,0,0]=3 2081 B11R2.34 Clc1ccc(cc1)C2OC2 1P003FCI [1,1,0,0,0,0|1,0,0]=3 2082 B11R2.34 Clc1ccc(cc1)[C@H]2OC2 1P002L31 [1,1,0,0,0,0|1,0,0]=3 2083 B11R2.34 Clc1ccc(cn1)C2CC2 1P0086KV [1,1,0,0,0,0|1,0,0]=3 2084 B11R2.34 Clc1ccc(nn1)C2CC2 1P0099MM [1,1,0,0,0,0|2,0,0]=4 2085 B11R2.34 Clc1ncc(cn1)C2CC2 1P0039DV [1,1,0,0,0,0|2,0,0]=4 2086 B11R2.34 Fc1ccc(cc1)C2OC2 1P003FD2 [1,1,0,0,0,0|1,0,0]=3 2087 B11R2.34 Fc1ccc(cc1)[C@H]2OC2 1P003CN1 [1,1,0,0,0,0|1,0,0]=3 2088 B11R2.34 Fc1ccc(cn1)C2CC2 1P008U4U [1,1,0,0,0,0|1,0,0]=3 2089 B11R2.34 Fc1ccc(nc1)C2CC2 1P01AM4S [1,1,0,0,0,0|1,0,0]=3 2090 B11R2.34 Fc1ccc(nc1)C2CO2 1P01B8QE [1,1,0,0,0,0|2,0,0]=4 2091 B11R2.34 Ic1ccc(nc1)C2CC2 1P028ZZI [1,1,0,0,0,0|1,0,0]=3 2092 B11R2.34 Ic1cnc(nc1)C2CC2 1P028IA8 [1,1,0,0,0,0|2,0,0]=4 2093 B11R2.34 Nc1ccc(cc1)C2CC2 1P001RDL [1,1,0,0,0,0|0,0,0]=2 2094 B11R2.34 Nc1ccc(cc1)C2CC2 1P007JBJ [1,1,0,0,0,0|0,0,0]=2 2095 B11R2.34 Nc1ccc(cn1)C2CC2 1P00H1KX [1,1,0,0,0,0|1,0,0]=3 2096 B11R2.34 Nc1ccc(nc1)C2CC2 1P000HQU [1,1,0,0,0,0|1,0,0]=3 2097 B11R2.34 Nc1ccc(nn1)C2CC2 1P000HRG [1,1,0,0,0,0|2,0,0]=4 2098 B11R2.34 Nc1cnc(nc1)C2CC2 1P000GYP [1,1,0,0,0,0|2,0,0]=4 2099 B11R2.34 Nc1ncc(cn1)C2CC2 1P00BI0O [1,1,0,0,0,0|2,0,0]=4 2100 B11R2.34 Nc1ncc(nc1)C2CC2 1P01G0BM [1,1,0,0,0,0|2,0,0]=4 2101 B11R2.34 O=c1ccc(c[nH]1)C2CC2 1P000HQV [1,1,0,0,0,0|1,0,0]=3 2102 B11R2.34 O=c1ccc(n[nH]1)C2CC2 1P000CA6 [1,1,0,0,0,0|2,0,0]=4 2103 B11R2.34 Oc1ccc(cc1)C2CC2 1P007JIO [1,1,0,0,0,0|0,0,0]=2 2104 B11R2.34 Oc1cnc(nc1)C2CC2 1P005JOH [1,1,0,0,0,0|2,0,0]=4 2105 B11R2.35 Brc1cccc(c1)C2CC2 1P0027QL [1,1,0,0,0,0|0,0,0]=2 2106 B11R2.35 Brc1cccc(c1)C2CO2 1P000ZWU [1,1,0,0,0,0|1,0,0]=3 2107 B11R2.35 Brc1cccc(c1)[C@@H]2CO2 1P027XMF [1,1,0,0,0,0|1,0,0]=3 2108 B11R2.35 Brc1cccc(c1)[C@H]2CO2 1P024UOY [1,1,0,0,0,0|1,0,0]=3 2109 B11R2.35 Brc1ccnc(c1)C2CC2 1P008ZK8 [1,1,0,0,0,0|1,0,0]=3 2110 B11R2.35 Brc1cncc(c1)C2CC2 1P0038QH [1,1,0,0,0,0|1,0,0]=3 2111 B11R2.35 Brc1nccc(c1)C2CC2 1P009MDC [1,1,0,0,0,0|1,0,0]=3 2112 B11R2.35 Brc1ncnc(c1)C2CC2 1P01B6LE [1,1,0,0,0,0|2,0,0]=4 2113 B11R2.35 Cc1cccc(c1)C2CO2 1P002J8A [1,1,0,0,0,0|1,0,0]=3 2114 B11R2.35 Cc1nccc(c1)C2CC2 1P01EYDU [1,1,0,0,0,0|1,0,0]=3 2115 B11R2.35 Clc1cccc(c1)C2CO2 1P002J89 [1,1,0,0,0,0|1,0,0]=3 2116 B11R2.35 Clc1cccc(c1)[C@@H]2CO2 1P003CKW [1,1,0,0,0,0|1,0,0]=3 2117 B11R2.35 Clc1cccc(c1)[C@H]2CO2 1P00H9EB [1,1,0,0,0,0|1,0,0]=3 2118 B11R2.35 Clc1cccc(n1)C2CC2 1P00GABP [1,1,0,0,0,0|1,0,0]=3 2119 B11R2.35 Clc1ccnc(c1)C2CC2 1P01DNMZ [1,1,0,0,0,0|1,0,0]=3 2120 B11R2.35 Clc1ccnc(n1)C2CC2 1P008ZQ9 [1,1,0,0,0,0|2,0,0]=4 2121 B11R2.35 Clc1cncc(c1)C2CC2 1P000OUT [1,1,0,0,0,0|1,0,0]=3 2122 B11R2.35 Clc1cncc(n1)C2CC2 1P008ZJW [1,1,0,0,0,0|2,0,0]=4 2123 B11R2.35 Clc1nccc(c1)C2CC2 1P001YVG [1,1,0,0,0,0|1,0,0]=3 2124 B11R2.35 Clc1nccc(n1)C2CC2 1P01KARO [1,1,0,0,0,0|2,0,0]=4 2125 B11R2.35 Clc1ncnc(c1)C2CC2 1P00FDGV [1,1,0,0,0,0|2,0,0]=4 2126 B11R2.35 Fc1cccc(c1)C2CO2 1P00B1FF [1,1,0,0,0,0|1,0,0]=3 2127 B11R2.35 Fc1cccc(c1)[C@@H]2CO2 1P003CN0 [1,1,0,0,0,0|1,0,0]=3 2128 B11R2.35 Fc1cccc(c1)[C@H]2CO2 1P024USB [1,1,0,0,0,0|1,0,0]=3 2129 B11R2.35 Fc1cccc(n1)C2CC2 1P01EI86 [1,1,0,0,0,0|1,0,0]=3 2130 B11R2.35 Fc1nccc(c1)C2CC2 1P021Q1X [1,1,0,0,0,0|1,0,0]=3 2131 B11R2.35 Ic1cccc(c1)C2CC2 1P0291ML [1,1,0,0,0,0|0,0,0]=2 2132 B11R2.35 N=c1[nH]ccc(c1)C2CC2 1P00IGRT [1,1,0,0,0,0|1,0,0]=3 2133 B11R2.35 NC1=CC=CC(C2CC2)=C1 1P01FX3B [1,1,0,0,0,0|0,0,0]=2 2134 B11R2.35 Nc1cccc(c1)C2CC2 1P00DIF8 [1,1,0,0,0,0|0,0,0]=2 2135 B11R2.35 Nc1cccc(n1)C2CC2 1P01AMGP [1,1,0,0,0,0|1,0,0]=3 2136 B11R2.35 Nc1ccnc(c1)C2CC2 1P00D5AE [1,1,0,0,0,0|1,0,0]=3 2137 B11R2.35 Nc1ccnc(n1)C2CC2 1P00BI6N [1,1,0,0,0,0|2,0,0]=4 2138 B11R2.35 Nc1cncc(c1)C2CC2 1P00AAXR [1,1,0,0,0,0|1,0,0]=3 2139 B11R2.35 Nc1cncc(c1)C2CC2 1P028VR0 [1,1,0,0,0,0|1,0,0]=3 2140 B11R2.35 Nc1cnnc(c1)C2CC2 1P028Y3K [1,1,0,0,0,0|2,0,0]=4 2141 B11R2.35 Nc1nccc(n1)C2CC2 1P00C2KZ [1,1,0,0,0,0|2,0,0]=4 2142 B11R2.35 Nc1ncnc(c1)C2CC2 1P00FU57 [1,1,0,0,0,0|2,0,0]=4 2143 B11R2.35 O=c1[nH]ccc(n1)C2CC2 1P01C8V9 [1,1,0,0,0,0|2,0,0]=4 2144 B11R2.35 O=c1cc[nH]c(n1)C2CC2 1P005VFY [1,1,0,0,0,0|2,0,0]=4 2145 B11R2.35 O=c1ccoc(c1)C2CC2 1P028ZFS [1,1,0,0,0,0|1,0,0]=3 2146 B11R2.35 Oc1cccc(c1)C2CC2 1P002XAN [1,1,0,0,0,0|0,0,0]=2 2147 B11R2.35 Oc1ccnc(c1)C2CC2 1P01DVH5 [1,1,0,0,0,0|1,0,0]=3 2148 B11R2.35 Oc1ncnc(c1)C2CC2 1P005JZY [1,1,0,0,0,0|2,0,0]=4 2149 B11R2.35 Sc1cccc(c1)C2CC2 1P028RHO [1,1,0,0,0,0|0,0,0]=2 2150 B11R2.35 Sc1nccc(n1)C2CC2 1P0284PJ [1,1,0,0,0,0|2,0,0]=4 2151 B11R2.40 BrC1(CC1)c2ccccc2 1P01A4ZK [1,1,0,0,0,0|0,0,0]=2 2152 B11R2.40 CC1(CC1)c2ccncc2 1P01EYET [1,1,0,0,0,0|1,0,0]=3 2153 B11R2.40 CC1(OC1)c2ccccc2 1P002K7B [1,1,0,0,0,0|1,0,0]=3 2154 B11R2.40 ClC1(CC1)c2ccccc2 1P000BTP [1,1,0,0,0,0|0,0,0]=2 2155 B11R2.40 NC1(CC1)c2ccccc2 1P003F32 [1,1,0,0,0,0|0,0,0]=2 2156 B11R2.40 NC1(CC1)c2ccccc2 1P00BZE5 [1,1,0,0,0,0|0,0,0]=2 2157 B11R2.40 NC1(CC1)c2ccccn2 1P0015KJ [1,1,0,0,0,0|1,0,0]=3 2158 B11R2.40 NC1(CC1)c2ccccn2 1P0032Z8 [1,1,0,0,0,0|1,0,0]=3 2159 B11R2.40 NC1(CC1)c2ccccn2 1P0073KS [1,1,0,0,0,0|1,0,0]=3 2160 B11R2.40 NC1(CC1)c2cccnc2 1P0092UL [1,1,0,0,0,0|1,0,0]=3 2161 B11R2.40 NC1(CC1)c2cccnc2 1P00I9HY [1,1,0,0,0,0|1,0,0]=3 2162 B11R2.40 NC1(CC1)c2ccncc2 1P000K5N [1,1,0,0,0,0|1,0,0]=3 2163 B11R2.40 NC1(CC1)c2ccncn2 1P01B2IL [1,1,0,0,0,0|2,0,0]=4 2164 B11R2.40 NC1(CC1)c2ccncn2 1P027YK3 [1,1,0,0,0,0|2,0,0]=4 2165 B11R2.40 NC1(CC1)c2ncccn2 1P000HPM [1,1,0,0,0,0|2,0,0]=4 2166 B11R2.40 NC1(CC1)c2ncccn2 1P000HUM [1,1,0,0,0,0|2,0,0]=4 2167 B11R2.40 NC1(CC1)c2ncccn2 1P0015KI [1,1,0,0,0,0|2,0,0]=4 2168 B11R2.40 NC1(CC1)c2nccnc2 1P000O9F [1,1,0,0,0,0|2,0,0]=4 2169 B11R2.40 NC1(CC1)c2nccnc2 1P024TTD [1,1,0,0,0,0|2,0,0]=4 2170 B11R2.40 OC1(CC1)c2ccccc2 1P002Z3X [1,1,0,0,0,0|0,0,0]=2 2171 B11R2.40 OC1(CC1)c2ccccn2 1P028V5T [1,1,0,0,0,0|1,0,0]=3 2172 B11R2.40 OC1(CC1)c2ccncc2 1P028FQT [1,1,0,0,0,0|1,0,0]=3 2173 B11R2.55 Brc1ccccc1C2CC2 1P00EKI4 [1,1,0,0,0,0|0,0,0]=2 2174 B11R2.55 Brc1ccccc1C2CO2 1P00FLU7 [1,1,0,0,0,0|1,0,0]=3 2175 B11R2.55 Brc1cccnc1C2CC2 1P00IINS [1,1,0,0,0,0|1,0,0]=3 2176 B11R2.55 Brc1ccncc1C2CC2 1P01BU2H [1,1,0,0,0,0|1,0,0]=3 2177 B11R2.55 Brc1cnccc1C2CC2 1P009JRX [1,1,0,0,0,0|1,0,0]=3 2178 B11R2.55 Brc1cncnc1C2CC2 1P009X06 [1,1,0,0,0,0|2,0,0]=4 2179 B11R2.55 Brc1ncccc1C2CC2 1P000OT6 [1,1,0,0,0,0|1,0,0]=3 2180 B11R2.55 Cc1cnccc1C2CC2 1P01EYF3 [1,1,0,0,0,0|1,0,0]=3 2181 B11R2.55 Clc1ccccc1C2CO2 1P00EC6T [1,1,0,0,0,0|1,0,0]=3 2182 B11R2.55 Clc1ccccc1[C@@H]2CO2 1P01BH98 [1,1,0,0,0,0|1,0,0]=3 2183 B11R2.55 Clc1ccccc1[C@H]2CO2 1P001GT6 [1,1,0,0,0,0|1,0,0]=3 2184 B11R2.55 Clc1ccncc1C2CC2 1P01ENJN [1,1,0,0,0,0|1,0,0]=3 2185 B11R2.55 Clc1ncccc1C2CC2 1P00IEL7 [1,1,0,0,0,0|1,0,0]=3 2186 B11R2.55 Clc1nccnc1C2CC2 1P023I0A [1,1,0,0,0,0|2,0,0]=4 2187 B11R2.55 Fc1ccccc1C2CO2 1P018SD8 [1,1,0,0,0,0|1,0,0]=3 2188 B11R2.55 Fc1ncccc1C2CC2 1P000JI1 [1,1,0,0,0,0|1,0,0]=3 2189 B11R2.55 Nc1ccccc1C2CC2 1P0033QU [1,1,0,0,0,0|0,0,0]=2 2190 B11R2.55 Nc1ccccc1C2CC2 1P0092WD [1,1,0,0,0,0|0,0,0]=2 2191 B11R2.55 Nc1cccnc1C2CC2 1P001HGB [1,1,0,0,0,0|1,0,0]=3 2192 B11R2.55 Nc1ccncc1C2CC2 1P01X2YX [1,1,0,0,0,0|1,0,0]=3 2193 B11R2.55 Nc1cnccc1C2CC2 1P0292BO [1,1,0,0,0,0|1,0,0]=3 2194 B11R2.55 Nc1ncccc1C2CC2 1P003BBO [1,1,0,0,0,0|1,0,0]=3 2195 B11R2.55 Nc1ncccc1C2CC2 1P028UZ7 [1,1,0,0,0,0|1,0,0]=3 2196 B11R2.55 Nc1nccnc1C2CC2 1P00HFD0 [1,1,0,0,0,0|2,0,0]=4 2197 B11R2.55 O=c1[nH]cccc1C2CC2 1P00G9Z7 [1,1,0,0,0,0|1,0,0]=3 2198 B11R2.55 Oc1ccccc1C2CC2 1P007JIP [1,1,0,0,0,0|0,0,0]=2 2199 B11R2.32 NC[C@@H]1C[C@H]1c2cccs2 1P027ZZB [0,1,0,0,1,0|1,0,0]=3 2200 B11R2.32 NC[C@@H]1C[C@H]1c2cscc2 1P027VT8 [0,1,0,0,1,0|1,0,0]=3 2201 B11R2.32 O=C[C@@H]1C[C@H]1c2ccco2 1P028RSW [0,1,0,0,1,0|2,0,0]=4 2202 B11R2.32 O=C[C@@H]1C[C@H]1c2cccs2 1P028DJS [0,1,0,0,1,0|2,0,0]=4 2203 B11R2.32 O=C[C@@H]1C[C@H]1c2cscc2 1P028E6G [0,1,0,0,1,0|2,0,0]=4 2204 B11R2.32 OC[C@@H]1C[C@H]1c2ccco2 1P0285Y9 [0,1,0,0,1,0|2,0,0]=4 2205 B11R2.32 OC[C@@H]1C[C@H]1c2cocc2 1P028BER [0,1,0,0,1,0|2,0,0]=4 2206 B11R2.32 OC[C@@H]1C[C@H]1c2cscc2 1P028H18 [0,1,0,0,1,0|2,0,0]=4 2207 B11R2.50 CC1CC1(N)c2cccs2 1P027WPF [0,1,0,0,1,0|2,0,0]=4 2208 B11R2.51 N[C@@H]1C[C@H]1c2ccnn2C 1P028M6L [0,1,0,0,1,0|2,0,0]=4 2209 B13R2.50 BrCC1CN1Cc2ccccc2 1P01C2NB [0,1,0,0,0,1|2,0,0]=4 2210 B13R2.50 OCC1CC1Cc2ccccc2 1P01CAOY [0,1,0,0,0,1|1,0,0]=3 2211 B13R2.187 ClC1(Cl)CC1Sc2ccccc2 1P003FR8 [0,1,0,0,0,1|1,0,0]=3 2212 B13R2.197 C[C@@H]1C[C@@]1(N)Cc2ccccc2 1P028M9C [0,1,0,0,0,1|1,0,0]=3 2213 B13R2.382 NC(c1ccccc1)C2CC2C 1P01AJ60 [0,1,0,0,0,1|1,0,0]=3 2214 B13R2.52 CNC1CC(C1)c2cccnc2 1P01DVX2 [0,1,0,0,0,1|1,0,0]=3 2215 B13R2.52 CNC1CC(C1)c2ccncc2 1P01DW1J [0,1,0,0,0,1|1,0,0]=3 2216 B13R2.52 CN[C@@H]1C[C@H](C1)c2ccccc2 1P01FJYO [0,1,0,0,0,1|0,0,0]=2 2217 B13R2.52 NCC1CC(C1)c2ccccc2 1P01B9PN [0,1,0,0,0,1|0,0,0]=2 2218 B13R2.52 NC[C@@H]1C[C@@H](C1)c2ccccc2 1P01B7SU [0,1,0,0,0,1|0,0,0]=2 2219 B13R2.52 OCC1CC(C1)c2ccccc2 1P028VGA [0,1,0,0,0,1|1,0,0]=3 2220 B13R2.52 ON=C1CC(C1)c2ccccc2 1P01H72G [0,1,0,0,0,1|0,0,2]=4 2221 B13R2.147 NC1CC(=C1)c2ccc(cc2)F 1P0286AV [0,1,0,0,0,1|0,0,1]=3 2222 B13R2.147 NC1CC(C1)c2ccc(cc2)Br 1P01AHSZ [0,1,0,0,0,1|0,0,0]=2 2223 B13R2.147 N[C@@H]1C[C@H](C1)c2ccc(cc2)Br 1P01BI3A [0,1,0,0,0,1|0,0,0]=2 2224 B13R2.147 N[C@@H]1C[C@H](C1)c2ccc(cc2)C 1P028GQM [0,1,0,0,0,1|0,0,0]=2 2225 B13R2.147 N[C@@H]1C[C@H](C1)c2ccc(cc2)Cl 1P01BHSC [0,1,0,0,0,1|0,0,0]=2 2226 B13R2.147 N[C@@H]1C[C@H](C1)c2ccc(cc2)F 1P01AMAF [0,1,0,0,0,1|0,0,0]=2 2227 B13R2.147 O=C1CC(C1)c2ccc(cc2)Br 1P0033X4 [0,1,0,0,0,1|1,0,1]=4 2228 B13R2.147 O=C1CC(C1)c2ccc(cc2)C 1P019VK8 [0,1,0,0,0,1|1,0,1]=4 2229 B13R2.147 O=C1CC(C1)c2ccc(cc2)Cl 1P019VK9 [0,1,0,0,0,1|1,0,1]=4 2230 B13R2.147 O=C1CC(C1)c2ccc(cc2)F 1P007KE2 [0,1,0,0,0,1|1,0,1]=4 2231 B13R2.147 O=C1CC(N1)c2ccc(cc2)Br 1P009MHJ [0,1,0,0,0,1|1,0,1]=4 2232 B13R2.147 O=C1CC(N1)c2ccc(cc2)Cl 1P019SHC [0,1,0,0,0,1|1,0,1]=4 2233 B13R2.147 OC1CC(C1)c2ccc(cc2)Br 1P000J4J [0,1,0,0,0,1|1,0,0]=3 2234 B13R2.147 OC1CC(C1)c2ccc(cc2)F 1P01AA9C [0,1,0,0,0,1|1,0,0]=3 2235 B13R2.147 OC1CN(C1)c2ccc(cc2)N 1P00CQOJ [0,1,0,0,0,1|2,0,0]=4 2236 B13R2.147 O[C@@H]1C[C@@H](C1)c2ccc(cc2)Br 1P01BCDD [0,1,0,0,0,1|1,0,0]=3 2237 B13R2.147 O[C@@H]1C[C@H](C1)c2ccc(cc2)Br 1P01BG9P [0,1,0,0,0,1|1,0,0]=3 2238 B13R2.151 NC1CC(C1)c2cccc(c2)Br 1P021L9Z [0,1,0,0,0,1|0,0,0]=2 2239 B13R2.151 NC1CC(C1)c2cccc(c2)Cl 1P019S84 [0,1,0,0,0,1|0,0,0]=2 2240 B13R2.151 NC1CC(C1)c2cccc(c2)Cl 1P01AECA [0,1,0,0,0,1|0,0,0]=2 2241 B13R2.151 N[C@@H]1C[C@H](C1)c2cccc(c2)Br 1P01FJ2N [0,1,0,0,0,1|0,0,0]=2 2242 B13R2.151 N[C@@H]1C[C@H](C1)c2cccc(c2)C 1P01BI32 [0,1,0,0,0,1|0,0,0]=2 2243 B13R2.151 N[C@@H]1C[C@H](C1)c2cccc(c2)Cl 1P01B812 [0,1,0,0,0,1|0,0,0]=2 2244 B13R2.151 N[C@@H]1C[C@H](C1)c2cccc(c2)F 1P01B7ZG [0,1,0,0,0,1|0,0,0]=2 2245 B13R2.151 O=C1CC(C1)c2cccc(c2)Br 1P008A6X [0,1,0,0,0,1|1,0,1]=4 2246 B13R2.151 O=C1CC(C1)c2cccc(c2)C 1P019VKA [0,1,0,0,0,1|1,0,1]=4 2247 B13R2.151 O=C1CC(C1)c2cccc(c2)Cl 1P00AXNC [0,1,0,0,0,1|1,0,1]=4 2248 B13R2.151 O=C1CC(C1)c2cccc(c2)F 1P019VKB [0,1,0,0,0,1|1,0,1]=4 2249 B13R2.151 O=C1CC(N1)c2cccc(c2)Br 1P01A6JR [0,1,0,0,0,1|1,0,1]=4 2250 B13R2.151 O=C1CC(N1)c2cccc(c2)O 1P0282V6 [0,1,0,0,0,1|1,0,1]=4 2251 B13R2.151 OC1CC(C1)c2cccc(c2)Cl 1P01A2GP [0,1,0,0,0,1|1,0,0]=3 2252 B13R2.151 OC1CN(C1)c2cccc(c2)Br 1P0287AK [0,1,0,0,0,1|2,0,0]=4 2253 B13R2.151 OC1CN(C1)c2cccc(c2)N 1P00AO56 [0,1,0,0,0,1|2,0,0]=4 2254 B13R2.151 O[C@@H]1C[C@@H](C1)c2cccc(c2)Cl 1P01BCIN [0,1,0,0,0,1|1,0,0]=3 2255 B13R2.216 NC1CC(C1)c2ccccc2Br 1P01ABG6 [0,1,0,0,0,1|0,0,0]=2 2256 B13R2.216 NC1CC(C1)c2ccccc2Br 1P01ADZZ [0,1,0,0,0,1|0,0,0]=2 2257 B13R2.216 NC1CC(C1)c2ccccc2Cl 1P01AKAF [0,1,0,0,0,1|0,0,0]=2 2258 B13R2.216 NC1CC(C1)c2ccccc2F 1P01AHJ1 [0,1,0,0,0,1|0,0,0]=2 2259 B13R2.216 N[C@@H]1C[C@H](C1)c2ccccc2C 1P01B86Z [0,1,0,0,0,1|0,0,0]=2 2260 B13R2.216 N[C@@H]1C[C@H](C1)c2ccccc2Cl 1P01B7ZK [0,1,0,0,0,1|0,0,0]=2 2261 B13R2.216 N[C@@H]1C[C@H](C1)c2ccccc2F 1P01BI77 [0,1,0,0,0,1|0,0,0]=2 2262 B13R2.216 O=C1CC(C1)c2ccccc2Br 1P019VKE [0,1,0,0,0,1|1,0,1]=4 2263 B13R2.216 O=C1CC(C1)c2ccccc2C 1P019VKD [0,1,0,0,0,1|1,0,1]=4 2264 B13R2.216 O=C1CC(C1)c2ccccc2Cl 1P00HBJ2 [0,1,0,0,0,1|1,0,1]=4 2265 B13R2.216 O=C1CC(C1)c2ccccc2F 1P009PBK [0,1,0,0,0,1|1,0,1]=4 2266 B13R2.216 O=C1CC(N1)c2ccccc2Cl 1P01B8SA [0,1,0,0,0,1|1,0,1]=4 2267 B13R2.216 OC1CC(C1)c2ccccc2Cl 1P003IHA [0,1,0,0,0,1|1,0,0]=3 2268 B13R2.216 OC1CC(C1)c2ccccc2F 1P01A6DQ [0,1,0,0,0,1|1,0,0]=3 2269 B13R2.216 OC1CN(C1)c2ccccc2N 1P0098HG [0,1,0,0,0,1|2,0,0]=4 2270 B13R2.216 O[C@@H]1C[C@@H](C1)c2ccccc2Cl 1P01C229 [0,1,0,0,0,1|1,0,0]=3 2271 B13R2.216 O[C@@H]1C[C@@H](C1)c2ccccc2F 1P01BCDE [0,1,0,0,0,1|1,0,0]=3 2272 B13R2.216 O[C@@H]1C[C@H](C1)c2ccccc2F 1P028MVG [0,1,0,0,0,1|1,0,0]=3 2273 B13R2.238 CC1CC(C1)(N)c2ccccc2 1P028WQN [0,1,0,0,0,1|1,0,0]=3 2274 B13R2.238 NC1CC(C1)(C)c2ccccc2 1P01ABLI [0,1,0,0,0,1|0,0,0]=2 2275 B13R2.238 NC1CC(C1)(C)c2ccccc2 1P01AE28 [0,1,0,0,0,1|0,0,0]=2 2276 B13R2.238 NC1CC(C1)(O)c2ccccc2 1P00ILMJ [0,1,0,0,0,1|0,0,0]=2 2277 B13R2.238 N[C@@H]1C[C@@](C1)(O)c2ccccc2 1P028B8X [0,1,0,0,0,1|0,0,0]=2 2278 B13R2.238 N[C@@H]1C[C@@](C1)(O)c2ccccn2 1P0281DR [0,1,0,0,0,1|1,0,0]=3 2279 B13R2.238 N[C@@H]1C[C@@](C1)(O)c2cccnc2 1P028177 [0,1,0,0,0,1|1,0,0]=3 2280 B13R2.238 N[C@@H]1C[C@@](C1)(O)c2ccncc2 1P0281LZ [0,1,0,0,0,1|1,0,0]=3 2281 B13R2.238 O=C1CC(C1)(C)c2ccccc2 1P00AOIQ [0,1,0,0,0,1|1,0,1]=4 2282 B13R2.238 OC1CC(C1)(O)c2ccccc2 1P0285FN [0,1,0,0,0,1|1,0,0]=3 2283 B13R2.238 O[C@@H]1C[C@@](C1)(N)c2ccccc2 1P027ZVX [0,1,0,0,0,1|1,0,0]=3 2284 B13R2.238 O[C@@H]1C[C@@](C1)(O)c2ccccc2 1P028C7E [0,1,0,0,0,1|1,0,0]=3 2285 B13R2.373 CC1C(=O)CC1c2ccccc2 1P01A1L5 [0,1,0,0,0,1|1,0,1]=4 2286 B13R2.373 CC1C(=O)NC1c2ccccc2 1P019SXI [0,1,0,0,0,1|1,0,1]=4 2287 B13R2.373 CC1C(N)CC1c2ccccc2 1P01A0WZ [0,1,0,0,0,1|0,0,0]=2 2288 B13R2.373 NC1CN(C1=O)c2ccccc2 1P01A6AQ [0,1,0,0,0,1|1,0,0]=3 2289 B13R2.373 O[C@H]1C(=O)N[C@H]1c2ccccc2 1P0010QA [0,1,0,0,0,1|1,0,1]=4 2290 B13R2.56 NCC1CCC1c2ccccc2 1P028KYT [0,1,0,0,0,1|0,0,0]=2 2291 B13R2.56 OCC1CCC1c2ccccc2 1P028HTF [0,1,0,0,0,1|1,0,0]=3 2292 B13R2.56 OC[C@@H]1NC[C@H]1c2ccccc2 1P0293CC [0,1,0,0,0,1|1,0,0]=3 2293 B13R2.146 CC1CCN1c2ccc(cc2)Br 1P028HTJ [0,1,0,0,0,1|2,0,0]=4 2294 B13R2.146 CC1CNC1c2ccc(cc2)C 1P01DVYE [0,1,0,0,0,1|1,0,0]=3 2295 B13R2.146 O=C1CCC1c2ccc(cc2)Br 1P024SSH [0,1,0,0,0,1|1,0,1]=4 2296 B13R2.146 O=C1CCC1c2ccc(cc2)Cl 1P0287YY [0,1,0,0,0,1|1,0,1]=4 2297 B13R2.146 O=C1CCC1c2ccc(cc2)F 1P0284W9 [0,1,0,0,0,1|1,0,1]=4 2298 B13R2.146 OC1CCC1c2ccc(cc2)Cl 1P0290QH [0,1,0,0,0,1|1,0,0]=3 2299 B13R2.150 CC1CNC1c2cccc(c2)C 1P01DWIR [0,1,0,0,0,1|1,0,0]=3 2300 B13R2.150 O=C1CCC1c2cccc(c2)Br 1P02858I [0,1,0,0,0,1|1,0,1]=4 2301 B13R2.215 NC1CCC1c2ccccc2Cl 1P01A380 [0,1,0,0,0,1|0,0,0]=2 2302 B13R2.215 NC1CCC1c2ccccc2Cl 1P01AJWL [0,1,0,0,0,1|0,0,0]=2 2303 B13R2.215 O=C1CCC1c2ccccc2Br 1P028QYQ [0,1,0,0,0,1|1,0,1]=4 2304 B13R2.219 CC1(C)CNC1c2ccccc2 1P019XK8 [0,1,0,0,0,1|1,0,0]=3 2305 B13R2.219 CC1(C)CNC1c2ccncc2 1P01BCMY [0,1,0,0,0,1|2,0,0]=4 2306 B13R2.219 FC1(F)CNC1c2ccccc2 1P00ILPK [0,1,0,0,0,1|1,0,0]=3 2307 B13R2.219 FC1(F)CNC1c2ccccc2 1P02817V [0,1,0,0,0,1|1,0,0]=3 2308 B13R2.413 NC1CCC1(C)c2ccccc2 1P02833N [0,1,0,0,0,1|0,0,0]=2 2309 B13R2.413 O=C1CCC1(C)c2ccccc2 1P005VG3 [0,1,0,0,0,1|1,0,1]=4 2310 B13R2.25 C=CC[C@@H]1C[C@H]1c2ccccc2 1P01B778 [0,2,0,0,0,0|1,0,0]=3 2311 B13R2.25 O=C=NC1CC1c2ccccc2 1P01AK28 [0,2,0,0,0,0|0,0,1]=3 2312 B13R2.42 NCC1CC1c2ccc(cc2)F 1P019SYJ [0,2,0,0,0,0|0,0,0]=2 2313 B13R2.42 O=CC1CC1c2ccc(cc2)F 1P01B6NN [0,2,0,0,0,0|1,0,0]=3 2314 B13R2.42 O=C[C@@H]1C[C@H]1c2ccc(cc2)F 1P00CSN9 [0,2,0,0,0,0|1,0,0]=3 2315 B13R2.42 OCC1CC1c2ccc(cc2)Cl 1P01R6AX [0,2,0,0,0,0|1,0,0]=3 2316 B13R2.42 OC[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01XAD4 [0,2,0,0,0,0|1,0,0]=3 2317 B13R2.42 OC[C@@H]1C[C@H]1c2ccc(cc2)F 1P01B6R2 [0,2,0,0,0,0|1,0,0]=3 2318 B13R2.42 OC[C@H]1C[C@@H]1c2ccc(cc2)Cl 1P01XA5E [0,2,0,0,0,0|1,0,0]=3 2319 B13R2.98 CC[C@@]1(O)C[C@H]1c2ccccc2 1P028M6I [0,2,0,0,0,0|1,0,0]=3 2320 B13R2.98 NC[C@]1(C)C[C@H]1c2ccccc2 1P01AMMR [0,2,0,0,0,0|0,0,0]=2 2321 B13R2.98 O=C[C@@]1(C)C[C@@H]1c2ccccc2 1P01C36C [0,2,0,0,0,0|1,0,0]=3 2322 B13R2.136 NC[C@@H]1C[C@H]1c2cccc(c2)F 1P01XA6O [0,2,0,0,0,0|0,0,0]=2 2323 B13R2.423 CC(C1CC1c2ccccc2)N 1P019XM2 [0,2,0,0,0,0|0,0,0]=2 2324 B13R2.423 CC([C@@H]1C[C@H]1c2ccccc2)N 1P01B9JG [0,2,0,0,0,0|0,0,0]=2 2325 B13R2.423 ClC(=O)[C@@H]1C[C@H]1c2ccccc2 1P003VDF [0,2,0,0,0,0|1,0,0]=3 2326 B13R2.423 OC(=O)C1CC1c2ccccc2 1P00EC5Y [0,2,0,0,0,0|1,0,0]=3 2327 B13R2.423 OC(=O)C1CC1c2ccccn2 1P003F9C [0,2,0,0,0,0|2,0,0]=4 2328 B13R2.423 OC(=O)C1CC1c2cccnc2 1P0005UZ [0,2,0,0,0,0|2,0,0]=4 2329 B13R2.423 OC(=O)C1CC1c2ccncc2 1P00JQ1X [0,2,0,0,0,0|2,0,0]=4 2330 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccccc2 1P006AHI [0,2,0,0,0,0|1,0,0]=3 2331 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2cccnc2 1P00JOOD [0,2,0,0,0,0|2,0,0]=4 2332 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccncc2 1P028U6H [0,2,0,0,0,0|2,0,0]=4 2333 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 1P00366E [0,2,0,0,0,0|1,0,0]=3 2334 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cccnc2 1P00FGKV [0,2,0,0,0,0|2,0,0]=4 2335 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cccnc2 1P028DIA [0,2,0,0,0,0|2,0,0]=4 2336 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccncc2 1P01C2R7 [0,2,0,0,0,0|2,0,0]=4 2337 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccc2 1P002MD0 [0,2,0,0,0,0|1,0,0]=3 2338 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccn2 1P01K8Q6 [0,2,0,0,0,0|2,0,0]=4 2339 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2cccnc2 1P001T5Y [0,2,0,0,0,0|2,0,0]=4 2340 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2cccnc2 1P028NSH [0,2,0,0,0,0|2,0,0]=4 2341 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccncc2 1P028RE4 [0,2,0,0,0,0|2,0,0]=4 2342 B13R2.423 OC(=O)[C@H]1C[C@H]1c2ccccc2 1P00CCIK [0,2,0,0,0,0|1,0,0]=3 2343 B13R2.567 OC[C@@H]1C[C@H]1c2ccccc2C 1P01WK6N [0,2,0,0,0,0|1,0,0]=3 2344 B13R2.567 OC[C@@H]1O[C@H]1c2ccccc2I 1P028ZK1 [0,2,0,0,0,0|2,0,0]=4 2345 B13R2.567 OC[C@H]1O[C@@H]1c2ccccc2I 1P0290A3 [0,2,0,0,0,0|2,0,0]=4 2346 B13R2.3080 N[C@@H]1[C@H](C1(C)C)c2ccccc2 1P01B8OH [0,2,0,0,0,0|0,0,0]=2 2347 B13R2.16 COc1ccc(cc1)C2OC2C 1P00E2DE [0,2,0,0,0,0|2,0,0]=4 2348 B13R2.16 N[C@@H]1C[C@H]1c2ccc(cc2)C#N 1P0291K7 [0,2,0,0,0,0|0,0,0]=2 2349 B13R2.16 OCc1ccc(cc1)C2CC2F 1P01JWG7 [0,2,0,0,0,0|1,0,0]=3 2350 B13R2.522 Fc1ccc(cc1F)[C@@H]2C[C@H]2[NH3+] 1P003BXU [0,2,0,0,0,0|0,0,1]=3 2351 B13R2.522 N[C@@H]1C[C@H]1c2ccc(c(c2)F)Br 1P01BH1D [0,2,0,0,0,0|0,0,0]=2 2352 B13R2.522 N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 1P000H4U [0,2,0,0,0,0|0,0,0]=2 2353 B13R2.522 N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 1P001CMW [0,2,0,0,0,0|0,0,0]=2 2354 B13R2.522 N[C@@H]1C[C@H]1c2ccc(c(c2)F)F 1P007QLL [0,2,0,0,0,0|0,0,0]=2 2355 B13R2.522 N[C@H]1C[C@@H]1c2ccc(c(c2)F)Cl 1P0022T1 [0,2,0,0,0,0|0,0,0]=2 2356 B13R2.2987 CC1CC1(N)c2ccc(cc2)Cl 1P01BI73 [0,2,0,0,0,0|1,0,0]=3 2357 B13R2.2987 NC1CC1(C)c2ccc(cc2)Br 1P027UKK [0,2,0,0,0,0|0,0,0]=2 2358 B13R2.2987 NC1CC1(C)c2ccc(cc2)F 1P01ACU6 [0,2,0,0,0,0|0,0,0]=2 2359 B13R2.2987 N[C@H]1C[C@]1(C)c2ccc(cc2)F 1P0287I9 [0,2,0,0,0,0|0,0,0]=2 2360 B13R2.2988 Brc1ccc(cc1)C2CC2(F)Br 1P028XYI [0,2,0,0,0,0|1,0,0]=3 2361 B13R2.2988 FC1(F)CC1c2ccc(cc2)N 1P028ORR [0,2,0,0,0,0|1,0,0]=3 2362 B13R2.2988 FC1(F)CC1c2ccc(cc2)O 1P01DWXL [0,2,0,0,0,0|1,0,0]=3 2363 B13R2.5399 NC1CC1c2ccc(cc2Cl)Cl 1P01AH1W [0,2,0,0,0,0|0,0,0]=2 2364 B13R2.5399 N[C@@H]1C[C@H]1c2ccc(cc2Br)C 1P028GHO [0,2,0,0,0,0|0,0,0]=2 2365 B13R2.81 COc1cccc(c1)[C@@H]2C[C@H]2N 1P01C24E [0,2,0,0,0,0|0,0,0]=2 2366 B13R2.154 NC1CC1c2cccc(c2Cl)Cl 1P01AI3D [0,2,0,0,0,0|0,0,0]=2 2367 B13R2.154 Nc1cccn(c1=O)[C@@H]2C[C@@H]2F 1P027X7W [0,2,0,0,0,0|2,0,0]=4 2368 B13R2.2964 N[C@@H]1C[C@H]1c2cc(Cl)cc(c2)Cl 1P028SEU [0,2,0,0,0,0|0,0,0]=2 2369 B13R2.3019 Fc1cccc(c1)C2(C)CC2N 1P01ACU4 [0,2,0,0,0,0|0,0,0]=2 2370 B13R2.3020 Brc1cccc(c1)C2CC2(F)F 1P019F4Z [0,2,0,0,0,0|1,0,0]=3 2371 B13R2.3020 Nc1cccc(c1)C2CC2(F)F 1P01FKCL [0,2,0,0,0,0|1,0,0]=3 2372 B13R2.3020 Oc1cccc(c1)C2CC2(F)F 1P0288QF [0,2,0,0,0,0|1,0,0]=3 2373 B13R2.3127 N[C@@H]1C[C@H]1c2cc(F)ccc2F 1P01B80L [0,2,0,0,0,0|0,0,0]=2 2374 B13R2.3201 NC1(CC1(C)C)c2ccccc2 1P01B7PW [0,2,0,0,0,0|1,0,0]=3 2375 B13R2.3201 NC1(CC1(F)F)c2ccccc2 1P01EIQF [0,2,0,0,0,0|1,0,0]=3 2376 B13R2.3571 Brc1ccccc1C2CC2(F)F 1P01WK76 [0,2,0,0,0,0|1,0,0]=3 2377 B13R2.3571 Nc1ccccc1C2CC2(F)F 1P01DZNN [0,2,0,0,0,0|1,0,0]=3 2378 B13R2.3571 Oc1ccccc1C2CC2(F)F 1P01DWJL [0,2,0,0,0,0|1,0,0]=3 2379 B13R2.92 COc1ccccc1C2CC2N 1P01ABMN [0,2,0,0,0,0|0,0,0]=2 2380 B13R2.3570 NC1CC1(C)c2ccccc2C 1P01AL9J [0,2,0,0,0,0|0,0,0]=2 2381 B13R2.3570 NC1CC1(C)c2ccccc2Cl 1P01AKI6 [0,2,0,0,0,0|0,0,0]=2 2382 B13R2.3570 NC1CC1(C)c2ccccc2F 1P01AL8D [0,2,0,0,0,0|0,0,0]=2 2383 B13R2.5332 N[C@@H]1C[C@H]1c2c(F)cccc2Br 1P028RPJ [0,2,0,0,0,0|0,0,0]=2 2384 B13R2.2532 NCC1(CC1C)c2ccccc2 1P028ZJ0 [0,2,0,0,0,0|1,0,0]=3 2385 B9R0.45 CCCC\C=C\C=C\C=O 1P00IM07 [0,0,2,0,0,0|2,0,0]=4 2386 B9R0.2 C=CC=CC=CCC(=O)C 1P0286AW [0,0,2,0,0,0|1,0,1]=4 2387 B11R2.1 CC1CCc2c1cccc2 1P003AUM [0,0,1,1,0,0|1,0,0]=3 2388 B11R2.1 CC1CNc2c1cccc2 1P0039RW [0,0,1,1,0,0|0,0,0]=2 2389 B11R2.1 CC1CNc2c1cccc2 1P0073LH [0,0,1,1,0,0|0,0,0]=2 2390 B11R2.1 CC1CNc2c1ccnc2 1P028ISK [0,0,1,1,0,0|1,0,0]=3 2391 B11R2.1 CC1CNc2c1nccc2 1P028GS8 [0,0,1,1,0,0|1,0,0]=3 2392 B11R2.1 CC1COc2c1cccc2 1P008041 [0,0,1,1,0,0|1,0,0]=3 2393 B11R2.1 CC1NCc2c1cccc2 1P01A6S1 [0,0,1,1,0,0|2,0,0]=4 2394 B11R2.1 CN1CCc2c1cccc2 1P00G9YK [0,0,1,1,0,0|2,0,0]=4 2395 B11R2.1 C[C@@H]1NCc2c1cccc2 1P01B7VV [0,0,1,1,0,0|2,0,0]=4 2396 B11R2.1 C[C@H]1NCc2c1cccc2 1P01B7MO [0,0,1,1,0,0|2,0,0]=4 2397 B11R2.1 Cc1c[nH]c2c1cccc2 1P003K87 [0,0,1,1,0,0|0,0,2]=4 2398 B11R2.1 Cc1n[nH]c2c1cccc2 1P00I6HC [0,0,1,1,0,0|1,0,1]=4 2399 B11R2.1 ClC1CCc2c1cccc2 1P00C7HS [0,0,1,1,0,0|2,0,0]=4 2400 B11R2.1 NC1CCc2c1cccc2 1P003EEO [0,0,1,1,0,0|2,0,0]=4 2401 B11R2.1 NC1CCc2c1cccc2 1P003EEP [0,0,1,1,0,0|2,0,0]=4 2402 B11R2.1 NC1COc2c1cccc2 1P003B2V [0,0,1,1,0,0|2,0,0]=4 2403 B11R2.1 NC1CSc2c1cccc2 1P01AJV3 [0,0,1,1,0,0|2,0,0]=4 2404 B11R2.1 N[C@@H]1CCc2c1cccc2 1P0008SL [0,0,1,1,0,0|2,0,0]=4 2405 B11R2.1 N[C@@H]1CCc2c1cccc2 1P0086LZ [0,0,1,1,0,0|2,0,0]=4 2406 B11R2.1 N[C@@H]1COc2c1cccc2 1P01B9VO [0,0,1,1,0,0|2,0,0]=4 2407 B11R2.1 N[C@H]1CCc2c1cccc2 1P0032X1 [0,0,1,1,0,0|2,0,0]=4 2408 B11R2.1 N[C@H]1CCc2c1cccc2 1P00IBB5 [0,0,1,1,0,0|2,0,0]=4 2409 B11R2.1 N[C@H]1COc2c1cccc2 1P00232H [0,0,1,1,0,0|2,0,0]=4 2410 B11R2.1 OC1CCc2c1cccc2 1P003EVW [0,0,1,1,0,0|2,0,0]=4 2411 B11R2.1 OC1COc2c1cccc2 1P01A26G [0,0,1,1,0,0|2,0,0]=4 2412 B11R2.1 O[C@@H]1CCc2c1cccc2 1P003CPA [0,0,1,1,0,0|2,0,0]=4 2413 B11R2.1 O[C@@H]1CSc2c1cccc2 1P001YCG [0,0,1,1,0,0|2,0,0]=4 2414 B11R2.1 O[C@H]1CCc2c1cccc2 1P0032WK [0,0,1,1,0,0|2,0,0]=4 2415 B11R2.1 SC1CCc2c1cccc2 1P0015VF [0,0,1,1,0,0|2,0,0]=4 2416 B11R2.54 O=C1C(C)c2c1cccc2 1P005NMP [0,0,1,1,0,0|1,0,1]=4 2417 B11R2.239 C1CC(C1)c2ccccc2 1P00E02O [0,0,1,1,0,0|1,0,0]=3 2418 B11R2.239 C1CC(N1)c2ccccc2 1P007ONK [0,0,1,1,0,0|2,0,0]=4 2419 B11R2.239 C1CC(O1)c2ccccc2 1P00E03O [0,0,1,1,0,0|2,0,0]=4 2420 B11R2.239 C1C[C@H](N1)c2ccccc2 1P028F5A [0,0,1,1,0,0|2,0,0]=4 2421 B11R2.239 N1CC(C1)c2ccccc2 1P00D8JP [0,0,1,1,0,0|0,0,0]=2 2422 B11R2.239 N1CC(C1)c2ccccc2 1P00G7HV [0,0,1,1,0,0|0,0,0]=2 2423 B11R2.239 N1CC(C1)c2ccccn2 1P002IYO [0,0,1,1,0,0|1,0,0]=3 2424 B11R2.239 N1CC(C1)c2ccccn2 1P01BYCH [0,0,1,1,0,0|1,0,0]=3 2425 B11R2.239 N1CC(C1)c2cccnc2 1P000LDY [0,0,1,1,0,0|1,0,0]=3 2426 B11R2.239 N1CC(C1)c2ccncc2 1P000LDZ [0,0,1,1,0,0|1,0,0]=3 2427 B11R2.239 N1CC(C1)c2ccncn2 1P0019L8 [0,0,1,1,0,0|2,0,0]=4 2428 B11R2.239 N1CC(C1)c2cncnc2 1P01S2AH [0,0,1,1,0,0|2,0,0]=4 2429 B11R2.239 N1CC(C1)c2ncccn2 1P01DL9U [0,0,1,1,0,0|2,0,0]=4 2430 B11R2.239 N1CC(C1)c2ncccn2 1P020M8L [0,0,1,1,0,0|2,0,0]=4 2431 B11R2.239 N1CC(C1)c2nccnc2 1P00HHUI [0,0,1,1,0,0|2,0,0]=4 2432 B11R2.239 O1CC(C1)c2ccccc2 1P007YJ3 [0,0,1,1,0,0|1,0,0]=3 2433 B11R2.988 BrCC1Cc2c1cccc2 1P027V2N [0,0,1,1,0,0|1,0,0]=3 2434 B11R2.988 NCC1Cc2c1cccc2 1P0002MH [0,0,1,1,0,0|0,0,0]=2 2435 B11R2.988 O=CC1Cc2c1cccc2 1P005DML [0,0,1,1,0,0|1,0,1]=4 2436 B11R2.988 OCC1Cc2c1cccc2 1P001NH8 [0,0,1,1,0,0|1,0,0]=3 2437 B11R2.20 C1=Cc2c(CC1)cccc2 1P003DV3 [0,0,1,1,0,0|1,0,1]=4 2438 B11R2.20 C1=NCc2c(N1)cccc2 1P0289Z9 [0,0,1,1,0,0|1,0,1]=4 2439 B11R2.20 C1CCc2c(C1)cccc2 1P000PGN [0,0,1,1,0,0|1,0,0]=3 2440 B11R2.20 C1CCc2c(C1)cncc2 1P003MPY [0,0,1,1,0,0|2,0,0]=4 2441 B11R2.20 C1CCc2c(C1)nccc2 1P003MQ0 [0,0,1,1,0,0|2,0,0]=4 2442 B11R2.20 C1CCc2c(N1)cccc2 1P003DQY [0,0,1,1,0,0|0,0,0]=2 2443 B11R2.20 C1CCc2c(O1)cccc2 1P00DBP3 [0,0,1,1,0,0|1,0,0]=3 2444 B11R2.20 C1CNc2c(C1)cccn2 1P003DQK [0,0,1,1,0,0|1,0,0]=3 2445 B11R2.20 C1CNc2c(C1)ccnc2 1P009I2K [0,0,1,1,0,0|1,0,0]=3 2446 B11R2.20 C1CNc2c(C1)ccnc2 1P028GXO [0,0,1,1,0,0|1,0,0]=3 2447 B11R2.20 C1CNc2c(C1)cncc2 1P003DQJ [0,0,1,1,0,0|1,0,0]=3 2448 B11R2.20 C1CNc2c(C1)nccc2 1P003DQI [0,0,1,1,0,0|1,0,0]=3 2449 B11R2.20 C1CNc2c(N1)cccc2 1P00BZXB [0,0,1,1,0,0|1,0,0]=3 2450 B11R2.20 C1CNc2c(N1)cncc2 1P00CMI6 [0,0,1,1,0,0|2,0,0]=4 2451 B11R2.20 C1CNc2c(N1)nccc2 1P007FGQ [0,0,1,1,0,0|2,0,0]=4 2452 B11R2.20 C1CNc2c(O1)cccc2 1P003IXZ [0,0,1,1,0,0|1,0,0]=3 2453 B11R2.20 C1CNc2c(S1)cccc2 1P0031SR [0,0,1,1,0,0|1,0,0]=3 2454 B11R2.20 C1COc2c(C1)cccn2 1P002SZW [0,0,1,1,0,0|2,0,0]=4 2455 B11R2.20 C1COc2c(C1)nccc2 1P00FDQH [0,0,1,1,0,0|2,0,0]=4 2456 B11R2.20 C1COc2c(N1)cccn2 1P008XTL [0,0,1,1,0,0|2,0,0]=4 2457 B11R2.20 C1COc2c(N1)ccnc2 1P027X67 [0,0,1,1,0,0|2,0,0]=4 2458 B11R2.20 C1COc2c(N1)cncc2 1P0092XE [0,0,1,1,0,0|2,0,0]=4 2459 B11R2.20 C1COc2c(N1)cncc2 1P01C51Z [0,0,1,1,0,0|2,0,0]=4 2460 B11R2.20 C1COc2c(N1)nccc2 1P0029DC [0,0,1,1,0,0|2,0,0]=4 2461 B11R2.20 C1COc2c(O1)cccc2 1P003E31 [0,0,1,1,0,0|2,0,0]=4 2462 B11R2.20 C1COc2c(S1)cccc2 1P01AL87 [0,0,1,1,0,0|2,0,0]=4 2463 B11R2.20 C1CSc2c(N1)cccn2 1P018SR8 [0,0,1,1,0,0|2,0,0]=4 2464 B11R2.20 C1CSc2c(N1)cncc2 1P019Z91 [0,0,1,1,0,0|2,0,0]=4 2465 B11R2.20 N1CCc2c(C1)cccc2 1P003DQW [0,0,1,1,0,0|2,0,0]=4 2466 B11R2.20 O1CCc2c(C1)cccc2 1P003RK8 [0,0,1,1,0,0|2,0,0]=4 2467 B11R2.20 c1ccc2c(c1)C=NCC2 1P00C0VZ [0,0,1,1,0,0|2,0,0]=4 2468 B11R2.238 C1CC1Cc2ccccc2 1P001XDJ [0,0,1,1,0,0|1,0,0]=3 2469 B11R2.238 C1CC1Nc2ccccc2 1P00CHSB [0,0,1,1,0,0|2,0,0]=4 2470 B11R2.238 C1CC1Sc2ccccc2 1P001EDN [0,0,1,1,0,0|2,0,0]=4 2471 B11R2.238 N1CC1Cc2ccccc2 1P001AL5 [0,0,1,1,0,0|0,0,0]=2 2472 B11R2.238 N1C[C@@H]1Cc2ccccc2 1P003D1R [0,0,1,1,0,0|0,0,0]=2 2473 B11R2.238 O1CC1Cc2ccccc2 1P00D8Y6 [0,0,1,1,0,0|1,0,0]=3 2474 B11R2.238 O1C[C@@H]1Cc2ccccc2 1P01IZ8T [0,0,1,1,0,0|1,0,0]=3 2475 B11R2.238 O1C[C@H]1Cc2ccccc2 1P006BHY [0,0,1,1,0,0|1,0,0]=3 2476 B11R2.10 BrC1Cc2c(C1)cccc2 1P0024Z3 [0,0,1,1,0,0|1,0,0]=3 2477 B11R2.10 CC1=Cc2c(C1)cccc2 1P00BVKD [0,0,1,1,0,0|1,0,1]=4 2478 B11R2.10 CC1Cc2c(C1)cccc2 1P0036Z1 [0,0,1,1,0,0|1,0,0]=3 2479 B11R2.10 CC1Cc2c(N1)cccc2 1P003BPY [0,0,1,1,0,0|0,0,0]=2 2480 B11R2.10 CC1Cc2c(N1)ccnc2 1P01AMN5 [0,0,1,1,0,0|1,0,0]=3 2481 B11R2.10 CC1Cc2c(N1)nccc2 1P00GA8F [0,0,1,1,0,0|1,0,0]=3 2482 B11R2.10 CC1Cc2c(O1)cccc2 1P00209S [0,0,1,1,0,0|1,0,0]=3 2483 B11R2.10 C[C@@H]1Cc2c(N1)cccc2 1P00BJBQ [0,0,1,1,0,0|0,0,0]=2 2484 B11R2.10 C[C@H]1Cc2c(N1)cccc2 1P0070A1 [0,0,1,1,0,0|0,0,0]=2 2485 B11R2.10 Cc1cc2c([nH]1)cccc2 1P003I67 [0,0,1,1,0,0|0,0,2]=4 2486 B11R2.10 Cc1nc2c([nH]1)cccc2 1P003I5B [0,0,1,1,0,0|1,0,1]=4 2487 B11R2.10 IC1Cc2c(C1)cccc2 1P00BJI6 [0,0,1,1,0,0|1,0,0]=3 2488 B11R2.10 NC1Cc2c(C1)cccc2 1P002NHZ [0,0,1,1,0,0|0,0,0]=2 2489 B11R2.10 NC1Cc2c(C1)cccc2 1P002ZR8 [0,0,1,1,0,0|0,0,0]=2 2490 B11R2.10 NC1Cc2c(C1)cccn2 1P01EIL9 [0,0,1,1,0,0|1,0,0]=3 2491 B11R2.10 NC1Cc2c(C1)ccnc2 1P01C2HM [0,0,1,1,0,0|1,0,0]=3 2492 B11R2.10 NC1Cc2c(C1)nccn2 1P0285HC [0,0,1,1,0,0|2,0,0]=4 2493 B11R2.10 NN1Cc2c(C1)cccc2 1P00DIHZ [0,0,1,1,0,0|1,0,0]=3 2494 B11R2.10 O=C1Cc2c(C1)cccc2 1P003HWU [0,0,1,1,0,0|1,0,1]=4 2495 B11R2.10 O=C1Cc2c(N1)cccc2 1P003RGZ [0,0,1,1,0,0|1,0,1]=4 2496 B11R2.10 OC1Cc2c(C1)cccc2 1P00I8P0 [0,0,1,1,0,0|1,0,0]=3 2497 B11R2.10 S=C1Cc2c(N1)cccc2 1P00DAOH [0,0,1,1,0,0|1,0,1]=4 2498 B11R2.10 SC1Cc2c(C1)cccc2 1P01ALGM [0,0,1,1,0,0|1,0,0]=3 2499 B11R2.59 CC1(N)Cc2c1cccc2 1P01B2EM [0,0,1,1,0,0|0,0,0]=2 2500 B13R3.1970 c1ccc2c(c1)CN3[C@@H](C2)C3 1P0285EZ [0,0,0,1,0,1|2,0,0]=4 2501 B13R3.1970 c1ccc2c(c1)CN3[C@H](C2)C3 1P0285JZ [0,0,0,1,0,1|2,0,0]=4 2502 B13R3.25 c1ccc2c(c1)[C@@H]3NC[C@@H]3C2 1P027ZOJ [0,0,0,1,0,1|1,0,0]=3 2503 B13R3.28 c1ccc2c(c1)C3OC3CC2 1P002P7X [0,1,0,1,0,0|2,0,0]=4 2504 B13R3.213 Clc1ccc2c(c1)C3OC3C2 1P000D7P [0,1,0,1,0,0|2,0,0]=4 2505 B9R1.11 NCC(c1ccco1)O 1P00C1QL [0,0,1,0,1,0|2,0,0]=4 2506 B9R1.11 NCC(c1cccs1)C 1P01AKCV [0,0,1,0,1,0|1,0,0]=3 2507 B9R1.11 NCC(c1cccs1)O 1P01AIA5 [0,0,1,0,1,0|2,0,0]=4 2508 B9R1.11 NCC(c1cocc1)O 1P028IXV [0,0,1,0,1,0|2,0,0]=4 2509 B9R1.11 NCC(c1cscc1)C 1P019TLO [0,0,1,0,1,0|1,0,0]=3 2510 B9R1.11 NCC(c1cscc1)C 1P01RJKJ [0,0,1,0,1,0|1,0,0]=3 2511 B9R1.11 NCC(c1cscc1)O 1P009215 [0,0,1,0,1,0|2,0,0]=4 2512 B9R1.11 NCC(c1ncc[nH]1)C 1P01DXBZ [0,0,1,0,1,0|2,0,0]=4 2513 B9R1.11 NCC(c1nccs1)C 1P01A7JT [0,0,1,0,1,0|2,0,0]=4 2514 B9R1.11 NCC(n1cccn1)C 1P000EF5 [0,0,1,0,1,0|2,0,0]=4 2515 B9R1.12 BrCCCc1cccs1 1P01BL7U [0,0,1,0,1,0|2,0,0]=4 2516 B9R1.12 BrCCCc1cocc1 1P01BL8R [0,0,1,0,1,0|2,0,0]=4 2517 B9R1.12 BrCCCc1cscc1 1P01A6PE [0,0,1,0,1,0|2,0,0]=4 2518 B9R1.12 BrCCCn1cccc1 1P0003AU [0,0,1,0,1,0|2,0,0]=4 2519 B9R1.12 CCCCc1ccco1 1P003HAJ [0,0,1,0,1,0|2,0,0]=4 2520 B9R1.12 CCCCc1cccs1 1P001DL3 [0,0,1,0,1,0|2,0,0]=4 2521 B9R1.12 CCCCc1cscc1 1P003JMD [0,0,1,0,1,0|2,0,0]=4 2522 B9R1.12 FCCCn1cccc1 1P028IU2 [0,0,1,0,1,0|2,0,0]=4 2523 B9R1.12 ICCCc1cccs1 1P01FSKP [0,0,1,0,1,0|2,0,0]=4 2524 B9R1.12 NCCCc1c[nH]nc1 1P002LC8 [0,0,1,0,1,0|2,0,0]=4 2525 B9R1.12 NCCCc1c[nH]nc1 1P01EIHT [0,0,1,0,1,0|2,0,0]=4 2526 B9R1.12 NCCCc1cc[nH]n1 1P01B1PA [0,0,1,0,1,0|2,0,0]=4 2527 B9R1.12 NCCCc1ccco1 1P00DD6T [0,0,1,0,1,0|1,0,0]=3 2528 B9R1.12 NCCCc1cccs1 1P00ELTB [0,0,1,0,1,0|1,0,0]=3 2529 B9R1.12 NCCCc1cocn1 1P01DWF0 [0,0,1,0,1,0|2,0,0]=4 2530 B9R1.12 NCCCc1conc1 1P01FJWN [0,0,1,0,1,0|2,0,0]=4 2531 B9R1.12 NCCCc1cscc1 1P01ABDM [0,0,1,0,1,0|1,0,0]=3 2532 B9R1.12 NCCCc1nc[nH]c1 1P00CMFZ [0,0,1,0,1,0|2,0,0]=4 2533 B9R1.12 NCCCc1ncc[nH]1 1P00I72Q [0,0,1,0,1,0|2,0,0]=4 2534 B9R1.12 NCCCc1ncco1 1P028613 [0,0,1,0,1,0|2,0,0]=4 2535 B9R1.12 NCCCc1nccs1 1P00EELN [0,0,1,0,1,0|2,0,0]=4 2536 B9R1.12 NCCCc1nccs1 1P00J3SR [0,0,1,0,1,0|2,0,0]=4 2537 B9R1.12 NCCCn1cccc1 1P00EEGJ [0,0,1,0,1,0|1,0,0]=3 2538 B9R1.12 NCCCn1cccn1 1P005JEZ [0,0,1,0,1,0|2,0,0]=4 2539 B9R1.12 NCCCn1cccn1 1P00J1KO [0,0,1,0,1,0|2,0,0]=4 2540 B9R1.12 NCCCn1cncc1 1P0035R2 [0,0,1,0,1,0|2,0,0]=4 2541 B9R1.12 NCCOc1cscc1 1P0280CL [0,0,1,0,1,0|2,0,0]=4 2542 B9R1.12 OCCCc1ccco1 1P01A4WN [0,0,1,0,1,0|2,0,0]=4 2543 B9R1.12 OCCCc1cccs1 1P003II9 [0,0,1,0,1,0|2,0,0]=4 2544 B9R1.12 OCCCc1cocc1 1P01BIE2 [0,0,1,0,1,0|2,0,0]=4 2545 B9R1.12 OCCCc1cscc1 1P003IJE [0,0,1,0,1,0|2,0,0]=4 2546 B9R1.12 OCCCn1cccc1 1P003DDX [0,0,1,0,1,0|2,0,0]=4 2547 B9R1.12 SCCCc1cocc1 1P028TXM [0,0,1,0,1,0|2,0,0]=4 2548 B9R1.13 CC(Cc1c[nH]cc1)N 1P01DVNP [0,0,1,0,1,0|1,0,0]=3 2549 B9R1.13 CC(Cc1c[nH]nc1)N 1P0281LL [0,0,1,0,1,0|2,0,0]=4 2550 B9R1.13 CC(Cc1cc[nH]n1)N 1P01FJWX [0,0,1,0,1,0|2,0,0]=4 2551 B9R1.13 CC(Cc1ccco1)N 1P00EAVK [0,0,1,0,1,0|1,0,0]=3 2552 B9R1.13 CC(Cc1ccco1)O 1P003O8Y [0,0,1,0,1,0|2,0,0]=4 2553 B9R1.13 CC(Cc1cccs1)C 1P00CB7B [0,0,1,0,1,0|2,0,0]=4 2554 B9R1.13 CC(Cc1cccs1)N 1P01AAV0 [0,0,1,0,1,0|1,0,0]=3 2555 B9R1.13 CC(Cc1cocc1)N 1P019ZJ8 [0,0,1,0,1,0|1,0,0]=3 2556 B9R1.13 CC(Cc1cscc1)N 1P00IEEW [0,0,1,0,1,0|1,0,0]=3 2557 B9R1.13 CC(Cc1cscc1)N 1P019WY2 [0,0,1,0,1,0|1,0,0]=3 2558 B9R1.13 CC(Cc1cscc1)O 1P01A4LR [0,0,1,0,1,0|2,0,0]=4 2559 B9R1.13 CC(Cc1nc[nH]c1)N 1P00D351 [0,0,1,0,1,0|2,0,0]=4 2560 B9R1.13 CC(Cn1cncc1)N 1P0065TX [0,0,1,0,1,0|2,0,0]=4 2561 B9R1.13 CC(Cn1cncc1)N 1P0099YG [0,0,1,0,1,0|2,0,0]=4 2562 B9R1.13 C[C@@H](Cc1cscc1)N 1P023NMT [0,0,1,0,1,0|1,0,0]=3 2563 B9R1.13 C[C@@H](Cc1cscc1)O 1P001IXV [0,0,1,0,1,0|2,0,0]=4 2564 B9R1.13 C[C@H](Cc1cscc1)N 1P01PIYF [0,0,1,0,1,0|1,0,0]=3 2565 B9R1.13 C[C@H](Cc1cscc1)O 1P028WK6 [0,0,1,0,1,0|2,0,0]=4 2566 B9R1.13 C[C@H](Cc1nc[nH]c1)N 1P005JYD [0,0,1,0,1,0|2,0,0]=4 2567 B9R1.13 C[C@H](Cc1ncco1)N 1P0280J9 [0,0,1,0,1,0|2,0,0]=4 2568 B9R2.2 C1CC1c2[nH]cnc2 1P00IGAT [1,0,0,0,1,0|2,0,0]=4 2569 B9R2.2 C1CC1c2cc[nH]n2 1P0001GU [1,0,0,0,1,0|2,0,0]=4 2570 B9R2.2 C1CC1c2ccn[nH]2 1P003N6C [1,0,0,0,1,0|2,0,0]=4 2571 B9R2.2 C1CC1c2ncoc2 1P01B5RR [1,0,0,0,1,0|2,0,0]=4 2572 B9R2.2 C1CC1c2ncsc2 1P003LQO [1,0,0,0,1,0|2,0,0]=4 2573 B9R2.2 C1CC1c2ocnc2 1P01B6Z7 [1,0,0,0,1,0|2,0,0]=4 2574 B9R2.2 C1CC1c2scnc2 1P027TX6 [1,0,0,0,1,0|2,0,0]=4 2575 B9R2.2 c1cnc([nH]1)C2CC2 1P0033QT [1,0,0,0,1,0|2,0,0]=4 2576 B9R2.2 c1cnn(c1)C2CC2 1P000GUI [1,0,0,0,1,0|2,0,0]=4 2577 B9R2.2 c1cnn(c1)C2CC2 1P027YLP [1,0,0,0,1,0|2,0,0]=4 2578 B9R2.2 c1coc(c1)C2CC2 1P01C3DJ [1,0,0,0,1,0|1,0,0]=3 2579 B9R2.2 c1coc(n1)C2CC2 1P01BWAC [1,0,0,0,1,0|2,0,0]=4 2580 B9R2.2 c1csc(c1)C2CC2 1P002YYV [1,0,0,0,1,0|1,0,0]=3 2581 B9R2.2 c1csc(n1)C2CC2 1P01B691 [1,0,0,0,1,0|2,0,0]=4 2582 B9R2.2 c1ncn(c1)C2CC2 1P009X4A [1,0,0,0,1,0|2,0,0]=4 2583 B9R2.2 c1occ(c1)C2CC2 1P01DW54 [1,0,0,0,1,0|1,0,0]=3 2584 B9R2.2 c1scc(c1)C2CC2 1P01DWRY [1,0,0,0,1,0|1,0,0]=3 2585 B9R2.2 c1scc(c1)C2CO2 1P005LY2 [1,0,0,0,1,0|2,0,0]=4 2586 B9R2.2 n1[nH]cc(c1)C2CC2 1P01BHZB [1,0,0,0,1,0|2,0,0]=4 2587 B11R2.11 NC1CC(C1)c2ncc[nH]2 1P01FK6G [0,0,0,0,1,1|2,0,0]=4 2588 B11R2.11 NC1CC(C1)n2cccn2 1P028LWH [0,0,0,0,1,1|2,0,0]=4 2589 B11R2.11 NC1CC(C1)n2cncc2 1P028MHS [0,0,0,0,1,1|2,0,0]=4 2590 B11R2.11 N[C@@H]1C[C@@H](C1)c2ccon2 1P028KUE [0,0,0,0,1,1|2,0,0]=4 2591 B11R2.11 N[C@@H]1C[C@@H](C1)c2ncc[nH]2 1P01EK2K [0,0,0,0,1,1|2,0,0]=4 2592 B11R2.11 N[C@@H]1C[C@@H](C1)n2cccn2 1P027TT1 [0,0,0,0,1,1|2,0,0]=4 2593 B11R2.11 N[C@@H]1C[C@H](C1)c2ccon2 1P028XIN [0,0,0,0,1,1|2,0,0]=4 2594 B11R2.11 N[C@@H]1C[C@H](C1)c2ncc[nH]2 1P028H04 [0,0,0,0,1,1|2,0,0]=4 2595 B11R2.11 N[C@@H]1C[C@H](C1)n2cccn2 1P02871R [0,0,0,0,1,1|2,0,0]=4 2596 B11R2.11 N[C@@H]1C[C@H](C1)n2cncc2 1P028M8X [0,0,0,0,1,1|2,0,0]=4 2597 B13R2.27 NC1COC1Cc2ccccc2 1P02874Z [0,0,0,0,0,2|0,0,0]=2 2598 B13R2.27 N[C@@H]1CC[C@@H]1Cc2ccccc2 1P028EH2 [0,0,0,0,0,2|0,0,0]=2 2599 B13R2.27 O=C1CCC1Cc2ccccc2 1P028O13 [0,0,0,0,0,2|1,0,1]=4 2600 B13R2.27 O=C1COC1Cc2ccccc2 1P028O94 [0,0,0,0,0,2|1,0,1]=4 2601 B13R2.31 Br[C@@H]1C[C@@H](C1)Oc2ccccc2 1P01BVO5 [0,0,0,0,0,2|1,0,0]=3 2602 B13R2.31 Br[C@@H]1C[C@H](C1)Cc2ccccc2 1P027ZYF [0,0,0,0,0,2|1,0,0]=3 2603 B13R2.31 NC1CC(C1)Cc2ccccc2 1P027OVW [0,0,0,0,0,2|0,0,0]=2 2604 B13R2.31 NC1CN(C1)Cc2ccccc2 1P000VDV [0,0,0,0,0,2|1,0,0]=3 2605 B13R2.31 NC1CN(C1)Cc2ccccc2 1P007PBP [0,0,0,0,0,2|1,0,0]=3 2606 B13R2.31 N[C@@H]1C[C@@H](C1)Cc2ccccc2 1P027V9P [0,0,0,0,0,2|0,0,0]=2 2607 B13R2.31 N[C@@H]1C[C@@H](C1)Oc2ccccc2 1P01B354 [0,0,0,0,0,2|0,0,0]=2 2608 B13R2.31 N[C@@H]1C[C@@H](C1)Oc2ccncc2 1P027UMN [0,0,0,0,0,2|1,0,0]=3 2609 B13R2.31 N[C@@H]1C[C@@H](C1)Oc2ncccn2 1P01BA92 [0,0,0,0,0,2|2,0,0]=4 2610 B13R2.31 N[C@@H]1C[C@H](C1)Cc2ccccc2 1P0290XJ [0,0,0,0,0,2|0,0,0]=2 2611 B13R2.31 N[C@@H]1C[C@H](C1)Oc2ccccc2 1P01B5UX [0,0,0,0,0,2|0,0,0]=2 2612 B13R2.31 N[C@@H]1C[C@H](C1)Sc2ccccc2 1P01BS16 [0,0,0,0,0,2|0,0,0]=2 2613 B13R2.31 O=C1CC(C1)Oc2ccccc2 1P00ICGI [0,0,0,0,0,2|1,0,1]=4 2614 B13R2.31 O=C1CC(C1)Sc2ccccc2 1P01BXX6 [0,0,0,0,0,2|1,0,1]=4 2615 B13R2.31 O=C1CC(N1)Cc2ccccc2 1P00GAKO [0,0,0,0,0,2|1,0,1]=4 2616 B13R2.31 OC1CC(C1)Cc2ccccc2 1P002BFN [0,0,0,0,0,2|1,0,0]=3 2617 B13R2.31 OC1CN(C1)Cc2ccccc2 1P003EGY [0,0,0,0,0,2|2,0,0]=4 2618 B13R2.31 O[C@@H]1C[C@@H](C1)Cc2ccccc2 1P02901T [0,0,0,0,0,2|1,0,0]=3 2619 B13R2.31 O[C@@H]1C[C@@H](C1)Sc2ccccc2 1P01C0KN [0,0,0,0,0,2|1,0,0]=3 2620 B13R2.31 O[C@@H]1C[C@H](C1)Cc2ccccc2 1P027XTE [0,0,0,0,0,2|1,0,0]=3 2621 B13R2.31 O[C@@H]1C[C@H](C1)Oc2ccccc2 1P01B320 [0,0,0,0,0,2|1,0,0]=3 2622 B13R2.31 SC1CC(C1)Cc2ccccc2 1P027W46 [0,0,0,0,0,2|1,0,0]=3 2623 B13R2.31 S[C@@H]1C[C@H](C1)Cc2ccccc2 1P027VWH [0,0,0,0,0,2|1,0,0]=3 2624 B13R2.10 BrC1=NOC(C1)c2ccccc2 1P004SIO [0,0,0,0,0,2|1,0,1]=4 2625 B13R2.10 CC1CN=C(C1)c2ccccc2 1P028DJW [0,0,0,0,0,2|1,0,1]=4 2626 B13R2.10 CC1CNC(C1)c2ccccc2 1P01BAOI [0,0,0,0,0,2|1,0,0]=3 2627 B13R2.10 CC1CNC(C1)c2cccnc2 1P00F8AO [0,0,0,0,0,2|2,0,0]=4 2628 B13R2.10 CC1COC(O1)c2ccccc2 1P00I5D9 [0,0,0,0,0,2|1,0,0]=3 2629 B13R2.10 CC1NCC(C1)c2ccccc2 1P005YSV [0,0,0,0,0,2|1,0,0]=3 2630 B13R2.10 C[C@H]1CCC(N1)c2ccccc2 1P00IL8R [0,0,0,0,0,2|1,0,0]=3 2631 B13R2.10 FC1CNC(C1)c2ccccc2 1P028IOR [0,0,0,0,0,2|1,0,0]=3 2632 B13R2.10 NC1=NN(CC1)c2ccccc2 1P003JBS [0,0,0,0,0,2|1,0,1]=4 2633 B13R2.10 NC1CCN(C1)c2ccccc2 1P0075EJ [0,0,0,0,0,2|1,0,0]=3 2634 B13R2.10 NC1CCN(C1)c2ccccn2 1P00E713 [0,0,0,0,0,2|2,0,0]=4 2635 B13R2.10 NC1CCN(C1)c2ccccn2 1P02886B [0,0,0,0,0,2|2,0,0]=4 2636 B13R2.10 NC1CCN(C1)c2cccnc2 1P018P3E [0,0,0,0,0,2|2,0,0]=4 2637 B13R2.10 NC1CCN(C1)c2ccncc2 1P024MV1 [0,0,0,0,0,2|2,0,0]=4 2638 B13R2.10 NC1COC(C1)c2ccccc2 1P028IWX [0,0,0,0,0,2|0,0,0]=2 2639 B13R2.10 N[C@@H]1CCN(C1)c2ccccn2 1P02934Y [0,0,0,0,0,2|2,0,0]=4 2640 B13R2.10 N[C@@H]1CC[C@@H](C1)c2ccccc2 1P01C2M4 [0,0,0,0,0,2|0,0,0]=2 2641 B13R2.10 N[C@H]1CCN(C1)c2ccccc2 1P01ALSS [0,0,0,0,0,2|1,0,0]=3 2642 B13R2.10 N[C@H]1CCN(C1)c2ccccc2 1P01C52J [0,0,0,0,0,2|1,0,0]=3 2643 B13R2.10 N[C@H]1CCN(C1)c2ccccn2 1P01PLYB [0,0,0,0,0,2|2,0,0]=4 2644 B13R2.10 O=C1CCC(C1)c2ccccc2 1P003A7Y [0,0,0,0,0,2|1,0,1]=4 2645 B13R2.10 O=C1CCC(N1)c2ccccc2 1P00BGKA [0,0,0,0,0,2|1,0,1]=4 2646 B13R2.10 O=C1CCC(O1)c2ccccc2 1P003R7A [0,0,0,0,0,2|1,0,1]=4 2647 B13R2.10 O=C1CC[C@@H](N1)c2ccccc2 1P0202GN [0,0,0,0,0,2|1,0,1]=4 2648 B13R2.10 O=C1CC[C@H](N1)c2ccccc2 1P01JUX4 [0,0,0,0,0,2|1,0,1]=4 2649 B13R2.10 O=C1COC(C1)c2ccccc2 1P027Y9B [0,0,0,0,0,2|1,0,1]=4 2650 B13R2.10 O=C1NCC(C1)c2ccccc2 1P000Q57 [0,0,0,0,0,2|1,0,1]=4 2651 B13R2.10 O=C1NCC(N1)c2ccccc2 1P00C3FD [0,0,0,0,0,2|1,0,1]=4 2652 B13R2.10 O=C1NCC(O1)c2ccccc2 1P00G49F [0,0,0,0,0,2|1,0,1]=4 2653 B13R2.10 O=C1NC[C@@H](C1)c2ccccc2 1P00IBIN [0,0,0,0,0,2|1,0,1]=4 2654 B13R2.10 O=C1NC[C@@H](O1)c2ccccc2 1P0285H0 [0,0,0,0,0,2|1,0,1]=4 2655 B13R2.10 O=C1NC[C@H](O1)c2ccccc2 1P01DUKE [0,0,0,0,0,2|1,0,1]=4 2656 B13R2.10 O=C1NNC(C1)c2ccccc2 1P000UXZ [0,0,0,0,0,2|1,0,1]=4 2657 B13R2.10 O=C1OCC(C1)c2ccccc2 1P009OKM [0,0,0,0,0,2|1,0,1]=4 2658 B13R2.10 O=C1OCC(N1)c2ccccc2 1P005HEV [0,0,0,0,0,2|1,0,1]=4 2659 B13R2.10 O=C1OCC(O1)c2ccccc2 1P00DE85 [0,0,0,0,0,2|1,0,1]=4 2660 B13R2.10 O=C1OC[C@@H](N1)c2ccccc2 1P0032WS [0,0,0,0,0,2|1,0,1]=4 2661 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 1P0032UC [0,0,0,0,0,2|1,0,1]=4 2662 B13R2.10 O=C1SCC(N1)c2ccccc2 1P00IBPF [0,0,0,0,0,2|1,0,1]=4 2663 B13R2.10 OC1CCC(C1)c2ccccc2 1P006WTX [0,0,0,0,0,2|1,0,0]=3 2664 B13R2.10 OC1CCN(C1)c2ccccc2 1P00JPV4 [0,0,0,0,0,2|2,0,0]=4 2665 B13R2.10 OC1CNC(C1)c2ccccc2 1P01C3AQ [0,0,0,0,0,2|1,0,0]=3 2666 B13R2.10 OC1COC(C1)c2ccccc2 1P01A012 [0,0,0,0,0,2|1,0,0]=3 2667 B13R2.10 O[C@@H]1CN[C@@H](C1)c2ccccc2 1P0293TQ [0,0,0,0,0,2|1,0,0]=3 2668 B13R2.10 O[C@@H]1CN[C@H](C1)c2ccccc2 1P028A32 [0,0,0,0,0,2|1,0,0]=3 2669 B13R2.10 S=C1OC[C@@H](N1)c2ccccc2 1P002FF7 [0,0,0,0,0,2|1,0,1]=4 2670 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 1P003CR3 [0,0,0,0,0,2|1,0,1]=4 2671 B13R2.10 S=C1SC[C@@H](N1)c2ccccc2 1P00I1ZZ [0,0,0,0,0,2|1,0,1]=4 2672 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 1P008SVY [0,0,0,0,0,2|1,0,1]=4 2673 B13R2.15 CC1CCNC1c2ccccc2 1P00DKMF [0,0,0,0,0,2|1,0,0]=3 2674 B13R2.15 CC1NCCC1c2ccccc2 1P019Z72 [0,0,0,0,0,2|1,0,0]=3 2675 B13R2.15 F[C@@H]1CNC[C@@H]1c2ccccc2 1P0290HM [0,0,0,0,0,2|1,0,0]=3 2676 B13R2.15 N=C1NCCC1c2ccccc2 1P028RW1 [0,0,0,0,0,2|0,0,2]=4 2677 B13R2.15 NC1CCCC1c2ccccc2 1P00DIJB [0,0,0,0,0,2|0,0,0]=2 2678 B13R2.15 NC1CCCC1c2ccccc2 1P00FHC3 [0,0,0,0,0,2|0,0,0]=2 2679 B13R2.15 N[C@@H]1CCC[C@@H]1c2ccccc2 1P01C0RM [0,0,0,0,0,2|0,0,0]=2 2680 B13R2.15 N[C@@H]1CCO[C@H]1c2ccccc2 1P01BZ2R [0,0,0,0,0,2|0,0,0]=2 2681 B13R2.15 N[C@@H]1CNC[C@H]1c2ccccc2 1P028DIT [0,0,0,0,0,2|0,0,0]=2 2682 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P00748U [0,0,0,0,0,2|0,0,0]=2 2683 B13R2.15 N[C@H]1CCC[C@H]1c2ccccc2 1P028LSU [0,0,0,0,0,2|0,0,0]=2 2684 B13R2.15 O=C1CCCC1c2ccccc2 1P009RKK [0,0,0,0,0,2|1,0,1]=4 2685 B13R2.15 O=C1CCNC1c2ccccc2 1P01EKCL [0,0,0,0,0,2|1,0,1]=4 2686 B13R2.15 O=C1COCC1c2ccccc2 1P01B7OI [0,0,0,0,0,2|1,0,1]=4 2687 B13R2.15 O=C1NCCC1c2ccccc2 1P0064IE [0,0,0,0,0,2|1,0,1]=4 2688 B13R2.15 O=C1OCCC1c2ccccc2 1P00FR8Y [0,0,0,0,0,2|1,0,1]=4 2689 B13R2.15 OC1CCCC1c2ccccc2 1P01AIU1 [0,0,0,0,0,2|1,0,0]=3 2690 B13R2.15 OC1COCC1c2ccccc2 1P01DL7W [0,0,0,0,0,2|1,0,0]=3 2691 B13R2.15 O[C@@H]1CCC[C@H]1c2ccccn2 1P01AM0E [0,0,0,0,0,2|2,0,0]=4 2692 B13R2.15 O[C@@H]1CCN[C@@H]1c2ccccc2 1P028ROY [0,0,0,0,0,2|1,0,0]=3 2693 B13R2.15 O[C@@H]1CNC[C@H]1c2ccccc2 1P027SDW [0,0,0,0,0,2|1,0,0]=3 2694 B13R2.15 O[C@@H]1COC[C@@H]1c2ccccc2 1P027UDY [0,0,0,0,0,2|1,0,0]=3 2695 B13R2.15 O[C@@H]1COC[C@H]1c2ccccc2 1P0289P9 [0,0,0,0,0,2|1,0,0]=3 2696 B13R2.15 O[C@H]1CCC[C@@H]1c2ccccc2 1P028OP4 [0,0,0,0,0,2|1,0,0]=3 2697 B13R2.15 O[C@H]1CNC[C@@H]1c2ccccc2 1P000M5F [0,0,0,0,0,2|1,0,0]=3